*HEADER    TRANSFERASE                             28-NOV-05   2F63              
*TITLE     SOLUTION STRUCTURE OF HPPK IN COMPLEX WITH INHIBITOR                  
*TITLE    2 ANALOGS AMPCPP AND HP-1                                              
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: 2-AMINO-4-HYDROXY-6-                                       
*COMPND   3 HYDROXYMETHYLDIHYDROPTERIDINE PYROPHOSPHOKINASE;                     
*COMPND   4 CHAIN: A;                                                            
*COMPND   5 SYNONYM: 7,8-DIHYDRO-6-HYDROXYMETHYLPTERIN-                          
*COMPND   6 PYROPHOSPHOKINASE, HPPK, 6-HYDROXYMETHYL-7,8-DIHYDROPTERIN           
*COMPND   7 PYROPHOSPHOKINASE, PPPK;                                             
*COMPND   8 EC: 2.7.6.3;                                                         
*COMPND   9 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI;                               
*SOURCE   3 ORGANISM_COMMON: BACTERIA;                                           
*SOURCE   4 GENE: FOLK;                                                          
*SOURCE   5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   6 EXPRESSION_SYSTEM_COMMON: BACTERIA;                                  
*SOURCE   7 EXPRESSION_SYSTEM_STRAIN: BL21(DE3);                                 
*SOURCE   8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE   9 EXPRESSION_SYSTEM_PLASMID: PET17B                                    
*KEYWDS    ALPHA-BETA-ALPHA FOLD                                                 
*EXPDTA    NMR, 21 STRUCTURES                                                    
*AUTHOR    H.YAN, G.LI                                                           
*REVDAT   1   17-JAN-06 2F63    0                                                


 ASSI {    5}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 3    and name HA  ))
      3.200     1.300     1.300 peak     5 spectrum    1 weight  0.10000E+01 volume  0.40477E-02 ppm1      9.234 ppm2      4.963 CV     1
 ASSI {    6}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 61   and name HA  ))
      3.200     1.300     1.300 peak     6 spectrum    1 weight  0.10000E+01 volume  0.13520E-01 ppm1      9.234 ppm2      4.747 CV     1
 ASSI {    7}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 2    and name HA  ))
      2.200     0.600     0.600 peak     7 spectrum    1 weight  0.10000E+01 volume  0.28753E-01 ppm1      9.234 ppm2      4.216 CV     1
 ASSI {   13}
   (( segid "    " and resid 3    and name HN  ))
   (  segid "    " and resid 2    and name HG2%)
      3.700     1.700     1.700 peak    13 spectrum    1 weight  0.10000E+01 volume  0.15028E-01 ppm1      9.234 ppm2      0.128 CV     1
 ASSI {   17}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 99   and name HN  ))
      4.400     2.400     1.600 peak    17 spectrum    1 weight  0.10000E+01 volume  0.25209E-02 ppm1      9.996 ppm2      9.591 CV     1
 ASSI {   20}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 5    and name HA  ))
      2.400     0.700     0.700 peak    20 spectrum    1 weight  0.10000E+01 volume  0.16391E-01 ppm1      9.997 ppm2      4.872 CV     1
 ASSI {   21}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 98   and name HA  ))
      4.100     2.100     1.900 peak    21 spectrum    1 weight  0.10000E+01 volume  0.41873E-02 ppm1      9.996 ppm2      4.173 CV     1
 ASSI {   22}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 99   and name HG1 ))
      3.800     1.800     1.800 peak    22 spectrum    1 weight  0.10000E+01 volume  0.40175E-02 ppm1      9.996 ppm2      2.675 CV     1
 ASSI {   23}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 97   and name HB2 ))
      6.000     6.000     0.000 peak    23 spectrum    1 weight  0.10000E+01 volume  0.14642E-03 ppm1      9.996 ppm2      2.548 CV     1
 ASSI {   28}
   (( segid "    " and resid 6    and name HN  ))
   (  segid "    " and resid 5    and name HG2%)
      2.300     0.700     0.700 peak    28 spectrum    1 weight  0.10000E+01 volume  0.16051E-01 ppm1      9.997 ppm2      0.847 CV     1
 ASSI {   30}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 50   and name HE22))
      3.000     1.100     1.100 peak    30 spectrum    1 weight  0.10000E+01 volume  0.92223E-02 ppm1      9.418 ppm2      7.106 CV     1
 ASSI {   31}
   (( segid "    " and resid 45   and name HN  ))
   (  segid "    " and resid 53   and name HD% )
      4.100     2.100     1.900 peak    31 spectrum    1 weight  0.10000E+01 volume  0.67788E-02 ppm1      9.417 ppm2      6.574 CV     1
 ASSI {   33}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 45   and name HA  ))
      3.300     1.300     1.300 peak    33 spectrum    1 weight  0.10000E+01 volume  0.44477E-02 ppm1      9.416 ppm2      4.569 CV     1
 ASSI {   34}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 44   and name HA  ))
      3.200     1.300     1.300 peak    34 spectrum    1 weight  0.10000E+01 volume  0.76337E-02 ppm1      9.420 ppm2      4.198 CV     1
 ASSI {   35}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 44   and name HB2 ))
      3.300     1.300     1.300 peak    35 spectrum    1 weight  0.10000E+01 volume  0.40362E-02 ppm1      9.419 ppm2      1.924 CV     1
 OR {   35}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 44   and name HB1 ))
 ASSI {   36}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 45   and name HB2 ))
      3.100     1.200     1.200 peak    36 spectrum    1 weight  0.10000E+01 volume  0.11515E-01 ppm1      9.416 ppm2      1.595 CV     1
 OR {   36}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 45   and name HB1 ))
 ASSI {   37}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 45   and name HG  ))
      4.800     2.800     1.200 peak    37 spectrum    1 weight  0.10000E+01 volume  0.18254E-02 ppm1      9.418 ppm2      1.351 CV     1
 ASSI {   38}
   (( segid "    " and resid 45   and name HN  ))
   (  segid "    " and resid 45   and name HD1%)
      4.700     2.800     1.300 peak    38 spectrum    1 weight  0.10000E+01 volume  0.27950E-02 ppm1      9.417 ppm2      0.824 CV     1
 ASSI {   40}
   (( segid "    " and resid 45   and name HN  ))
   (  segid "    " and resid 45   and name HD2%)
      4.500     2.500     1.500 peak    40 spectrum    1 weight  0.10000E+01 volume  0.26699E-02 ppm1      9.412 ppm2      1.055 CV     1
 ASSI {   43}
   (( segid "    " and resid 96   and name HN  ))
   (( segid "    " and resid 96   and name HB2 ))
      4.100     2.200     1.900 peak    43 spectrum    1 weight  0.10000E+01 volume  0.37272E-02 ppm1     10.616 ppm2      2.177 CV     1
 ASSI {   44}
   (( segid "    " and resid 96   and name HN  ))
   (( segid "    " and resid 77   and name HG1 ))
      3.500     1.500     1.500 peak    44 spectrum    1 weight  0.10000E+01 volume  0.25667E-02 ppm1     10.617 ppm2      1.953 CV     1
 ASSI {   45}
   (( segid "    " and resid 96   and name HN  ))
   (( segid "    " and resid 96   and name HG  ))
      3.400     1.500     1.500 peak    45 spectrum    1 weight  0.10000E+01 volume  0.30450E-02 ppm1     10.617 ppm2      1.623 CV     1
 ASSI {   47}
   (( segid "    " and resid 96   and name HN  ))
   (( segid "    " and resid 96   and name HB1 ))
      2.600     0.900     0.900 peak    47 spectrum    1 weight  0.10000E+01 volume  0.78457E-02 ppm1     10.613 ppm2      0.949 CV     1
 ASSI {   51}
   (( segid "    " and resid 106  and name HN  ))
   (( segid "    " and resid 107  and name HN  ))
      4.100     2.100     1.900 peak    51 spectrum    1 weight  0.10000E+01 volume  0.37137E-02 ppm1      9.385 ppm2      9.217 CV     1
 ASSI {   52}
   (( segid "    " and resid 106  and name HN  ))
   (( segid "    " and resid 105  and name HA  ))
      2.300     0.700     0.700 peak    52 spectrum    1 weight  0.10000E+01 volume  0.19031E-01 ppm1      9.384 ppm2      4.649 CV     1
 ASSI {   54}
   (( segid "    " and resid 106  and name HN  ))
   (( segid "    " and resid 114  and name HD2 ))
      6.000     5.200     0.000 peak    54 spectrum    1 weight  0.10000E+01 volume  0.86370E-03 ppm1      9.387 ppm2      3.667 CV     1
 ASSI {   55}
   (( segid "    " and resid 106  and name HN  ))
   (  segid "    " and resid 105  and name HG1%)
      3.300     1.300     1.300 peak    55 spectrum    1 weight  0.10000E+01 volume  0.23541E-01 ppm1      9.387 ppm2      1.038 CV     1
 OR {   55}
   (( segid "    " and resid 106  and name HN  ))
   (  segid "    " and resid 105  and name HG2%)
 ASSI {   56}
   (( segid "    " and resid 106  and name HN  ))
   (  segid "    " and resid 106  and name HD1%)
      4.000     2.000     2.000 peak    56 spectrum    1 weight  0.10000E+01 volume  0.31831E-02 ppm1      9.382 ppm2      0.646 CV     1
 ASSI {   57}
   (( segid "    " and resid 106  and name HN  ))
   (( segid "    " and resid 112  and name HA  ))
      5.200     3.400     0.800 peak    57 spectrum    1 weight  0.10000E+01 volume  0.14418E-02 ppm1      9.388 ppm2      5.244 CV     1
 ASSI {   60}
   (( segid "    " and resid 106  and name HN  ))
   (( segid "    " and resid 67   and name HB1 ))
      4.600     2.600     1.400 peak    60 spectrum    1 weight  0.10000E+01 volume  0.17845E-02 ppm1      9.382 ppm2      1.850 CV     1
 OR {   60}
   (( segid "    " and resid 106  and name HN  ))
   (( segid "    " and resid 67   and name HB2 ))
 ASSI {   61}
   (( segid "    " and resid 106  and name HN  ))
   (( segid "    " and resid 106  and name HB  ))
      2.900     1.100     1.100 peak    61 spectrum    1 weight  0.10000E+01 volume  0.10003E-01 ppm1      9.385 ppm2      1.442 CV     1
 ASSI {   64}
   (( segid "    " and resid 132  and name HN  ))
   (( segid "    " and resid 131  and name HN  ))
      2.300     0.600     0.600 peak    64 spectrum    1 weight  0.10000E+01 volume  0.17023E-01 ppm1      8.300 ppm2      6.926 CV     1
 ASSI {   65}
   (( segid "    " and resid 132  and name HN  ))
   (( segid "    " and resid 132  and name HA  ))
      2.800     1.000     1.000 peak    65 spectrum    1 weight  0.10000E+01 volume  0.10751E-01 ppm1      8.300 ppm2      4.758 CV     1
 ASSI {   66}
   (( segid "    " and resid 132  and name HN  ))
   (( segid "    " and resid 133  and name HA  ))
      3.700     1.700     1.700 peak    66 spectrum    1 weight  0.10000E+01 volume  0.26139E-02 ppm1      8.304 ppm2      4.104 CV     1
 ASSI {   69}
   (( segid "    " and resid 132  and name HN  ))
   (( segid "    " and resid 133  and name HB1 ))
      2.900     2.900     3.100 peak    69 spectrum    1 weight  0.10000E+01 volume  0.12229E-01 ppm1      8.300 ppm2      1.474 CV     1
 ASSI {   70}
   (( segid "    " and resid 132  and name HN  ))
   (  segid "    " and resid 132  and name HB% )
      2.800     1.000     1.000 peak    70 spectrum    1 weight  0.10000E+01 volume  0.21094E-01 ppm1      8.300 ppm2      1.006 CV     1
 ASSI {   71}
   (( segid "    " and resid 132  and name HN  ))
   (  segid "    " and resid 128  and name HD2%)
      4.800     2.900     1.200 peak    71 spectrum    1 weight  0.10000E+01 volume  0.10344E-02 ppm1      8.303 ppm2      0.606 CV     1
 ASSI {   72}
   (( segid "    " and resid 132  and name HN  ))
   (( segid "    " and resid 128  and name HG  ))
      3.700     1.800     1.800 peak    72 spectrum    1 weight  0.10000E+01 volume  0.43080E-02 ppm1      8.300 ppm2      0.319 CV     1
 ASSI {   73}
   (( segid "    " and resid 98   and name HN  ))
   (( segid "    " and resid 97   and name HB1 ))
      4.900     3.000     1.100 peak    73 spectrum    1 weight  0.10000E+01 volume  0.62531E-03 ppm1     11.149 ppm2      2.361 CV     1
 ASSI {   76}
   (( segid "    " and resid 98   and name HN  ))
   (( segid "    " and resid 99   and name HN  ))
      4.000     2.000     2.000 peak    76 spectrum    1 weight  0.10000E+01 volume  0.39278E-02 ppm1     11.140 ppm2      9.585 CV     1
 ASSI {   79}
   (( segid "    " and resid 98   and name HN  ))
   (( segid "    " and resid 97   and name HA  ))
      2.400     0.700     0.700 peak    79 spectrum    1 weight  0.10000E+01 volume  0.10938E-01 ppm1     11.142 ppm2      5.537 CV     1
 ASSI {   81}
   (( segid "    " and resid 98   and name HN  ))
   (( segid "    " and resid 98   and name HA  ))
      3.800     1.800     1.800 peak    81 spectrum    1 weight  0.10000E+01 volume  0.80740E-03 ppm1     11.140 ppm2      4.168 CV     1
 ASSI {   82}
   (( segid "    " and resid 98   and name HN  ))
   (( segid "    " and resid 98   and name HB  ))
      2.500     0.800     0.800 peak    82 spectrum    1 weight  0.10000E+01 volume  0.78997E-02 ppm1     11.145 ppm2      2.108 CV     1
 ASSI {   83}
   (( segid "    " and resid 98   and name HN  ))
   (( segid "    " and resid 98   and name HG11))
      3.500     1.500     1.500 peak    83 spectrum    1 weight  0.10000E+01 volume  0.65107E-02 ppm1     11.139 ppm2      1.864 CV     1
 ASSI {   85}
   (( segid "    " and resid 98   and name HN  ))
   (  segid "    " and resid 98   and name HG2%)
      3.900     1.900     1.900 peak    85 spectrum    1 weight  0.10000E+01 volume  0.69977E-02 ppm1     11.143 ppm2      0.818 CV     1
 ASSI {   87}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 61   and name HG1 ))
      5.100     3.200     0.900 peak    87 spectrum    1 weight  0.10000E+01 volume  0.23383E-02 ppm1      8.795 ppm2      2.218 CV     1
 ASSI {   90}
   (( segid "    " and resid 132  and name HN  ))
   (( segid "    " and resid 131  and name HA  ))
      3.200     1.300     1.300 peak    90 spectrum    1 weight  0.10000E+01 volume  0.66669E-02 ppm1      8.300 ppm2      4.497 CV     1
 ASSI {   91}
   (( segid "    " and resid 132  and name HN  ))
   (( segid "    " and resid 133  and name HD1 ))
      3.000     1.100     1.100 peak    91 spectrum    1 weight  0.10000E+01 volume  0.52947E-02 ppm1      8.298 ppm2      3.425 CV     1
 ASSI {   92}
   (( segid "    " and resid 132  and name HN  ))
   (( segid "    " and resid 133  and name HD2 ))
      4.100     2.100     1.900 peak    92 spectrum    1 weight  0.10000E+01 volume  0.64614E-02 ppm1      8.299 ppm2      3.116 CV     1
 ASSI {   95}
   (( segid "    " and resid 132  and name HN  ))
   (( segid "    " and resid 131  and name HG12))
      2.500     0.800     0.800 peak    95 spectrum    1 weight  0.10000E+01 volume  0.12805E-01 ppm1      8.300 ppm2      1.653 CV     1
 OR {   95}
   (( segid "    " and resid 132  and name HN  ))
   (( segid "    " and resid 131  and name HG11))
 ASSI {   97}
   (( segid "    " and resid 132  and name HN  ))
   (  segid "    " and resid 131  and name HG2%)
      3.600     1.600     1.600 peak    97 spectrum    1 weight  0.10000E+01 volume  0.13067E-01 ppm1      8.300 ppm2      0.853 CV     1
 ASSI {   98}
   (( segid "    " and resid 113  and name HN  ))
   (  segid "    " and resid 105  and name HG1%)
      3.800     1.800     1.800 peak    98 spectrum    1 weight  0.10000E+01 volume  0.91696E-02 ppm1      9.393 ppm2      1.029 CV     1
 OR {   98}
   (( segid "    " and resid 113  and name HN  ))
   (  segid "    " and resid 105  and name HG2%)
 ASSI {   99}
   (( segid "    " and resid 113  and name HN  ))
   (( segid "    " and resid 105  and name HA  ))
      4.600     2.700     1.400 peak    99 spectrum    1 weight  0.10000E+01 volume  0.29723E-02 ppm1      9.382 ppm2      4.648 CV     1
 ASSI {  101}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 31   and name HA  ))
      5.900     4.300     0.100 peak   101 spectrum    1 weight  0.10000E+01 volume  0.89658E-03 ppm1      8.795 ppm2      5.935 CV     1
 ASSI {  106}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 60   and name HB2 ))
      3.600     1.700     1.700 peak   106 spectrum    1 weight  0.10000E+01 volume  0.10079E-01 ppm1      8.794 ppm2      1.012 CV     1
 ASSI {  107}
   (( segid "    " and resid 2    and name HN  ))
   (( segid "    " and resid 62   and name HN  ))
      3.100     3.100     2.900 peak   107 spectrum    1 weight  0.10000E+01 volume  0.15029E-01 ppm1      8.788 ppm2      9.219 CV     1
 ASSI {  109}
   (( segid "    " and resid 2    and name HN  ))
   (( segid "    " and resid 102  and name HA2 ))
      3.100     1.200     1.200 peak   109 spectrum    1 weight  0.10000E+01 volume  0.15669E-01 ppm1      8.785 ppm2      3.870 CV     1
 OR {  109}
   (( segid "    " and resid 2    and name HN  ))
   (( segid "    " and resid 102  and name HA1 ))
 ASSI {  111}
   (( segid "    " and resid 158  and name HN  ))
   (( segid "    " and resid 41   and name HN  ))
      3.000     1.100     1.100 peak   111 spectrum    1 weight  0.10000E+01 volume  0.63220E-02 ppm1      8.662 ppm2      8.821 CV     1
 ASSI {  113}
   (( segid "    " and resid 158  and name HN  ))
   (( segid "    " and resid 158  and name HE3 ))
      5.400     3.600     0.600 peak   113 spectrum    1 weight  0.10000E+01 volume  0.10028E-02 ppm1      8.661 ppm2      7.390 CV     1
 ASSI {  114}
   (( segid "    " and resid 158  and name HN  ))
   (( segid "    " and resid 158  and name HD1 ))
      5.600     3.900     0.400 peak   114 spectrum    1 weight  0.10000E+01 volume  0.16790E-02 ppm1      8.665 ppm2      7.268 CV     1
 ASSI {  115}
   (( segid "    " and resid 158  and name HN  ))
   (  segid "    " and resid 40   and name HD% )
      2.500     2.500     3.500 peak   115 spectrum    1 weight  0.10000E+01 volume  0.34784E-02 ppm1      8.660 ppm2      7.034 CV     1
 ASSI {  116}
   (( segid "    " and resid 158  and name HN  ))
   (( segid "    " and resid 40   and name HA  ))
      2.700     0.900     0.900 peak   116 spectrum    1 weight  0.10000E+01 volume  0.11300E-01 ppm1      8.662 ppm2      5.252 CV     1
 ASSI {  117}
   (( segid "    " and resid 158  and name HN  ))
   (( segid "    " and resid 157  and name HA  ))
      2.200     0.600     0.600 peak   117 spectrum    1 weight  0.10000E+01 volume  0.16010E-01 ppm1      8.660 ppm2      4.497 CV     1
 ASSI {  118}
   (( segid "    " and resid 158  and name HN  ))
   (( segid "    " and resid 158  and name HA  ))
      3.000     1.100     1.100 peak   118 spectrum    1 weight  0.10000E+01 volume  0.46597E-02 ppm1      8.659 ppm2      3.960 CV     1
 ASSI {  119}
   (( segid "    " and resid 158  and name HN  ))
   (( segid "    " and resid 39   and name HB1 ))
      5.000     3.100     1.000 peak   119 spectrum    1 weight  0.10000E+01 volume  0.10681E-02 ppm1      8.662 ppm2      3.365 CV     1
 ASSI {  120}
   (( segid "    " and resid 158  and name HN  ))
   (( segid "    " and resid 158  and name HB2 ))
      2.500     0.800     0.800 peak   120 spectrum    1 weight  0.10000E+01 volume  0.12168E-01 ppm1      8.661 ppm2      3.059 CV     1
 ASSI {  121}
   (( segid "    " and resid 158  and name HN  ))
   (( segid "    " and resid 158  and name HB1 ))
      2.700     0.900     0.900 peak   121 spectrum    1 weight  0.10000E+01 volume  0.13464E-01 ppm1      8.663 ppm2      2.762 CV     1
 ASSI {  122}
   (( segid "    " and resid 158  and name HN  ))
   (( segid "    " and resid 157  and name HB1 ))
      2.800     1.000     1.000 peak   122 spectrum    1 weight  0.10000E+01 volume  0.11128E-01 ppm1      8.663 ppm2      1.834 CV     1
 ASSI {  123}
   (( segid "    " and resid 158  and name HN  ))
   (( segid "    " and resid 157  and name HG1 ))
      3.900     1.900     1.900 peak   123 spectrum    1 weight  0.10000E+01 volume  0.11566E-01 ppm1      8.662 ppm2      1.658 CV     1
 ASSI {  125}
   (( segid "    " and resid 158  and name HN  ))
   (( segid "    " and resid 157  and name HB2 ))
      4.600     2.700     1.400 peak   125 spectrum    1 weight  0.10000E+01 volume  0.25552E-02 ppm1      8.656 ppm2      1.988 CV     1
 ASSI {  127}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 37   and name HN  ))
      4.000     2.000     2.000 peak   127 spectrum    1 weight  0.10000E+01 volume  0.62200E-02 ppm1      8.534 ppm2      9.122 CV     1
 ASSI {  129}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 132  and name HN  ))
      5.000     3.200     1.000 peak   129 spectrum    1 weight  0.10000E+01 volume  0.22780E-02 ppm1      8.533 ppm2      8.337 CV     1
 ASSI {  130}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 35   and name HN  ))
      2.900     1.000     1.000 peak   130 spectrum    1 weight  0.10000E+01 volume  0.77138E-02 ppm1      8.534 ppm2      7.313 CV     1
 ASSI {  132}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 58   and name HA  ))
      1.800     0.400     0.400 peak   132 spectrum    1 weight  0.10000E+01 volume  0.32146E-01 ppm1      8.534 ppm2      5.021 CV     1
 ASSI {  135}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 58   and name HB  ))
      3.200     1.300     1.300 peak   135 spectrum    1 weight  0.10000E+01 volume  0.85985E-02 ppm1      8.535 ppm2      1.973 CV     1
 ASSI {  137}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 131  and name HG11))
      4.500     2.500     1.500 peak   137 spectrum    1 weight  0.10000E+01 volume  0.23058E-02 ppm1      8.532 ppm2      1.660 CV     1
 OR {  137}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 131  and name HG12))
 ASSI {  141}
   (( segid "    " and resid 59   and name HN  ))
   (  segid "    " and resid 131  and name HG2%)
      3.000     1.100     1.100 peak   141 spectrum    1 weight  0.10000E+01 volume  0.13315E-01 ppm1      8.534 ppm2      0.873 CV     1
 OR {  141}
   (( segid "    " and resid 59   and name HN  ))
   (  segid "    " and resid 131  and name HD1%)
 ASSI {  143}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 131  and name HA  ))
      4.600     2.600     1.400 peak   143 spectrum    1 weight  0.10000E+01 volume  0.16935E-02 ppm1      8.524 ppm2      4.536 CV     1
 ASSI {  149}
   (( segid "    " and resid 99   and name HN  ))
   (( segid "    " and resid 99   and name HA  ))
      3.900     1.900     1.900 peak   149 spectrum    1 weight  0.10000E+01 volume  0.16508E-02 ppm1      9.591 ppm2      4.565 CV     1
 ASSI {  150}
   (( segid "    " and resid 99   and name HN  ))
   (( segid "    " and resid 98   and name HA  ))
      2.500     0.800     0.800 peak   150 spectrum    1 weight  0.10000E+01 volume  0.92366E-02 ppm1      9.592 ppm2      4.169 CV     1
 ASSI {  152}
   (( segid "    " and resid 99   and name HN  ))
   (( segid "    " and resid 99   and name HB1 ))
      3.800     1.800     1.800 peak   152 spectrum    1 weight  0.10000E+01 volume  0.59813E-02 ppm1      9.592 ppm2      2.279 CV     1
 ASSI {  153}
   (( segid "    " and resid 99   and name HN  ))
   (( segid "    " and resid 98   and name HB  ))
      3.800     1.800     1.800 peak   153 spectrum    1 weight  0.10000E+01 volume  0.63332E-02 ppm1      9.592 ppm2      2.093 CV     1
 ASSI {  155}
   (( segid "    " and resid 99   and name HN  ))
   (( segid "    " and resid 98   and name HG12))
      3.700     1.700     1.700 peak   155 spectrum    1 weight  0.10000E+01 volume  0.13344E-01 ppm1      9.591 ppm2      0.977 CV     1
 ASSI {  158}
   (( segid "    " and resid 113  and name HN  ))
   (( segid "    " and resid 108  and name HN  ))
      2.800     2.800     3.200 peak   158 spectrum    1 weight  0.10000E+01 volume  0.18812E-02 ppm1      9.394 ppm2      8.980 CV     1
 ASSI {  159}
   (( segid "    " and resid 113  and name HN  ))
   (( segid "    " and resid 107  and name HA  ))
      4.100     2.100     1.900 peak   159 spectrum    1 weight  0.10000E+01 volume  0.47859E-02 ppm1      9.389 ppm2      5.511 CV     1
 ASSI {  160}
   (( segid "    " and resid 113  and name HN  ))
   (( segid "    " and resid 112  and name HA  ))
      2.300     0.700     0.700 peak   160 spectrum    1 weight  0.10000E+01 volume  0.18908E-01 ppm1      9.391 ppm2      5.239 CV     1
 ASSI {  162}
   (( segid "    " and resid 113  and name HN  ))
   (( segid "    " and resid 113  and name HA  ))
      3.000     1.100     1.100 peak   162 spectrum    1 weight  0.10000E+01 volume  0.60251E-02 ppm1      9.393 ppm2      4.330 CV     1
 ASSI {  163}
   (( segid "    " and resid 113  and name HN  ))
   (( segid "    " and resid 113  and name HB  ))
      2.700     0.900     0.900 peak   163 spectrum    1 weight  0.10000E+01 volume  0.72581E-02 ppm1      9.389 ppm2      1.871 CV     1
 ASSI {  164}
   (( segid "    " and resid 113  and name HN  ))
   (  segid "    " and resid 112  and name HG2%)
      3.900     1.900     1.900 peak   164 spectrum    1 weight  0.10000E+01 volume  0.18652E-01 ppm1      9.390 ppm2      1.446 CV     1
 ASSI {  165}
   (( segid "    " and resid 113  and name HN  ))
   (  segid "    " and resid 113  and name HG1%)
      3.100     1.200     1.200 peak   165 spectrum    1 weight  0.10000E+01 volume  0.11546E-01 ppm1      9.393 ppm2      0.919 CV     1
 ASSI {  168}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 61   and name HN  ))
      3.000     1.100     1.100 peak   168 spectrum    1 weight  0.10000E+01 volume  0.42304E-02 ppm1      9.171 ppm2      8.796 CV     1
 ASSI {  170}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 61   and name HA  ))
      3.900     1.900     1.900 peak   170 spectrum    1 weight  0.10000E+01 volume  0.97732E-02 ppm1      9.168 ppm2      4.754 CV     1
 ASSI {  171}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 34   and name HA  ))
      3.100     1.200     1.200 peak   171 spectrum    1 weight  0.10000E+01 volume  0.75035E-02 ppm1      9.171 ppm2      4.518 CV     1
 ASSI {  177}
   (( segid "    " and resid 34   and name HN  ))
   (  segid "    " and resid 60   and name HD1%)
      3.700     3.700     2.300 peak   177 spectrum    1 weight  0.10000E+01 volume  0.15673E-01 ppm1      9.172 ppm2      0.752 CV     1
 ASSI {  179}
   (( segid "    " and resid 2    and name HN  ))
   (( segid "    " and resid 2    and name HA  ))
      2.800     1.000     1.000 peak   179 spectrum    1 weight  0.10000E+01 volume  0.84173E-02 ppm1      8.776 ppm2      4.211 CV     1
 ASSI {  180}
   (( segid "    " and resid 2    and name HN  ))
   (  segid "    " and resid 2    and name HG1%)
      3.200     1.300     1.300 peak   180 spectrum    1 weight  0.10000E+01 volume  0.21385E-01 ppm1      8.776 ppm2      0.770 CV     1
 ASSI {  181}
   (( segid "    " and resid 2    and name HN  ))
   (  segid "    " and resid 2    and name HG2%)
      3.200     1.300     1.300 peak   181 spectrum    1 weight  0.10000E+01 volume  0.79760E-02 ppm1      8.778 ppm2      0.124 CV     1
 ASSI {  183}
   (( segid "    " and resid 2    and name HN  ))
   (( segid "    " and resid 1    and name HA  ))
      2.400     0.700     0.700 peak   183 spectrum    1 weight  0.10000E+01 volume  0.23269E-01 ppm1      8.775 ppm2      3.628 CV     1
 ASSI {  184}
   (( segid "    " and resid 2    and name HN  ))
   (( segid "    " and resid 2    and name HB  ))
      2.400     0.700     0.700 peak   184 spectrum    1 weight  0.10000E+01 volume  0.21286E-01 ppm1      8.774 ppm2      1.761 CV     1
 ASSI {  185}
   (( segid "    " and resid 2    and name HN  ))
   (( segid "    " and resid 1    and name HG21))
      3.100     1.200     1.200 peak   185 spectrum    1 weight  0.10000E+01 volume  0.18264E-01 ppm1      8.775 ppm2      0.546 CV     1
 ASSI {  196}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 60   and name HB1 ))
      2.400     0.700     0.700 peak   196 spectrum    1 weight  0.10000E+01 volume  0.10878E-01 ppm1      9.325 ppm2      1.839 CV     1
 ASSI {  197}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 34   and name HB2 ))
      5.500     5.500     0.500 peak   197 spectrum    1 weight  0.10000E+01 volume  0.10048E-02 ppm1      9.326 ppm2      1.557 CV     1
 ASSI {  201}
   (( segid "    " and resid 60   and name HN  ))
   (  segid "    " and resid 2    and name HG2%)
      4.300     2.300     1.700 peak   201 spectrum    1 weight  0.10000E+01 volume  0.65295E-02 ppm1      9.325 ppm2      0.124 CV     1
 ASSI {  202}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 4    and name HA  ))
      3.900     1.900     1.900 peak   202 spectrum    1 weight  0.10000E+01 volume  0.34532E-02 ppm1      9.322 ppm2      5.554 CV     1
 ASSI {  203}
   (( segid "    " and resid 136  and name HN  ))
   (( segid "    " and resid 136  and name HA  ))
      3.000     1.100     1.100 peak   203 spectrum    1 weight  0.10000E+01 volume  0.43891E-02 ppm1      8.395 ppm2      4.519 CV     1
 ASSI {  205}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 59   and name HN  ))
      4.400     2.400     1.600 peak   205 spectrum    1 weight  0.10000E+01 volume  0.20359E-02 ppm1      9.327 ppm2      8.533 CV     1
 ASSI {  206}
   (( segid "    " and resid 60   and name HN  ))
   (  segid "    " and resid 4    and name HD% )
      4.500     2.600     1.500 peak   206 spectrum    1 weight  0.10000E+01 volume  0.18578E-02 ppm1      9.329 ppm2      6.820 CV     1
 ASSI {  207}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 59   and name HA  ))
      2.100     0.500     0.500 peak   207 spectrum    1 weight  0.10000E+01 volume  0.26734E-01 ppm1      9.326 ppm2      4.831 CV     1
 ASSI {  208}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 2    and name HA  ))
      5.000     3.100     1.000 peak   208 spectrum    1 weight  0.10000E+01 volume  0.19989E-02 ppm1      9.325 ppm2      4.214 CV     1
 ASSI {  219}
   (( segid "    " and resid 95   and name HN  ))
   (( segid "    " and resid 96   and name HB2 ))
      4.000     2.000     2.000 peak   219 spectrum    1 weight  0.10000E+01 volume  0.41560E-02 ppm1      9.221 ppm2      2.189 CV     1
 ASSI {  220}
   (( segid "    " and resid 95   and name HN  ))
   (( segid "    " and resid 77   and name HG1 ))
      4.200     2.300     1.800 peak   220 spectrum    1 weight  0.10000E+01 volume  0.34599E-02 ppm1      9.226 ppm2      1.999 CV     1
 ASSI {  221}
   (( segid "    " and resid 107  and name HN  ))
   (( segid "    " and resid 113  and name HB  ))
      4.700     2.800     1.300 peak   221 spectrum    1 weight  0.10000E+01 volume  0.25193E-02 ppm1      9.222 ppm2      1.908 CV     1
 ASSI {  224}
   (( segid "    " and resid 107  and name HN  ))
   (( segid "    " and resid 107  and name HD21))
      3.700     1.700     1.700 peak   224 spectrum    1 weight  0.10000E+01 volume  0.19192E-02 ppm1      9.216 ppm2      7.808 CV     1
 ASSI {  225}
   (( segid "    " and resid 107  and name HN  ))
   (( segid "    " and resid 106  and name HA  ))
      2.200     0.600     0.600 peak   225 spectrum    1 weight  0.10000E+01 volume  0.37852E-01 ppm1      9.216 ppm2      4.310 CV     1
 ASSI {  227}
   (( segid "    " and resid 107  and name HN  ))
   (  segid "    " and resid 108  and name HG2%)
      3.200     3.200     2.800 peak   227 spectrum    1 weight  0.10000E+01 volume  0.12002E-01 ppm1      9.215 ppm2      1.216 CV     1
 ASSI {  229}
   (( segid "    " and resid 143  and name HN  ))
   (( segid "    " and resid 133  and name HB1 ))
      5.000     3.100     1.000 peak   229 spectrum    1 weight  0.10000E+01 volume  0.42889E-02 ppm1      8.452 ppm2      1.517 CV     1
 ASSI {  231}
   (( segid "    " and resid 143  and name HN  ))
   (( segid "    " and resid 142  and name HN  ))
      3.600     1.600     1.600 peak   231 spectrum    1 weight  0.10000E+01 volume  0.51992E-02 ppm1      8.448 ppm2      9.244 CV     1
 ASSI {  233}
   (( segid "    " and resid 143  and name HN  ))
   (( segid "    " and resid 142  and name HA  ))
      2.100     0.600     0.600 peak   233 spectrum    1 weight  0.10000E+01 volume  0.26125E-01 ppm1      8.448 ppm2      4.799 CV     1
 ASSI {  234}
   (( segid "    " and resid 143  and name HN  ))
   (( segid "    " and resid 136  and name HA  ))
      3.600     1.600     1.600 peak   234 spectrum    1 weight  0.10000E+01 volume  0.90633E-02 ppm1      8.447 ppm2      4.519 CV     1
 ASSI {  235}
   (( segid "    " and resid 143  and name HN  ))
   (( segid "    " and resid 143  and name HA  ))
      3.000     1.100     1.100 peak   235 spectrum    1 weight  0.10000E+01 volume  0.57176E-02 ppm1      8.446 ppm2      4.085 CV     1
 ASSI {  238}
   (( segid "    " and resid 143  and name HN  ))
   (( segid "    " and resid 142  and name HG1 ))
      5.000     3.200     1.000 peak   238 spectrum    1 weight  0.10000E+01 volume  0.27696E-02 ppm1      8.446 ppm2      2.654 CV     1
 ASSI {  239}
   (( segid "    " and resid 143  and name HN  ))
   (( segid "    " and resid 143  and name HB2 ))
      2.300     0.700     0.700 peak   239 spectrum    1 weight  0.10000E+01 volume  0.13324E-01 ppm1      8.449 ppm2      2.221 CV     1
 ASSI {  240}
   (( segid "    " and resid 143  and name HN  ))
   (( segid "    " and resid 136  and name HB  ))
      2.500     2.500     3.500 peak   240 spectrum    1 weight  0.10000E+01 volume  0.33808E-02 ppm1      8.441 ppm2      1.933 CV     1
 ASSI {  241}
   (( segid "    " and resid 143  and name HN  ))
   (( segid "    " and resid 135  and name HB2 ))
      4.200     2.200     1.800 peak   241 spectrum    1 weight  0.10000E+01 volume  0.35376E-02 ppm1      8.446 ppm2      1.767 CV     1
 ASSI {  247}
   (( segid "    " and resid 136  and name HN  ))
   (( segid "    " and resid 135  and name HN  ))
      4.500     2.500     1.500 peak   247 spectrum    1 weight  0.10000E+01 volume  0.40832E-02 ppm1      8.393 ppm2      7.212 CV     1
 ASSI {  248}
   (( segid "    " and resid 136  and name HN  ))
   (( segid "    " and resid 135  and name HA  ))
      2.200     0.600     0.600 peak   248 spectrum    1 weight  0.10000E+01 volume  0.30384E-01 ppm1      8.393 ppm2      3.846 CV     1
 ASSI {  249}
   (( segid "    " and resid 136  and name HN  ))
   (( segid "    " and resid 136  and name HB  ))
      2.900     1.100     1.100 peak   249 spectrum    1 weight  0.10000E+01 volume  0.12504E-01 ppm1      8.393 ppm2      1.942 CV     1
 ASSI {  250}
   (( segid "    " and resid 136  and name HN  ))
   (( segid "    " and resid 135  and name HB2 ))
      4.000     2.000     2.000 peak   250 spectrum    1 weight  0.10000E+01 volume  0.77405E-02 ppm1      8.392 ppm2      1.724 CV     1
 ASSI {  251}
   (( segid "    " and resid 136  and name HN  ))
   (( segid "    " and resid 135  and name HG  ))
      3.300     1.300     1.300 peak   251 spectrum    1 weight  0.10000E+01 volume  0.17466E-01 ppm1      8.393 ppm2      1.256 CV     1
 ASSI {  252}
   (( segid "    " and resid 136  and name HN  ))
   (  segid "    " and resid 136  and name HG1%)
      2.600     0.800     0.800 peak   252 spectrum    1 weight  0.10000E+01 volume  0.22117E-01 ppm1      8.393 ppm2      1.035 CV     1
 OR {  252}
   (( segid "    " and resid 136  and name HN  ))
   (  segid "    " and resid 136  and name HG2%)
 ASSI {  253}
   (( segid "    " and resid 136  and name HN  ))
   (  segid "    " and resid 135  and name HD1%)
      3.000     1.100     1.100 peak   253 spectrum    1 weight  0.10000E+01 volume  0.75823E-02 ppm1      8.393 ppm2      0.371 CV     1
 ASSI {  254}
   (( segid "    " and resid 136  and name HN  ))
   (  segid "    " and resid 135  and name HD2%)
      3.600     1.600     1.600 peak   254 spectrum    1 weight  0.10000E+01 volume  0.51378E-02 ppm1      8.393 ppm2      0.110 CV     1
 ASSI {  258}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 82   and name HA  ))
      2.400     0.700     0.700 peak   258 spectrum    1 weight  0.10000E+01 volume  0.21009E-01 ppm1      8.231 ppm2      4.377 CV     1
 ASSI {  259}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 92   and name HD1 ))
      3.200     1.200     1.200 peak   259 spectrum    1 weight  0.10000E+01 volume  0.53040E-02 ppm1      8.230 ppm2      3.517 CV     1
 ASSI {  261}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 83   and name HB  ))
      2.700     0.900     0.900 peak   261 spectrum    1 weight  0.10000E+01 volume  0.12438E-01 ppm1      8.231 ppm2      2.108 CV     1
 ASSI {  263}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 82   and name HB2 ))
      3.300     1.300     1.300 peak   263 spectrum    1 weight  0.10000E+01 volume  0.68596E-02 ppm1      8.229 ppm2      1.592 CV     1
 OR {  263}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 82   and name HB1 ))
 ASSI {  265}
   (( segid "    " and resid 83   and name HN  ))
   (  segid "    " and resid 83   and name HG2%)
      2.900     1.000     1.000 peak   265 spectrum    1 weight  0.10000E+01 volume  0.22196E-01 ppm1      8.232 ppm2      0.983 CV     1
 OR {  265}
   (( segid "    " and resid 83   and name HN  ))
   (  segid "    " and resid 83   and name HG1%)
 ASSI {  268}
   (( segid "    " and resid 95   and name HN  ))
   (( segid "    " and resid 8    and name HN  ))
      3.000     1.100     1.100 peak   268 spectrum    1 weight  0.10000E+01 volume  0.69497E-02 ppm1      9.211 ppm2      8.735 CV     1
 ASSI {  269}
   (( segid "    " and resid 107  and name HN  ))
   (( segid "    " and resid 107  and name HA  ))
      3.000     1.100     1.100 peak   269 spectrum    1 weight  0.10000E+01 volume  0.87184E-02 ppm1      9.216 ppm2      5.512 CV     1
 ASSI {  270}
   (( segid "    " and resid 95   and name HN  ))
   (( segid "    " and resid 8    and name HA2 ))
      4.400     2.400     1.600 peak   270 spectrum    1 weight  0.10000E+01 volume  0.41930E-02 ppm1      9.209 ppm2      4.150 CV     1
 ASSI {  277}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 83   and name HB  ))
      4.500     2.500     1.500 peak   277 spectrum    1 weight  0.10000E+01 volume  0.34059E-02 ppm1      8.803 ppm2      2.100 CV     1
 ASSI {  280}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 84   and name HD1 ))
      4.500     2.500     1.500 peak   280 spectrum    1 weight  0.10000E+01 volume  0.20212E-02 ppm1      8.799 ppm2      3.223 CV     1
 OR {  280}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 84   and name HD2 ))
 ASSI {  281}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 92   and name HG1 ))
      2.900     2.900     3.100 peak   281 spectrum    1 weight  0.10000E+01 volume  0.23604E-01 ppm1      8.800 ppm2      1.833 CV     1
 ASSI {  282}
   (( segid "    " and resid 84   and name HN  ))
   (  segid "    " and resid 83   and name HG1%)
      3.400     1.500     1.500 peak   282 spectrum    1 weight  0.10000E+01 volume  0.11020E-01 ppm1      8.801 ppm2      0.972 CV     1
 OR {  282}
   (( segid "    " and resid 84   and name HN  ))
   (  segid "    " and resid 83   and name HG2%)
 ASSI {  286}
   (( segid "    " and resid 101  and name HN  ))
   (( segid "    " and resid 101  and name HA  ))
      3.300     1.400     1.400 peak   286 spectrum    1 weight  0.10000E+01 volume  0.35027E-02 ppm1      9.848 ppm2      4.569 CV     1
 ASSI {  287}
   (( segid "    " and resid 101  and name HN  ))
   (( segid "    " and resid 101  and name HB2 ))
      2.900     1.000     1.000 peak   287 spectrum    1 weight  0.10000E+01 volume  0.84711E-02 ppm1      9.849 ppm2      3.324 CV     1
 ASSI {  288}
   (( segid "    " and resid 101  and name HN  ))
   (( segid "    " and resid 101  and name HB1 ))
      2.900     1.100     1.100 peak   288 spectrum    1 weight  0.10000E+01 volume  0.65245E-02 ppm1      9.851 ppm2      2.320 CV     1
 ASSI {  290}
   (( segid "    " and resid 101  and name HN  ))
   (( segid "    " and resid 100  and name HB1 ))
      3.400     1.400     1.400 peak   290 spectrum    1 weight  0.10000E+01 volume  0.59312E-02 ppm1      9.854 ppm2      1.806 CV     1
 ASSI {  294}
   (( segid "    " and resid 101  and name HN  ))
   (  segid "    " and resid 113  and name HG1%)
      4.500     2.500     1.500 peak   294 spectrum    1 weight  0.10000E+01 volume  0.41194E-02 ppm1      9.851 ppm2      0.908 CV     1
 ASSI {  296}
   (( segid "    " and resid 97   and name HN  ))
   (( segid "    " and resid 6    and name HN  ))
      3.100     1.200     1.200 peak   296 spectrum    1 weight  0.10000E+01 volume  0.50304E-02 ppm1      8.999 ppm2      9.989 CV     1
 ASSI {  299}
   (( segid "    " and resid 97   and name HN  ))
   (( segid "    " and resid 97   and name HA  ))
      3.000     1.100     1.100 peak   299 spectrum    1 weight  0.10000E+01 volume  0.55699E-02 ppm1      8.998 ppm2      5.538 CV     1
 ASSI {  300}
   (( segid "    " and resid 97   and name HN  ))
   (( segid "    " and resid 96   and name HA  ))
      2.400     0.700     0.700 peak   300 spectrum    1 weight  0.10000E+01 volume  0.16970E-01 ppm1      8.998 ppm2      5.372 CV     1
 ASSI {  303}
   (( segid "    " and resid 97   and name HN  ))
   (( segid "    " and resid 96   and name HB2 ))
      4.200     2.200     1.800 peak   303 spectrum    1 weight  0.10000E+01 volume  0.51986E-02 ppm1      9.001 ppm2      2.147 CV     1
 ASSI {  304}
   (( segid "    " and resid 97   and name HN  ))
   (( segid "    " and resid 70   and name HG  ))
      5.300     3.500     0.700 peak   304 spectrum    1 weight  0.10000E+01 volume  0.12705E-02 ppm1      8.999 ppm2      1.371 CV     1
 ASSI {  305}
   (( segid "    " and resid 97   and name HN  ))
   (( segid "    " and resid 96   and name HB1 ))
      3.800     1.800     1.800 peak   305 spectrum    1 weight  0.10000E+01 volume  0.16220E-01 ppm1      8.998 ppm2      0.956 CV     1
 ASSI {  306}
   (( segid "    " and resid 97   and name HN  ))
   (  segid "    " and resid 5    and name HG2%)
      2.600     0.900     0.900 peak   306 spectrum    1 weight  0.10000E+01 volume  0.16702E-01 ppm1      8.998 ppm2      0.854 CV     1
 ASSI {  307}
   (( segid "    " and resid 97   and name HN  ))
   (( segid "    " and resid 97   and name HB2 ))
      3.200     1.300     1.300 peak   307 spectrum    1 weight  0.10000E+01 volume  0.61074E-02 ppm1      8.996 ppm2      2.527 CV     1
 ASSI {  308}
   (( segid "    " and resid 97   and name HN  ))
   (  segid "    " and resid 6    and name HB% )
      3.300     1.300     1.300 peak   308 spectrum    1 weight  0.10000E+01 volume  0.80791E-02 ppm1      8.997 ppm2      1.775 CV     1
 ASSI {  309}
   (( segid "    " and resid 97   and name HN  ))
   (( segid "    " and resid 96   and name HG  ))
      4.600     2.700     1.400 peak   309 spectrum    1 weight  0.10000E+01 volume  0.22210E-02 ppm1      8.994 ppm2      1.654 CV     1
 ASSI {  310}
   (( segid "    " and resid 97   and name HN  ))
   (( segid "    " and resid 5    and name HG12))
      4.600     2.600     1.400 peak   310 spectrum    1 weight  0.10000E+01 volume  0.24007E-02 ppm1      8.991 ppm2      1.606 CV     1
 OR {  310}
   (( segid "    " and resid 97   and name HN  ))
   (( segid "    " and resid 5    and name HG11))
 ASSI {  312}
   (( segid "    " and resid 88   and name HN  ))
   (( segid "    " and resid 87   and name HN  ))
      3.800     1.800     1.800 peak   312 spectrum    1 weight  0.10000E+01 volume  0.44034E-02 ppm1      8.647 ppm2      8.351 CV     1
 ASSI {  314}
   (( segid "    " and resid 88   and name HN  ))
   (( segid "    " and resid 87   and name HG1 ))
      4.400     2.400     1.600 peak   314 spectrum    1 weight  0.10000E+01 volume  0.45984E-02 ppm1      8.649 ppm2      2.332 CV     1
 OR {  314}
   (( segid "    " and resid 88   and name HN  ))
   (( segid "    " and resid 87   and name HG2 ))
 ASSI {  316}
   (( segid "    " and resid 88   and name HN  ))
   (( segid "    " and resid 88   and name HB2 ))
      2.800     1.000     1.000 peak   316 spectrum    1 weight  0.10000E+01 volume  0.10209E-01 ppm1      8.647 ppm2      1.676 CV     1
 ASSI {  319}
   (( segid "    " and resid 88   and name HN  ))
   (( segid "    " and resid 89   and name HN  ))
      4.000     2.000     2.000 peak   319 spectrum    1 weight  0.10000E+01 volume  0.10128E-02 ppm1      8.645 ppm2      9.339 CV     1
 ASSI {  322}
   (( segid "    " and resid 88   and name HN  ))
   (( segid "    " and resid 88   and name HD2 ))
      5.800     4.300     0.200 peak   322 spectrum    1 weight  0.10000E+01 volume  0.75536E-03 ppm1      8.644 ppm2      2.905 CV     1
 ASSI {  325}
   (( segid "    " and resid 112  and name HN  ))
   (( segid "    " and resid 113  and name HN  ))
      4.300     2.300     1.700 peak   325 spectrum    1 weight  0.10000E+01 volume  0.19752E-02 ppm1      9.760 ppm2      9.375 CV     1
 ASSI {  327}
   (( segid "    " and resid 112  and name HN  ))
   (( segid "    " and resid 71   and name HN  ))
      2.700     2.700     3.300 peak   327 spectrum    1 weight  0.10000E+01 volume  0.25527E-02 ppm1      9.759 ppm2      7.770 CV     1
 ASSI {  328}
   (( segid "    " and resid 112  and name HN  ))
   (( segid "    " and resid 111  and name HN  ))
      4.400     2.400     1.600 peak   328 spectrum    1 weight  0.10000E+01 volume  0.27955E-02 ppm1      9.760 ppm2      7.644 CV     1
 ASSI {  330}
   (( segid "    " and resid 112  and name HN  ))
   (( segid "    " and resid 112  and name HA  ))
      2.900     1.000     1.000 peak   330 spectrum    1 weight  0.10000E+01 volume  0.52114E-02 ppm1      9.761 ppm2      5.235 CV     1
 ASSI {  332}
   (( segid "    " and resid 112  and name HN  ))
   (( segid "    " and resid 112  and name HB  ))
      3.100     1.200     1.200 peak   332 spectrum    1 weight  0.10000E+01 volume  0.10158E-01 ppm1      9.760 ppm2      4.363 CV     1
 ASSI {  333}
   (( segid "    " and resid 112  and name HN  ))
   (( segid "    " and resid 111  and name HA  ))
      2.000     0.500     0.500 peak   333 spectrum    1 weight  0.10000E+01 volume  0.22727E-01 ppm1      9.761 ppm2      3.901 CV     1
 ASSI {  334}
   (( segid "    " and resid 112  and name HN  ))
   (  segid "    " and resid 112  and name HG2%)
      3.400     1.500     1.500 peak   334 spectrum    1 weight  0.10000E+01 volume  0.77140E-02 ppm1      9.761 ppm2      1.443 CV     1
 ASSI {  335}
   (( segid "    " and resid 112  and name HN  ))
   (( segid "    " and resid 70   and name HG  ))
      4.300     2.300     1.700 peak   335 spectrum    1 weight  0.10000E+01 volume  0.48766E-02 ppm1      9.760 ppm2      1.380 CV     1
 ASSI {  337}
   (( segid "    " and resid 112  and name HN  ))
   (( segid "    " and resid 111  and name HB1 ))
      3.900     1.900     1.900 peak   337 spectrum    1 weight  0.10000E+01 volume  0.74085E-02 ppm1      9.760 ppm2      0.916 CV     1
 ASSI {  341}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 58   and name HN  ))
      3.100     1.200     1.200 peak   341 spectrum    1 weight  0.10000E+01 volume  0.51721E-02 ppm1      9.494 ppm2      9.076 CV     1
 ASSI {  342}
   (( segid "    " and resid 5    and name HN  ))
   (  segid "    " and resid 4    and name HD% )
      4.500     2.500     1.500 peak   342 spectrum    1 weight  0.10000E+01 volume  0.29677E-02 ppm1      9.497 ppm2      6.833 CV     1
 ASSI {  343}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 4    and name HA  ))
      2.300     0.700     0.700 peak   343 spectrum    1 weight  0.10000E+01 volume  0.16836E-01 ppm1      9.497 ppm2      5.565 CV     1
 ASSI {  344}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 59   and name HA  ))
      3.500     1.500     1.500 peak   344 spectrum    1 weight  0.10000E+01 volume  0.78003E-02 ppm1      9.497 ppm2      4.851 CV     1
 ASSI {  346}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 5    and name HB  ))
      2.800     1.000     1.000 peak   346 spectrum    1 weight  0.10000E+01 volume  0.93750E-02 ppm1      9.495 ppm2      1.762 CV     1
 ASSI {  347}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 5    and name HG11))
      3.100     1.200     1.200 peak   347 spectrum    1 weight  0.10000E+01 volume  0.65829E-02 ppm1      9.495 ppm2      1.575 CV     1
 OR {  347}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 5    and name HG12))
 ASSI {  351}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 60   and name HN  ))
      3.600     1.600     1.600 peak   351 spectrum    1 weight  0.10000E+01 volume  0.42338E-02 ppm1      9.490 ppm2      9.322 CV     1
 ASSI {  352}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 58   and name HA  ))
      4.600     2.600     1.400 peak   352 spectrum    1 weight  0.10000E+01 volume  0.24540E-02 ppm1      9.489 ppm2      5.017 CV     1
 ASSI {  353}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 4    and name HB2 ))
      3.800     1.800     1.800 peak   353 spectrum    1 weight  0.10000E+01 volume  0.55716E-02 ppm1      9.491 ppm2      2.730 CV     1
 ASSI {  354}
   (( segid "    " and resid 5    and name HN  ))
   (  segid "    " and resid 57   and name HB% )
      5.000     3.200     1.000 peak   354 spectrum    1 weight  0.10000E+01 volume  0.13362E-02 ppm1      9.489 ppm2      1.359 CV     1
 ASSI {  356}
   (( segid "    " and resid 116  and name HN  ))
   (  segid "    " and resid 116  and name HD% )
      2.900     1.100     1.100 peak   356 spectrum    1 weight  0.10000E+01 volume  0.10719E-01 ppm1      8.412 ppm2      6.643 CV     1
 ASSI {  357}
   (( segid "    " and resid 116  and name HN  ))
   (( segid "    " and resid 115  and name HA  ))
      3.000     1.100     1.100 peak   357 spectrum    1 weight  0.10000E+01 volume  0.60738E-02 ppm1      8.412 ppm2      4.588 CV     1
 ASSI {  360}
   (( segid "    " and resid 116  and name HN  ))
   (( segid "    " and resid 116  and name HA  ))
      3.100     1.200     1.200 peak   360 spectrum    1 weight  0.10000E+01 volume  0.60732E-02 ppm1      8.408 ppm2      4.188 CV     1
 ASSI {  361}
   (( segid "    " and resid 116  and name HN  ))
   (( segid "    " and resid 115  and name HB1 ))
      4.100     2.100     1.900 peak   361 spectrum    1 weight  0.10000E+01 volume  0.64100E-02 ppm1      8.409 ppm2      3.013 CV     1
 ASSI {  363}
   (( segid "    " and resid 137  and name HN  ))
   (( segid "    " and resid 137  and name HB2 ))
      2.700     0.900     0.900 peak   363 spectrum    1 weight  0.10000E+01 volume  0.49968E-02 ppm1      9.232 ppm2      3.353 CV     1
 ASSI {  365}
   (( segid "    " and resid 137  and name HN  ))
   (( segid "    " and resid 136  and name HN  ))
      3.600     1.600     1.600 peak   365 spectrum    1 weight  0.10000E+01 volume  0.51312E-02 ppm1      9.227 ppm2      8.408 CV     1
 ASSI {  367}
   (( segid "    " and resid 137  and name HN  ))
   (  segid "    " and resid 137  and name HD% )
      2.300     0.700     0.700 peak   367 spectrum    1 weight  0.10000E+01 volume  0.81758E-02 ppm1      9.228 ppm2      7.328 CV     1
 ASSI {  369}
   (( segid "    " and resid 137  and name HN  ))
   (( segid "    " and resid 142  and name HA  ))
      3.400     1.500     1.500 peak   369 spectrum    1 weight  0.10000E+01 volume  0.52097E-02 ppm1      9.229 ppm2      4.787 CV     1
 ASSI {  370}
   (( segid "    " and resid 137  and name HN  ))
   (( segid "    " and resid 136  and name HA  ))
      2.100     0.600     0.600 peak   370 spectrum    1 weight  0.10000E+01 volume  0.13958E-01 ppm1      9.229 ppm2      4.503 CV     1
 ASSI {  371}
   (( segid "    " and resid 137  and name HN  ))
   (( segid "    " and resid 137  and name HA  ))
      2.800     1.000     1.000 peak   371 spectrum    1 weight  0.10000E+01 volume  0.84503E-02 ppm1      9.229 ppm2      4.311 CV     1
 ASSI {  372}
   (( segid "    " and resid 137  and name HN  ))
   (( segid "    " and resid 138  and name HD2 ))
      4.600     2.700     1.400 peak   372 spectrum    1 weight  0.10000E+01 volume  0.61736E-02 ppm1      9.226 ppm2      4.022 CV     1
 OR {  372}
   (( segid "    " and resid 137  and name HN  ))
   (( segid "    " and resid 138  and name HD1 ))
 ASSI {  373}
   (( segid "    " and resid 137  and name HN  ))
   (( segid "    " and resid 137  and name HB1 ))
      3.600     1.600     1.600 peak   373 spectrum    1 weight  0.10000E+01 volume  0.95750E-02 ppm1      9.229 ppm2      3.260 CV     1
 ASSI {  375}
   (( segid "    " and resid 137  and name HN  ))
   (( segid "    " and resid 136  and name HB  ))
      3.900     1.900     1.900 peak   375 spectrum    1 weight  0.10000E+01 volume  0.66604E-02 ppm1      9.228 ppm2      1.938 CV     1
 ASSI {  376}
   (( segid "    " and resid 137  and name HN  ))
   (  segid "    " and resid 136  and name HG2%)
      2.600     2.600     3.400 peak   376 spectrum    1 weight  0.10000E+01 volume  0.18290E-01 ppm1      9.227 ppm2      1.031 CV     1
 OR {  376}
   (( segid "    " and resid 137  and name HN  ))
   (  segid "    " and resid 136  and name HG1%)
 ASSI {  379}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 158  and name HE3 ))
      4.600     2.600     1.400 peak   379 spectrum    1 weight  0.10000E+01 volume  0.32161E-02 ppm1      8.829 ppm2      7.392 CV     1
 ASSI {  380}
   (( segid "    " and resid 41   and name HN  ))
   (  segid "    " and resid 40   and name HD% )
      4.300     2.300     1.700 peak   380 spectrum    1 weight  0.10000E+01 volume  0.38684E-02 ppm1      8.829 ppm2      7.049 CV     1
 ASSI {  382}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 41   and name HA  ))
      3.400     1.400     1.400 peak   382 spectrum    1 weight  0.10000E+01 volume  0.27179E-02 ppm1      8.832 ppm2      6.085 CV     1
 ASSI {  383}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 40   and name HA  ))
      2.400     0.700     0.700 peak   383 spectrum    1 weight  0.10000E+01 volume  0.13343E-01 ppm1      8.830 ppm2      5.251 CV     1
 ASSI {  384}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 157  and name HA  ))
      3.000     1.100     1.100 peak   384 spectrum    1 weight  0.10000E+01 volume  0.71316E-02 ppm1      8.830 ppm2      4.495 CV     1
 ASSI {  385}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 158  and name HA  ))
      3.900     1.900     1.900 peak   385 spectrum    1 weight  0.10000E+01 volume  0.34417E-02 ppm1      8.831 ppm2      3.961 CV     1
 ASSI {  387}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 41   and name HD1 ))
      4.300     2.300     1.700 peak   387 spectrum    1 weight  0.10000E+01 volume  0.72022E-02 ppm1      8.830 ppm2      2.844 CV     1
 ASSI {  388}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 40   and name HB1 ))
      2.900     1.100     1.100 peak   388 spectrum    1 weight  0.10000E+01 volume  0.81941E-02 ppm1      8.828 ppm2      2.701 CV     1
 ASSI {  389}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 41   and name HB1 ))
      2.500     0.800     0.800 peak   389 spectrum    1 weight  0.10000E+01 volume  0.14691E-01 ppm1      8.829 ppm2      1.739 CV     1
 OR {  389}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 41   and name HB2 ))
 ASSI {  390}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 155  and name HB1 ))
      3.600     1.600     1.600 peak   390 spectrum    1 weight  0.10000E+01 volume  0.10612E-01 ppm1      8.832 ppm2      1.411 CV     1
 OR {  390}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 155  and name HB2 ))
 ASSI {  392}
   (( segid "    " and resid 153  and name HN  ))
   (( segid "    " and resid 154  and name HN  ))
      3.300     1.400     1.400 peak   392 spectrum    1 weight  0.10000E+01 volume  0.71729E-02 ppm1      8.744 ppm2      8.304 CV     1
 ASSI {  394}
   (( segid "    " and resid 153  and name HN  ))
   (  segid "    " and resid 152  and name HD% )
      3.900     1.900     1.900 peak   394 spectrum    1 weight  0.10000E+01 volume  0.87263E-02 ppm1      8.745 ppm2      7.049 CV     1
 ASSI {  395}
   (( segid "    " and resid 153  and name HN  ))
   (( segid "    " and resid 152  and name HA  ))
      2.200     0.600     0.600 peak   395 spectrum    1 weight  0.10000E+01 volume  0.53846E-01 ppm1      8.744 ppm2      4.618 CV     1
 ASSI {  396}
   (( segid "    " and resid 153  and name HN  ))
   (( segid "    " and resid 151  and name HA  ))
      3.600     1.600     1.600 peak   396 spectrum    1 weight  0.10000E+01 volume  0.38160E-02 ppm1      8.743 ppm2      4.099 CV     1
 ASSI {  397}
   (( segid "    " and resid 153  and name HN  ))
   (( segid "    " and resid 152  and name HB2 ))
      3.600     1.600     1.600 peak   397 spectrum    1 weight  0.10000E+01 volume  0.10811E-01 ppm1      8.742 ppm2      3.379 CV     1
 ASSI {  399}
   (( segid "    " and resid 153  and name HN  ))
   (( segid "    " and resid 153  and name HB2 ))
      2.500     0.800     0.800 peak   399 spectrum    1 weight  0.10000E+01 volume  0.31778E-01 ppm1      8.744 ppm2      2.592 CV     1
 ASSI {  400}
   (( segid "    " and resid 153  and name HN  ))
   (( segid "    " and resid 154  and name HB2 ))
      4.700     2.700     1.300 peak   400 spectrum    1 weight  0.10000E+01 volume  0.34361E-02 ppm1      8.742 ppm2      1.420 CV     1
 OR {  400}
   (( segid "    " and resid 153  and name HN  ))
   (( segid "    " and resid 154  and name HB1 ))
 ASSI {  401}
   (( segid "    " and resid 153  and name HN  ))
   (( segid "    " and resid 154  and name HG2 ))
      3.900     1.900     1.900 peak   401 spectrum    1 weight  0.10000E+01 volume  0.26017E-02 ppm1      8.743 ppm2      1.210 CV     1
 ASSI {  402}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 19   and name HA  ))
      3.700     1.700     1.700 peak   402 spectrum    1 weight  0.10000E+01 volume  0.53983E-02 ppm1      8.468 ppm2      4.601 CV     1
 ASSI {  405}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 60   and name HA  ))
      5.000     3.100     1.000 peak   405 spectrum    1 weight  0.10000E+01 volume  0.18502E-02 ppm1      9.246 ppm2      4.768 CV     1
 ASSI {  408}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 32   and name HA  ))
      2.300     0.700     0.700 peak   408 spectrum    1 weight  0.10000E+01 volume  0.26643E-01 ppm1      9.240 ppm2      4.920 CV     1
 ASSI {  409}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 26   and name HA1 ))
      3.700     1.700     1.700 peak   409 spectrum    1 weight  0.10000E+01 volume  0.10166E-01 ppm1      9.243 ppm2      3.876 CV     1
 ASSI {  410}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 32   and name HB2 ))
      4.400     2.400     1.600 peak   410 spectrum    1 weight  0.10000E+01 volume  0.58883E-02 ppm1      9.240 ppm2      3.352 CV     1
 ASSI {  411}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 32   and name HB1 ))
      3.700     1.700     1.700 peak   411 spectrum    1 weight  0.10000E+01 volume  0.80180E-02 ppm1      9.241 ppm2      3.159 CV     1
 ASSI {  412}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 33   and name HB  ))
      2.300     0.600     0.600 peak   412 spectrum    1 weight  0.10000E+01 volume  0.24384E-01 ppm1      9.241 ppm2      1.766 CV     1
 ASSI {  413}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 33   and name HG11))
      2.700     0.900     0.900 peak   413 spectrum    1 weight  0.10000E+01 volume  0.14627E-01 ppm1      9.240 ppm2      1.587 CV     1
 OR {  413}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 33   and name HG12))
 ASSI {  416}
   (( segid "    " and resid 153  and name HN  ))
   (( segid "    " and resid 154  and name HG1 ))
      4.100     2.100     1.900 peak   416 spectrum    1 weight  0.10000E+01 volume  0.20036E-02 ppm1      8.745 ppm2      0.768 CV     1
 ASSI {  417}
   (( segid "    " and resid 115  and name HN  ))
   (( segid "    " and resid 99   and name HN  ))
      3.500     3.500     2.500 peak   417 spectrum    1 weight  0.10000E+01 volume  0.52091E-03 ppm1      8.653 ppm2      9.580 CV     1
 ASSI {  419}
   (( segid "    " and resid 115  and name HN  ))
   (( segid "    " and resid 114  and name HA  ))
      2.600     0.800     0.800 peak   419 spectrum    1 weight  0.10000E+01 volume  0.11880E-01 ppm1      8.654 ppm2      5.455 CV     1
 ASSI {  420}
   (( segid "    " and resid 115  and name HN  ))
   (( segid "    " and resid 100  and name HA  ))
      2.500     2.500     3.500 peak   420 spectrum    1 weight  0.10000E+01 volume  0.34471E-02 ppm1      8.652 ppm2      4.828 CV     1
 ASSI {  422}
   (( segid "    " and resid 115  and name HN  ))
   (( segid "    " and resid 99   and name HA  ))
      2.800     1.000     1.000 peak   422 spectrum    1 weight  0.10000E+01 volume  0.12221E-01 ppm1      8.653 ppm2      4.575 CV     1
 ASSI {  423}
   (( segid "    " and resid 115  and name HN  ))
   (( segid "    " and resid 113  and name HA  ))
      2.900     2.900     3.100 peak   423 spectrum    1 weight  0.10000E+01 volume  0.10151E-01 ppm1      8.655 ppm2      4.326 CV     1
 ASSI {  424}
   (( segid "    " and resid 115  and name HN  ))
   (( segid "    " and resid 114  and name HD1 ))
      5.500     3.800     0.500 peak   424 spectrum    1 weight  0.10000E+01 volume  0.47312E-03 ppm1      8.650 ppm2      4.153 CV     1
 ASSI {  425}
   (( segid "    " and resid 115  and name HN  ))
   (( segid "    " and resid 115  and name HB2 ))
      3.000     1.100     1.100 peak   425 spectrum    1 weight  0.10000E+01 volume  0.79638E-02 ppm1      8.655 ppm2      3.782 CV     1
 ASSI {  426}
   (( segid "    " and resid 115  and name HN  ))
   (( segid "    " and resid 118  and name HG2 ))
      5.300     3.500     0.700 peak   426 spectrum    1 weight  0.10000E+01 volume  0.48328E-03 ppm1      8.651 ppm2      3.320 CV     1
 OR {  426}
   (( segid "    " and resid 115  and name HN  ))
   (( segid "    " and resid 118  and name HG1 ))
 ASSI {  428}
   (( segid "    " and resid 115  and name HN  ))
   (( segid "    " and resid 114  and name HB2 ))
      4.400     2.500     1.600 peak   428 spectrum    1 weight  0.10000E+01 volume  0.39556E-02 ppm1      8.654 ppm2      2.855 CV     1
 ASSI {  430}
   (( segid "    " and resid 115  and name HN  ))
   (( segid "    " and resid 114  and name HB1 ))
      4.000     2.000     2.000 peak   430 spectrum    1 weight  0.10000E+01 volume  0.64414E-02 ppm1      8.652 ppm2      2.096 CV     1
 ASSI {  431}
   (( segid "    " and resid 115  and name HN  ))
   (( segid "    " and resid 118  and name HB1 ))
      3.500     1.500     1.500 peak   431 spectrum    1 weight  0.10000E+01 volume  0.61208E-02 ppm1      8.653 ppm2      1.959 CV     1
 OR {  431}
   (( segid "    " and resid 115  and name HN  ))
   (( segid "    " and resid 118  and name HB2 ))
 ASSI {  434}
   (( segid "    " and resid 115  and name HN  ))
   (( segid "    " and resid 117  and name HB1 ))
      3.400     3.400     2.600 peak   434 spectrum    1 weight  0.10000E+01 volume  0.61955E-02 ppm1      8.653 ppm2      0.880 CV     1
 ASSI {  442}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 18   and name HA  ))
      3.300     1.400     1.400 peak   442 spectrum    1 weight  0.10000E+01 volume  0.75665E-02 ppm1      8.479 ppm2      3.425 CV     1
 ASSI {  443}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 19   and name HB2 ))
      5.100     3.300     0.900 peak   443 spectrum    1 weight  0.10000E+01 volume  0.14761E-02 ppm1      8.480 ppm2      2.871 CV     1
 ASSI {  444}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 22   and name HG  ))
      3.800     1.800     1.800 peak   444 spectrum    1 weight  0.10000E+01 volume  0.65129E-02 ppm1      8.480 ppm2      1.921 CV     1
 ASSI {  452}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 11   and name HN  ))
      2.400     0.700     0.700 peak   452 spectrum    1 weight  0.10000E+01 volume  0.12440E-01 ppm1      8.457 ppm2      6.976 CV     1
 ASSI {  455}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 37   and name HN  ))
      4.300     2.400     1.700 peak   455 spectrum    1 weight  0.10000E+01 volume  0.34245E-02 ppm1      8.317 ppm2      9.131 CV     1
 ASSI {  459}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 35   and name HN  ))
      4.300     2.300     1.700 peak   459 spectrum    1 weight  0.10000E+01 volume  0.44476E-02 ppm1      8.316 ppm2      7.316 CV     1
 ASSI {  461}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 35   and name HA  ))
      2.200     0.600     0.600 peak   461 spectrum    1 weight  0.10000E+01 volume  0.56309E-01 ppm1      8.316 ppm2      4.624 CV     1
 ASSI {  462}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 35   and name HB  ))
      3.000     1.100     1.100 peak   462 spectrum    1 weight  0.10000E+01 volume  0.10506E-01 ppm1      8.315 ppm2      4.105 CV     1
 ASSI {  463}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 36   and name HB  ))
      2.500     0.800     0.800 peak   463 spectrum    1 weight  0.10000E+01 volume  0.24065E-01 ppm1      8.316 ppm2      1.960 CV     1
 ASSI {  464}
   (( segid "    " and resid 36   and name HN  ))
   (  segid "    " and resid 35   and name HG2%)
      3.300     3.300     2.700 peak   464 spectrum    1 weight  0.10000E+01 volume  0.34042E-01 ppm1      8.316 ppm2      1.288 CV     1
 ASSI {  468}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 26   and name HN  ))
      5.200     3.300     0.800 peak   468 spectrum    1 weight  0.10000E+01 volume  0.12222E-02 ppm1      7.163 ppm2      7.506 CV     1
 ASSI {  470}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 24   and name HA  ))
      6.000     4.700     0.000 peak   470 spectrum    1 weight  0.10000E+01 volume  0.46180E-03 ppm1      7.163 ppm2      4.202 CV     1
 ASSI {  471}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 27   and name HB2 ))
      4.500     2.600     1.500 peak   471 spectrum    1 weight  0.10000E+01 volume  0.44357E-02 ppm1      7.164 ppm2      2.938 CV     1
 ASSI {  472}
   (( segid "    " and resid 28   and name HN  ))
   (  segid "    " and resid 28   and name HG2%)
      3.500     1.500     1.500 peak   472 spectrum    1 weight  0.10000E+01 volume  0.19427E-01 ppm1      7.161 ppm2      0.618 CV     1
 ASSI {  475}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 27   and name HA  ))
      3.400     1.500     1.500 peak   475 spectrum    1 weight  0.10000E+01 volume  0.76566E-02 ppm1      7.160 ppm2      4.947 CV     1
 ASSI {  476}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 28   and name HA  ))
      2.400     0.700     0.700 peak   476 spectrum    1 weight  0.10000E+01 volume  0.21476E-01 ppm1      7.160 ppm2      3.821 CV     1
 ASSI {  477}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 31   and name HB2 ))
      4.000     2.000     2.000 peak   477 spectrum    1 weight  0.10000E+01 volume  0.55317E-02 ppm1      7.160 ppm2      3.628 CV     1
 OR {  477}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 31   and name HB1 ))
 ASSI {  479}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 27   and name HB1 ))
      3.500     1.600     1.600 peak   479 spectrum    1 weight  0.10000E+01 volume  0.62304E-02 ppm1      7.160 ppm2      2.592 CV     1
 ASSI {  480}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 28   and name HG12))
      2.900     1.100     1.100 peak   480 spectrum    1 weight  0.10000E+01 volume  0.92118E-02 ppm1      7.160 ppm2      2.088 CV     1
 OR {  480}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 28   and name HG11))
 ASSI {  481}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 28   and name HB  ))
      2.400     0.700     0.700 peak   481 spectrum    1 weight  0.10000E+01 volume  0.18199E-01 ppm1      7.160 ppm2      1.576 CV     1
 ASSI {  482}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 25   and name HB2 ))
      5.200     3.400     0.800 peak   482 spectrum    1 weight  0.10000E+01 volume  0.12662E-02 ppm1      7.159 ppm2      1.181 CV     1
 ASSI {  485}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 63   and name HN  ))
      2.100     0.500     0.500 peak   485 spectrum    1 weight  0.10000E+01 volume  0.15674E-01 ppm1      8.545 ppm2      8.255 CV     1
 ASSI {  486}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 31   and name HN  ))
      5.900     4.300     0.100 peak   486 spectrum    1 weight  0.10000E+01 volume  0.66294E-03 ppm1      8.544 ppm2      7.252 CV     1
 ASSI {  488}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 62   and name HA  ))
      3.900     1.900     1.900 peak   488 spectrum    1 weight  0.10000E+01 volume  0.67182E-02 ppm1      8.547 ppm2      5.522 CV     1
 ASSI {  489}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 63   and name HA  ))
      3.500     1.600     1.600 peak   489 spectrum    1 weight  0.10000E+01 volume  0.40795E-02 ppm1      8.544 ppm2      4.993 CV     1
 ASSI {  494}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 63   and name HB2 ))
      3.900     1.900     1.900 peak   494 spectrum    1 weight  0.10000E+01 volume  0.47560E-02 ppm1      8.544 ppm2      4.051 CV     1
 OR {  494}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 63   and name HB1 ))
 ASSI {  495}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 62   and name HB  ))
      4.000     2.000     2.000 peak   495 spectrum    1 weight  0.10000E+01 volume  0.40838E-02 ppm1      8.546 ppm2      3.845 CV     1
 ASSI {  497}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 31   and name HB1 ))
      4.900     3.000     1.100 peak   497 spectrum    1 weight  0.10000E+01 volume  0.19388E-02 ppm1      8.545 ppm2      3.615 CV     1
 OR {  497}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 31   and name HB2 ))
 ASSI {  499}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 30   and name HG2 ))
      5.300     3.500     0.700 peak   499 spectrum    1 weight  0.10000E+01 volume  0.27730E-02 ppm1      8.545 ppm2      2.182 CV     1
 ASSI {  500}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 30   and name HB2 ))
      3.400     1.500     1.500 peak   500 spectrum    1 weight  0.10000E+01 volume  0.38322E-02 ppm1      8.545 ppm2      1.993 CV     1
 ASSI {  501}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 64   and name HB2 ))
      2.200     0.600     0.600 peak   501 spectrum    1 weight  0.10000E+01 volume  0.11503E-01 ppm1      8.546 ppm2      1.741 CV     1
 ASSI {  502}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 64   and name HB1 ))
      2.500     0.800     0.800 peak   502 spectrum    1 weight  0.10000E+01 volume  0.23722E-01 ppm1      8.544 ppm2      1.483 CV     1
 ASSI {  503}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 60   and name HG  ))
      5.000     3.100     1.000 peak   503 spectrum    1 weight  0.10000E+01 volume  0.41411E-02 ppm1      8.544 ppm2      1.301 CV     1
 ASSI {  504}
   (( segid "    " and resid 64   and name HN  ))
   (  segid "    " and resid 62   and name HG2%)
      3.300     1.300     1.300 peak   504 spectrum    1 weight  0.10000E+01 volume  0.10828E-01 ppm1      8.547 ppm2      1.103 CV     1
 ASSI {  505}
   (( segid "    " and resid 64   and name HN  ))
   (  segid "    " and resid 64   and name HD2%)
      3.300     1.400     1.400 peak   505 spectrum    1 weight  0.10000E+01 volume  0.23592E-01 ppm1      8.544 ppm2      0.729 CV     1
 OR {  505}
   (( segid "    " and resid 64   and name HN  ))
   (  segid "    " and resid 64   and name HD1%)
 ASSI {  506}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 18   and name HN  ))
      4.600     2.600     1.400 peak   506 spectrum    1 weight  0.10000E+01 volume  0.18193E-02 ppm1      8.145 ppm2      8.732 CV     1
 ASSI {  507}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 21   and name HN  ))
      2.400     0.700     0.700 peak   507 spectrum    1 weight  0.10000E+01 volume  0.22464E-01 ppm1      8.146 ppm2      8.483 CV     1
 ASSI {  510}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 23   and name HN  ))
      3.700     1.700     1.700 peak   510 spectrum    1 weight  0.10000E+01 volume  0.68762E-02 ppm1      8.145 ppm2      7.421 CV     1
 ASSI {  511}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 19   and name HD22))
      3.100     3.100     2.900 peak   511 spectrum    1 weight  0.10000E+01 volume  0.96248E-03 ppm1      8.145 ppm2      6.786 CV     1
 ASSI {  512}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 19   and name HA  ))
      3.600     1.600     1.600 peak   512 spectrum    1 weight  0.10000E+01 volume  0.60359E-02 ppm1      8.146 ppm2      4.585 CV     1
 ASSI {  515}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 18   and name HA  ))
      4.300     2.300     1.700 peak   515 spectrum    1 weight  0.10000E+01 volume  0.25869E-02 ppm1      8.146 ppm2      3.423 CV     1
 ASSI {  516}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 19   and name HB2 ))
      2.500     0.800     0.800 peak   516 spectrum    1 weight  0.10000E+01 volume  0.11009E-01 ppm1      8.145 ppm2      2.848 CV     1
 ASSI {  517}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 19   and name HB1 ))
      3.500     1.500     1.500 peak   517 spectrum    1 weight  0.10000E+01 volume  0.11026E-01 ppm1      8.145 ppm2      2.681 CV     1
 ASSI {  519}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 17   and name HB1 ))
      4.300     2.300     1.700 peak   519 spectrum    1 weight  0.10000E+01 volume  0.43274E-02 ppm1      8.145 ppm2      2.132 CV     1
 OR {  519}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 17   and name HB2 ))
 ASSI {  520}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 23   and name HB2 ))
      4.300     2.300     1.700 peak   520 spectrum    1 weight  0.10000E+01 volume  0.45384E-02 ppm1      8.144 ppm2      1.954 CV     1
 OR {  520}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 23   and name HB1 ))
 ASSI {  528}
   (( segid "    " and resid 117  and name HN  ))
   (( segid "    " and resid 124  and name HB2 ))
      6.000     6.000     0.000 peak   528 spectrum    1 weight  0.10000E+01 volume  0.93815E-03 ppm1      8.019 ppm2      2.155 CV     1
 OR {  528}
   (( segid "    " and resid 117  and name HN  ))
   (( segid "    " and resid 124  and name HB1 ))
 ASSI {  531}
   (( segid "    " and resid 86   and name HN  ))
   (( segid "    " and resid 85   and name HA  ))
      2.900     1.000     1.000 peak   531 spectrum    1 weight  0.10000E+01 volume  0.15599E-01 ppm1      7.742 ppm2      4.434 CV     1
 ASSI {  532}
   (( segid "    " and resid 86   and name HN  ))
   (( segid "    " and resid 86   and name HA  ))
      3.000     1.100     1.100 peak   532 spectrum    1 weight  0.10000E+01 volume  0.12350E-01 ppm1      7.741 ppm2      4.306 CV     1
 ASSI {  534}
   (( segid "    " and resid 86   and name HN  ))
   (( segid "    " and resid 85   and name HB2 ))
      3.400     1.400     1.400 peak   534 spectrum    1 weight  0.10000E+01 volume  0.81136E-02 ppm1      7.742 ppm2      1.985 CV     1
 ASSI {  535}
   (( segid "    " and resid 86   and name HN  ))
   (( segid "    " and resid 85   and name HB1 ))
      3.300     1.300     1.300 peak   535 spectrum    1 weight  0.10000E+01 volume  0.68416E-02 ppm1      7.741 ppm2      1.776 CV     1
 ASSI {  541}
   (( segid "    " and resid 142  and name HN  ))
   (( segid "    " and resid 142  and name HA  ))
      2.500     0.800     0.800 peak   541 spectrum    1 weight  0.10000E+01 volume  0.80965E-02 ppm1      9.275 ppm2      4.790 CV     1
 ASSI {  542}
   (( segid "    " and resid 142  and name HN  ))
   (( segid "    " and resid 141  and name HA  ))
      1.900     1.900     4.100 peak   542 spectrum    1 weight  0.10000E+01 volume  0.42243E-01 ppm1      9.272 ppm2      4.288 CV     1
 ASSI {  543}
   (( segid "    " and resid 142  and name HN  ))
   (( segid "    " and resid 143  and name HA  ))
      5.500     3.800     0.500 peak   543 spectrum    1 weight  0.10000E+01 volume  0.65945E-03 ppm1      9.273 ppm2      4.108 CV     1
 ASSI {  544}
   (( segid "    " and resid 142  and name HN  ))
   (( segid "    " and resid 142  and name HG2 ))
      3.200     1.300     1.300 peak   544 spectrum    1 weight  0.10000E+01 volume  0.91313E-02 ppm1      9.272 ppm2      2.815 CV     1
 ASSI {  545}
   (( segid "    " and resid 142  and name HN  ))
   (( segid "    " and resid 142  and name HB2 ))
      2.300     0.600     0.600 peak   545 spectrum    1 weight  0.10000E+01 volume  0.22906E-01 ppm1      9.273 ppm2      2.270 CV     1
 ASSI {  546}
   (( segid "    " and resid 142  and name HN  ))
   (( segid "    " and resid 141  and name HG2 ))
      2.700     0.900     0.900 peak   546 spectrum    1 weight  0.10000E+01 volume  0.23071E-01 ppm1      9.272 ppm2      2.079 CV     1
 ASSI {  548}
   (( segid "    " and resid 142  and name HN  ))
   (( segid "    " and resid 146  and name HG12))
      5.000     3.200     1.000 peak   548 spectrum    1 weight  0.10000E+01 volume  0.16427E-02 ppm1      9.274 ppm2      1.605 CV     1
 ASSI {  553}
   (( segid "    " and resid 142  and name HN  ))
   (( segid "    " and resid 142  and name HG1 ))
      2.600     0.900     0.900 peak   553 spectrum    1 weight  0.10000E+01 volume  0.71432E-02 ppm1      9.270 ppm2      2.659 CV     1
 ASSI {  554}
   (( segid "    " and resid 142  and name HN  ))
   (( segid "    " and resid 145  and name HG1 ))
      4.100     2.100     1.900 peak   554 spectrum    1 weight  0.10000E+01 volume  0.42487E-02 ppm1      9.268 ppm2      2.477 CV     1
 OR {  554}
   (( segid "    " and resid 142  and name HN  ))
   (( segid "    " and resid 145  and name HG2 ))
 ASSI {  555}
   (( segid "    " and resid 117  and name HN  ))
   (( segid "    " and resid 116  and name HN  ))
      5.200     3.400     0.800 peak   555 spectrum    1 weight  0.10000E+01 volume  0.89954E-03 ppm1      8.015 ppm2      8.410 CV     1
 ASSI {  559}
   (( segid "    " and resid 117  and name HN  ))
   (( segid "    " and resid 120  and name HD22))
      3.400     1.500     1.500 peak   559 spectrum    1 weight  0.10000E+01 volume  0.56441E-02 ppm1      8.011 ppm2      6.889 CV     1
 ASSI {  560}
   (( segid "    " and resid 117  and name HN  ))
   (  segid "    " and resid 116  and name HD% )
      4.200     2.200     1.800 peak   560 spectrum    1 weight  0.10000E+01 volume  0.52074E-02 ppm1      8.011 ppm2      6.640 CV     1
 ASSI {  561}
   (( segid "    " and resid 117  and name HN  ))
   (( segid "    " and resid 117  and name HA  ))
      3.200     1.300     1.300 peak   561 spectrum    1 weight  0.10000E+01 volume  0.48783E-02 ppm1      8.011 ppm2      5.085 CV     1
 ASSI {  563}
   (( segid "    " and resid 117  and name HN  ))
   (( segid "    " and resid 118  and name HA  ))
      5.700     4.100     0.300 peak   563 spectrum    1 weight  0.10000E+01 volume  0.80257E-03 ppm1      8.011 ppm2      3.869 CV     1
 ASSI {  564}
   (( segid "    " and resid 117  and name HN  ))
   (( segid "    " and resid 118  and name HG2 ))
      4.700     2.700     1.300 peak   564 spectrum    1 weight  0.10000E+01 volume  0.14440E-02 ppm1      8.008 ppm2      3.322 CV     1
 OR {  564}
   (( segid "    " and resid 117  and name HN  ))
   (( segid "    " and resid 118  and name HG1 ))
 ASSI {  567}
   (( segid "    " and resid 117  and name HN  ))
   (( segid "    " and resid 119  and name HG1 ))
      4.500     2.500     1.500 peak   567 spectrum    1 weight  0.10000E+01 volume  0.18321E-02 ppm1      8.012 ppm2      1.337 CV     1
 ASSI {  568}
   (( segid "    " and resid 117  and name HN  ))
   (( segid "    " and resid 117  and name HB1 ))
      3.500     1.500     1.500 peak   568 spectrum    1 weight  0.10000E+01 volume  0.63381E-02 ppm1      8.010 ppm2      0.873 CV     1
 ASSI {  569}
   (( segid "    " and resid 117  and name HN  ))
   (( segid "    " and resid 116  and name HA  ))
      4.200     2.200     1.800 peak   569 spectrum    1 weight  0.10000E+01 volume  0.53700E-03 ppm1      8.004 ppm2      4.204 CV     1
 ASSI {  581}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 40   and name HN  ))
      3.300     1.400     1.400 peak   581 spectrum    1 weight  0.10000E+01 volume  0.48903E-02 ppm1      9.401 ppm2      9.109 CV     1
 ASSI {  582}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 158  and name HE3 ))
      3.200     3.200     2.800 peak   582 spectrum    1 weight  0.10000E+01 volume  0.89262E-03 ppm1      9.409 ppm2      7.396 CV     1
 ASSI {  585}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 55   and name HA  ))
      3.500     1.500     1.500 peak   585 spectrum    1 weight  0.10000E+01 volume  0.34185E-02 ppm1      9.405 ppm2      6.220 CV     1
 ASSI {  586}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 54   and name HA  ))
      2.500     0.800     0.800 peak   586 spectrum    1 weight  0.10000E+01 volume  0.13845E-01 ppm1      9.405 ppm2      5.479 CV     1
 ASSI {  589}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 40   and name HB2 ))
      3.500     1.500     1.500 peak   589 spectrum    1 weight  0.10000E+01 volume  0.20924E-02 ppm1      9.404 ppm2      3.065 CV     1
 ASSI {  592}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 54   and name HB2 ))
      4.100     2.100     1.900 peak   592 spectrum    1 weight  0.10000E+01 volume  0.78854E-02 ppm1      9.409 ppm2      0.958 CV     1
 ASSI {  593}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 54   and name HB1 ))
      5.500     3.800     0.500 peak   593 spectrum    1 weight  0.10000E+01 volume  0.10096E-02 ppm1      9.403 ppm2      0.375 CV     1
 ASSI {  595}
   (( segid "    " and resid 55   and name HN  ))
   (  segid "    " and resid 54   and name HD1%)
      4.400     2.400     1.600 peak   595 spectrum    1 weight  0.10000E+01 volume  0.25691E-02 ppm1      9.405 ppm2     -0.641 CV     1
 ASSI {  597}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 41   and name HA  ))
      4.500     2.500     1.500 peak   597 spectrum    1 weight  0.10000E+01 volume  0.15123E-02 ppm1      9.396 ppm2      6.067 CV     1
 ASSI {  600}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 58   and name HA  ))
      2.800     1.000     1.000 peak   600 spectrum    1 weight  0.10000E+01 volume  0.12638E-01 ppm1      9.128 ppm2      5.039 CV     1
 ASSI {  601}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 36   and name HA  ))
      2.300     0.600     0.600 peak   601 spectrum    1 weight  0.10000E+01 volume  0.25924E-01 ppm1      9.129 ppm2      4.835 CV     1
 ASSI {  603}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 37   and name HA  ))
      3.200     1.300     1.300 peak   603 spectrum    1 weight  0.10000E+01 volume  0.63369E-02 ppm1      9.128 ppm2      4.265 CV     1
 ASSI {  604}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 37   and name HB2 ))
      3.200     1.200     1.200 peak   604 spectrum    1 weight  0.10000E+01 volume  0.86408E-02 ppm1      9.128 ppm2      4.077 CV     1
 ASSI {  606}
   (( segid "    " and resid 37   and name HN  ))
   (  segid "    " and resid 36   and name HG2%)
      3.200     1.300     1.300 peak   606 spectrum    1 weight  0.10000E+01 volume  0.21601E-01 ppm1      9.129 ppm2      1.353 CV     1
 ASSI {  607}
   (( segid "    " and resid 37   and name HN  ))
   (  segid "    " and resid 36   and name HG1%)
      3.100     1.200     1.200 peak   607 spectrum    1 weight  0.10000E+01 volume  0.11404E-01 ppm1      9.128 ppm2      1.105 CV     1
 ASSI {  611}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 38   and name HN  ))
      4.600     2.600     1.400 peak   611 spectrum    1 weight  0.10000E+01 volume  0.18131E-02 ppm1      9.125 ppm2      9.296 CV     1
 ASSI {  614}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 82   and name HD2 ))
      5.500     3.800     0.500 peak   614 spectrum    1 weight  0.10000E+01 volume  0.20274E-02 ppm1      8.212 ppm2      3.345 CV     1
 ASSI {  618}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 57   and name HA  ))
      3.900     1.900     1.900 peak   618 spectrum    1 weight  0.10000E+01 volume  0.38135E-02 ppm1      8.978 ppm2      5.667 CV     1
 ASSI {  622}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 96   and name HB1 ))
      4.300     2.300     1.700 peak   622 spectrum    1 weight  0.10000E+01 volume  0.44014E-02 ppm1      8.982 ppm2      0.973 CV     1
 ASSI {  625}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 66   and name HD1 ))
      4.800     2.900     1.200 peak   625 spectrum    1 weight  0.10000E+01 volume  0.22363E-02 ppm1      8.391 ppm2      3.404 CV     1
 ASSI {  628}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 81   and name HN  ))
      2.600     0.900     0.900 peak   628 spectrum    1 weight  0.10000E+01 volume  0.12941E-01 ppm1      8.212 ppm2      7.931 CV     1
 ASSI {  629}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 80   and name HN  ))
      4.400     2.400     1.600 peak   629 spectrum    1 weight  0.10000E+01 volume  0.32917E-02 ppm1      8.215 ppm2      7.638 CV     1
 ASSI {  631}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 81   and name HA1 ))
      3.900     1.900     1.900 peak   631 spectrum    1 weight  0.10000E+01 volume  0.75348E-02 ppm1      8.211 ppm2      3.823 CV     1
 ASSI {  632}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 82   and name HD1 ))
      4.800     2.900     1.200 peak   632 spectrum    1 weight  0.10000E+01 volume  0.22305E-02 ppm1      8.210 ppm2      3.516 CV     1
 ASSI {  633}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 77   and name HB1 ))
      5.100     3.200     0.900 peak   633 spectrum    1 weight  0.10000E+01 volume  0.10592E-02 ppm1      8.213 ppm2      2.597 CV     1
 ASSI {  635}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 82   and name HB1 ))
      2.400     0.700     0.700 peak   635 spectrum    1 weight  0.10000E+01 volume  0.24540E-01 ppm1      8.213 ppm2      1.586 CV     1
 OR {  635}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 82   and name HB2 ))
 ASSI {  636}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 82   and name HG1 ))
      3.800     1.800     1.800 peak   636 spectrum    1 weight  0.10000E+01 volume  0.88227E-02 ppm1      8.211 ppm2      1.403 CV     1
 ASSI {  637}
   (( segid "    " and resid 82   and name HN  ))
   (  segid "    " and resid 93   and name HG2%)
      4.700     2.800     1.300 peak   637 spectrum    1 weight  0.10000E+01 volume  0.26519E-02 ppm1      8.214 ppm2      1.224 CV     1
 ASSI {  641}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 38   and name HN  ))
      4.200     2.200     1.800 peak   641 spectrum    1 weight  0.10000E+01 volume  0.50878E-02 ppm1      9.499 ppm2      9.320 CV     1
 ASSI {  643}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 56   and name HN  ))
      4.800     2.900     1.200 peak   643 spectrum    1 weight  0.10000E+01 volume  0.84259E-03 ppm1      9.497 ppm2      8.938 CV     1
 ASSI {  645}
   (( segid "    " and resid 57   and name HN  ))
   (  segid "    " and resid 40   and name HD% )
      3.500     1.500     1.500 peak   645 spectrum    1 weight  0.10000E+01 volume  0.13291E-01 ppm1      9.500 ppm2      7.033 CV     1
 ASSI {  647}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 57   and name HA  ))
      3.000     1.200     1.200 peak   647 spectrum    1 weight  0.10000E+01 volume  0.53746E-02 ppm1      9.497 ppm2      5.663 CV     1
 ASSI {  648}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 37   and name HB1 ))
      3.300     1.400     1.400 peak   648 spectrum    1 weight  0.10000E+01 volume  0.58342E-02 ppm1      9.500 ppm2      5.116 CV     1
 ASSI {  649}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 56   and name HA  ))
      2.100     0.500     0.500 peak   649 spectrum    1 weight  0.10000E+01 volume  0.21120E-01 ppm1      9.499 ppm2      4.921 CV     1
 ASSI {  650}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 127  and name HA  ))
      5.200     3.400     0.800 peak   650 spectrum    1 weight  0.10000E+01 volume  0.23008E-02 ppm1      9.499 ppm2      4.526 CV     1
 ASSI {  652}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 127  and name HB1 ))
      2.700     0.900     0.900 peak   652 spectrum    1 weight  0.10000E+01 volume  0.53239E-02 ppm1      9.501 ppm2      2.696 CV     1
 ASSI {  653}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 127  and name HB2 ))
      2.200     0.600     0.600 peak   653 spectrum    1 weight  0.10000E+01 volume  0.53029E-02 ppm1      9.499 ppm2      1.952 CV     1
 ASSI {  654}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 127  and name HG1 ))
      4.900     3.000     1.100 peak   654 spectrum    1 weight  0.10000E+01 volume  0.19416E-02 ppm1      9.499 ppm2      1.576 CV     1
 ASSI {  657}
   (( segid "    " and resid 57   and name HN  ))
   (  segid "    " and resid 131  and name HG2%)
      3.700     1.700     1.700 peak   657 spectrum    1 weight  0.10000E+01 volume  0.64417E-02 ppm1      9.498 ppm2      0.837 CV     1
 ASSI {  660}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 54   and name HA  ))
      5.400     3.700     0.600 peak   660 spectrum    1 weight  0.10000E+01 volume  0.50989E-03 ppm1      9.114 ppm2      5.467 CV     1
 ASSI {  661}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 41   and name HN  ))
      5.200     3.400     0.800 peak   661 spectrum    1 weight  0.10000E+01 volume  0.92551E-03 ppm1      9.114 ppm2      8.830 CV     1
 ASSI {  663}
   (( segid "    " and resid 40   and name HN  ))
   (  segid "    " and resid 40   and name HD% )
      2.300     0.600     0.600 peak   663 spectrum    1 weight  0.10000E+01 volume  0.22106E-01 ppm1      9.111 ppm2      7.021 CV     1
 ASSI {  667}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 39   and name HB1 ))
      4.100     2.100     1.900 peak   667 spectrum    1 weight  0.10000E+01 volume  0.48855E-02 ppm1      9.112 ppm2      3.359 CV     1
 ASSI {  669}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 40   and name HB1 ))
      3.400     1.400     1.400 peak   669 spectrum    1 weight  0.10000E+01 volume  0.12063E-01 ppm1      9.111 ppm2      2.704 CV     1
 ASSI {  673}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 6    and name HA  ))
      2.700     0.900     0.900 peak   673 spectrum    1 weight  0.10000E+01 volume  0.12418E-01 ppm1      8.978 ppm2      5.034 CV     1
 ASSI {  674}
   (( segid "    " and resid 7    and name HN  ))
   (  segid "    " and resid 6    and name HB% )
      3.700     1.700     1.700 peak   674 spectrum    1 weight  0.10000E+01 volume  0.55865E-02 ppm1      8.980 ppm2      1.763 CV     1
 ASSI {  675}
   (( segid "    " and resid 7    and name HN  ))
   (  segid "    " and resid 56   and name HB% )
      3.400     3.400     2.600 peak   675 spectrum    1 weight  0.10000E+01 volume  0.17280E-01 ppm1      8.977 ppm2      1.440 CV     1
 ASSI {  676}
   (( segid "    " and resid 7    and name HN  ))
   (  segid "    " and resid 7    and name HG2%)
      3.600     1.600     1.600 peak   676 spectrum    1 weight  0.10000E+01 volume  0.12041E-01 ppm1      8.979 ppm2      0.806 CV     1
 ASSI {  678}
   (( segid "    " and resid 157  and name HN  ))
   (( segid "    " and resid 156  and name HN  ))
      4.600     2.700     1.400 peak   678 spectrum    1 weight  0.10000E+01 volume  0.32057E-02 ppm1      8.785 ppm2      9.311 CV     1
 ASSI {  680}
   (( segid "    " and resid 157  and name HN  ))
   (  segid "    " and resid 40   and name HD% )
      3.500     1.600     1.600 peak   680 spectrum    1 weight  0.10000E+01 volume  0.33984E-02 ppm1      8.783 ppm2      7.047 CV     1
 ASSI {  681}
   (( segid "    " and resid 157  and name HN  ))
   (( segid "    " and resid 40   and name HA  ))
      4.700     2.800     1.300 peak   681 spectrum    1 weight  0.10000E+01 volume  0.22180E-02 ppm1      8.785 ppm2      5.254 CV     1
 ASSI {  682}
   (( segid "    " and resid 157  and name HN  ))
   (( segid "    " and resid 156  and name HA  ))
      2.000     0.500     0.500 peak   682 spectrum    1 weight  0.10000E+01 volume  0.52930E-01 ppm1      8.785 ppm2      4.941 CV     1
 ASSI {  683}
   (( segid "    " and resid 157  and name HN  ))
   (( segid "    " and resid 157  and name HA  ))
      2.600     0.800     0.800 peak   683 spectrum    1 weight  0.10000E+01 volume  0.10232E-01 ppm1      8.785 ppm2      4.488 CV     1
 ASSI {  684}
   (( segid "    " and resid 157  and name HN  ))
   (( segid "    " and resid 156  and name HB2 ))
      3.300     1.300     1.300 peak   684 spectrum    1 weight  0.10000E+01 volume  0.27244E-01 ppm1      8.785 ppm2      2.862 CV     1
 OR {  684}
   (( segid "    " and resid 157  and name HN  ))
   (( segid "    " and resid 156  and name HB1 ))
 ASSI {  685}
   (( segid "    " and resid 157  and name HN  ))
   (( segid "    " and resid 157  and name HB2 ))
      2.600     0.800     0.800 peak   685 spectrum    1 weight  0.10000E+01 volume  0.14167E-01 ppm1      8.785 ppm2      1.992 CV     1
 ASSI {  686}
   (( segid "    " and resid 157  and name HN  ))
   (( segid "    " and resid 157  and name HB1 ))
      3.100     1.200     1.200 peak   686 spectrum    1 weight  0.10000E+01 volume  0.27763E-01 ppm1      8.785 ppm2      1.824 CV     1
 ASSI {  687}
   (( segid "    " and resid 157  and name HN  ))
   (( segid "    " and resid 157  and name HG1 ))
      2.200     2.200     3.800 peak   687 spectrum    1 weight  0.10000E+01 volume  0.28598E-01 ppm1      8.785 ppm2      1.632 CV     1
 ASSI {  688}
   (( segid "    " and resid 157  and name HN  ))
   (( segid "    " and resid 157  and name HG2 ))
      3.100     1.200     1.200 peak   688 spectrum    1 weight  0.10000E+01 volume  0.14169E-01 ppm1      8.785 ppm2      1.299 CV     1
 ASSI {  692}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 65   and name HA  ))
      2.600     0.900     0.900 peak   692 spectrum    1 weight  0.10000E+01 volume  0.11500E-01 ppm1      8.387 ppm2      4.612 CV     1
 ASSI {  695}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 63   and name HB1 ))
      4.300     2.300     1.700 peak   695 spectrum    1 weight  0.10000E+01 volume  0.15691E-03 ppm1      8.388 ppm2      4.061 CV     1
 OR {  695}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 63   and name HB2 ))
 ASSI {  696}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 68   and name HG2 ))
      5.100     3.300     0.900 peak   696 spectrum    1 weight  0.10000E+01 volume  0.51732E-02 ppm1      8.386 ppm2      2.405 CV     1
 OR {  696}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 68   and name HG1 ))
 ASSI {  697}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 69   and name HB2 ))
      3.300     1.400     1.400 peak   697 spectrum    1 weight  0.10000E+01 volume  0.12881E-01 ppm1      8.387 ppm2      2.215 CV     1
 ASSI {  702}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 64   and name HG  ))
      3.500     1.500     1.500 peak   702 spectrum    1 weight  0.10000E+01 volume  0.18896E-01 ppm1      8.388 ppm2      0.743 CV     1
 ASSI {  703}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 66   and name HD2 ))
      4.800     2.900     1.200 peak   703 spectrum    1 weight  0.10000E+01 volume  0.19115E-02 ppm1      8.384 ppm2      3.626 CV     1
 ASSI {  706}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 30   and name HG2 ))
      5.100     3.300     0.900 peak   706 spectrum    1 weight  0.10000E+01 volume  0.34385E-02 ppm1      8.261 ppm2      2.175 CV     1
 ASSI {  708}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 64   and name HB2 ))
      3.800     1.800     1.800 peak   708 spectrum    1 weight  0.10000E+01 volume  0.70357E-02 ppm1      8.245 ppm2      1.778 CV     1
 ASSI {  710}
   (( segid "    " and resid 146  and name HN  ))
   (( segid "    " and resid 147  and name HN  ))
      2.500     0.800     0.800 peak   710 spectrum    1 weight  0.10000E+01 volume  0.10220E-01 ppm1      7.881 ppm2      7.464 CV     1
 ASSI {  712}
   (( segid "    " and resid 146  and name HN  ))
   (( segid "    " and resid 145  and name HN  ))
      2.300     0.700     0.700 peak   712 spectrum    1 weight  0.10000E+01 volume  0.13441E-01 ppm1      7.880 ppm2      6.770 CV     1
 ASSI {  713}
   (( segid "    " and resid 146  and name HN  ))
   (( segid "    " and resid 142  and name HA  ))
      4.300     2.300     1.700 peak   713 spectrum    1 weight  0.10000E+01 volume  0.26461E-02 ppm1      7.884 ppm2      4.802 CV     1
 ASSI {  714}
   (( segid "    " and resid 146  and name HN  ))
   (( segid "    " and resid 145  and name HA  ))
      3.500     1.500     1.500 peak   714 spectrum    1 weight  0.10000E+01 volume  0.37761E-02 ppm1      7.879 ppm2      4.251 CV     1
 ASSI {  715}
   (( segid "    " and resid 146  and name HN  ))
   (( segid "    " and resid 143  and name HA  ))
      3.600     1.600     1.600 peak   715 spectrum    1 weight  0.10000E+01 volume  0.38227E-02 ppm1      7.880 ppm2      4.078 CV     1
 ASSI {  716}
   (( segid "    " and resid 146  and name HN  ))
   (( segid "    " and resid 146  and name HA  ))
      2.900     1.100     1.100 peak   716 spectrum    1 weight  0.10000E+01 volume  0.80507E-02 ppm1      7.881 ppm2      3.658 CV     1
 ASSI {  717}
   (( segid "    " and resid 146  and name HN  ))
   (( segid "    " and resid 144  and name HA  ))
      4.900     3.000     1.100 peak   717 spectrum    1 weight  0.10000E+01 volume  0.43004E-03 ppm1      7.881 ppm2      3.518 CV     1
 ASSI {  720}
   (( segid "    " and resid 146  and name HN  ))
   (( segid "    " and resid 141  and name HG2 ))
      4.100     2.100     1.900 peak   720 spectrum    1 weight  0.10000E+01 volume  0.51836E-02 ppm1      7.883 ppm2      2.085 CV     1
 ASSI {  721}
   (( segid "    " and resid 146  and name HN  ))
   (( segid "    " and resid 146  and name HB  ))
      2.500     0.800     0.800 peak   721 spectrum    1 weight  0.10000E+01 volume  0.15933E-01 ppm1      7.880 ppm2      1.780 CV     1
 ASSI {  723}
   (( segid "    " and resid 146  and name HN  ))
   (( segid "    " and resid 146  and name HG11))
      2.000     0.500     0.500 peak   723 spectrum    1 weight  0.10000E+01 volume  0.15483E-01 ppm1      7.880 ppm2      0.965 CV     1
 ASSI {  724}
   (( segid "    " and resid 146  and name HN  ))
   (  segid "    " and resid 146  and name HG2%)
      3.800     1.800     1.800 peak   724 spectrum    1 weight  0.10000E+01 volume  0.97031E-02 ppm1      7.881 ppm2      0.739 CV     1
 ASSI {  725}
   (( segid "    " and resid 146  and name HN  ))
   (  segid "    " and resid 125  and name HD2%)
      4.000     2.000     2.000 peak   725 spectrum    1 weight  0.10000E+01 volume  0.94373E-02 ppm1      7.882 ppm2      0.459 CV     1
 OR {  725}
   (( segid "    " and resid 146  and name HN  ))
   (  segid "    " and resid 125  and name HD1%)
 ASSI {  729}
   (( segid "    " and resid 135  and name HN  ))
   (( segid "    " and resid 136  and name HB  ))
      6.000     6.000     0.000 peak   729 spectrum    1 weight  0.10000E+01 volume  0.13792E-03 ppm1      7.220 ppm2      1.970 CV     1
 ASSI {  731}
   (( segid "    " and resid 135  and name HN  ))
   (  segid "    " and resid 135  and name HD1%)
      4.500     2.500     1.500 peak   731 spectrum    1 weight  0.10000E+01 volume  0.60166E-02 ppm1      7.219 ppm2      0.366 CV     1
 ASSI {  732}
   (( segid "    " and resid 135  and name HN  ))
   (  segid "    " and resid 135  and name HD2%)
      4.700     2.700     1.300 peak   732 spectrum    1 weight  0.10000E+01 volume  0.38357E-02 ppm1      7.218 ppm2      0.116 CV     1
 ASSI {  733}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 53   and name HN  ))
      5.500     3.800     0.500 peak   733 spectrum    1 weight  0.10000E+01 volume  0.90430E-03 ppm1      8.557 ppm2      8.851 CV     1
 ASSI {  736}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 10   and name HD21))
      4.500     2.500     1.500 peak   736 spectrum    1 weight  0.10000E+01 volume  0.37288E-02 ppm1      8.563 ppm2      6.494 CV     1
 ASSI {  737}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 53   and name HB1 ))
      5.300     3.500     0.700 peak   737 spectrum    1 weight  0.10000E+01 volume  0.80892E-03 ppm1      8.557 ppm2      2.887 CV     1
 ASSI {  738}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 53   and name HB2 ))
      2.700     0.900     0.900 peak   738 spectrum    1 weight  0.10000E+01 volume  0.67328E-02 ppm1      8.556 ppm2      2.234 CV     1
 ASSI {  739}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 14   and name HB1 ))
      4.300     2.300     1.700 peak   739 spectrum    1 weight  0.10000E+01 volume  0.49114E-03 ppm1      8.559 ppm2      1.865 CV     1
 ASSI {  740}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 54   and name HB2 ))
      3.100     1.200     1.200 peak   740 spectrum    1 weight  0.10000E+01 volume  0.61088E-02 ppm1      8.556 ppm2      0.958 CV     1
 ASSI {  741}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 54   and name HB1 ))
      3.100     1.200     1.200 peak   741 spectrum    1 weight  0.10000E+01 volume  0.35909E-02 ppm1      8.558 ppm2      0.377 CV     1
 ASSI {  743}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 10   and name HA  ))
      5.600     3.900     0.400 peak   743 spectrum    1 weight  0.10000E+01 volume  0.63522E-03 ppm1      8.551 ppm2      4.645 CV     1
 ASSI {  744}
   (( segid "    " and resid 54   and name HN  ))
   (  segid "    " and resid 18   and name HG1%)
      4.100     2.100     1.900 peak   744 spectrum    1 weight  0.10000E+01 volume  0.27115E-02 ppm1      8.551 ppm2      0.619 CV     1
 ASSI {  745}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 62   and name HN  ))
      4.500     2.500     1.500 peak   745 spectrum    1 weight  0.10000E+01 volume  0.20098E-02 ppm1      8.259 ppm2      9.213 CV     1
 ASSI {  748}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 31   and name HA  ))
      3.200     1.300     1.300 peak   748 spectrum    1 weight  0.10000E+01 volume  0.88379E-02 ppm1      8.257 ppm2      5.912 CV     1
 ASSI {  749}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 62   and name HA  ))
      2.200     0.600     0.600 peak   749 spectrum    1 weight  0.10000E+01 volume  0.18946E-01 ppm1      8.259 ppm2      5.515 CV     1
 ASSI {  750}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 63   and name HA  ))
      3.200     1.300     1.300 peak   750 spectrum    1 weight  0.10000E+01 volume  0.61524E-02 ppm1      8.258 ppm2      4.981 CV     1
 ASSI {  752}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 63   and name HB2 ))
      2.800     0.900     0.900 peak   752 spectrum    1 weight  0.10000E+01 volume  0.12898E-01 ppm1      8.258 ppm2      4.062 CV     1
 OR {  752}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 63   and name HB1 ))
 ASSI {  753}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 62   and name HB  ))
      3.400     1.400     1.400 peak   753 spectrum    1 weight  0.10000E+01 volume  0.96165E-02 ppm1      8.258 ppm2      3.834 CV     1
 ASSI {  754}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 31   and name HB1 ))
      4.500     2.600     1.500 peak   754 spectrum    1 weight  0.10000E+01 volume  0.41125E-02 ppm1      8.261 ppm2      3.592 CV     1
 OR {  754}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 31   and name HB2 ))
 ASSI {  755}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 30   and name HB1 ))
      3.100     1.200     1.200 peak   755 spectrum    1 weight  0.10000E+01 volume  0.49081E-02 ppm1      8.260 ppm2      2.412 CV     1
 ASSI {  756}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 30   and name HB2 ))
      3.700     1.700     1.700 peak   756 spectrum    1 weight  0.10000E+01 volume  0.56027E-02 ppm1      8.260 ppm2      2.005 CV     1
 ASSI {  757}
   (( segid "    " and resid 63   and name HN  ))
   (  segid "    " and resid 62   and name HG2%)
      3.900     1.900     1.900 peak   757 spectrum    1 weight  0.10000E+01 volume  0.54101E-02 ppm1      8.259 ppm2      1.096 CV     1
 ASSI {  760}
   (( segid "    " and resid 135  and name HN  ))
   (( segid "    " and resid 134  and name HN  ))
      2.500     0.800     0.800 peak   760 spectrum    1 weight  0.10000E+01 volume  0.14171E-01 ppm1      7.220 ppm2      8.281 CV     1
 ASSI {  762}
   (( segid "    " and resid 135  and name HN  ))
   (( segid "    " and resid 142  and name HA  ))
      3.300     3.300     2.700 peak   762 spectrum    1 weight  0.10000E+01 volume  0.11254E-01 ppm1      7.220 ppm2      4.803 CV     1
 ASSI {  763}
   (( segid "    " and resid 135  and name HN  ))
   (( segid "    " and resid 134  and name HA  ))
      3.200     1.300     1.300 peak   763 spectrum    1 weight  0.10000E+01 volume  0.59159E-02 ppm1      7.220 ppm2      4.548 CV     1
 ASSI {  764}
   (( segid "    " and resid 135  and name HN  ))
   (( segid "    " and resid 135  and name HA  ))
      2.800     1.000     1.000 peak   764 spectrum    1 weight  0.10000E+01 volume  0.12567E-01 ppm1      7.219 ppm2      3.844 CV     1
 ASSI {  765}
   (( segid "    " and resid 135  and name HN  ))
   (( segid "    " and resid 134  and name HG1 ))
      4.200     2.200     1.800 peak   765 spectrum    1 weight  0.10000E+01 volume  0.48632E-02 ppm1      7.219 ppm2      2.303 CV     1
 OR {  765}
   (( segid "    " and resid 135  and name HN  ))
   (( segid "    " and resid 134  and name HB1 ))
 ASSI {  766}
   (( segid "    " and resid 135  and name HN  ))
   (( segid "    " and resid 135  and name HB2 ))
      2.400     0.700     0.700 peak   766 spectrum    1 weight  0.10000E+01 volume  0.22269E-01 ppm1      7.220 ppm2      1.735 CV     1
 ASSI {  767}
   (( segid "    " and resid 135  and name HN  ))
   (( segid "    " and resid 135  and name HB1 ))
      2.500     0.800     0.800 peak   767 spectrum    1 weight  0.10000E+01 volume  0.25093E-01 ppm1      7.219 ppm2      1.298 CV     1
 ASSI {  768}
   (( segid "    " and resid 135  and name HN  ))
   (( segid "    " and resid 143  and name HG  ))
      3.600     3.600     2.400 peak   768 spectrum    1 weight  0.10000E+01 volume  0.16001E-01 ppm1      7.219 ppm2      0.998 CV     1
 ASSI {  772}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 54   and name HA  ))
      4.300     2.300     1.700 peak   772 spectrum    1 weight  0.10000E+01 volume  0.57135E-03 ppm1      8.555 ppm2      5.470 CV     1
 ASSI {  773}
   (( segid "    " and resid 54   and name HN  ))
   (  segid "    " and resid 54   and name HD1%)
      5.600     4.000     0.400 peak   773 spectrum    1 weight  0.10000E+01 volume  0.91030E-03 ppm1      8.559 ppm2     -0.631 CV     1
 OR {  773}
   (( segid "    " and resid 54   and name HN  ))
   (  segid "    " and resid 54   and name HD2%)
 ASSI {  776}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 73   and name HA  ))
      4.400     2.400     1.600 peak   776 spectrum    1 weight  0.10000E+01 volume  0.74947E-03 ppm1      8.009 ppm2      4.345 CV     1
 ASSI {  778}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 77   and name HB2 ))
      3.700     3.700     2.300 peak   778 spectrum    1 weight  0.10000E+01 volume  0.82684E-02 ppm1      8.009 ppm2      1.839 CV     1
 ASSI {  779}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 75   and name HN  ))
      2.600     0.800     0.800 peak   779 spectrum    1 weight  0.10000E+01 volume  0.11783E-01 ppm1      8.004 ppm2      7.691 CV     1
 ASSI {  780}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 73   and name HB  ))
      4.200     2.200     1.800 peak   780 spectrum    1 weight  0.10000E+01 volume  0.33980E-02 ppm1      8.006 ppm2      3.951 CV     1
 ASSI {  781}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 76   and name HA  ))
      2.800     1.000     1.000 peak   781 spectrum    1 weight  0.10000E+01 volume  0.68449E-02 ppm1      8.005 ppm2      3.598 CV     1
 ASSI {  783}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 28   and name HG11))
      4.300     2.300     1.700 peak   783 spectrum    1 weight  0.10000E+01 volume  0.79583E-02 ppm1      8.003 ppm2      2.078 CV     1
 OR {  783}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 28   and name HG12))
 ASSI {  785}
   (( segid "    " and resid 76   and name HN  ))
   (  segid "    " and resid 96   and name HD2%)
      4.000     2.000     2.000 peak   785 spectrum    1 weight  0.10000E+01 volume  0.44421E-02 ppm1      8.003 ppm2      1.129 CV     1
 OR {  785}
   (( segid "    " and resid 76   and name HN  ))
   (  segid "    " and resid 96   and name HD1%)
 ASSI {  799}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 73   and name HN  ))
      2.600     0.900     0.900 peak   799 spectrum    1 weight  0.10000E+01 volume  0.10858E-01 ppm1      8.921 ppm2      9.339 CV     1
 ASSI {  803}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 74   and name HA  ))
      3.000     1.200     1.200 peak   803 spectrum    1 weight  0.10000E+01 volume  0.76858E-02 ppm1      8.921 ppm2      4.213 CV     1
 ASSI {  804}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 73   and name HB  ))
      4.100     2.100     1.900 peak   804 spectrum    1 weight  0.10000E+01 volume  0.17283E-02 ppm1      8.923 ppm2      3.964 CV     1
 ASSI {  806}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 74   and name HB1 ))
      3.500     1.600     1.600 peak   806 spectrum    1 weight  0.10000E+01 volume  0.14015E-01 ppm1      8.919 ppm2      2.249 CV     1
 ASSI {  809}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 75   and name HN  ))
      2.700     0.900     0.900 peak   809 spectrum    1 weight  0.10000E+01 volume  0.11004E-01 ppm1      8.918 ppm2      7.701 CV     1
 ASSI {  810}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 74   and name HG2 ))
      2.700     0.900     0.900 peak   810 spectrum    1 weight  0.10000E+01 volume  0.66443E-02 ppm1      8.918 ppm2      2.947 CV     1
 ASSI {  812}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 70   and name HG  ))
      3.800     1.800     1.800 peak   812 spectrum    1 weight  0.10000E+01 volume  0.46909E-02 ppm1      8.915 ppm2      1.347 CV     1
 ASSI {  813}
   (( segid "    " and resid 74   and name HN  ))
   (  segid "    " and resid 73   and name HG2%)
      3.700     1.700     1.700 peak   813 spectrum    1 weight  0.10000E+01 volume  0.90276E-02 ppm1      8.918 ppm2      1.065 CV     1
 ASSI {  815}
   (( segid "    " and resid 74   and name HN  ))
   (  segid "    " and resid 70   and name HD1%)
      6.000     6.000     0.000 peak   815 spectrum    1 weight  0.10000E+01 volume  0.14586E-03 ppm1      8.917 ppm2      0.525 CV     1
 ASSI {  817}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 78   and name HN  ))
      2.500     0.800     0.800 peak   817 spectrum    1 weight  0.10000E+01 volume  0.12540E-01 ppm1      8.782 ppm2      7.975 CV     1
 ASSI {  848}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 20   and name HA  ))
      4.300     2.300     1.700 peak   848 spectrum    1 weight  0.10000E+01 volume  0.44219E-02 ppm1      9.347 ppm2      4.182 CV     1
 ASSI {  851}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 25   and name HG  ))
      2.300     0.700     0.700 peak   851 spectrum    1 weight  0.10000E+01 volume  0.19443E-01 ppm1      9.346 ppm2      1.973 CV     1
 ASSI {  855}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 76   and name HA  ))
      3.400     1.400     1.400 peak   855 spectrum    1 weight  0.10000E+01 volume  0.41927E-02 ppm1      8.779 ppm2      3.589 CV     1
 ASSI {  856}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 79   and name HG2 ))
      3.300     1.400     1.400 peak   856 spectrum    1 weight  0.10000E+01 volume  0.11893E-01 ppm1      8.781 ppm2      2.570 CV     1
 ASSI {  857}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 75   and name HB1 ))
      2.800     2.800     3.200 peak   857 spectrum    1 weight  0.10000E+01 volume  0.28154E-01 ppm1      8.780 ppm2      2.312 CV     1
 ASSI {  858}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 75   and name HB2 ))
      3.800     1.800     1.800 peak   858 spectrum    1 weight  0.10000E+01 volume  0.78690E-02 ppm1      8.782 ppm2      1.939 CV     1
 ASSI {  872}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 25   and name HN  ))
      2.500     0.800     0.800 peak   872 spectrum    1 weight  0.10000E+01 volume  0.17005E-01 ppm1      7.919 ppm2      9.345 CV     1
 ASSI {  875}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 23   and name HN  ))
      2.200     0.600     0.600 peak   875 spectrum    1 weight  0.10000E+01 volume  0.29678E-01 ppm1      7.920 ppm2      7.422 CV     1
 ASSI {  876}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 20   and name HA  ))
      2.400     2.400     3.600 peak   876 spectrum    1 weight  0.10000E+01 volume  0.37116E-01 ppm1      7.920 ppm2      4.182 CV     1
 ASSI {  878}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 23   and name HB1 ))
      2.300     0.700     0.700 peak   878 spectrum    1 weight  0.10000E+01 volume  0.39671E-01 ppm1      7.920 ppm2      1.960 CV     1
 OR {  878}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 23   and name HB2 ))
 ASSI {  879}
   (( segid "    " and resid 24   and name HN  ))
   (  segid "    " and resid 24   and name HB% )
      2.200     0.600     0.600 peak   879 spectrum    1 weight  0.10000E+01 volume  0.46923E-01 ppm1      7.920 ppm2      1.568 CV     1
 ASSI {  880}
   (( segid "    " and resid 24   and name HN  ))
   (  segid "    " and resid 96   and name HD2%)
      3.100     3.100     2.900 peak   880 spectrum    1 weight  0.10000E+01 volume  0.97335E-02 ppm1      7.918 ppm2      1.161 CV     1
 OR {  880}
   (( segid "    " and resid 24   and name HN  ))
   (  segid "    " and resid 96   and name HD1%)
 ASSI {  884}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 54   and name HA  ))
      5.100     3.200     0.900 peak   884 spectrum    1 weight  0.10000E+01 volume  0.69216E-03 ppm1     10.308 ppm2      5.475 CV     1
 ASSI {  885}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 41   and name HD1 ))
      5.000     3.100     1.000 peak   885 spectrum    1 weight  0.10000E+01 volume  0.29293E-02 ppm1     10.308 ppm2      2.852 CV     1
 ASSI {  886}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 52   and name HB2 ))
      5.200     3.400     0.800 peak   886 spectrum    1 weight  0.10000E+01 volume  0.12131E-02 ppm1     10.306 ppm2      2.649 CV     1
 ASSI {  890}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 31   and name HA  ))
      4.300     2.300     1.700 peak   890 spectrum    1 weight  0.10000E+01 volume  0.45316E-02 ppm1      9.233 ppm2      5.912 CV     1
 ASSI {  891}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 62   and name HA  ))
      3.200     1.300     1.300 peak   891 spectrum    1 weight  0.10000E+01 volume  0.36023E-02 ppm1      9.232 ppm2      5.518 CV     1
 ASSI {  892}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 61   and name HA  ))
      2.000     0.500     0.500 peak   892 spectrum    1 weight  0.10000E+01 volume  0.47174E-01 ppm1      9.232 ppm2      4.758 CV     1
 ASSI {  894}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 2    and name HA  ))
      3.000     1.100     1.100 peak   894 spectrum    1 weight  0.10000E+01 volume  0.99391E-02 ppm1      9.232 ppm2      4.216 CV     1
 ASSI {  895}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 62   and name HB  ))
      3.300     1.400     1.400 peak   895 spectrum    1 weight  0.10000E+01 volume  0.49452E-02 ppm1      9.232 ppm2      3.835 CV     1
 ASSI {  897}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 61   and name HG2 ))
      3.900     1.900     1.900 peak   897 spectrum    1 weight  0.10000E+01 volume  0.64720E-02 ppm1      9.233 ppm2      1.948 CV     1
 ASSI {  901}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 64   and name HN  ))
      5.700     4.100     0.300 peak   901 spectrum    1 weight  0.10000E+01 volume  0.94027E-03 ppm1      9.228 ppm2      8.544 CV     1
 ASSI {  906}
   (( segid "    " and resid 62   and name HN  ))
   (  segid "    " and resid 62   and name HG2%)
      2.300     0.600     0.600 peak   906 spectrum    1 weight  0.10000E+01 volume  0.18119E-01 ppm1      9.231 ppm2      1.101 CV     1
 ASSI {  907}
   (( segid "    " and resid 62   and name HN  ))
   (  segid "    " and resid 60   and name HD1%)
      3.400     3.400     2.600 peak   907 spectrum    1 weight  0.10000E+01 volume  0.13820E-01 ppm1      9.231 ppm2      0.777 CV     1
 ASSI {  912}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 48   and name HN  ))
      2.700     0.900     0.900 peak   912 spectrum    1 weight  0.10000E+01 volume  0.16157E-01 ppm1      8.890 ppm2      8.586 CV     1
 ASSI {  913}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 50   and name HN  ))
      2.700     0.900     0.900 peak   913 spectrum    1 weight  0.10000E+01 volume  0.79935E-02 ppm1      8.890 ppm2      7.813 CV     1
 ASSI {  914}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 49   and name HA  ))
      2.800     1.000     1.000 peak   914 spectrum    1 weight  0.10000E+01 volume  0.16637E-01 ppm1      8.891 ppm2      4.671 CV     1
 ASSI {  915}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 47   and name HA  ))
      3.400     1.400     1.400 peak   915 spectrum    1 weight  0.10000E+01 volume  0.69747E-02 ppm1      8.892 ppm2      4.473 CV     1
 ASSI {  916}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 48   and name HA  ))
      2.900     1.100     1.100 peak   916 spectrum    1 weight  0.10000E+01 volume  0.13651E-01 ppm1      8.890 ppm2      4.306 CV     1
 ASSI {  917}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 49   and name HB2 ))
      2.900     1.000     1.000 peak   917 spectrum    1 weight  0.10000E+01 volume  0.28499E-01 ppm1      8.890 ppm2      2.684 CV     1
 ASSI {  919}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 48   and name HB2 ))
      3.200     1.300     1.300 peak   919 spectrum    1 weight  0.10000E+01 volume  0.12377E-01 ppm1      8.888 ppm2      2.300 CV     1
 ASSI {  922}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 19   and name HB2 ))
      5.600     4.000     0.400 peak   922 spectrum    1 weight  0.10000E+01 volume  0.93222E-03 ppm1      8.733 ppm2      2.848 CV     1
 ASSI {  926}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 40   and name HN  ))
      5.000     3.100     1.000 peak   926 spectrum    1 weight  0.10000E+01 volume  0.89790E-03 ppm1      8.674 ppm2      9.102 CV     1
 ASSI {  928}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 38   and name HN  ))
      4.600     2.700     1.400 peak   928 spectrum    1 weight  0.10000E+01 volume  0.20334E-02 ppm1      8.665 ppm2      9.299 CV     1
 ASSI {  930}
   (( segid "    " and resid 39   and name HN  ))
   (  segid "    " and resid 39   and name HD% )
      3.000     1.200     1.200 peak   930 spectrum    1 weight  0.10000E+01 volume  0.70974E-02 ppm1      8.669 ppm2      6.955 CV     1
 ASSI {  931}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 39   and name HA  ))
      3.000     1.200     1.200 peak   931 spectrum    1 weight  0.10000E+01 volume  0.61780E-02 ppm1      8.667 ppm2      5.247 CV     1
 ASSI {  934}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 38   and name HB1 ))
      2.800     1.000     1.000 peak   934 spectrum    1 weight  0.10000E+01 volume  0.85054E-02 ppm1      8.671 ppm2      3.727 CV     1
 ASSI {  936}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 39   and name HB1 ))
      3.100     1.200     1.200 peak   936 spectrum    1 weight  0.10000E+01 volume  0.13641E-01 ppm1      8.669 ppm2      3.357 CV     1
 ASSI {  938}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 39   and name HB2 ))
      3.000     1.100     1.100 peak   938 spectrum    1 weight  0.10000E+01 volume  0.88678E-02 ppm1      8.670 ppm2      2.762 CV     1
 ASSI {  939}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 157  and name HG1 ))
      4.200     2.200     1.800 peak   939 spectrum    1 weight  0.10000E+01 volume  0.37622E-02 ppm1      8.666 ppm2      1.616 CV     1
 ASSI {  942}
   (( segid "    " and resid 39   and name HN  ))
   (  segid "    " and resid 54   and name HD1%)
      6.000     6.000     0.000 peak   942 spectrum    1 weight  0.10000E+01 volume  0.15190E-03 ppm1      8.668 ppm2     -0.648 CV     1
 OR {  942}
   (( segid "    " and resid 39   and name HN  ))
   (  segid "    " and resid 54   and name HD2%)
 ASSI {  944}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 70   and name HN  ))
      2.700     0.900     0.900 peak   944 spectrum    1 weight  0.10000E+01 volume  0.11868E-01 ppm1      8.232 ppm2      7.826 CV     1
 ASSI {  945}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 72   and name HD2 ))
      4.600     2.700     1.400 peak   945 spectrum    1 weight  0.10000E+01 volume  0.23077E-02 ppm1      8.234 ppm2      7.248 CV     1
 ASSI {  946}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 68   and name HN  ))
      2.200     0.600     0.600 peak   946 spectrum    1 weight  0.10000E+01 volume  0.17542E-01 ppm1      8.232 ppm2      6.875 CV     1
 ASSI {  948}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 68   and name HA  ))
      3.300     1.400     1.400 peak   948 spectrum    1 weight  0.10000E+01 volume  0.54118E-02 ppm1      8.237 ppm2      4.345 CV     1
 ASSI {  949}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 69   and name HA  ))
      2.700     0.900     0.900 peak   949 spectrum    1 weight  0.10000E+01 volume  0.96263E-02 ppm1      8.235 ppm2      4.184 CV     1
 ASSI {  950}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 66   and name HD2 ))
      4.600     2.600     1.400 peak   950 spectrum    1 weight  0.10000E+01 volume  0.25233E-02 ppm1      8.234 ppm2      3.637 CV     1
 ASSI {  951}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 66   and name HA  ))
      3.400     1.400     1.400 peak   951 spectrum    1 weight  0.10000E+01 volume  0.56370E-02 ppm1      8.233 ppm2      3.353 CV     1
 ASSI {  952}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 68   and name HG2 ))
      4.300     2.300     1.700 peak   952 spectrum    1 weight  0.10000E+01 volume  0.40257E-02 ppm1      8.232 ppm2      2.402 CV     1
 OR {  952}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 68   and name HG1 ))
 ASSI {  953}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 69   and name HB2 ))
      2.300     0.700     0.700 peak   953 spectrum    1 weight  0.10000E+01 volume  0.28112E-01 ppm1      8.233 ppm2      2.210 CV     1
 ASSI {  954}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 67   and name HG1 ))
      5.900     4.400     0.100 peak   954 spectrum    1 weight  0.10000E+01 volume  0.99696E-03 ppm1      8.235 ppm2      1.979 CV     1
 ASSI {  955}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 64   and name HB2 ))
      4.300     2.300     1.700 peak   955 spectrum    1 weight  0.10000E+01 volume  0.11796E-01 ppm1      8.229 ppm2      1.780 CV     1
 ASSI {  956}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 69   and name HG  ))
      4.100     2.100     1.900 peak   956 spectrum    1 weight  0.10000E+01 volume  0.60235E-02 ppm1      8.230 ppm2      1.623 CV     1
 ASSI {  957}
   (( segid "    " and resid 69   and name HN  ))
   (  segid "    " and resid 65   and name HB% )
      3.700     1.700     1.700 peak   957 spectrum    1 weight  0.10000E+01 volume  0.75305E-02 ppm1      8.232 ppm2      1.460 CV     1
 ASSI {  958}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 69   and name HB1 ))
      2.200     0.600     0.600 peak   958 spectrum    1 weight  0.10000E+01 volume  0.19986E-01 ppm1      8.233 ppm2      1.314 CV     1
 ASSI {  959}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 98   and name HG12))
      3.500     3.500     2.500 peak   959 spectrum    1 weight  0.10000E+01 volume  0.17463E-01 ppm1      8.234 ppm2      0.998 CV     1
 ASSI {  961}
   (( segid "    " and resid 69   and name HN  ))
   (  segid "    " and resid 64   and name HD1%)
      2.900     1.000     1.000 peak   961 spectrum    1 weight  0.10000E+01 volume  0.75864E-02 ppm1      8.231 ppm2      0.692 CV     1
 OR {  961}
   (( segid "    " and resid 69   and name HN  ))
   (  segid "    " and resid 64   and name HD2%)
 ASSI {  972}
   (( segid "    " and resid 141  and name HN  ))
   (( segid "    " and resid 137  and name HN  ))
      2.900     1.100     1.100 peak   972 spectrum    1 weight  0.10000E+01 volume  0.70462E-02 ppm1      7.982 ppm2      9.238 CV     1
 ASSI {  973}
   (( segid "    " and resid 141  and name HN  ))
   (( segid "    " and resid 142  and name HA  ))
      4.100     2.100     1.900 peak   973 spectrum    1 weight  0.10000E+01 volume  0.35327E-02 ppm1      7.987 ppm2      4.792 CV     1
 ASSI {  974}
   (( segid "    " and resid 141  and name HN  ))
   (( segid "    " and resid 137  and name HB2 ))
      2.600     0.800     0.800 peak   974 spectrum    1 weight  0.10000E+01 volume  0.98015E-02 ppm1      7.981 ppm2      3.363 CV     1
 ASSI {  975}
   (( segid "    " and resid 141  and name HN  ))
   (( segid "    " and resid 141  and name HG2 ))
      4.200     2.200     1.800 peak   975 spectrum    1 weight  0.10000E+01 volume  0.35846E-02 ppm1      7.984 ppm2      2.072 CV     1
 ASSI {  977}
   (( segid "    " and resid 141  and name HN  ))
   (( segid "    " and resid 140  and name HN  ))
      2.200     0.600     0.600 peak   977 spectrum    1 weight  0.10000E+01 volume  0.15436E-01 ppm1      7.981 ppm2      8.371 CV     1
 ASSI {  993}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 43   and name HD1 ))
      5.500     3.700     0.500 peak   993 spectrum    1 weight  0.10000E+01 volume  0.10567E-02 ppm1     10.314 ppm2      3.830 CV     1
 OR {  993}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 43   and name HD2 ))
 ASSI {  996}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 158  and name HE3 ))
      4.800     2.800     1.200 peak   996 spectrum    1 weight  0.10000E+01 volume  0.40607E-02 ppm1     10.304 ppm2      7.408 CV     1
 ASSI {  997}
   (( segid "    " and resid 42   and name HN  ))
   (  segid "    " and resid 53   and name HD% )
      4.400     2.400     1.600 peak   997 spectrum    1 weight  0.10000E+01 volume  0.59456E-03 ppm1     10.304 ppm2      6.527 CV     1
 ASSI {  998}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 41   and name HA  ))
      2.600     0.800     0.800 peak   998 spectrum    1 weight  0.10000E+01 volume  0.12245E-01 ppm1     10.306 ppm2      6.084 CV     1
 ASSI {  999}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 42   and name HA  ))
      3.200     1.300     1.300 peak   999 spectrum    1 weight  0.10000E+01 volume  0.46163E-02 ppm1     10.307 ppm2      5.150 CV     1
 ASSI { 1003}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 158  and name HA  ))
      6.000     6.000     0.000 peak  1003 spectrum    1 weight  0.10000E+01 volume  0.14831E-03 ppm1     10.308 ppm2      3.997 CV     1
 ASSI { 1005}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 41   and name HB1 ))
      4.500     2.500     1.500 peak  1005 spectrum    1 weight  0.10000E+01 volume  0.32868E-02 ppm1     10.309 ppm2      1.720 CV     1
 OR { 1005}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 41   and name HB2 ))
 ASSI { 1006}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 41   and name HG2 ))
      3.200     1.300     1.300 peak  1006 spectrum    1 weight  0.10000E+01 volume  0.48022E-02 ppm1     10.308 ppm2      1.633 CV     1
 ASSI { 1007}
   (( segid "    " and resid 42   and name HN  ))
   (  segid "    " and resid 42   and name HG2%)
      3.300     1.300     1.300 peak  1007 spectrum    1 weight  0.10000E+01 volume  0.74096E-02 ppm1     10.307 ppm2      1.433 CV     1
 ASSI { 1010}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 19   and name HN  ))
      2.500     0.800     0.800 peak  1010 spectrum    1 weight  0.10000E+01 volume  0.20045E-01 ppm1      8.731 ppm2      8.130 CV     1
 ASSI { 1011}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 80   and name HE21))
      5.700     4.100     0.300 peak  1011 spectrum    1 weight  0.10000E+01 volume  0.69706E-03 ppm1      8.724 ppm2      7.890 CV     1
 ASSI { 1012}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 80   and name HE22))
      5.700     4.000     0.300 peak  1012 spectrum    1 weight  0.10000E+01 volume  0.10463E-02 ppm1      8.731 ppm2      7.445 CV     1
 ASSI { 1013}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 16   and name HN  ))
      4.100     2.100     1.900 peak  1013 spectrum    1 weight  0.10000E+01 volume  0.28948E-02 ppm1      8.732 ppm2      7.257 CV     1
 ASSI { 1015}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 17   and name HA  ))
      3.300     1.400     1.400 peak  1015 spectrum    1 weight  0.10000E+01 volume  0.49998E-02 ppm1      8.730 ppm2      3.979 CV     1
 ASSI { 1017}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 17   and name HG2 ))
      4.200     2.300     1.800 peak  1017 spectrum    1 weight  0.10000E+01 volume  0.57962E-02 ppm1      8.730 ppm2      2.647 CV     1
 OR { 1017}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 17   and name HG1 ))
 ASSI { 1019}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 17   and name HB2 ))
      2.500     0.800     0.800 peak  1019 spectrum    1 weight  0.10000E+01 volume  0.21175E-01 ppm1      8.731 ppm2      2.143 CV     1
 OR { 1019}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 17   and name HB1 ))
 ASSI { 1021}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 18   and name HB  ))
      2.400     0.700     0.700 peak  1021 spectrum    1 weight  0.10000E+01 volume  0.20295E-01 ppm1      8.731 ppm2      1.525 CV     1
 ASSI { 1022}
   (( segid "    " and resid 18   and name HN  ))
   (  segid "    " and resid 18   and name HG1%)
      3.700     1.700     1.700 peak  1022 spectrum    1 weight  0.10000E+01 volume  0.14848E-01 ppm1      8.731 ppm2      0.624 CV     1
 ASSI { 1024}
   (( segid "    " and resid 18   and name HN  ))
   (  segid "    " and resid 54   and name HD2%)
      4.400     2.400     1.600 peak  1024 spectrum    1 weight  0.10000E+01 volume  0.35298E-02 ppm1      8.730 ppm2     -0.630 CV     1
 OR { 1024}
   (( segid "    " and resid 18   and name HN  ))
   (  segid "    " and resid 54   and name HD1%)
 ASSI { 1029}
   (( segid "    " and resid 154  and name HN  ))
   (( segid "    " and resid 155  and name HN  ))
      4.300     2.300     1.700 peak  1029 spectrum    1 weight  0.10000E+01 volume  0.44201E-02 ppm1      8.304 ppm2      7.669 CV     1
 ASSI { 1031}
   (( segid "    " and resid 154  and name HN  ))
   (( segid "    " and resid 153  and name HA  ))
      2.200     0.600     0.600 peak  1031 spectrum    1 weight  0.10000E+01 volume  0.53503E-01 ppm1      8.306 ppm2      4.568 CV     1
 ASSI { 1032}
   (( segid "    " and resid 154  and name HN  ))
   (( segid "    " and resid 154  and name HA  ))
      2.700     0.900     0.900 peak  1032 spectrum    1 weight  0.10000E+01 volume  0.17063E-01 ppm1      8.305 ppm2      2.961 CV     1
 ASSI { 1033}
   (( segid "    " and resid 154  and name HN  ))
   (( segid "    " and resid 153  and name HB1 ))
      3.300     1.400     1.400 peak  1033 spectrum    1 weight  0.10000E+01 volume  0.16148E-01 ppm1      8.306 ppm2      2.760 CV     1
 ASSI { 1034}
   (( segid "    " and resid 154  and name HN  ))
   (( segid "    " and resid 153  and name HB2 ))
      3.400     1.400     1.400 peak  1034 spectrum    1 weight  0.10000E+01 volume  0.15358E-01 ppm1      8.306 ppm2      2.589 CV     1
 ASSI { 1035}
   (( segid "    " and resid 154  and name HN  ))
   (( segid "    " and resid 154  and name HB2 ))
      2.300     0.700     0.700 peak  1035 spectrum    1 weight  0.10000E+01 volume  0.43460E-01 ppm1      8.305 ppm2      1.415 CV     1
 OR { 1035}
   (( segid "    " and resid 154  and name HN  ))
   (( segid "    " and resid 154  and name HB1 ))
 ASSI { 1036}
   (( segid "    " and resid 154  and name HN  ))
   (( segid "    " and resid 154  and name HG2 ))
      3.100     1.200     1.200 peak  1036 spectrum    1 weight  0.10000E+01 volume  0.16045E-01 ppm1      8.306 ppm2      1.184 CV     1
 ASSI { 1037}
   (( segid "    " and resid 154  and name HN  ))
   (( segid "    " and resid 154  and name HG1 ))
      2.500     0.800     0.800 peak  1037 spectrum    1 weight  0.10000E+01 volume  0.98789E-02 ppm1      8.306 ppm2      0.754 CV     1
 ASSI { 1040}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 55   and name HN  ))
      6.000     5.000     0.000 peak  1040 spectrum    1 weight  0.10000E+01 volume  0.46808E-03 ppm1      8.909 ppm2      9.429 CV     1
 ASSI { 1042}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 55   and name HD21))
      3.900     1.900     1.900 peak  1042 spectrum    1 weight  0.10000E+01 volume  0.33028E-02 ppm1      8.908 ppm2      7.991 CV     1
 ASSI { 1044}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 55   and name HA  ))
      2.700     0.900     0.900 peak  1044 spectrum    1 weight  0.10000E+01 volume  0.11355E-01 ppm1      8.909 ppm2      6.210 CV     1
 ASSI { 1045}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 8    and name HA1 ))
      2.900     2.900     3.100 peak  1045 spectrum    1 weight  0.10000E+01 volume  0.16100E-02 ppm1      8.910 ppm2      5.749 CV     1
 ASSI { 1047}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 55   and name HB1 ))
      3.900     1.900     1.900 peak  1047 spectrum    1 weight  0.10000E+01 volume  0.59754E-02 ppm1      8.911 ppm2      3.347 CV     1
 ASSI { 1048}
   (( segid "    " and resid 56   and name HN  ))
   (  segid "    " and resid 56   and name HB% )
      2.900     1.100     1.100 peak  1048 spectrum    1 weight  0.10000E+01 volume  0.14539E-01 ppm1      8.911 ppm2      1.423 CV     1
 ASSI { 1051}
   (( segid "    " and resid 56   and name HN  ))
   (  segid "    " and resid 58   and name HG1%)
      5.500     3.700     0.500 peak  1051 spectrum    1 weight  0.10000E+01 volume  0.42121E-03 ppm1      8.901 ppm2      0.988 CV     1
 OR { 1051}
   (( segid "    " and resid 56   and name HN  ))
   (  segid "    " and resid 58   and name HG2%)
 ASSI { 1056}
   (( segid "    " and resid 111  and name HN  ))
   (( segid "    " and resid 108  and name HN  ))
      3.400     1.400     1.400 peak  1056 spectrum    1 weight  0.10000E+01 volume  0.80655E-02 ppm1      7.632 ppm2      8.969 CV     1
 ASSI { 1059}
   (( segid "    " and resid 111  and name HN  ))
   (( segid "    " and resid 107  and name HA  ))
      4.700     2.700     1.300 peak  1059 spectrum    1 weight  0.10000E+01 volume  0.24034E-02 ppm1      7.631 ppm2      5.514 CV     1
 ASSI { 1060}
   (( segid "    " and resid 111  and name HN  ))
   (( segid "    " and resid 112  and name HA  ))
      6.000     5.900     0.000 peak  1060 spectrum    1 weight  0.10000E+01 volume  0.15114E-03 ppm1      7.633 ppm2      5.228 CV     1
 ASSI { 1063}
   (( segid "    " and resid 111  and name HN  ))
   (( segid "    " and resid 110  and name HA  ))
      3.400     1.400     1.400 peak  1063 spectrum    1 weight  0.10000E+01 volume  0.67494E-02 ppm1      7.630 ppm2      4.230 CV     1
 ASSI { 1064}
   (( segid "    " and resid 111  and name HN  ))
   (( segid "    " and resid 111  and name HA  ))
      2.700     0.900     0.900 peak  1064 spectrum    1 weight  0.10000E+01 volume  0.83399E-02 ppm1      7.633 ppm2      3.905 CV     1
 ASSI { 1065}
   (( segid "    " and resid 111  and name HN  ))
   (( segid "    " and resid 109  and name HB2 ))
      3.900     1.900     1.900 peak  1065 spectrum    1 weight  0.10000E+01 volume  0.63854E-02 ppm1      7.634 ppm2      2.035 CV     1
 ASSI { 1066}
   (( segid "    " and resid 111  and name HN  ))
   (( segid "    " and resid 110  and name HG2 ))
      4.200     2.200     1.800 peak  1066 spectrum    1 weight  0.10000E+01 volume  0.57223E-02 ppm1      7.633 ppm2      1.785 CV     1
 OR { 1066}
   (( segid "    " and resid 111  and name HN  ))
   (( segid "    " and resid 110  and name HG1 ))
 ASSI { 1067}
   (( segid "    " and resid 111  and name HN  ))
   (( segid "    " and resid 110  and name HB2 ))
      2.900     1.000     1.000 peak  1067 spectrum    1 weight  0.10000E+01 volume  0.62541E-02 ppm1      7.632 ppm2      1.647 CV     1
 ASSI { 1068}
   (( segid "    " and resid 111  and name HN  ))
   (( segid "    " and resid 111  and name HB2 ))
      2.600     0.800     0.800 peak  1068 spectrum    1 weight  0.10000E+01 volume  0.18703E-01 ppm1      7.632 ppm2      1.346 CV     1
 ASSI { 1069}
   (( segid "    " and resid 111  and name HN  ))
   (( segid "    " and resid 111  and name HB1 ))
      2.200     0.600     0.600 peak  1069 spectrum    1 weight  0.10000E+01 volume  0.20036E-01 ppm1      7.632 ppm2      0.921 CV     1
 ASSI { 1073}
   (( segid "    " and resid 111  and name HN  ))
   (( segid "    " and resid 71   and name HD21))
      4.300     2.300     1.700 peak  1073 spectrum    1 weight  0.10000E+01 volume  0.11370E-02 ppm1      7.626 ppm2      7.469 CV     1
 ASSI { 1075}
   (( segid "    " and resid 156  and name HN  ))
   (  segid "    " and resid 40   and name HD% )
      4.000     2.000     2.000 peak  1075 spectrum    1 weight  0.10000E+01 volume  0.48890E-02 ppm1      9.327 ppm2      7.052 CV     1
 ASSI { 1076}
   (( segid "    " and resid 156  and name HN  ))
   (( segid "    " and resid 154  and name HA  ))
      4.400     2.400     1.600 peak  1076 spectrum    1 weight  0.10000E+01 volume  0.24356E-02 ppm1      9.327 ppm2      3.005 CV     1
 ASSI { 1078}
   (( segid "    " and resid 156  and name HN  ))
   (( segid "    " and resid 155  and name HG  ))
      2.300     2.300     3.700 peak  1078 spectrum    1 weight  0.10000E+01 volume  0.61123E-02 ppm1      9.318 ppm2      0.777 CV     1
 ASSI { 1081}
   (( segid "    " and resid 105  and name HN  ))
   (( segid "    " and resid 105  and name HA  ))
      2.900     1.100     1.100 peak  1081 spectrum    1 weight  0.10000E+01 volume  0.71379E-02 ppm1      8.190 ppm2      4.652 CV     1
 ASSI { 1082}
   (( segid "    " and resid 105  and name HN  ))
   (( segid "    " and resid 104  and name HA  ))
      2.100     0.600     0.600 peak  1082 spectrum    1 weight  0.10000E+01 volume  0.50080E-01 ppm1      8.190 ppm2      4.265 CV     1
 ASSI { 1084}
   (( segid "    " and resid 105  and name HN  ))
   (( segid "    " and resid 104  and name HG1 ))
      4.400     2.400     1.600 peak  1084 spectrum    1 weight  0.10000E+01 volume  0.63705E-02 ppm1      8.194 ppm2      2.576 CV     1
 ASSI { 1085}
   (( segid "    " and resid 105  and name HN  ))
   (( segid "    " and resid 104  and name HB2 ))
      3.000     1.100     1.100 peak  1085 spectrum    1 weight  0.10000E+01 volume  0.11219E-01 ppm1      8.191 ppm2      2.389 CV     1
 ASSI { 1086}
   (( segid "    " and resid 105  and name HN  ))
   (  segid "    " and resid 105  and name HG2%)
      2.800     0.900     0.900 peak  1086 spectrum    1 weight  0.10000E+01 volume  0.29214E-01 ppm1      8.190 ppm2      1.032 CV     1
 OR { 1086}
   (( segid "    " and resid 105  and name HN  ))
   (  segid "    " and resid 105  and name HG1%)
 ASSI { 1087}
   (( segid "    " and resid 105  and name HN  ))
   (  segid "    " and resid 106  and name HD1%)
      4.500     2.600     1.500 peak  1087 spectrum    1 weight  0.10000E+01 volume  0.16101E-02 ppm1      8.193 ppm2      0.636 CV     1
 ASSI { 1088}
   (( segid "    " and resid 105  and name HN  ))
   (( segid "    " and resid 106  and name HN  ))
      3.700     1.700     1.700 peak  1088 spectrum    1 weight  0.10000E+01 volume  0.35897E-02 ppm1      8.188 ppm2      9.381 CV     1
 ASSI { 1090}
   (( segid "    " and resid 105  and name HN  ))
   (( segid "    " and resid 104  and name HB1 ))
      3.700     1.700     1.700 peak  1090 spectrum    1 weight  0.10000E+01 volume  0.10716E-01 ppm1      8.188 ppm2      2.182 CV     1
 ASSI { 1095}
   (( segid "    " and resid 118  and name HN  ))
   (( segid "    " and resid 117  and name HN  ))
      2.200     0.600     0.600 peak  1095 spectrum    1 weight  0.10000E+01 volume  0.18573E-01 ppm1      7.548 ppm2      8.026 CV     1
 ASSI { 1098}
   (( segid "    " and resid 118  and name HN  ))
   (  segid "    " and resid 116  and name HD% )
      3.100     3.100     2.900 peak  1098 spectrum    1 weight  0.10000E+01 volume  0.91072E-03 ppm1      7.550 ppm2      6.652 CV     1
 ASSI { 1099}
   (( segid "    " and resid 118  and name HN  ))
   (( segid "    " and resid 117  and name HA  ))
      3.700     1.800     1.800 peak  1099 spectrum    1 weight  0.10000E+01 volume  0.50736E-02 ppm1      7.547 ppm2      5.074 CV     1
 ASSI { 1100}
   (( segid "    " and resid 118  and name HN  ))
   (( segid "    " and resid 99   and name HA  ))
      5.600     3.900     0.400 peak  1100 spectrum    1 weight  0.10000E+01 volume  0.50268E-03 ppm1      7.550 ppm2      4.575 CV     1
 ASSI { 1102}
   (( segid "    " and resid 118  and name HN  ))
   (( segid "    " and resid 118  and name HG2 ))
      2.800     1.000     1.000 peak  1102 spectrum    1 weight  0.10000E+01 volume  0.96606E-02 ppm1      7.549 ppm2      3.318 CV     1
 OR { 1102}
   (( segid "    " and resid 118  and name HN  ))
   (( segid "    " and resid 118  and name HG1 ))
 ASSI { 1104}
   (( segid "    " and resid 118  and name HN  ))
   (( segid "    " and resid 124  and name HB2 ))
      4.000     2.000     2.000 peak  1104 spectrum    1 weight  0.10000E+01 volume  0.11422E-01 ppm1      7.548 ppm2      2.168 CV     1
 OR { 1104}
   (( segid "    " and resid 118  and name HN  ))
   (( segid "    " and resid 124  and name HB1 ))
 ASSI { 1106}
   (( segid "    " and resid 118  and name HN  ))
   (( segid "    " and resid 117  and name HB2 ))
      4.300     2.300     1.700 peak  1106 spectrum    1 weight  0.10000E+01 volume  0.50177E-02 ppm1      7.550 ppm2      1.523 CV     1
 ASSI { 1107}
   (( segid "    " and resid 118  and name HN  ))
   (( segid "    " and resid 119  and name HG1 ))
      4.200     2.200     1.800 peak  1107 spectrum    1 weight  0.10000E+01 volume  0.84528E-02 ppm1      7.551 ppm2      1.325 CV     1
 ASSI { 1111}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 25   and name HN  ))
      3.800     1.800     1.800 peak  1111 spectrum    1 weight  0.10000E+01 volume  0.30153E-02 ppm1      7.423 ppm2      9.349 CV     1
 ASSI { 1114}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 19   and name HA  ))
      4.400     2.500     1.600 peak  1114 spectrum    1 weight  0.10000E+01 volume  0.18587E-02 ppm1      7.423 ppm2      4.586 CV     1
 ASSI { 1117}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 23   and name HB2 ))
      2.000     0.500     0.500 peak  1117 spectrum    1 weight  0.10000E+01 volume  0.67193E-01 ppm1      7.424 ppm2      1.958 CV     1
 OR { 1117}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 23   and name HB1 ))
 ASSI { 1119}
   (( segid "    " and resid 23   and name HN  ))
   (  segid "    " and resid 22   and name HD1%)
      3.000     1.200     1.200 peak  1119 spectrum    1 weight  0.10000E+01 volume  0.77091E-02 ppm1      7.422 ppm2      1.137 CV     1
 ASSI { 1123}
   (( segid "    " and resid 156  and name HN  ))
   (  segid "    " and resid 155  and name HD2%)
      4.900     3.000     1.100 peak  1123 spectrum    1 weight  0.10000E+01 volume  0.30807E-02 ppm1      9.325 ppm2      0.490 CV     1
 ASSI { 1125}
   (( segid "    " and resid 156  and name HN  ))
   (( segid "    " and resid 156  and name HD22))
      3.800     1.800     1.800 peak  1125 spectrum    1 weight  0.10000E+01 volume  0.64945E-02 ppm1      9.314 ppm2      7.785 CV     1
 ASSI { 1126}
   (( segid "    " and resid 156  and name HN  ))
   (( segid "    " and resid 156  and name HA  ))
      3.000     1.100     1.100 peak  1126 spectrum    1 weight  0.10000E+01 volume  0.10499E-01 ppm1      9.320 ppm2      4.931 CV     1
 ASSI { 1127}
   (( segid "    " and resid 156  and name HN  ))
   (( segid "    " and resid 155  and name HA  ))
      2.200     0.600     0.600 peak  1127 spectrum    1 weight  0.10000E+01 volume  0.28654E-01 ppm1      9.320 ppm2      4.454 CV     1
 ASSI { 1128}
   (( segid "    " and resid 156  and name HN  ))
   (( segid "    " and resid 156  and name HB1 ))
      2.700     0.900     0.900 peak  1128 spectrum    1 weight  0.10000E+01 volume  0.24227E-01 ppm1      9.320 ppm2      2.861 CV     1
 OR { 1128}
   (( segid "    " and resid 156  and name HN  ))
   (( segid "    " and resid 156  and name HB2 ))
 ASSI { 1129}
   (( segid "    " and resid 156  and name HN  ))
   (( segid "    " and resid 154  and name HB1 ))
      3.200     1.300     1.300 peak  1129 spectrum    1 weight  0.10000E+01 volume  0.18403E-01 ppm1      9.321 ppm2      1.409 CV     1
 ASSI { 1132}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 48   and name HE22))
      4.800     2.800     1.200 peak  1132 spectrum    1 weight  0.10000E+01 volume  0.18390E-02 ppm1      8.596 ppm2      7.784 CV     1
 ASSI { 1135}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 48   and name HE21))
      5.300     3.500     0.700 peak  1135 spectrum    1 weight  0.10000E+01 volume  0.53572E-03 ppm1      8.588 ppm2      7.054 CV     1
 ASSI { 1136}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 49   and name HA  ))
      5.800     4.300     0.200 peak  1136 spectrum    1 weight  0.10000E+01 volume  0.54024E-03 ppm1      8.590 ppm2      4.678 CV     1
 ASSI { 1137}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 47   and name HA  ))
      2.600     0.800     0.800 peak  1137 spectrum    1 weight  0.10000E+01 volume  0.27452E-01 ppm1      8.588 ppm2      4.470 CV     1
 ASSI { 1138}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 48   and name HA  ))
      2.700     0.900     0.900 peak  1138 spectrum    1 weight  0.10000E+01 volume  0.10799E-01 ppm1      8.589 ppm2      4.308 CV     1
 ASSI { 1140}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 48   and name HG1 ))
      3.200     1.300     1.300 peak  1140 spectrum    1 weight  0.10000E+01 volume  0.24141E-01 ppm1      8.588 ppm2      2.478 CV     1
 ASSI { 1141}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 48   and name HB2 ))
      3.700     1.700     1.700 peak  1141 spectrum    1 weight  0.10000E+01 volume  0.89807E-02 ppm1      8.589 ppm2      2.291 CV     1
 ASSI { 1144}
   (( segid "    " and resid 85   and name HN  ))
   (( segid "    " and resid 84   and name HD1 ))
      2.600     2.600     3.400 peak  1144 spectrum    1 weight  0.10000E+01 volume  0.27273E-02 ppm1      8.323 ppm2      3.223 CV     1
 OR { 1144}
   (( segid "    " and resid 85   and name HN  ))
   (( segid "    " and resid 84   and name HD2 ))
 ASSI { 1145}
   (( segid "    " and resid 85   and name HN  ))
   (( segid "    " and resid 92   and name HG1 ))
      2.700     2.700     3.300 peak  1145 spectrum    1 weight  0.10000E+01 volume  0.22602E-01 ppm1      8.322 ppm2      1.788 CV     1
 ASSI { 1146}
   (( segid "    " and resid 85   and name HN  ))
   (( segid "    " and resid 85   and name HA  ))
      3.300     1.400     1.400 peak  1146 spectrum    1 weight  0.10000E+01 volume  0.60244E-02 ppm1      8.319 ppm2      4.445 CV     1
 ASSI { 1148}
   (( segid "    " and resid 129  and name HN  ))
   (( segid "    " and resid 130  and name HN  ))
      2.700     0.900     0.900 peak  1148 spectrum    1 weight  0.10000E+01 volume  0.80722E-02 ppm1      8.659 ppm2      7.751 CV     1
 ASSI { 1149}
   (( segid "    " and resid 129  and name HN  ))
   (  segid "    " and resid 129  and name HD% )
      4.300     2.400     1.700 peak  1149 spectrum    1 weight  0.10000E+01 volume  0.61820E-02 ppm1      8.659 ppm2      7.187 CV     1
 ASSI { 1153}
   (( segid "    " and resid 129  and name HN  ))
   (( segid "    " and resid 129  and name HB2 ))
      2.500     0.800     0.800 peak  1153 spectrum    1 weight  0.10000E+01 volume  0.12710E-01 ppm1      8.660 ppm2      3.172 CV     1
 ASSI { 1154}
   (( segid "    " and resid 129  and name HN  ))
   (( segid "    " and resid 129  and name HB1 ))
      2.600     0.800     0.800 peak  1154 spectrum    1 weight  0.10000E+01 volume  0.16720E-01 ppm1      8.659 ppm2      2.887 CV     1
 ASSI { 1155}
   (( segid "    " and resid 129  and name HN  ))
   (( segid "    " and resid 128  and name HB2 ))
      3.100     1.200     1.200 peak  1155 spectrum    1 weight  0.10000E+01 volume  0.11734E-01 ppm1      8.659 ppm2      2.026 CV     1
 ASSI { 1156}
   (( segid "    " and resid 129  and name HN  ))
   (( segid "    " and resid 133  and name HB1 ))
      4.100     2.100     1.900 peak  1156 spectrum    1 weight  0.10000E+01 volume  0.55152E-02 ppm1      8.659 ppm2      1.507 CV     1
 ASSI { 1159}
   (( segid "    " and resid 129  and name HN  ))
   (( segid "    " and resid 133  and name HA  ))
      5.300     3.600     0.700 peak  1159 spectrum    1 weight  0.10000E+01 volume  0.17801E-02 ppm1      8.655 ppm2      4.142 CV     1
 ASSI { 1162}
   (( segid "    " and resid 129  and name HN  ))
   (  segid "    " and resid 128  and name HD2%)
      3.700     1.700     1.700 peak  1162 spectrum    1 weight  0.10000E+01 volume  0.12355E-01 ppm1      8.657 ppm2      0.593 CV     1
 OR { 1162}
   (( segid "    " and resid 129  and name HN  ))
   (  segid "    " and resid 128  and name HD1%)
 ASSI { 1163}
   (( segid "    " and resid 129  and name HN  ))
   (  segid "    " and resid 147  and name HD1%)
      4.200     2.200     1.800 peak  1163 spectrum    1 weight  0.10000E+01 volume  0.50730E-02 ppm1      8.656 ppm2     -0.452 CV     1
 ASSI { 1165}
   (( segid "    " and resid 87   and name HN  ))
   (( segid "    " and resid 86   and name HN  ))
      4.200     2.200     1.800 peak  1165 spectrum    1 weight  0.10000E+01 volume  0.63890E-02 ppm1      8.347 ppm2      7.738 CV     1
 ASSI { 1166}
   (( segid "    " and resid 87   and name HN  ))
   (( segid "    " and resid 86   and name HA  ))
      2.300     0.700     0.700 peak  1166 spectrum    1 weight  0.10000E+01 volume  0.35576E-01 ppm1      8.351 ppm2      4.287 CV     1
 ASSI { 1167}
   (( segid "    " and resid 87   and name HN  ))
   (( segid "    " and resid 87   and name HG2 ))
      3.600     1.600     1.600 peak  1167 spectrum    1 weight  0.10000E+01 volume  0.64744E-02 ppm1      8.356 ppm2      2.326 CV     1
 OR { 1167}
   (( segid "    " and resid 87   and name HN  ))
   (( segid "    " and resid 87   and name HG1 ))
 ASSI { 1168}
   (( segid "    " and resid 87   and name HN  ))
   (( segid "    " and resid 87   and name HB2 ))
      2.500     0.800     0.800 peak  1168 spectrum    1 weight  0.10000E+01 volume  0.34833E-01 ppm1      8.354 ppm2      2.000 CV     1
 OR { 1168}
   (( segid "    " and resid 87   and name HN  ))
   (( segid "    " and resid 87   and name HB1 ))
 ASSI { 1169}
   (( segid "    " and resid 87   and name HN  ))
   (  segid "    " and resid 86   and name HB% )
      3.300     1.400     1.400 peak  1169 spectrum    1 weight  0.10000E+01 volume  0.25538E-01 ppm1      8.353 ppm2      1.439 CV     1
 ASSI { 1170}
   (( segid "    " and resid 85   and name HN  ))
   (  segid "    " and resid 83   and name HG1%)
      3.300     3.300     2.700 peak  1170 spectrum    1 weight  0.10000E+01 volume  0.76473E-02 ppm1      8.322 ppm2      0.964 CV     1
 ASSI { 1171}
   (( segid "    " and resid 85   and name HN  ))
   (( segid "    " and resid 84   and name HN  ))
      4.400     2.500     1.600 peak  1171 spectrum    1 weight  0.10000E+01 volume  0.14811E-02 ppm1      8.319 ppm2      8.807 CV     1
 ASSI { 1173}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 3    and name HN  ))
      5.300     3.500     0.700 peak  1173 spectrum    1 weight  0.10000E+01 volume  0.96460E-03 ppm1      8.650 ppm2      9.238 CV     1
 ASSI { 1174}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 102  and name HN  ))
      4.000     2.000     2.000 peak  1174 spectrum    1 weight  0.10000E+01 volume  0.66300E-02 ppm1      8.651 ppm2      8.392 CV     1
 ASSI { 1175}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 100  and name HN  ))
      2.700     0.900     0.900 peak  1175 spectrum    1 weight  0.10000E+01 volume  0.89595E-02 ppm1      8.652 ppm2      7.520 CV     1
 ASSI { 1176}
   (( segid "    " and resid 4    and name HN  ))
   (  segid "    " and resid 4    and name HD% )
      2.600     0.800     0.800 peak  1176 spectrum    1 weight  0.10000E+01 volume  0.85400E-02 ppm1      8.651 ppm2      6.829 CV     1
 ASSI { 1177}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 4    and name HA  ))
      2.900     1.000     1.000 peak  1177 spectrum    1 weight  0.10000E+01 volume  0.62116E-02 ppm1      8.651 ppm2      5.559 CV     1
 ASSI { 1178}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 3    and name HA  ))
      2.100     0.600     0.600 peak  1178 spectrum    1 weight  0.10000E+01 volume  0.26579E-01 ppm1      8.651 ppm2      4.960 CV     1
 ASSI { 1179}
   (( segid "    " and resid 129  and name HN  ))
   (( segid "    " and resid 127  and name HA  ))
      3.200     1.300     1.300 peak  1179 spectrum    1 weight  0.10000E+01 volume  0.85247E-02 ppm1      8.652 ppm2      4.548 CV     1
 ASSI { 1181}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 4    and name HB2 ))
      2.300     0.700     0.700 peak  1181 spectrum    1 weight  0.10000E+01 volume  0.13958E-01 ppm1      8.650 ppm2      2.733 CV     1
 ASSI { 1198}
   (( segid "    " and resid 155  and name HN  ))
   (( segid "    " and resid 156  and name HN  ))
      3.400     1.500     1.500 peak  1198 spectrum    1 weight  0.10000E+01 volume  0.56004E-02 ppm1      7.673 ppm2      9.312 CV     1
 ASSI { 1202}
   (( segid "    " and resid 155  and name HN  ))
   (  segid "    " and resid 40   and name HD% )
      4.500     2.600     1.500 peak  1202 spectrum    1 weight  0.10000E+01 volume  0.30957E-02 ppm1      7.673 ppm2      7.038 CV     1
 ASSI { 1203}
   (( segid "    " and resid 155  and name HN  ))
   (( segid "    " and resid 126  and name HD1 ))
      4.200     2.200     1.800 peak  1203 spectrum    1 weight  0.10000E+01 volume  0.42665E-02 ppm1      7.677 ppm2      6.716 CV     1
 ASSI { 1204}
   (( segid "    " and resid 155  and name HN  ))
   (( segid "    " and resid 155  and name HA  ))
      2.400     0.700     0.700 peak  1204 spectrum    1 weight  0.10000E+01 volume  0.98867E-02 ppm1      7.677 ppm2      4.454 CV     1
 ASSI { 1205}
   (( segid "    " and resid 155  and name HN  ))
   (( segid "    " and resid 154  and name HA  ))
      2.600     0.800     0.800 peak  1205 spectrum    1 weight  0.10000E+01 volume  0.38625E-01 ppm1      7.677 ppm2      2.963 CV     1
 ASSI { 1206}
   (( segid "    " and resid 155  and name HN  ))
   (( segid "    " and resid 154  and name HB1 ))
      1.800     0.400     0.400 peak  1206 spectrum    1 weight  0.10000E+01 volume  0.59792E-01 ppm1      7.677 ppm2      1.412 CV     1
 OR { 1206}
   (( segid "    " and resid 155  and name HN  ))
   (( segid "    " and resid 154  and name HB2 ))
 ASSI { 1207}
   (( segid "    " and resid 155  and name HN  ))
   (( segid "    " and resid 154  and name HG2 ))
      4.200     2.200     1.800 peak  1207 spectrum    1 weight  0.10000E+01 volume  0.81606E-02 ppm1      7.674 ppm2      1.200 CV     1
 ASSI { 1208}
   (( segid "    " and resid 155  and name HN  ))
   (( segid "    " and resid 154  and name HG1 ))
      3.900     1.900     1.900 peak  1208 spectrum    1 weight  0.10000E+01 volume  0.15773E-01 ppm1      7.678 ppm2      0.765 CV     1
 ASSI { 1209}
   (( segid "    " and resid 155  and name HN  ))
   (  segid "    " and resid 155  and name HD2%)
      3.500     1.500     1.500 peak  1209 spectrum    1 weight  0.10000E+01 volume  0.86968E-02 ppm1      7.677 ppm2      0.494 CV     1
 OR { 1209}
   (( segid "    " and resid 155  and name HN  ))
   (  segid "    " and resid 155  and name HD1%)
 ASSI { 1211}
   (( segid "    " and resid 151  and name HN  ))
   (( segid "    " and resid 149  and name HN  ))
      4.700     2.800     1.300 peak  1211 spectrum    1 weight  0.10000E+01 volume  0.22689E-02 ppm1      7.520 ppm2      8.353 CV     1
 ASSI { 1212}
   (( segid "    " and resid 151  and name HN  ))
   (( segid "    " and resid 150  and name HN  ))
      2.400     0.700     0.700 peak  1212 spectrum    1 weight  0.10000E+01 volume  0.12237E-01 ppm1      7.523 ppm2      7.854 CV     1
 ASSI { 1214}
   (( segid "    " and resid 151  and name HN  ))
   (( segid "    " and resid 152  and name HN  ))
      2.600     0.800     0.800 peak  1214 spectrum    1 weight  0.10000E+01 volume  0.15818E-01 ppm1      7.523 ppm2      7.202 CV     1
 ASSI { 1215}
   (( segid "    " and resid 151  and name HN  ))
   (  segid "    " and resid 152  and name HD% )
      3.800     1.800     1.800 peak  1215 spectrum    1 weight  0.10000E+01 volume  0.36382E-02 ppm1      7.525 ppm2      7.053 CV     1
 ASSI { 1216}
   (( segid "    " and resid 151  and name HN  ))
   (( segid "    " and resid 152  and name HA  ))
      6.000     6.000     0.000 peak  1216 spectrum    1 weight  0.10000E+01 volume  0.13423E-03 ppm1      7.520 ppm2      4.637 CV     1
 ASSI { 1217}
   (( segid "    " and resid 151  and name HN  ))
   (( segid "    " and resid 148  and name HA  ))
      4.200     2.200     1.800 peak  1217 spectrum    1 weight  0.10000E+01 volume  0.19589E-02 ppm1      7.522 ppm2      4.462 CV     1
 ASSI { 1219}
   (( segid "    " and resid 151  and name HN  ))
   (( segid "    " and resid 147  and name HA  ))
      2.900     1.100     1.100 peak  1219 spectrum    1 weight  0.10000E+01 volume  0.22608E-02 ppm1      7.521 ppm2      3.679 CV     1
 ASSI { 1220}
   (( segid "    " and resid 151  and name HN  ))
   (( segid "    " and resid 152  and name HB2 ))
      6.000     4.900     0.000 peak  1220 spectrum    1 weight  0.10000E+01 volume  0.42501E-03 ppm1      7.519 ppm2      3.365 CV     1
 ASSI { 1221}
   (( segid "    " and resid 151  and name HN  ))
   (( segid "    " and resid 150  and name HG2 ))
      3.800     1.800     1.800 peak  1221 spectrum    1 weight  0.10000E+01 volume  0.61121E-02 ppm1      7.520 ppm2      1.445 CV     1
 ASSI { 1224}
   (( segid "    " and resid 151  and name HN  ))
   (( segid "    " and resid 147  and name HG  ))
      4.000     2.000     2.000 peak  1224 spectrum    1 weight  0.10000E+01 volume  0.97573E-02 ppm1      7.522 ppm2      0.890 CV     1
 ASSI { 1225}
   (( segid "    " and resid 151  and name HN  ))
   (( segid "    " and resid 147  and name HB1 ))
      4.000     2.000     2.000 peak  1225 spectrum    1 weight  0.10000E+01 volume  0.15246E-02 ppm1      7.518 ppm2      0.689 CV     1
 ASSI { 1228}
   (( segid "    " and resid 122  and name HN  ))
   (( segid "    " and resid 123  and name HN  ))
      2.500     0.800     0.800 peak  1228 spectrum    1 weight  0.10000E+01 volume  0.83914E-02 ppm1      9.411 ppm2      6.955 CV     1
 ASSI { 1231}
   (( segid "    " and resid 122  and name HN  ))
   (( segid "    " and resid 154  and name HE1 ))
      3.000     1.100     1.100 peak  1231 spectrum    1 weight  0.10000E+01 volume  0.72826E-02 ppm1      9.412 ppm2      2.850 CV     1
 OR { 1231}
   (( segid "    " and resid 122  and name HN  ))
   (( segid "    " and resid 154  and name HE2 ))
 ASSI { 1232}
   (( segid "    " and resid 122  and name HN  ))
   (( segid "    " and resid 155  and name HG  ))
      3.700     1.800     1.800 peak  1232 spectrum    1 weight  0.10000E+01 volume  0.42358E-02 ppm1      9.413 ppm2      0.826 CV     1
 ASSI { 1235}
   (( segid "    " and resid 109  and name HN  ))
   (( segid "    " and resid 111  and name HG  ))
      6.000     6.000     0.000 peak  1235 spectrum    1 weight  0.10000E+01 volume  0.13247E-03 ppm1      8.881 ppm2      1.060 CV     1
 ASSI { 1238}
   (( segid "    " and resid 109  and name HN  ))
   (( segid "    " and resid 111  and name HN  ))
      3.600     1.600     1.600 peak  1238 spectrum    1 weight  0.10000E+01 volume  0.36590E-02 ppm1      8.875 ppm2      7.625 CV     1
 ASSI { 1240}
   (( segid "    " and resid 109  and name HN  ))
   (( segid "    " and resid 108  and name HB  ))
      2.100     0.500     0.500 peak  1240 spectrum    1 weight  0.10000E+01 volume  0.30055E-01 ppm1      8.876 ppm2      4.660 CV     1
 ASSI { 1241}
   (( segid "    " and resid 109  and name HN  ))
   (( segid "    " and resid 110  and name HA  ))
      6.000     4.700     0.000 peak  1241 spectrum    1 weight  0.10000E+01 volume  0.46483E-03 ppm1      8.878 ppm2      4.235 CV     1
 ASSI { 1242}
   (( segid "    " and resid 109  and name HN  ))
   (( segid "    " and resid 109  and name HA  ))
      2.700     0.900     0.900 peak  1242 spectrum    1 weight  0.10000E+01 volume  0.15308E-01 ppm1      8.875 ppm2      4.031 CV     1
 ASSI { 1243}
   (( segid "    " and resid 109  and name HN  ))
   (( segid "    " and resid 109  and name HG2 ))
      3.300     1.300     1.300 peak  1243 spectrum    1 weight  0.10000E+01 volume  0.89645E-02 ppm1      8.876 ppm2      2.302 CV     1
 ASSI { 1244}
   (( segid "    " and resid 109  and name HN  ))
   (( segid "    " and resid 109  and name HB2 ))
      2.300     0.700     0.700 peak  1244 spectrum    1 weight  0.10000E+01 volume  0.37471E-01 ppm1      8.875 ppm2      2.042 CV     1
 OR { 1244}
   (( segid "    " and resid 109  and name HN  ))
   (( segid "    " and resid 109  and name HB1 ))
 ASSI { 1245}
   (( segid "    " and resid 109  and name HN  ))
   (( segid "    " and resid 110  and name HG2 ))
      5.100     3.300     0.900 peak  1245 spectrum    1 weight  0.10000E+01 volume  0.21144E-02 ppm1      8.873 ppm2      1.786 CV     1
 OR { 1245}
   (( segid "    " and resid 109  and name HN  ))
   (( segid "    " and resid 110  and name HG1 ))
 ASSI { 1246}
   (( segid "    " and resid 109  and name HN  ))
   (  segid "    " and resid 108  and name HG2%)
      3.800     1.800     1.800 peak  1246 spectrum    1 weight  0.10000E+01 volume  0.16583E-01 ppm1      8.875 ppm2      1.220 CV     1
 ASSI { 1248}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 80   and name HE21))
      6.000     5.700     0.000 peak  1248 spectrum    1 weight  0.10000E+01 volume  0.44537E-03 ppm1      8.166 ppm2      7.894 CV     1
 ASSI { 1249}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 17   and name HE21))
      4.600     2.700     1.400 peak  1249 spectrum    1 weight  0.10000E+01 volume  0.36734E-02 ppm1      8.171 ppm2      7.704 CV     1
 ASSI { 1250}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 80   and name HE22))
      6.000     6.000     0.000 peak  1250 spectrum    1 weight  0.10000E+01 volume  0.42189E-03 ppm1      8.175 ppm2      7.439 CV     1
 ASSI { 1252}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 17   and name HE22))
      4.700     2.700     1.300 peak  1252 spectrum    1 weight  0.10000E+01 volume  0.60812E-02 ppm1      8.172 ppm2      6.841 CV     1
 ASSI { 1254}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 14   and name HA  ))
      3.400     1.500     1.500 peak  1254 spectrum    1 weight  0.10000E+01 volume  0.67957E-02 ppm1      8.167 ppm2      4.331 CV     1
 ASSI { 1255}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 16   and name HA  ))
      2.800     1.000     1.000 peak  1255 spectrum    1 weight  0.10000E+01 volume  0.10946E-01 ppm1      8.170 ppm2      4.100 CV     1
 ASSI { 1256}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 17   and name HA  ))
      2.600     0.900     0.900 peak  1256 spectrum    1 weight  0.10000E+01 volume  0.12074E-01 ppm1      8.170 ppm2      3.988 CV     1
 ASSI { 1258}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 17   and name HG2 ))
      2.600     0.800     0.800 peak  1258 spectrum    1 weight  0.10000E+01 volume  0.19140E-01 ppm1      8.171 ppm2      2.635 CV     1
 OR { 1258}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 17   and name HG1 ))
 ASSI { 1259}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 16   and name HB2 ))
      2.500     0.800     0.800 peak  1259 spectrum    1 weight  0.10000E+01 volume  0.17616E-01 ppm1      8.170 ppm2      2.288 CV     1
 ASSI { 1261}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 14   and name HB1 ))
      5.500     3.800     0.500 peak  1261 spectrum    1 weight  0.10000E+01 volume  0.10677E-02 ppm1      8.168 ppm2      1.872 CV     1
 ASSI { 1262}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 15   and name HB1 ))
      4.500     2.500     1.500 peak  1262 spectrum    1 weight  0.10000E+01 volume  0.31000E-02 ppm1      8.172 ppm2      1.711 CV     1
 ASSI { 1269}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 19   and name HD21))
      3.200     1.300     1.300 peak  1269 spectrum    1 weight  0.10000E+01 volume  0.59634E-02 ppm1      8.103 ppm2      7.394 CV     1
 ASSI { 1271}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 19   and name HD22))
      4.000     2.000     2.000 peak  1271 spectrum    1 weight  0.10000E+01 volume  0.50302E-02 ppm1      8.101 ppm2      6.769 CV     1
 ASSI { 1272}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 19   and name HA  ))
      3.000     1.100     1.100 peak  1272 spectrum    1 weight  0.10000E+01 volume  0.11088E-01 ppm1      8.101 ppm2      4.585 CV     1
 ASSI { 1273}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 16   and name HA  ))
      3.300     1.400     1.400 peak  1273 spectrum    1 weight  0.10000E+01 volume  0.10518E-01 ppm1      8.101 ppm2      4.107 CV     1
 ASSI { 1275}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 19   and name HB2 ))
      2.400     0.700     0.700 peak  1275 spectrum    1 weight  0.10000E+01 volume  0.17822E-01 ppm1      8.102 ppm2      2.851 CV     1
 ASSI { 1276}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 19   and name HB1 ))
      3.700     1.700     1.700 peak  1276 spectrum    1 weight  0.10000E+01 volume  0.12945E-01 ppm1      8.102 ppm2      2.684 CV     1
 ASSI { 1280}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 18   and name HB  ))
      2.600     0.900     0.900 peak  1280 spectrum    1 weight  0.10000E+01 volume  0.17037E-01 ppm1      8.102 ppm2      1.522 CV     1
 ASSI { 1283}
   (( segid "    " and resid 19   and name HN  ))
   (  segid "    " and resid 18   and name HG1%)
      3.800     1.800     1.800 peak  1283 spectrum    1 weight  0.10000E+01 volume  0.57589E-02 ppm1      8.101 ppm2      0.633 CV     1
 ASSI { 1284}
   (( segid "    " and resid 19   and name HN  ))
   (  segid "    " and resid 18   and name HG2%)
      3.900     1.900     1.900 peak  1284 spectrum    1 weight  0.10000E+01 volume  0.78969E-02 ppm1      8.102 ppm2      0.227 CV     1
 ASSI { 1285}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 80   and name HE21))
      4.900     3.100     1.100 peak  1285 spectrum    1 weight  0.10000E+01 volume  0.14628E-02 ppm1      8.096 ppm2      7.912 CV     1
 ASSI { 1292}
   (( segid "    " and resid 150  and name HN  ))
   (  segid "    " and resid 147  and name HD2%)
      6.000     4.500     0.000 peak  1292 spectrum    1 weight  0.10000E+01 volume  0.78511E-03 ppm1      7.861 ppm2     -0.537 CV     1
 ASSI { 1293}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 68   and name HN  ))
      4.000     2.000     2.000 peak  1293 spectrum    1 weight  0.10000E+01 volume  0.43736E-02 ppm1      7.844 ppm2      6.877 CV     1
 ASSI { 1294}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 70   and name HA  ))
      2.700     0.900     0.900 peak  1294 spectrum    1 weight  0.10000E+01 volume  0.80784E-02 ppm1      7.840 ppm2      4.580 CV     1
 ASSI { 1298}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 98   and name HG11))
      2.600     0.800     0.800 peak  1298 spectrum    1 weight  0.10000E+01 volume  0.15173E-01 ppm1      7.841 ppm2      1.860 CV     1
 ASSI { 1299}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 69   and name HG  ))
      3.400     1.500     1.500 peak  1299 spectrum    1 weight  0.10000E+01 volume  0.43089E-02 ppm1      7.842 ppm2      1.613 CV     1
 ASSI { 1301}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 98   and name HG12))
      2.700     0.900     0.900 peak  1301 spectrum    1 weight  0.10000E+01 volume  0.20336E-01 ppm1      7.842 ppm2      0.981 CV     1
 ASSI { 1305}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 69   and name HB2 ))
      3.500     1.600     1.600 peak  1305 spectrum    1 weight  0.10000E+01 volume  0.10620E-01 ppm1      7.836 ppm2      2.198 CV     1
 ASSI { 1306}
   (( segid "    " and resid 92   and name HN  ))
   (( segid "    " and resid 93   and name HN  ))
      4.600     2.600     1.400 peak  1306 spectrum    1 weight  0.10000E+01 volume  0.60501E-03 ppm1      9.324 ppm2      8.743 CV     1
 ASSI { 1307}
   (( segid "    " and resid 92   and name HN  ))
   (( segid "    " and resid 10   and name HN  ))
      5.300     3.500     0.700 peak  1307 spectrum    1 weight  0.10000E+01 volume  0.71441E-03 ppm1      9.326 ppm2      8.465 CV     1
 ASSI { 1308}
   (( segid "    " and resid 92   and name HN  ))
   (( segid "    " and resid 48   and name HE22))
      5.800     4.200     0.200 peak  1308 spectrum    1 weight  0.10000E+01 volume  0.43814E-03 ppm1      9.327 ppm2      7.791 CV     1
 ASSI { 1309}
   (( segid "    " and resid 92   and name HN  ))
   (( segid "    " and resid 91   and name HA  ))
      2.900     1.000     1.000 peak  1309 spectrum    1 weight  0.10000E+01 volume  0.11289E-01 ppm1      9.323 ppm2      4.735 CV     1
 ASSI { 1310}
   (( segid "    " and resid 92   and name HN  ))
   (( segid "    " and resid 92   and name HD2 ))
      3.900     1.900     1.900 peak  1310 spectrum    1 weight  0.10000E+01 volume  0.43251E-02 ppm1      9.323 ppm2      3.332 CV     1
 ASSI { 1311}
   (( segid "    " and resid 92   and name HN  ))
   (( segid "    " and resid 11   and name HB1 ))
      5.600     3.900     0.400 peak  1311 spectrum    1 weight  0.10000E+01 volume  0.16254E-02 ppm1      9.328 ppm2      0.947 CV     1
 ASSI { 1312}
   (( segid "    " and resid 92   and name HN  ))
   (( segid "    " and resid 11   and name HG  ))
      4.600     2.600     1.400 peak  1312 spectrum    1 weight  0.10000E+01 volume  0.18964E-02 ppm1      9.327 ppm2      0.821 CV     1
 ASSI { 1313}
   (( segid "    " and resid 92   and name HN  ))
   (  segid "    " and resid 11   and name HD1%)
      4.700     2.700     1.300 peak  1313 spectrum    1 weight  0.10000E+01 volume  0.29459E-02 ppm1      9.327 ppm2      0.744 CV     1
 OR { 1313}
   (( segid "    " and resid 92   and name HN  ))
   (  segid "    " and resid 11   and name HD2%)
 ASSI { 1314}
   (( segid "    " and resid 92   and name HN  ))
   (( segid "    " and resid 50   and name HN  ))
      3.200     3.200     2.800 peak  1314 spectrum    1 weight  0.10000E+01 volume  0.90642E-03 ppm1      9.322 ppm2      7.823 CV     1
 ASSI { 1315}
   (( segid "    " and resid 92   and name HN  ))
   (( segid "    " and resid 11   and name HN  ))
      4.300     2.300     1.700 peak  1315 spectrum    1 weight  0.10000E+01 volume  0.21019E-02 ppm1      9.319 ppm2      6.988 CV     1
 ASSI { 1316}
   (( segid "    " and resid 92   and name HN  ))
   (( segid "    " and resid 92   and name HA  ))
      2.800     1.000     1.000 peak  1316 spectrum    1 weight  0.10000E+01 volume  0.43808E-02 ppm1      9.321 ppm2      4.920 CV     1
 ASSI { 1318}
   (( segid "    " and resid 92   and name HN  ))
   (( segid "    " and resid 48   and name HB1 ))
      2.900     1.100     1.100 peak  1318 spectrum    1 weight  0.10000E+01 volume  0.97939E-02 ppm1      9.322 ppm2      2.055 CV     1
 ASSI { 1320}
   (( segid "    " and resid 92   and name HN  ))
   (( segid "    " and resid 92   and name HB2 ))
      4.100     2.100     1.900 peak  1320 spectrum    1 weight  0.10000E+01 volume  0.20864E-02 ppm1      9.317 ppm2      1.646 CV     1
 ASSI { 1325}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 11   and name HB1 ))
      4.000     2.000     2.000 peak  1325 spectrum    1 weight  0.10000E+01 volume  0.57742E-02 ppm1      8.156 ppm2      0.949 CV     1
 ASSI { 1331}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 77   and name HA  ))
      3.700     1.700     1.700 peak  1331 spectrum    1 weight  0.10000E+01 volume  0.25045E-02 ppm1      7.985 ppm2      3.759 CV     1
 ASSI { 1332}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 76   and name HA  ))
      4.400     2.400     1.600 peak  1332 spectrum    1 weight  0.10000E+01 volume  0.16185E-02 ppm1      7.976 ppm2      3.588 CV     1
 ASSI { 1334}
   (( segid "    " and resid 150  and name HN  ))
   (( segid "    " and resid 149  and name HN  ))
      2.300     0.700     0.700 peak  1334 spectrum    1 weight  0.10000E+01 volume  0.14688E-01 ppm1      7.857 ppm2      8.355 CV     1
 ASSI { 1341}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 73   and name HN  ))
      2.600     0.800     0.800 peak  1341 spectrum    1 weight  0.10000E+01 volume  0.12314E-01 ppm1      7.779 ppm2      9.344 CV     1
 ASSI { 1342}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 74   and name HN  ))
      5.400     3.700     0.600 peak  1342 spectrum    1 weight  0.10000E+01 volume  0.52766E-03 ppm1      7.775 ppm2      8.936 CV     1
 ASSI { 1345}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 72   and name HB2 ))
      2.700     0.900     0.900 peak  1345 spectrum    1 weight  0.10000E+01 volume  0.13206E-01 ppm1      7.779 ppm2      2.969 CV     1
 ASSI { 1346}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 71   and name HB1 ))
      2.800     1.000     1.000 peak  1346 spectrum    1 weight  0.10000E+01 volume  0.81786E-02 ppm1      7.779 ppm2      2.627 CV     1
 ASSI { 1352}
   (( segid "    " and resid 121  and name HN  ))
   (( segid "    " and resid 122  and name HN  ))
      5.800     4.200     0.200 peak  1352 spectrum    1 weight  0.10000E+01 volume  0.47018E-03 ppm1      6.995 ppm2      9.403 CV     1
 ASSI { 1354}
   (( segid "    " and resid 121  and name HN  ))
   (( segid "    " and resid 120  and name HN  ))
      2.600     0.800     0.800 peak  1354 spectrum    1 weight  0.10000E+01 volume  0.18061E-01 ppm1      6.998 ppm2      7.412 CV     1
 ASSI { 1357}
   (( segid "    " and resid 121  and name HN  ))
   (( segid "    " and resid 120  and name HA  ))
      3.200     1.300     1.300 peak  1357 spectrum    1 weight  0.10000E+01 volume  0.69473E-02 ppm1      6.998 ppm2      5.015 CV     1
 ASSI { 1358}
   (( segid "    " and resid 121  and name HN  ))
   (( segid "    " and resid 121  and name HA  ))
      2.800     1.000     1.000 peak  1358 spectrum    1 weight  0.10000E+01 volume  0.14875E-01 ppm1      6.999 ppm2      4.127 CV     1
 ASSI { 1359}
   (( segid "    " and resid 121  and name HN  ))
   (( segid "    " and resid 119  and name HA  ))
      2.800     1.000     1.000 peak  1359 spectrum    1 weight  0.10000E+01 volume  0.13651E-01 ppm1      6.998 ppm2      3.823 CV     1
 ASSI { 1361}
   (( segid "    " and resid 121  and name HN  ))
   (( segid "    " and resid 120  and name HB2 ))
      3.800     1.800     1.800 peak  1361 spectrum    1 weight  0.10000E+01 volume  0.71406E-02 ppm1      7.000 ppm2      2.494 CV     1
 ASSI { 1362}
   (( segid "    " and resid 121  and name HN  ))
   (( segid "    " and resid 121  and name HD1 ))
      4.200     2.200     1.800 peak  1362 spectrum    1 weight  0.10000E+01 volume  0.67210E-02 ppm1      6.997 ppm2      2.338 CV     1
 ASSI { 1366}
   (( segid "    " and resid 121  and name HN  ))
   (  segid "    " and resid 125  and name HD1%)
      3.600     1.600     1.600 peak  1366 spectrum    1 weight  0.10000E+01 volume  0.48178E-02 ppm1      6.999 ppm2      0.458 CV     1
 OR { 1366}
   (( segid "    " and resid 121  and name HN  ))
   (  segid "    " and resid 125  and name HD2%)
 ASSI { 1367}
   (( segid "    " and resid 121  and name HN  ))
   (( segid "    " and resid 125  and name HG  ))
      3.200     1.300     1.300 peak  1367 spectrum    1 weight  0.10000E+01 volume  0.56658E-02 ppm1      6.999 ppm2      0.335 CV     1
 ASSI { 1368}
   (( segid "    " and resid 121  and name HN  ))
   (( segid "    " and resid 121  and name HB1 ))
      3.800     1.800     1.800 peak  1368 spectrum    1 weight  0.10000E+01 volume  0.63735E-02 ppm1      6.999 ppm2     -0.665 CV     1
 ASSI { 1369}
   (( segid "    " and resid 121  and name HN  ))
   (( segid "    " and resid 124  and name HN  ))
      5.000     3.100     1.000 peak  1369 spectrum    1 weight  0.10000E+01 volume  0.11450E-02 ppm1      6.990 ppm2      6.522 CV     1
 ASSI { 1370}
   (( segid "    " and resid 92   and name HN  ))
   (( segid "    " and resid 10   and name HD21))
      5.600     3.900     0.400 peak  1370 spectrum    1 weight  0.10000E+01 volume  0.58534E-03 ppm1      9.327 ppm2      6.479 CV     1
 ASSI { 1372}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 11   and name HA  ))
      2.700     0.900     0.900 peak  1372 spectrum    1 weight  0.10000E+01 volume  0.17060E-01 ppm1      8.153 ppm2      4.493 CV     1
 ASSI { 1373}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 12   and name HA  ))
      2.700     0.900     0.900 peak  1373 spectrum    1 weight  0.10000E+01 volume  0.21633E-01 ppm1      8.152 ppm2      3.875 CV     1
 ASSI { 1375}
   (( segid "    " and resid 12   and name HN  ))
   (  segid "    " and resid 11   and name HD2%)
      3.800     1.800     1.800 peak  1375 spectrum    1 weight  0.10000E+01 volume  0.12932E-01 ppm1      8.152 ppm2      0.769 CV     1
 OR { 1375}
   (( segid "    " and resid 12   and name HN  ))
   (  segid "    " and resid 11   and name HD1%)
 ASSI { 1376}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 11   and name HN  ))
      4.400     2.400     1.600 peak  1376 spectrum    1 weight  0.10000E+01 volume  0.92601E-03 ppm1      8.147 ppm2      6.979 CV     1
 ASSI { 1377}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 14   and name HD2 ))
      5.500     3.800     0.500 peak  1377 spectrum    1 weight  0.10000E+01 volume  0.18630E-02 ppm1      8.148 ppm2      3.704 CV     1
 ASSI { 1378}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 14   and name HD1 ))
      4.100     2.100     1.900 peak  1378 spectrum    1 weight  0.10000E+01 volume  0.19083E-02 ppm1      8.148 ppm2      3.618 CV     1
 ASSI { 1382}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 75   and name HB2 ))
      3.000     3.000     3.000 peak  1382 spectrum    1 weight  0.10000E+01 volume  0.22106E-01 ppm1      7.986 ppm2      1.937 CV     1
 ASSI { 1387}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 78   and name HG  ))
      2.500     0.800     0.800 peak  1387 spectrum    1 weight  0.10000E+01 volume  0.12389E-01 ppm1      7.983 ppm2      0.976 CV     1
 ASSI { 1388}
   (( segid "    " and resid 78   and name HN  ))
   (  segid "    " and resid 76   and name HG2%)
      4.000     2.000     2.000 peak  1388 spectrum    1 weight  0.10000E+01 volume  0.53034E-02 ppm1      7.983 ppm2      0.812 CV     1
 ASSI { 1390}
   (( segid "    " and resid 78   and name HN  ))
   (  segid "    " and resid 96   and name HD2%)
      6.000     6.000     0.000 peak  1390 spectrum    1 weight  0.10000E+01 volume  0.14244E-03 ppm1      7.979 ppm2      1.136 CV     1
 OR { 1390}
   (( segid "    " and resid 78   and name HN  ))
   (  segid "    " and resid 96   and name HD1%)
 ASSI { 1391}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 71   and name HD21))
      5.000     3.100     1.000 peak  1391 spectrum    1 weight  0.10000E+01 volume  0.30931E-02 ppm1      7.780 ppm2      7.467 CV     1
 ASSI { 1394}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 69   and name HA  ))
      2.900     1.100     1.100 peak  1394 spectrum    1 weight  0.10000E+01 volume  0.66005E-02 ppm1      7.777 ppm2      4.187 CV     1
 ASSI { 1395}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 73   and name HB  ))
      6.000     5.700     0.000 peak  1395 spectrum    1 weight  0.10000E+01 volume  0.52785E-03 ppm1      7.779 ppm2      3.951 CV     1
 ASSI { 1396}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 72   and name HB1 ))
      3.000     1.100     1.100 peak  1396 spectrum    1 weight  0.10000E+01 volume  0.13921E-01 ppm1      7.777 ppm2      3.453 CV     1
 ASSI { 1400}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 64   and name HG  ))
      3.300     3.300     2.700 peak  1400 spectrum    1 weight  0.10000E+01 volume  0.20441E-01 ppm1      7.779 ppm2      0.786 CV     1
 ASSI { 1404}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 31   and name HB2 ))
      6.000     6.000     0.000 peak  1404 spectrum    1 weight  0.10000E+01 volume  0.17154E-03 ppm1      7.336 ppm2      3.625 CV     1
 OR { 1404}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 31   and name HB1 ))
 ASSI { 1405}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 25   and name HB2 ))
      5.800     4.200     0.200 peak  1405 spectrum    1 weight  0.10000E+01 volume  0.55394E-03 ppm1      7.335 ppm2      1.211 CV     1
 ASSI { 1427}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 25   and name HN  ))
      4.500     2.600     1.500 peak  1427 spectrum    1 weight  0.10000E+01 volume  0.19825E-02 ppm1      7.336 ppm2      9.357 CV     1
 ASSI { 1428}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 26   and name HN  ))
      2.500     0.800     0.800 peak  1428 spectrum    1 weight  0.10000E+01 volume  0.17812E-01 ppm1      7.334 ppm2      7.500 CV     1
 ASSI { 1430}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 28   and name HN  ))
      2.300     0.600     0.600 peak  1430 spectrum    1 weight  0.10000E+01 volume  0.25091E-01 ppm1      7.334 ppm2      7.157 CV     1
 ASSI { 1431}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 27   and name HA  ))
      2.900     1.000     1.000 peak  1431 spectrum    1 weight  0.10000E+01 volume  0.17964E-01 ppm1      7.334 ppm2      4.946 CV     1
 ASSI { 1432}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 24   and name HA  ))
      3.100     1.200     1.200 peak  1432 spectrum    1 weight  0.10000E+01 volume  0.77583E-02 ppm1      7.335 ppm2      4.201 CV     1
 ASSI { 1433}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 26   and name HA1 ))
      2.700     0.900     0.900 peak  1433 spectrum    1 weight  0.10000E+01 volume  0.19504E-01 ppm1      7.335 ppm2      3.879 CV     1
 ASSI { 1434}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 27   and name HB2 ))
      2.800     1.000     1.000 peak  1434 spectrum    1 weight  0.10000E+01 volume  0.18686E-01 ppm1      7.335 ppm2      2.930 CV     1
 ASSI { 1435}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 27   and name HB1 ))
      2.500     0.800     0.800 peak  1435 spectrum    1 weight  0.10000E+01 volume  0.26604E-01 ppm1      7.335 ppm2      2.589 CV     1
 ASSI { 1436}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 28   and name HG12))
      3.800     1.800     1.800 peak  1436 spectrum    1 weight  0.10000E+01 volume  0.81966E-02 ppm1      7.334 ppm2      2.097 CV     1
 OR { 1436}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 28   and name HG11))
 ASSI { 1447}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 11   and name HA  ))
      3.100     1.200     1.200 peak  1447 spectrum    1 weight  0.10000E+01 volume  0.63326E-02 ppm1      6.983 ppm2      4.484 CV     1
 ASSI { 1449}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 93   and name HA  ))
      3.100     1.200     1.200 peak  1449 spectrum    1 weight  0.10000E+01 volume  0.77739E-02 ppm1      6.981 ppm2      4.011 CV     1
 ASSI { 1451}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 11   and name HB1 ))
      3.800     1.800     1.800 peak  1451 spectrum    1 weight  0.10000E+01 volume  0.66893E-02 ppm1      6.979 ppm2      0.950 CV     1
 ASSI { 1452}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 13   and name HN  ))
      6.000     5.800     0.000 peak  1452 spectrum    1 weight  0.10000E+01 volume  0.31857E-03 ppm1      6.978 ppm2      8.729 CV     1
 ASSI { 1454}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 65   and name HN  ))
      4.500     2.500     1.500 peak  1454 spectrum    1 weight  0.10000E+01 volume  0.26491E-02 ppm1      6.881 ppm2      8.379 CV     1
 ASSI { 1456}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 66   and name HA  ))
      4.100     2.100     1.900 peak  1456 spectrum    1 weight  0.10000E+01 volume  0.31463E-02 ppm1      6.880 ppm2      3.359 CV     1
 ASSI { 1457}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 66   and name HB1 ))
      6.000     4.700     0.000 peak  1457 spectrum    1 weight  0.10000E+01 volume  0.81111E-03 ppm1      6.878 ppm2      0.559 CV     1
 ASSI { 1466}
   (( segid "    " and resid 89   and name HN  ))
   (( segid "    " and resid 50   and name HE22))
      6.000     6.000     0.000 peak  1466 spectrum    1 weight  0.10000E+01 volume  0.45022E-03 ppm1      9.366 ppm2      7.094 CV     1
 ASSI { 1467}
   (( segid "    " and resid 89   and name HN  ))
   (( segid "    " and resid 89   and name HA  ))
      4.900     2.900     1.100 peak  1467 spectrum    1 weight  0.10000E+01 volume  0.53582E-03 ppm1      9.362 ppm2      4.449 CV     1
 ASSI { 1470}
   (( segid "    " and resid 89   and name HN  ))
   (( segid "    " and resid 88   and name HA  ))
      3.500     1.500     1.500 peak  1470 spectrum    1 weight  0.10000E+01 volume  0.63129E-02 ppm1      9.354 ppm2      4.073 CV     1
 ASSI { 1471}
   (( segid "    " and resid 89   and name HN  ))
   (( segid "    " and resid 89   and name HB2 ))
      4.500     2.500     1.500 peak  1471 spectrum    1 weight  0.10000E+01 volume  0.86460E-03 ppm1      9.353 ppm2      3.564 CV     1
 OR { 1471}
   (( segid "    " and resid 89   and name HN  ))
   (( segid "    " and resid 89   and name HB1 ))
 ASSI { 1474}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 42   and name HN  ))
      5.300     3.500     0.700 peak  1474 spectrum    1 weight  0.10000E+01 volume  0.40852E-03 ppm1      8.829 ppm2     10.281 CV     1
 ASSI { 1476}
   (( segid "    " and resid 53   and name HN  ))
   (  segid "    " and resid 53   and name HD% )
      2.900     1.100     1.100 peak  1476 spectrum    1 weight  0.10000E+01 volume  0.69279E-02 ppm1      8.834 ppm2      6.527 CV     1
 ASSI { 1479}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 44   and name HD1 ))
      3.000     1.100     1.100 peak  1479 spectrum    1 weight  0.10000E+01 volume  0.42098E-02 ppm1      8.839 ppm2      4.106 CV     1
 ASSI { 1480}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 44   and name HD2 ))
      4.600     2.600     1.400 peak  1480 spectrum    1 weight  0.10000E+01 volume  0.15599E-02 ppm1      8.835 ppm2      3.826 CV     1
 ASSI { 1481}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 53   and name HB1 ))
      2.800     1.000     1.000 peak  1481 spectrum    1 weight  0.10000E+01 volume  0.63749E-02 ppm1      8.836 ppm2      2.892 CV     1
 ASSI { 1482}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 52   and name HB2 ))
      4.100     2.100     1.900 peak  1482 spectrum    1 weight  0.10000E+01 volume  0.41530E-02 ppm1      8.837 ppm2      2.631 CV     1
 ASSI { 1483}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 44   and name HG1 ))
      3.200     1.300     1.300 peak  1483 spectrum    1 weight  0.10000E+01 volume  0.90002E-02 ppm1      8.835 ppm2      2.206 CV     1
 OR { 1483}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 44   and name HG2 ))
 ASSI { 1515}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 72   and name HD2 ))
      6.000     5.200     0.000 peak  1515 spectrum    1 weight  0.10000E+01 volume  0.81292E-03 ppm1      6.880 ppm2      7.241 CV     1
 ASSI { 1518}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 68   and name HA  ))
      2.700     0.900     0.900 peak  1518 spectrum    1 weight  0.10000E+01 volume  0.11040E-01 ppm1      6.879 ppm2      4.345 CV     1
 ASSI { 1519}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 69   and name HA  ))
      4.700     2.700     1.300 peak  1519 spectrum    1 weight  0.10000E+01 volume  0.30695E-02 ppm1      6.879 ppm2      4.211 CV     1
 ASSI { 1521}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 68   and name HG2 ))
      3.900     1.900     1.900 peak  1521 spectrum    1 weight  0.10000E+01 volume  0.10098E-01 ppm1      6.877 ppm2      2.409 CV     1
 OR { 1521}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 68   and name HG1 ))
 ASSI { 1522}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 69   and name HB2 ))
      3.100     3.100     2.900 peak  1522 spectrum    1 weight  0.10000E+01 volume  0.37557E-01 ppm1      6.878 ppm2      2.221 CV     1
 ASSI { 1523}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 67   and name HB2 ))
      3.400     1.400     1.400 peak  1523 spectrum    1 weight  0.10000E+01 volume  0.14499E-01 ppm1      6.878 ppm2      1.852 CV     1
 OR { 1523}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 67   and name HB1 ))
 ASSI { 1525}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 66   and name HB2 ))
      3.700     1.800     1.800 peak  1525 spectrum    1 weight  0.10000E+01 volume  0.94884E-02 ppm1      6.879 ppm2      1.300 CV     1
 ASSI { 1528}
   (( segid "    " and resid 68   and name HN  ))
   (  segid "    " and resid 64   and name HD1%)
      3.900     1.900     1.900 peak  1528 spectrum    1 weight  0.10000E+01 volume  0.51525E-02 ppm1      6.879 ppm2      0.720 CV     1
 OR { 1528}
   (( segid "    " and resid 68   and name HN  ))
   (  segid "    " and resid 64   and name HD2%)
 ASSI { 1531}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 65   and name HA  ))
      5.500     3.800     0.500 peak  1531 spectrum    1 weight  0.10000E+01 volume  0.92588E-03 ppm1      6.873 ppm2      4.604 CV     1
 ASSI { 1534}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 43   and name HA  ))
      5.300     3.500     0.700 peak  1534 spectrum    1 weight  0.10000E+01 volume  0.82137E-03 ppm1      8.832 ppm2      5.109 CV     1
 ASSI { 1535}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 53   and name HA  ))
      3.300     1.400     1.400 peak  1535 spectrum    1 weight  0.10000E+01 volume  0.36402E-02 ppm1      8.835 ppm2      4.364 CV     1
 ASSI { 1539}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 24   and name HN  ))
      4.000     2.000     2.000 peak  1539 spectrum    1 weight  0.10000E+01 volume  0.46082E-02 ppm1      8.513 ppm2      7.914 CV     1
 ASSI { 1540}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 23   and name HN  ))
      2.400     0.700     0.700 peak  1540 spectrum    1 weight  0.10000E+01 volume  0.15545E-01 ppm1      8.511 ppm2      7.419 CV     1
 ASSI { 1542}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 19   and name HA  ))
      3.800     1.800     1.800 peak  1542 spectrum    1 weight  0.10000E+01 volume  0.52597E-02 ppm1      8.513 ppm2      4.582 CV     1
 ASSI { 1543}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 21   and name HA  ))
      3.300     1.300     1.300 peak  1543 spectrum    1 weight  0.10000E+01 volume  0.56937E-02 ppm1      8.513 ppm2      4.137 CV     1
 ASSI { 1544}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 22   and name HA  ))
      2.600     0.800     0.800 peak  1544 spectrum    1 weight  0.10000E+01 volume  0.14695E-01 ppm1      8.512 ppm2      3.966 CV     1
 ASSI { 1545}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 18   and name HA  ))
      3.900     1.900     1.900 peak  1545 spectrum    1 weight  0.10000E+01 volume  0.27086E-02 ppm1      8.512 ppm2      3.424 CV     1
 ASSI { 1546}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 19   and name HB1 ))
      6.000     5.100     0.000 peak  1546 spectrum    1 weight  0.10000E+01 volume  0.41000E-03 ppm1      8.507 ppm2      2.697 CV     1
 ASSI { 1548}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 22   and name HG  ))
      1.800     0.400     0.400 peak  1548 spectrum    1 weight  0.10000E+01 volume  0.31317E-01 ppm1      8.512 ppm2      1.913 CV     1
 ASSI { 1551}
   (( segid "    " and resid 22   and name HN  ))
   (  segid "    " and resid 22   and name HD1%)
      3.500     1.600     1.600 peak  1551 spectrum    1 weight  0.10000E+01 volume  0.15664E-01 ppm1      8.511 ppm2      1.129 CV     1
 ASSI { 1553}
   (( segid "    " and resid 22   and name HN  ))
   (  segid "    " and resid 7    and name HD1%)
      3.600     1.700     1.700 peak  1553 spectrum    1 weight  0.10000E+01 volume  0.39369E-02 ppm1      8.511 ppm2      0.694 CV     1
 ASSI { 1555}
   (( segid "    " and resid 104  and name HN  ))
   (( segid "    " and resid 103  and name HN  ))
      2.300     0.600     0.600 peak  1555 spectrum    1 weight  0.10000E+01 volume  0.17036E-01 ppm1      8.326 ppm2      9.231 CV     1
 ASSI { 1556}
   (( segid "    " and resid 104  and name HN  ))
   (  segid "    " and resid 101  and name HD% )
      4.300     2.300     1.700 peak  1556 spectrum    1 weight  0.10000E+01 volume  0.37870E-02 ppm1      8.327 ppm2      7.022 CV     1
 ASSI { 1557}
   (( segid "    " and resid 104  and name HN  ))
   (( segid "    " and resid 103  and name HA  ))
      3.200     1.200     1.200 peak  1557 spectrum    1 weight  0.10000E+01 volume  0.96304E-02 ppm1      8.325 ppm2      5.173 CV     1
 ASSI { 1560}
   (( segid "    " and resid 104  and name HN  ))
   (( segid "    " and resid 104  and name HA  ))
      2.700     0.900     0.900 peak  1560 spectrum    1 weight  0.10000E+01 volume  0.13606E-01 ppm1      8.327 ppm2      4.261 CV     1
 ASSI { 1561}
   (( segid "    " and resid 104  and name HN  ))
   (( segid "    " and resid 102  and name HA1 ))
      3.600     1.600     1.600 peak  1561 spectrum    1 weight  0.10000E+01 volume  0.12175E-01 ppm1      8.325 ppm2      3.879 CV     1
 ASSI { 1563}
   (( segid "    " and resid 104  and name HN  ))
   (( segid "    " and resid 103  and name HB2 ))
      4.500     2.500     1.500 peak  1563 spectrum    1 weight  0.10000E+01 volume  0.34191E-02 ppm1      8.325 ppm2      2.997 CV     1
 ASSI { 1565}
   (( segid "    " and resid 104  and name HN  ))
   (( segid "    " and resid 104  and name HB2 ))
      2.900     1.000     1.000 peak  1565 spectrum    1 weight  0.10000E+01 volume  0.23021E-01 ppm1      8.326 ppm2      2.393 CV     1
 ASSI { 1566}
   (( segid "    " and resid 104  and name HN  ))
   (( segid "    " and resid 104  and name HB1 ))
      2.700     0.900     0.900 peak  1566 spectrum    1 weight  0.10000E+01 volume  0.15475E-01 ppm1      8.326 ppm2      2.178 CV     1
 ASSI { 1569}
   (( segid "    " and resid 104  and name HN  ))
   (  segid "    " and resid 105  and name HG2%)
      3.700     1.700     1.700 peak  1569 spectrum    1 weight  0.10000E+01 volume  0.62007E-02 ppm1      8.324 ppm2      1.042 CV     1
 OR { 1569}
   (( segid "    " and resid 104  and name HN  ))
   (  segid "    " and resid 105  and name HG1%)
 ASSI { 1570}
   (( segid "    " and resid 104  and name HN  ))
   (  segid "    " and resid 113  and name HG1%)
      6.000     5.600     0.000 peak  1570 spectrum    1 weight  0.10000E+01 volume  0.17756E-03 ppm1      8.324 ppm2      0.874 CV     1
 ASSI { 1572}
   (( segid "    " and resid 104  and name HN  ))
   (( segid "    " and resid 66   and name HB1 ))
      4.000     2.000     2.000 peak  1572 spectrum    1 weight  0.10000E+01 volume  0.75440E-02 ppm1      8.328 ppm2      0.581 CV     1
 ASSI { 1582}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 41   and name HG1 ))
      5.900     4.300     0.100 peak  1582 spectrum    1 weight  0.10000E+01 volume  0.46164E-03 ppm1      8.043 ppm2      1.291 CV     1
 ASSI { 1584}
   (( segid "    " and resid 124  and name HN  ))
   (( segid "    " and resid 125  and name HN  ))
      2.400     0.700     0.700 peak  1584 spectrum    1 weight  0.10000E+01 volume  0.12762E-01 ppm1      6.514 ppm2      7.611 CV     1
 ASSI { 1585}
   (( segid "    " and resid 124  and name HN  ))
   (( segid "    " and resid 123  and name HN  ))
      2.400     0.700     0.700 peak  1585 spectrum    1 weight  0.10000E+01 volume  0.90943E-02 ppm1      6.515 ppm2      6.944 CV     1
 ASSI { 1592}
   (( segid "    " and resid 124  and name HN  ))
   (( segid "    " and resid 124  and name HB2 ))
      2.500     0.800     0.800 peak  1592 spectrum    1 weight  0.10000E+01 volume  0.11065E-01 ppm1      6.514 ppm2      2.167 CV     1
 OR { 1592}
   (( segid "    " and resid 124  and name HN  ))
   (( segid "    " and resid 124  and name HB1 ))
 ASSI { 1596}
   (( segid "    " and resid 124  and name HN  ))
   (( segid "    " and resid 125  and name HB1 ))
      5.700     4.000     0.300 peak  1596 spectrum    1 weight  0.10000E+01 volume  0.25288E-02 ppm1      6.515 ppm2      1.027 CV     1
 ASSI { 1597}
   (( segid "    " and resid 124  and name HN  ))
   (( segid "    " and resid 125  and name HB2 ))
      4.500     2.500     1.500 peak  1597 spectrum    1 weight  0.10000E+01 volume  0.25990E-02 ppm1      6.515 ppm2      0.970 CV     1
 ASSI { 1599}
   (( segid "    " and resid 124  and name HN  ))
   (( segid "    " and resid 121  and name HB2 ))
      3.500     1.500     1.500 peak  1599 spectrum    1 weight  0.10000E+01 volume  0.38032E-02 ppm1      6.514 ppm2      0.863 CV     1
 ASSI { 1600}
   (( segid "    " and resid 124  and name HN  ))
   (( segid "    " and resid 155  and name HG  ))
      4.600     2.600     1.400 peak  1600 spectrum    1 weight  0.10000E+01 volume  0.30207E-02 ppm1      6.518 ppm2      0.803 CV     1
 ASSI { 1601}
   (( segid "    " and resid 124  and name HN  ))
   (  segid "    " and resid 125  and name HD2%)
      4.600     2.600     1.400 peak  1601 spectrum    1 weight  0.10000E+01 volume  0.55321E-02 ppm1      6.515 ppm2      0.470 CV     1
 OR { 1601}
   (( segid "    " and resid 124  and name HN  ))
   (  segid "    " and resid 125  and name HD1%)
 ASSI { 1602}
   (( segid "    " and resid 124  and name HN  ))
   (( segid "    " and resid 121  and name HB1 ))
      4.100     2.200     1.900 peak  1602 spectrum    1 weight  0.10000E+01 volume  0.32465E-02 ppm1      6.513 ppm2     -0.664 CV     1
 ASSI { 1605}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 53   and name HN  ))
      3.600     1.600     1.600 peak  1605 spectrum    1 weight  0.10000E+01 volume  0.22245E-02 ppm1      8.044 ppm2      8.837 CV     1
 ASSI { 1607}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 44   and name HD1 ))
      4.400     2.500     1.600 peak  1607 spectrum    1 weight  0.10000E+01 volume  0.19008E-02 ppm1      8.041 ppm2      4.109 CV     1
 ASSI { 1609}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 52   and name HB2 ))
      3.300     1.400     1.400 peak  1609 spectrum    1 weight  0.10000E+01 volume  0.49958E-02 ppm1      8.042 ppm2      2.668 CV     1
 ASSI { 1610}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 52   and name HB1 ))
      2.900     1.100     1.100 peak  1610 spectrum    1 weight  0.10000E+01 volume  0.22348E-01 ppm1      8.040 ppm2      2.430 CV     1
 ASSI { 1611}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 51   and name HB2 ))
      2.400     0.700     0.700 peak  1611 spectrum    1 weight  0.10000E+01 volume  0.13738E-01 ppm1      8.040 ppm2      2.151 CV     1
 OR { 1611}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 51   and name HG2 ))
 ASSI { 1612}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 51   and name HG1 ))
      4.400     2.400     1.600 peak  1612 spectrum    1 weight  0.10000E+01 volume  0.61581E-02 ppm1      8.040 ppm2      1.864 CV     1
 ASSI { 1613}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 41   and name HG2 ))
      5.500     3.800     0.500 peak  1613 spectrum    1 weight  0.10000E+01 volume  0.75916E-03 ppm1      8.040 ppm2      1.627 CV     1
 ASSI { 1619}
   (( segid "    " and resid 152  and name HN  ))
   (( segid "    " and resid 126  and name HA  ))
      5.000     3.200     1.000 peak  1619 spectrum    1 weight  0.10000E+01 volume  0.10868E-02 ppm1      7.228 ppm2      4.803 CV     1
 ASSI { 1622}
   (( segid "    " and resid 152  and name HN  ))
   (( segid "    " and resid 154  and name HB2 ))
      4.400     2.400     1.600 peak  1622 spectrum    1 weight  0.10000E+01 volume  0.17634E-02 ppm1      7.216 ppm2      1.428 CV     1
 OR { 1622}
   (( segid "    " and resid 152  and name HN  ))
   (( segid "    " and resid 154  and name HB1 ))
 ASSI { 1624}
   (( segid "    " and resid 152  and name HN  ))
   (( segid "    " and resid 153  and name HN  ))
      3.400     1.400     1.400 peak  1624 spectrum    1 weight  0.10000E+01 volume  0.61930E-02 ppm1      7.209 ppm2      8.738 CV     1
 ASSI { 1625}
   (( segid "    " and resid 152  and name HN  ))
   (( segid "    " and resid 126  and name HE3 ))
      4.300     2.300     1.700 peak  1625 spectrum    1 weight  0.10000E+01 volume  0.94308E-03 ppm1      7.207 ppm2      7.845 CV     1
 ASSI { 1628}
   (( segid "    " and resid 152  and name HN  ))
   (  segid "    " and resid 152  and name HD% )
      2.700     0.900     0.900 peak  1628 spectrum    1 weight  0.10000E+01 volume  0.14841E-01 ppm1      7.209 ppm2      7.045 CV     1
 ASSI { 1631}
   (( segid "    " and resid 152  and name HN  ))
   (( segid "    " and resid 152  and name HA  ))
      2.700     0.900     0.900 peak  1631 spectrum    1 weight  0.10000E+01 volume  0.17341E-01 ppm1      7.208 ppm2      4.630 CV     1
 ASSI { 1632}
   (( segid "    " and resid 152  and name HN  ))
   (( segid "    " and resid 151  and name HA  ))
      2.200     0.600     0.600 peak  1632 spectrum    1 weight  0.10000E+01 volume  0.35913E-01 ppm1      7.208 ppm2      4.078 CV     1
 ASSI { 1633}
   (( segid "    " and resid 152  and name HN  ))
   (( segid "    " and resid 147  and name HA  ))
      4.300     2.300     1.700 peak  1633 spectrum    1 weight  0.10000E+01 volume  0.25796E-02 ppm1      7.209 ppm2      3.684 CV     1
 ASSI { 1634}
   (( segid "    " and resid 152  and name HN  ))
   (( segid "    " and resid 152  and name HB2 ))
      2.600     0.800     0.800 peak  1634 spectrum    1 weight  0.10000E+01 volume  0.16728E-01 ppm1      7.208 ppm2      3.379 CV     1
 ASSI { 1635}
   (( segid "    " and resid 152  and name HN  ))
   (( segid "    " and resid 152  and name HB1 ))
      3.100     1.200     1.200 peak  1635 spectrum    1 weight  0.10000E+01 volume  0.22799E-01 ppm1      7.208 ppm2      2.672 CV     1
 ASSI { 1636}
   (( segid "    " and resid 152  and name HN  ))
   (  segid "    " and resid 151  and name HB% )
      3.500     1.500     1.500 peak  1636 spectrum    1 weight  0.10000E+01 volume  0.16535E-01 ppm1      7.208 ppm2      1.203 CV     1
 ASSI { 1637}
   (( segid "    " and resid 152  and name HN  ))
   (( segid "    " and resid 147  and name HG  ))
      4.200     2.200     1.800 peak  1637 spectrum    1 weight  0.10000E+01 volume  0.69892E-02 ppm1      7.212 ppm2      0.900 CV     1
 ASSI { 1639}
   (( segid "    " and resid 152  and name HN  ))
   (  segid "    " and resid 147  and name HD2%)
      3.100     1.200     1.200 peak  1639 spectrum    1 weight  0.10000E+01 volume  0.36103E-02 ppm1      7.210 ppm2     -0.546 CV     1
 ASSI { 1664}
   (( segid "    " and resid 126  and name HN  ))
   (( segid "    " and resid 126  and name HE3 ))
      4.800     2.900     1.200 peak  1664 spectrum    1 weight  0.10000E+01 volume  0.24409E-02 ppm1      8.705 ppm2      7.801 CV     1
 ASSI { 1665}
   (( segid "    " and resid 126  and name HN  ))
   (( segid "    " and resid 125  and name HN  ))
      3.000     1.100     1.100 peak  1665 spectrum    1 weight  0.10000E+01 volume  0.67502E-02 ppm1      8.704 ppm2      7.626 CV     1
 ASSI { 1667}
   (( segid "    " and resid 126  and name HN  ))
   (( segid "    " and resid 126  and name HD1 ))
      4.000     2.000     2.000 peak  1667 spectrum    1 weight  0.10000E+01 volume  0.54983E-02 ppm1      8.706 ppm2      6.713 CV     1
 ASSI { 1668}
   (( segid "    " and resid 126  and name HN  ))
   (( segid "    " and resid 124  and name HN  ))
      3.700     1.700     1.700 peak  1668 spectrum    1 weight  0.10000E+01 volume  0.60637E-02 ppm1      8.705 ppm2      6.532 CV     1
 ASSI { 1669}
   (( segid "    " and resid 126  and name HN  ))
   (( segid "    " and resid 126  and name HA  ))
      2.700     0.900     0.900 peak  1669 spectrum    1 weight  0.10000E+01 volume  0.11726E-01 ppm1      8.707 ppm2      4.787 CV     1
 ASSI { 1670}
   (( segid "    " and resid 126  and name HN  ))
   (( segid "    " and resid 123  and name HA  ))
      4.200     2.200     1.800 peak  1670 spectrum    1 weight  0.10000E+01 volume  0.24099E-02 ppm1      8.706 ppm2      4.354 CV     1
 ASSI { 1673}
   (( segid "    " and resid 126  and name HN  ))
   (( segid "    " and resid 127  and name HD1 ))
      2.600     0.800     0.800 peak  1673 spectrum    1 weight  0.10000E+01 volume  0.11533E-01 ppm1      8.704 ppm2      3.393 CV     1
 ASSI { 1674}
   (( segid "    " and resid 126  and name HN  ))
   (( segid "    " and resid 126  and name HB1 ))
      2.200     0.600     0.600 peak  1674 spectrum    1 weight  0.10000E+01 volume  0.37612E-01 ppm1      8.704 ppm2      3.148 CV     1
 ASSI { 1675}
   (( segid "    " and resid 126  and name HN  ))
   (( segid "    " and resid 126  and name HB2 ))
      2.400     0.700     0.700 peak  1675 spectrum    1 weight  0.10000E+01 volume  0.21740E-01 ppm1      8.706 ppm2      2.953 CV     1
 ASSI { 1677}
   (( segid "    " and resid 126  and name HN  ))
   (( segid "    " and resid 128  and name HB2 ))
      4.100     2.100     1.900 peak  1677 spectrum    1 weight  0.10000E+01 volume  0.39323E-02 ppm1      8.707 ppm2      2.025 CV     1
 ASSI { 1680}
   (( segid "    " and resid 126  and name HN  ))
   (( segid "    " and resid 154  and name HB2 ))
      3.800     3.800     2.200 peak  1680 spectrum    1 weight  0.10000E+01 volume  0.86820E-02 ppm1      8.707 ppm2      1.407 CV     1
 OR { 1680}
   (( segid "    " and resid 126  and name HN  ))
   (( segid "    " and resid 154  and name HB1 ))
 ASSI { 1681}
   (( segid "    " and resid 126  and name HN  ))
   (( segid "    " and resid 125  and name HB2 ))
      2.300     0.600     0.600 peak  1681 spectrum    1 weight  0.10000E+01 volume  0.15530E-01 ppm1      8.704 ppm2      0.958 CV     1
 ASSI { 1682}
   (( segid "    " and resid 126  and name HN  ))
   (( segid "    " and resid 155  and name HG  ))
      3.900     1.900     1.900 peak  1682 spectrum    1 weight  0.10000E+01 volume  0.62994E-02 ppm1      8.702 ppm2      0.790 CV     1
 ASSI { 1684}
   (( segid "    " and resid 126  and name HN  ))
   (( segid "    " and resid 125  and name HG  ))
      4.300     2.300     1.700 peak  1684 spectrum    1 weight  0.10000E+01 volume  0.52931E-02 ppm1      8.709 ppm2      0.334 CV     1
 ASSI { 1686}
   (( segid "    " and resid 126  and name HN  ))
   (  segid "    " and resid 147  and name HD2%)
      3.900     1.900     1.900 peak  1686 spectrum    1 weight  0.10000E+01 volume  0.34387E-02 ppm1      8.703 ppm2     -0.553 CV     1
 ASSI { 1688}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 50   and name HA  ))
      2.500     0.800     0.800 peak  1688 spectrum    1 weight  0.10000E+01 volume  0.74833E-02 ppm1      7.823 ppm2      4.878 CV     1
 ASSI { 1689}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 49   and name HA  ))
      2.800     1.000     1.000 peak  1689 spectrum    1 weight  0.10000E+01 volume  0.27259E-01 ppm1      7.822 ppm2      4.670 CV     1
 ASSI { 1691}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 44   and name HD2 ))
      4.100     2.100     1.900 peak  1691 spectrum    1 weight  0.10000E+01 volume  0.52742E-02 ppm1      7.821 ppm2      3.840 CV     1
 ASSI { 1692}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 51   and name HD2 ))
      4.000     4.000     2.000 peak  1692 spectrum    1 weight  0.10000E+01 volume  0.30179E-02 ppm1      7.817 ppm2      3.421 CV     1
 ASSI { 1693}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 49   and name HB2 ))
      3.400     1.500     1.500 peak  1693 spectrum    1 weight  0.10000E+01 volume  0.17477E-01 ppm1      7.817 ppm2      2.670 CV     1
 ASSI { 1694}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 50   and name HG2 ))
      2.800     1.000     1.000 peak  1694 spectrum    1 weight  0.10000E+01 volume  0.13640E-01 ppm1      7.819 ppm2      2.358 CV     1
 OR { 1694}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 50   and name HG1 ))
 ASSI { 1696}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 69   and name HN  ))
      5.200     3.400     0.800 peak  1696 spectrum    1 weight  0.10000E+01 volume  0.35027E-03 ppm1      7.799 ppm2      8.232 CV     1
 ASSI { 1698}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 73   and name HN  ))
      5.200     3.400     0.800 peak  1698 spectrum    1 weight  0.10000E+01 volume  0.68734E-03 ppm1      7.792 ppm2      9.338 CV     1
 ASSI { 1699}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 71   and name HD21))
      4.200     2.200     1.800 peak  1699 spectrum    1 weight  0.10000E+01 volume  0.60754E-02 ppm1      7.793 ppm2      7.457 CV     1
 ASSI { 1702}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 67   and name HA  ))
      3.600     1.600     1.600 peak  1702 spectrum    1 weight  0.10000E+01 volume  0.32669E-02 ppm1      7.796 ppm2      3.656 CV     1
 ASSI { 1703}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 71   and name HB2 ))
      2.500     0.800     0.800 peak  1703 spectrum    1 weight  0.10000E+01 volume  0.15061E-01 ppm1      7.795 ppm2      3.090 CV     1
 ASSI { 1707}
   (( segid "    " and resid 71   and name HN  ))
   (  segid "    " and resid 70   and name HD1%)
      4.300     2.300     1.700 peak  1707 spectrum    1 weight  0.10000E+01 volume  0.68070E-02 ppm1      7.794 ppm2      0.489 CV     1
 ASSI { 1711}
   (( segid "    " and resid 130  and name HN  ))
   (( segid "    " and resid 132  and name HN  ))
      3.800     1.800     1.800 peak  1711 spectrum    1 weight  0.10000E+01 volume  0.46697E-02 ppm1      7.744 ppm2      8.302 CV     1
 ASSI { 1713}
   (( segid "    " and resid 130  and name HN  ))
   (  segid "    " and resid 129  and name HD% )
      3.700     1.700     1.700 peak  1713 spectrum    1 weight  0.10000E+01 volume  0.71325E-02 ppm1      7.744 ppm2      7.187 CV     1
 ASSI { 1714}
   (( segid "    " and resid 130  and name HN  ))
   (( segid "    " and resid 131  and name HN  ))
      2.300     0.700     0.700 peak  1714 spectrum    1 weight  0.10000E+01 volume  0.11059E-01 ppm1      7.745 ppm2      6.931 CV     1
 ASSI { 1715}
   (( segid "    " and resid 130  and name HN  ))
   (( segid "    " and resid 128  and name HN  ))
      3.600     1.600     1.600 peak  1715 spectrum    1 weight  0.10000E+01 volume  0.43989E-02 ppm1      7.743 ppm2      6.566 CV     1
 ASSI { 1720}
   (( segid "    " and resid 130  and name HN  ))
   (( segid "    " and resid 129  and name HB2 ))
      3.800     1.800     1.800 peak  1720 spectrum    1 weight  0.10000E+01 volume  0.63957E-02 ppm1      7.744 ppm2      3.168 CV     1
 ASSI { 1721}
   (( segid "    " and resid 130  and name HN  ))
   (( segid "    " and resid 129  and name HB1 ))
      2.900     1.100     1.100 peak  1721 spectrum    1 weight  0.10000E+01 volume  0.77054E-02 ppm1      7.745 ppm2      2.883 CV     1
 ASSI { 1722}
   (( segid "    " and resid 130  and name HN  ))
   (( segid "    " and resid 130  and name HB1 ))
      2.600     0.800     0.800 peak  1722 spectrum    1 weight  0.10000E+01 volume  0.23917E-01 ppm1      7.745 ppm2      2.630 CV     1
 ASSI { 1726}
   (( segid "    " and resid 130  and name HN  ))
   (( segid "    " and resid 131  and name HG12))
      4.400     2.500     1.600 peak  1726 spectrum    1 weight  0.10000E+01 volume  0.30747E-02 ppm1      7.743 ppm2      1.649 CV     1
 OR { 1726}
   (( segid "    " and resid 130  and name HN  ))
   (( segid "    " and resid 131  and name HG11))
 ASSI { 1727}
   (( segid "    " and resid 130  and name HN  ))
   (( segid "    " and resid 133  and name HB1 ))
      4.000     2.000     2.000 peak  1727 spectrum    1 weight  0.10000E+01 volume  0.31157E-02 ppm1      7.744 ppm2      1.517 CV     1
 ASSI { 1729}
   (( segid "    " and resid 130  and name HN  ))
   (  segid "    " and resid 57   and name HB% )
      4.900     3.000     1.100 peak  1729 spectrum    1 weight  0.10000E+01 volume  0.26001E-02 ppm1      7.743 ppm2      1.364 CV     1
 ASSI { 1731}
   (( segid "    " and resid 130  and name HN  ))
   (( segid "    " and resid 143  and name HG  ))
      4.000     2.000     2.000 peak  1731 spectrum    1 weight  0.10000E+01 volume  0.55653E-02 ppm1      7.745 ppm2      0.954 CV     1
 ASSI { 1732}
   (( segid "    " and resid 130  and name HN  ))
   (  segid "    " and resid 131  and name HG2%)
      3.600     1.600     1.600 peak  1732 spectrum    1 weight  0.10000E+01 volume  0.10088E-01 ppm1      7.746 ppm2      0.852 CV     1
 ASSI { 1734}
   (( segid "    " and resid 130  and name HN  ))
   (( segid "    " and resid 128  and name HG  ))
      6.000     5.000     0.000 peak  1734 spectrum    1 weight  0.10000E+01 volume  0.41667E-03 ppm1      7.743 ppm2      0.308 CV     1
 ASSI { 1740}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 13   and name HB1 ))
      3.400     1.500     1.500 peak  1740 spectrum    1 weight  0.10000E+01 volume  0.77337E-02 ppm1      7.267 ppm2      4.401 CV     1
 ASSI { 1741}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 15   and name HA  ))
      3.500     1.500     1.500 peak  1741 spectrum    1 weight  0.10000E+01 volume  0.37725E-02 ppm1      7.268 ppm2      3.420 CV     1
 ASSI { 1743}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 17   and name HG2 ))
      4.200     2.200     1.800 peak  1743 spectrum    1 weight  0.10000E+01 volume  0.47894E-02 ppm1      7.266 ppm2      2.645 CV     1
 OR { 1743}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 17   and name HG1 ))
 ASSI { 1745}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 15   and name HG  ))
      3.700     1.700     1.700 peak  1745 spectrum    1 weight  0.10000E+01 volume  0.56391E-02 ppm1      7.266 ppm2      1.501 CV     1
 ASSI { 1749}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 16   and name HB2 ))
      1.900     0.400     0.400 peak  1749 spectrum    1 weight  0.10000E+01 volume  0.50806E-01 ppm1      7.264 ppm2      2.319 CV     1
 ASSI { 1752}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 15   and name HB2 ))
      3.800     1.800     1.800 peak  1752 spectrum    1 weight  0.10000E+01 volume  0.79771E-02 ppm1      7.264 ppm2      1.258 CV     1
 ASSI { 1753}
   (( segid "    " and resid 16   and name HN  ))
   (  segid "    " and resid 15   and name HD2%)
      4.200     2.200     1.800 peak  1753 spectrum    1 weight  0.10000E+01 volume  0.81145E-02 ppm1      7.264 ppm2      1.011 CV     1
 OR { 1753}
   (( segid "    " and resid 16   and name HN  ))
   (  segid "    " and resid 15   and name HD1%)
 ASSI { 1755}
   (( segid "    " and resid 16   and name HN  ))
   (  segid "    " and resid 54   and name HD2%)
      5.500     3.800     0.500 peak  1755 spectrum    1 weight  0.10000E+01 volume  0.12965E-02 ppm1      7.261 ppm2     -0.637 CV     1
 OR { 1755}
   (( segid "    " and resid 16   and name HN  ))
   (  segid "    " and resid 54   and name HD1%)
 ASSI { 1758}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 59   and name HN  ))
      4.000     2.000     2.000 peak  1758 spectrum    1 weight  0.10000E+01 volume  0.35620E-02 ppm1      9.078 ppm2      8.536 CV     1
 ASSI { 1759}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 57   and name HA  ))
      2.400     0.700     0.700 peak  1759 spectrum    1 weight  0.10000E+01 volume  0.23031E-01 ppm1      9.078 ppm2      5.665 CV     1
 ASSI { 1766}
   (( segid "    " and resid 58   and name HN  ))
   (  segid "    " and resid 58   and name HG2%)
      2.600     2.600     3.400 peak  1766 spectrum    1 weight  0.10000E+01 volume  0.24050E-01 ppm1      9.078 ppm2      0.993 CV     1
 OR { 1766}
   (( segid "    " and resid 58   and name HN  ))
   (  segid "    " and resid 58   and name HG1%)
 ASSI { 1767}
   (( segid "    " and resid 58   and name HN  ))
   (  segid "    " and resid 131  and name HG2%)
      2.800     1.000     1.000 peak  1767 spectrum    1 weight  0.10000E+01 volume  0.14911E-01 ppm1      9.078 ppm2      0.852 CV     1
 ASSI { 1773}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 68   and name HN  ))
      3.900     1.900     1.900 peak  1773 spectrum    1 weight  0.10000E+01 volume  0.31077E-02 ppm1      7.793 ppm2      6.890 CV     1
 ASSI { 1780}
   (( segid "    " and resid 147  and name HN  ))
   (( segid "    " and resid 144  and name HA  ))
      3.500     1.600     1.600 peak  1780 spectrum    1 weight  0.10000E+01 volume  0.25536E-02 ppm1      7.464 ppm2      3.529 CV     1
 ASSI { 1783}
   (( segid "    " and resid 147  and name HN  ))
   (( segid "    " and resid 147  and name HB2 ))
      2.400     0.700     0.700 peak  1783 spectrum    1 weight  0.10000E+01 volume  0.13865E-01 ppm1      7.463 ppm2      1.089 CV     1
 ASSI { 1784}
   (( segid "    " and resid 147  and name HN  ))
   (( segid "    " and resid 147  and name HG  ))
      2.400     0.800     0.800 peak  1784 spectrum    1 weight  0.10000E+01 volume  0.16674E-01 ppm1      7.462 ppm2      0.905 CV     1
 ASSI { 1787}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 79   and name HN  ))
      5.600     3.900     0.400 peak  1787 spectrum    1 weight  0.10000E+01 volume  0.43782E-03 ppm1      8.013 ppm2      8.780 CV     1
 ASSI { 1790}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 73   and name HB  ))
      6.000     4.400     0.000 peak  1790 spectrum    1 weight  0.10000E+01 volume  0.43594E-03 ppm1      8.014 ppm2      3.969 CV     1
 ASSI { 1796}
   (( segid "    " and resid 77   and name HN  ))
   (  segid "    " and resid 96   and name HD2%)
      3.100     1.200     1.200 peak  1796 spectrum    1 weight  0.10000E+01 volume  0.61704E-02 ppm1      8.012 ppm2      1.133 CV     1
 OR { 1796}
   (( segid "    " and resid 77   and name HN  ))
   (  segid "    " and resid 96   and name HD1%)
 ASSI { 1807}
   (( segid "    " and resid 147  and name HN  ))
   (( segid "    " and resid 149  and name HN  ))
      5.600     3.900     0.400 peak  1807 spectrum    1 weight  0.10000E+01 volume  0.47772E-03 ppm1      7.461 ppm2      8.362 CV     1
 ASSI { 1809}
   (( segid "    " and resid 147  and name HN  ))
   (( segid "    " and resid 145  and name HA  ))
      5.600     4.000     0.400 peak  1809 spectrum    1 weight  0.10000E+01 volume  0.35781E-03 ppm1      7.466 ppm2      4.253 CV     1
 ASSI { 1812}
   (( segid "    " and resid 147  and name HN  ))
   (( segid "    " and resid 146  and name HB  ))
      2.500     0.800     0.800 peak  1812 spectrum    1 weight  0.10000E+01 volume  0.10973E-01 ppm1      7.464 ppm2      1.781 CV     1
 ASSI { 1813}
   (( segid "    " and resid 147  and name HN  ))
   (( segid "    " and resid 146  and name HG12))
      4.100     2.100     1.900 peak  1813 spectrum    1 weight  0.10000E+01 volume  0.59193E-02 ppm1      7.466 ppm2      1.592 CV     1
 ASSI { 1814}
   (( segid "    " and resid 147  and name HN  ))
   (( segid "    " and resid 150  and name HG2 ))
      6.000     5.900     0.000 peak  1814 spectrum    1 weight  0.10000E+01 volume  0.16993E-03 ppm1      7.465 ppm2      1.460 CV     1
 ASSI { 1815}
   (( segid "    " and resid 147  and name HN  ))
   (  segid "    " and resid 125  and name HD1%)
      3.700     1.700     1.700 peak  1815 spectrum    1 weight  0.10000E+01 volume  0.44603E-02 ppm1      7.463 ppm2      0.470 CV     1
 OR { 1815}
   (( segid "    " and resid 147  and name HN  ))
   (  segid "    " and resid 125  and name HD2%)
 ASSI { 1816}
   (( segid "    " and resid 147  and name HN  ))
   (( segid "    " and resid 148  and name HA  ))
      6.000     5.700     0.000 peak  1816 spectrum    1 weight  0.10000E+01 volume  0.44744E-03 ppm1      7.459 ppm2      4.467 CV     1
 ASSI { 1817}
   (( segid "    " and resid 147  and name HN  ))
   (( segid "    " and resid 145  and name HB2 ))
      4.500     2.600     1.500 peak  1817 spectrum    1 weight  0.10000E+01 volume  0.90147E-03 ppm1      7.458 ppm2      2.283 CV     1
 ASSI { 1819}
   (( segid "    " and resid 145  and name HN  ))
   (( segid "    " and resid 144  and name HN  ))
      2.700     0.900     0.900 peak  1819 spectrum    1 weight  0.10000E+01 volume  0.56047E-02 ppm1      6.774 ppm2      9.586 CV     1
 ASSI { 1822}
   (( segid "    " and resid 145  and name HN  ))
   (( segid "    " and resid 147  and name HN  ))
      3.600     1.600     1.600 peak  1822 spectrum    1 weight  0.10000E+01 volume  0.43800E-02 ppm1      6.772 ppm2      7.475 CV     1
 ASSI { 1823}
   (( segid "    " and resid 145  and name HN  ))
   (( segid "    " and resid 142  and name HA  ))
      4.100     2.100     1.900 peak  1823 spectrum    1 weight  0.10000E+01 volume  0.51987E-02 ppm1      6.777 ppm2      4.802 CV     1
 ASSI { 1824}
   (( segid "    " and resid 145  and name HN  ))
   (( segid "    " and resid 145  and name HA  ))
      2.700     0.900     0.900 peak  1824 spectrum    1 weight  0.10000E+01 volume  0.10076E-01 ppm1      6.772 ppm2      4.252 CV     1
 ASSI { 1825}
   (( segid "    " and resid 145  and name HN  ))
   (( segid "    " and resid 143  and name HA  ))
      4.600     2.600     1.400 peak  1825 spectrum    1 weight  0.10000E+01 volume  0.12207E-02 ppm1      6.776 ppm2      4.083 CV     1
 ASSI { 1826}
   (( segid "    " and resid 145  and name HN  ))
   (( segid "    " and resid 146  and name HA  ))
      4.800     2.900     1.200 peak  1826 spectrum    1 weight  0.10000E+01 volume  0.30168E-02 ppm1      6.774 ppm2      3.666 CV     1
 ASSI { 1827}
   (( segid "    " and resid 145  and name HN  ))
   (( segid "    " and resid 144  and name HA  ))
      3.300     1.400     1.400 peak  1827 spectrum    1 weight  0.10000E+01 volume  0.51253E-02 ppm1      6.775 ppm2      3.519 CV     1
 ASSI { 1828}
   (( segid "    " and resid 145  and name HN  ))
   (( segid "    " and resid 144  and name HD1 ))
      4.600     2.700     1.400 peak  1828 spectrum    1 weight  0.10000E+01 volume  0.13246E-02 ppm1      6.777 ppm2      3.379 CV     1
 ASSI { 1829}
   (( segid "    " and resid 145  and name HN  ))
   (( segid "    " and resid 145  and name HG2 ))
      3.900     1.900     1.900 peak  1829 spectrum    1 weight  0.10000E+01 volume  0.12323E-01 ppm1      6.773 ppm2      2.478 CV     1
 OR { 1829}
   (( segid "    " and resid 145  and name HN  ))
   (( segid "    " and resid 145  and name HG1 ))
 ASSI { 1830}
   (( segid "    " and resid 145  and name HN  ))
   (( segid "    " and resid 142  and name HB2 ))
      1.700     0.400     0.500 peak  1830 spectrum    1 weight  0.10000E+01 volume  0.45241E-01 ppm1      6.773 ppm2      2.275 CV     1
 ASSI { 1831}
   (( segid "    " and resid 145  and name HN  ))
   (( segid "    " and resid 142  and name HB1 ))
      3.000     1.100     1.100 peak  1831 spectrum    1 weight  0.10000E+01 volume  0.16617E-01 ppm1      6.773 ppm2      2.093 CV     1
 ASSI { 1835}
   (( segid "    " and resid 145  and name HN  ))
   (( segid "    " and resid 146  and name HG11))
      3.600     1.600     1.600 peak  1835 spectrum    1 weight  0.10000E+01 volume  0.69129E-02 ppm1      6.773 ppm2      0.975 CV     1
 ASSI { 1838}
   (( segid "    " and resid 145  and name HN  ))
   (( segid "    " and resid 142  and name HN  ))
      4.100     2.100     1.900 peak  1838 spectrum    1 weight  0.10000E+01 volume  0.21425E-02 ppm1      6.769 ppm2      9.266 CV     1
 ASSI { 1840}
   (( segid "    " and resid 144  and name HN  ))
   (( segid "    " and resid 136  and name HA  ))
      3.500     3.500     2.500 peak  1840 spectrum    1 weight  0.10000E+01 volume  0.50807E-03 ppm1      9.592 ppm2      4.527 CV     1
 ASSI { 1850}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 79   and name HN  ))
      2.600     0.800     0.800 peak  1850 spectrum    1 weight  0.10000E+01 volume  0.10681E-01 ppm1      7.639 ppm2      8.778 CV     1
 ASSI { 1851}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 81   and name HN  ))
      2.500     0.800     0.800 peak  1851 spectrum    1 weight  0.10000E+01 volume  0.16805E-01 ppm1      7.641 ppm2      7.931 CV     1
 ASSI { 1853}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 80   and name HA  ))
      3.100     1.200     1.200 peak  1853 spectrum    1 weight  0.10000E+01 volume  0.89735E-02 ppm1      7.642 ppm2      4.532 CV     1
 ASSI { 1855}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 77   and name HA  ))
      3.100     1.200     1.200 peak  1855 spectrum    1 weight  0.10000E+01 volume  0.71824E-02 ppm1      7.641 ppm2      3.783 CV     1
 ASSI { 1856}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 76   and name HA  ))
      3.700     1.700     1.700 peak  1856 spectrum    1 weight  0.10000E+01 volume  0.36776E-02 ppm1      7.640 ppm2      3.594 CV     1
 ASSI { 1857}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 80   and name HB2 ))
      2.800     1.000     1.000 peak  1857 spectrum    1 weight  0.10000E+01 volume  0.70659E-02 ppm1      7.642 ppm2      2.874 CV     1
 ASSI { 1858}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 80   and name HG1 ))
      3.700     1.700     1.700 peak  1858 spectrum    1 weight  0.10000E+01 volume  0.16203E-01 ppm1      7.642 ppm2      2.511 CV     1
 ASSI { 1860}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 80   and name HB1 ))
      2.800     1.000     1.000 peak  1860 spectrum    1 weight  0.10000E+01 volume  0.17151E-01 ppm1      7.641 ppm2      1.779 CV     1
 ASSI { 1865}
   (( segid "    " and resid 144  and name HN  ))
   (( segid "    " and resid 142  and name HN  ))
      6.000     6.000     0.000 peak  1865 spectrum    1 weight  0.10000E+01 volume  0.13993E-03 ppm1      9.587 ppm2      9.280 CV     1
 ASSI { 1866}
   (( segid "    " and resid 144  and name HN  ))
   (( segid "    " and resid 143  and name HN  ))
      3.000     1.100     1.100 peak  1866 spectrum    1 weight  0.10000E+01 volume  0.41428E-02 ppm1      9.587 ppm2      8.442 CV     1
 ASSI { 1867}
   (( segid "    " and resid 144  and name HN  ))
   (( segid "    " and resid 147  and name HN  ))
      3.900     1.900     1.900 peak  1867 spectrum    1 weight  0.10000E+01 volume  0.38543E-02 ppm1      9.588 ppm2      7.468 CV     1
 ASSI { 1868}
   (( segid "    " and resid 144  and name HN  ))
   (  segid "    " and resid 129  and name HD% )
      4.100     2.100     1.900 peak  1868 spectrum    1 weight  0.10000E+01 volume  0.28843E-02 ppm1      9.591 ppm2      7.191 CV     1
 ASSI { 1870}
   (( segid "    " and resid 144  and name HN  ))
   (( segid "    " and resid 142  and name HA  ))
      3.000     1.100     1.100 peak  1870 spectrum    1 weight  0.10000E+01 volume  0.24690E-01 ppm1      9.589 ppm2      4.805 CV     1
 ASSI { 1871}
   (( segid "    " and resid 144  and name HN  ))
   (( segid "    " and resid 143  and name HA  ))
      3.700     1.700     1.700 peak  1871 spectrum    1 weight  0.10000E+01 volume  0.24831E-02 ppm1      9.589 ppm2      4.099 CV     1
 ASSI { 1872}
   (( segid "    " and resid 144  and name HN  ))
   (( segid "    " and resid 144  and name HA  ))
      3.000     1.100     1.100 peak  1872 spectrum    1 weight  0.10000E+01 volume  0.68376E-02 ppm1      9.590 ppm2      3.528 CV     1
 ASSI { 1874}
   (( segid "    " and resid 144  and name HN  ))
   (( segid "    " and resid 142  and name HB1 ))
      2.600     0.800     0.800 peak  1874 spectrum    1 weight  0.10000E+01 volume  0.12282E-01 ppm1      9.588 ppm2      2.109 CV     1
 ASSI { 1875}
   (( segid "    " and resid 144  and name HN  ))
   (( segid "    " and resid 144  and name HB1 ))
      2.700     0.900     0.900 peak  1875 spectrum    1 weight  0.10000E+01 volume  0.80875E-02 ppm1      9.589 ppm2      1.804 CV     1
 ASSI { 1877}
   (( segid "    " and resid 144  and name HN  ))
   (( segid "    " and resid 143  and name HB1 ))
      2.700     0.900     0.900 peak  1877 spectrum    1 weight  0.10000E+01 volume  0.54762E-02 ppm1      9.587 ppm2      1.347 CV     1
 ASSI { 1881}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 60   and name HB2 ))
      5.000     3.100     1.000 peak  1881 spectrum    1 weight  0.10000E+01 volume  0.42427E-02 ppm1      9.017 ppm2      1.068 CV     1
 ASSI { 1885}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 16   and name HN  ))
      2.500     0.800     0.800 peak  1885 spectrum    1 weight  0.10000E+01 volume  0.15047E-01 ppm1      8.172 ppm2      7.260 CV     1
 ASSI { 1888}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 14   and name HD2 ))
      3.100     1.200     1.200 peak  1888 spectrum    1 weight  0.10000E+01 volume  0.49054E-02 ppm1      8.174 ppm2      3.713 CV     1
 ASSI { 1889}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 14   and name HD1 ))
      4.400     2.500     1.600 peak  1889 spectrum    1 weight  0.10000E+01 volume  0.34115E-02 ppm1      8.169 ppm2      3.627 CV     1
 ASSI { 1890}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 15   and name HA  ))
      2.700     0.900     0.900 peak  1890 spectrum    1 weight  0.10000E+01 volume  0.96460E-02 ppm1      8.173 ppm2      3.410 CV     1
 ASSI { 1891}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 16   and name HB2 ))
      4.000     2.000     2.000 peak  1891 spectrum    1 weight  0.10000E+01 volume  0.61577E-02 ppm1      8.173 ppm2      2.314 CV     1
 ASSI { 1892}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 15   and name HB1 ))
      2.500     0.800     0.800 peak  1892 spectrum    1 weight  0.10000E+01 volume  0.18557E-01 ppm1      8.173 ppm2      1.714 CV     1
 ASSI { 1893}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 15   and name HG  ))
      4.000     2.000     2.000 peak  1893 spectrum    1 weight  0.10000E+01 volume  0.93935E-02 ppm1      8.173 ppm2      1.498 CV     1
 ASSI { 1894}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 15   and name HB2 ))
      2.400     0.700     0.700 peak  1894 spectrum    1 weight  0.10000E+01 volume  0.17424E-01 ppm1      8.173 ppm2      1.256 CV     1
 ASSI { 1895}
   (( segid "    " and resid 15   and name HN  ))
   (  segid "    " and resid 15   and name HD1%)
      3.800     1.800     1.800 peak  1895 spectrum    1 weight  0.10000E+01 volume  0.19062E-01 ppm1      8.173 ppm2      1.016 CV     1
 OR { 1895}
   (( segid "    " and resid 15   and name HN  ))
   (  segid "    " and resid 15   and name HD2%)
 ASSI { 1900}
   (( segid "    " and resid 15   and name HN  ))
   (  segid "    " and resid 54   and name HD2%)
      3.800     1.800     1.800 peak  1900 spectrum    1 weight  0.10000E+01 volume  0.67416E-02 ppm1      8.173 ppm2     -0.641 CV     1
 OR { 1900}
   (( segid "    " and resid 15   and name HN  ))
   (  segid "    " and resid 54   and name HD1%)
 ASSI { 1902}
   (( segid "    " and resid 120  and name HD21))
   (( segid "    " and resid 120  and name HB1 ))
      3.000     1.200     1.200 peak  1902 spectrum    1 weight  0.10000E+01 volume  0.10249E-01 ppm1      8.103 ppm2      2.992 CV     1
 ASSI { 1903}
   (( segid "    " and resid 120  and name HD21))
   (( segid "    " and resid 120  and name HB2 ))
      2.800     1.000     1.000 peak  1903 spectrum    1 weight  0.10000E+01 volume  0.10827E-01 ppm1      8.101 ppm2      2.505 CV     1
 ASSI { 1904}
   (( segid "    " and resid 120  and name HD21))
   (( segid "    " and resid 117  and name HA  ))
      3.200     1.300     1.300 peak  1904 spectrum    1 weight  0.10000E+01 volume  0.71039E-02 ppm1      8.097 ppm2      5.064 CV     1
 ASSI { 1909}
   (( segid "    " and resid 120  and name HD22))
   (( segid "    " and resid 120  and name HD21))
      2.000     0.500     0.500 peak  1909 spectrum    1 weight  0.10000E+01 volume  0.26238E-01 ppm1      6.904 ppm2      8.097 CV     1
 ASSI { 1910}
   (( segid "    " and resid 120  and name HD22))
   (( segid "    " and resid 117  and name HA  ))
      3.700     1.700     1.700 peak  1910 spectrum    1 weight  0.10000E+01 volume  0.35527E-02 ppm1      6.907 ppm2      5.071 CV     1
 ASSI { 1911}
   (( segid "    " and resid 120  and name HD22))
   (( segid "    " and resid 120  and name HB1 ))
      4.100     2.100     1.900 peak  1911 spectrum    1 weight  0.10000E+01 volume  0.49577E-02 ppm1      6.903 ppm2      2.998 CV     1
 ASSI { 1912}
   (( segid "    " and resid 120  and name HD22))
   (( segid "    " and resid 120  and name HB2 ))
      4.200     2.200     1.800 peak  1912 spectrum    1 weight  0.10000E+01 volume  0.62045E-02 ppm1      6.903 ppm2      2.512 CV     1
 ASSI { 1913}
   (( segid "    " and resid 120  and name HD22))
   (( segid "    " and resid 120  and name HN  ))
      5.500     3.800     0.500 peak  1913 spectrum    1 weight  0.10000E+01 volume  0.65423E-03 ppm1      6.895 ppm2      7.418 CV     1
 ASSI { 1916}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 61   and name HN  ))
      3.000     1.100     1.100 peak  1916 spectrum    1 weight  0.10000E+01 volume  0.10766E-01 ppm1      9.015 ppm2      8.795 CV     1
 ASSI { 1917}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 64   and name HN  ))
      6.000     5.100     0.000 peak  1917 spectrum    1 weight  0.10000E+01 volume  0.10890E-02 ppm1      9.015 ppm2      8.540 CV     1
 ASSI { 1918}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 63   and name HN  ))
      5.200     3.300     0.800 peak  1918 spectrum    1 weight  0.10000E+01 volume  0.22766E-02 ppm1      9.014 ppm2      8.244 CV     1
 ASSI { 1919}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 31   and name HN  ))
      3.900     1.900     1.900 peak  1919 spectrum    1 weight  0.10000E+01 volume  0.46974E-02 ppm1      9.013 ppm2      7.264 CV     1
 ASSI { 1921}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 31   and name HA  ))
      2.000     0.500     0.500 peak  1921 spectrum    1 weight  0.10000E+01 volume  0.25293E-01 ppm1      9.014 ppm2      5.940 CV     1
 ASSI { 1922}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 62   and name HA  ))
      3.100     1.200     1.200 peak  1922 spectrum    1 weight  0.10000E+01 volume  0.70074E-02 ppm1      9.018 ppm2      5.512 CV     1
 ASSI { 1923}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 32   and name HA  ))
      2.600     0.900     0.900 peak  1923 spectrum    1 weight  0.10000E+01 volume  0.12344E-01 ppm1      9.016 ppm2      4.922 CV     1
 ASSI { 1924}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 60   and name HA  ))
      4.100     2.100     1.900 peak  1924 spectrum    1 weight  0.10000E+01 volume  0.75988E-02 ppm1      9.018 ppm2      4.770 CV     1
 ASSI { 1926}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 62   and name HB  ))
      3.000     1.100     1.100 peak  1926 spectrum    1 weight  0.10000E+01 volume  0.64113E-02 ppm1      9.015 ppm2      3.851 CV     1
 ASSI { 1927}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 31   and name HB1 ))
      2.900     1.100     1.100 peak  1927 spectrum    1 weight  0.10000E+01 volume  0.18247E-01 ppm1      9.014 ppm2      3.598 CV     1
 OR { 1927}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 31   and name HB2 ))
 ASSI { 1928}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 32   and name HB2 ))
      2.900     1.100     1.100 peak  1928 spectrum    1 weight  0.10000E+01 volume  0.69184E-02 ppm1      9.014 ppm2      3.351 CV     1
 ASSI { 1929}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 32   and name HB1 ))
      3.400     1.400     1.400 peak  1929 spectrum    1 weight  0.10000E+01 volume  0.59841E-02 ppm1      9.015 ppm2      3.166 CV     1
 ASSI { 1931}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 61   and name HG2 ))
      4.300     2.300     1.700 peak  1931 spectrum    1 weight  0.10000E+01 volume  0.26690E-02 ppm1      9.015 ppm2      1.959 CV     1
 ASSI { 1936}
   (( segid "    " and resid 32   and name HN  ))
   (  segid "    " and resid 60   and name HD2%)
      3.500     1.500     1.500 peak  1936 spectrum    1 weight  0.10000E+01 volume  0.18696E-01 ppm1      9.014 ppm2      0.697 CV     1
 ASSI { 1937}
   (( segid "    " and resid 119  and name HN  ))
   (( segid "    " and resid 120  and name HN  ))
      2.600     0.800     0.800 peak  1937 spectrum    1 weight  0.10000E+01 volume  0.10635E-01 ppm1      8.120 ppm2      7.417 CV     1
 ASSI { 1939}
   (( segid "    " and resid 119  and name HN  ))
   (( segid "    " and resid 119  and name HA  ))
      2.600     0.900     0.900 peak  1939 spectrum    1 weight  0.10000E+01 volume  0.10600E-01 ppm1      8.120 ppm2      3.803 CV     1
 ASSI { 1940}
   (( segid "    " and resid 119  and name HN  ))
   (( segid "    " and resid 118  and name HG2 ))
      3.000     1.100     1.100 peak  1940 spectrum    1 weight  0.10000E+01 volume  0.43867E-02 ppm1      8.122 ppm2      3.314 CV     1
 OR { 1940}
   (( segid "    " and resid 119  and name HN  ))
   (( segid "    " and resid 118  and name HG1 ))
 ASSI { 1941}
   (( segid "    " and resid 119  and name HN  ))
   (( segid "    " and resid 119  and name HE2 ))
      5.200     3.400     0.800 peak  1941 spectrum    1 weight  0.10000E+01 volume  0.22175E-02 ppm1      8.118 ppm2      2.305 CV     1
 ASSI { 1942}
   (( segid "    " and resid 119  and name HN  ))
   (( segid "    " and resid 124  and name HB2 ))
      3.900     1.900     1.900 peak  1942 spectrum    1 weight  0.10000E+01 volume  0.86415E-02 ppm1      8.122 ppm2      2.174 CV     1
 OR { 1942}
   (( segid "    " and resid 119  and name HN  ))
   (( segid "    " and resid 124  and name HB1 ))
 ASSI { 1944}
   (( segid "    " and resid 119  and name HN  ))
   (( segid "    " and resid 119  and name HB2 ))
      3.400     1.400     1.400 peak  1944 spectrum    1 weight  0.10000E+01 volume  0.11918E-01 ppm1      8.121 ppm2      1.657 CV     1
 ASSI { 1945}
   (( segid "    " and resid 119  and name HN  ))
   (( segid "    " and resid 119  and name HB1 ))
      2.600     0.900     0.900 peak  1945 spectrum    1 weight  0.10000E+01 volume  0.23991E-01 ppm1      8.120 ppm2      1.501 CV     1
 OR { 1945}
   (( segid "    " and resid 119  and name HN  ))
   (( segid "    " and resid 119  and name HE1 ))
 ASSI { 1946}
   (( segid "    " and resid 119  and name HN  ))
   (( segid "    " and resid 119  and name HG1 ))
      2.800     1.000     1.000 peak  1946 spectrum    1 weight  0.10000E+01 volume  0.19557E-01 ppm1      8.121 ppm2      1.304 CV     1
 ASSI { 1950}
   (( segid "    " and resid 119  and name HN  ))
   (( segid "    " and resid 125  and name HG  ))
      3.800     1.800     1.800 peak  1950 spectrum    1 weight  0.10000E+01 volume  0.39222E-02 ppm1      8.119 ppm2      0.332 CV     1
 ASSI { 1952}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 54   and name HN  ))
      2.800     1.000     1.000 peak  1952 spectrum    1 weight  0.10000E+01 volume  0.49343E-02 ppm1      7.989 ppm2      8.560 CV     1
 ASSI { 1953}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 10   and name HD21))
      3.600     1.600     1.600 peak  1953 spectrum    1 weight  0.10000E+01 volume  0.66565E-02 ppm1      7.987 ppm2      6.492 CV     1
 ASSI { 1955}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 8    and name HA1 ))
      2.900     1.000     1.000 peak  1955 spectrum    1 weight  0.10000E+01 volume  0.10012E-01 ppm1      7.986 ppm2      5.759 CV     1
 ASSI { 1958}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 9    and name HB2 ))
      3.400     1.400     1.400 peak  1958 spectrum    1 weight  0.10000E+01 volume  0.55150E-02 ppm1      7.988 ppm2      3.089 CV     1
 ASSI { 1960}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 54   and name HB2 ))
      4.900     3.000     1.100 peak  1960 spectrum    1 weight  0.10000E+01 volume  0.26858E-02 ppm1      7.985 ppm2      0.977 CV     1
 ASSI { 1973}
   (( segid "    " and resid 148  and name HN  ))
   (( segid "    " and resid 149  and name HN  ))
      2.600     0.800     0.800 peak  1973 spectrum    1 weight  0.10000E+01 volume  0.12905E-01 ppm1      7.554 ppm2      8.352 CV     1
 ASSI { 1976}
   (( segid "    " and resid 148  and name HN  ))
   (( segid "    " and resid 148  and name HA  ))
      2.800     1.000     1.000 peak  1976 spectrum    1 weight  0.10000E+01 volume  0.15614E-01 ppm1      7.555 ppm2      4.465 CV     1
 ASSI { 1977}
   (( segid "    " and resid 148  and name HN  ))
   (( segid "    " and resid 145  and name HA  ))
      3.000     1.100     1.100 peak  1977 spectrum    1 weight  0.10000E+01 volume  0.10063E-01 ppm1      7.554 ppm2      4.244 CV     1
 ASSI { 1980}
   (( segid "    " and resid 148  and name HN  ))
   (( segid "    " and resid 144  and name HA  ))
      5.100     3.300     0.900 peak  1980 spectrum    1 weight  0.10000E+01 volume  0.49372E-03 ppm1      7.552 ppm2      3.520 CV     1
 ASSI { 1981}
   (( segid "    " and resid 148  and name HN  ))
   (( segid "    " and resid 148  and name HB1 ))
      2.300     0.700     0.700 peak  1981 spectrum    1 weight  0.10000E+01 volume  0.36233E-01 ppm1      7.554 ppm2      3.287 CV     1
 ASSI { 1983}
   (( segid "    " and resid 148  and name HN  ))
   (( segid "    " and resid 145  and name HG2 ))
      5.300     3.500     0.700 peak  1983 spectrum    1 weight  0.10000E+01 volume  0.61872E-03 ppm1      7.554 ppm2      2.471 CV     1
 ASSI { 1987}
   (( segid "    " and resid 148  and name HN  ))
   (( segid "    " and resid 147  and name HB2 ))
      2.800     1.000     1.000 peak  1987 spectrum    1 weight  0.10000E+01 volume  0.94506E-02 ppm1      7.557 ppm2      1.083 CV     1
 ASSI { 1989}
   (( segid "    " and resid 148  and name HN  ))
   (( segid "    " and resid 147  and name HB1 ))
      3.400     1.500     1.500 peak  1989 spectrum    1 weight  0.10000E+01 volume  0.89351E-02 ppm1      7.553 ppm2      0.690 CV     1
 ASSI { 1991}
   (( segid "    " and resid 148  and name HN  ))
   (( segid "    " and resid 145  and name HN  ))
      3.900     1.900     1.900 peak  1991 spectrum    1 weight  0.10000E+01 volume  0.22090E-02 ppm1      7.547 ppm2      6.762 CV     1
 ASSI { 1992}
   (( segid "    " and resid 148  and name HN  ))
   (( segid "    " and resid 146  and name HB  ))
      4.600     2.700     1.400 peak  1992 spectrum    1 weight  0.10000E+01 volume  0.17818E-02 ppm1      7.548 ppm2      1.803 CV     1
 ASSI { 1993}
   (( segid "    " and resid 148  and name HN  ))
   (( segid "    " and resid 150  and name HG2 ))
      6.000     4.500     0.000 peak  1993 spectrum    1 weight  0.10000E+01 volume  0.56859E-03 ppm1      7.545 ppm2      1.461 CV     1
 ASSI { 1995}
   (( segid "    " and resid 94   and name HN  ))
   (( segid "    " and resid 95   and name HN  ))
      4.800     2.900     1.200 peak  1995 spectrum    1 weight  0.10000E+01 volume  0.83171E-03 ppm1      6.369 ppm2      9.220 CV     1
 ASSI { 2000}
   (( segid "    " and resid 94   and name HN  ))
   (( segid "    " and resid 82   and name HA  ))
      5.900     4.300     0.100 peak  2000 spectrum    1 weight  0.10000E+01 volume  0.46080E-03 ppm1      6.368 ppm2      4.383 CV     1
 ASSI { 2001}
   (( segid "    " and resid 94   and name HN  ))
   (( segid "    " and resid 92   and name HD1 ))
      3.400     1.400     1.400 peak  2001 spectrum    1 weight  0.10000E+01 volume  0.50666E-02 ppm1      6.367 ppm2      3.509 CV     1
 ASSI { 2002}
   (( segid "    " and resid 94   and name HN  ))
   (( segid "    " and resid 92   and name HD2 ))
      3.300     1.300     1.300 peak  2002 spectrum    1 weight  0.10000E+01 volume  0.48253E-02 ppm1      6.367 ppm2      3.344 CV     1
 ASSI { 2003}
   (( segid "    " and resid 94   and name HN  ))
   (  segid "    " and resid 93   and name HG2%)
      3.500     1.500     1.500 peak  2003 spectrum    1 weight  0.10000E+01 volume  0.10828E-01 ppm1      6.368 ppm2      1.248 CV     1
 ASSI { 2009}
   (( segid "    " and resid 94   and name HN  ))
   (( segid "    " and resid 93   and name HB  ))
      3.000     1.100     1.100 peak  2009 spectrum    1 weight  0.10000E+01 volume  0.87670E-02 ppm1      6.363 ppm2      4.124 CV     1
 ASSI { 2023}
   (( segid "    " and resid 125  and name HN  ))
   (( segid "    " and resid 126  and name HA  ))
      4.800     2.900     1.200 peak  2023 spectrum    1 weight  0.10000E+01 volume  0.28710E-02 ppm1      7.611 ppm2      4.807 CV     1
 ASSI { 2024}
   (( segid "    " and resid 125  and name HN  ))
   (( segid "    " and resid 124  and name HA  ))
      4.500     2.500     1.500 peak  2024 spectrum    1 weight  0.10000E+01 volume  0.11477E-02 ppm1      7.608 ppm2      4.392 CV     1
 ASSI { 2026}
   (( segid "    " and resid 125  and name HN  ))
   (( segid "    " and resid 128  and name HB2 ))
      4.500     2.500     1.500 peak  2026 spectrum    1 weight  0.10000E+01 volume  0.10051E-02 ppm1      7.607 ppm2      2.027 CV     1
 ASSI { 2029}
   (( segid "    " and resid 125  and name HN  ))
   (  segid "    " and resid 125  and name HD2%)
      3.900     1.900     1.900 peak  2029 spectrum    1 weight  0.10000E+01 volume  0.61702E-02 ppm1      7.608 ppm2      0.470 CV     1
 OR { 2029}
   (( segid "    " and resid 125  and name HN  ))
   (  segid "    " and resid 125  and name HD1%)
 ASSI { 2030}
   (( segid "    " and resid 125  and name HN  ))
   (( segid "    " and resid 125  and name HG  ))
      3.100     1.200     1.200 peak  2030 spectrum    1 weight  0.10000E+01 volume  0.54234E-02 ppm1      7.609 ppm2      0.335 CV     1
 ASSI { 2039}
   (( segid "    " and resid 108  and name HN  ))
   (( segid "    " and resid 107  and name HN  ))
      4.400     2.400     1.600 peak  2039 spectrum    1 weight  0.10000E+01 volume  0.37471E-02 ppm1      8.978 ppm2      9.227 CV     1
 ASSI { 2043}
   (( segid "    " and resid 108  and name HN  ))
   (( segid "    " and resid 107  and name HA  ))
      2.000     0.500     0.500 peak  2043 spectrum    1 weight  0.10000E+01 volume  0.41266E-01 ppm1      8.980 ppm2      5.513 CV     1
 ASSI { 2044}
   (( segid "    " and resid 108  and name HN  ))
   (( segid "    " and resid 112  and name HA  ))
      3.900     1.900     1.900 peak  2044 spectrum    1 weight  0.10000E+01 volume  0.47714E-02 ppm1      8.980 ppm2      5.239 CV     1
 ASSI { 2046}
   (( segid "    " and resid 108  and name HN  ))
   (( segid "    " and resid 108  and name HB  ))
      3.900     1.900     1.900 peak  2046 spectrum    1 weight  0.10000E+01 volume  0.46457E-02 ppm1      8.979 ppm2      4.663 CV     1
 ASSI { 2049}
   (( segid "    " and resid 108  and name HN  ))
   (( segid "    " and resid 107  and name HB2 ))
      3.900     1.900     1.900 peak  2049 spectrum    1 weight  0.10000E+01 volume  0.12627E-01 ppm1      8.980 ppm2      2.710 CV     1
 ASSI { 2050}
   (( segid "    " and resid 108  and name HN  ))
   (( segid "    " and resid 109  and name HB2 ))
      6.000     5.700     0.000 peak  2050 spectrum    1 weight  0.10000E+01 volume  0.48236E-03 ppm1      8.977 ppm2      2.037 CV     1
 OR { 2050}
   (( segid "    " and resid 108  and name HN  ))
   (( segid "    " and resid 109  and name HB1 ))
 ASSI { 2052}
   (( segid "    " and resid 108  and name HN  ))
   (  segid "    " and resid 108  and name HG2%)
      2.900     1.100     1.100 peak  2052 spectrum    1 weight  0.10000E+01 volume  0.17379E-01 ppm1      8.980 ppm2      1.219 CV     1
 ASSI { 2054}
   (( segid "    " and resid 108  and name HN  ))
   (  segid "    " and resid 111  and name HD1%)
      4.600     2.600     1.400 peak  2054 spectrum    1 weight  0.10000E+01 volume  0.87763E-03 ppm1      8.980 ppm2      0.332 CV     1
 ASSI { 2060}
   (( segid "    " and resid 125  and name HN  ))
   (( segid "    " and resid 122  and name HA2 ))
      4.600     2.600     1.400 peak  2060 spectrum    1 weight  0.10000E+01 volume  0.76193E-03 ppm1      7.609 ppm2      2.853 CV     1
 ASSI { 2061}
   (( segid "    " and resid 125  and name HN  ))
   (( segid "    " and resid 124  and name HB2 ))
      3.200     1.300     1.300 peak  2061 spectrum    1 weight  0.10000E+01 volume  0.40034E-02 ppm1      7.606 ppm2      2.180 CV     1
 OR { 2061}
   (( segid "    " and resid 125  and name HN  ))
   (( segid "    " and resid 124  and name HB1 ))
 ASSI { 2077}
   (( segid "    " and resid 108  and name HN  ))
   (( segid "    " and resid 110  and name HN  ))
      5.400     3.600     0.600 peak  2077 spectrum    1 weight  0.10000E+01 volume  0.91416E-03 ppm1      8.978 ppm2      7.939 CV     1
 ASSI { 2079}
   (( segid "    " and resid 134  and name HN  ))
   (( segid "    " and resid 132  and name HA  ))
      3.100     1.200     1.200 peak  2079 spectrum    1 weight  0.10000E+01 volume  0.91226E-02 ppm1      8.283 ppm2      4.785 CV     1
 ASSI { 2080}
   (( segid "    " and resid 134  and name HN  ))
   (( segid "    " and resid 133  and name HA  ))
      3.100     1.200     1.200 peak  2080 spectrum    1 weight  0.10000E+01 volume  0.36794E-02 ppm1      8.282 ppm2      4.107 CV     1
 ASSI { 2081}
   (( segid "    " and resid 134  and name HN  ))
   (( segid "    " and resid 133  and name HD1 ))
      4.000     2.000     2.000 peak  2081 spectrum    1 weight  0.10000E+01 volume  0.48937E-02 ppm1      8.281 ppm2      3.422 CV     1
 ASSI { 2082}
   (( segid "    " and resid 134  and name HN  ))
   (( segid "    " and resid 135  and name HG  ))
      4.700     2.800     1.300 peak  2082 spectrum    1 weight  0.10000E+01 volume  0.25104E-02 ppm1      8.283 ppm2      1.274 CV     1
 ASSI { 2085}
   (( segid "    " and resid 134  and name HN  ))
   (( segid "    " and resid 134  and name HA  ))
      3.000     1.100     1.100 peak  2085 spectrum    1 weight  0.10000E+01 volume  0.11678E-01 ppm1      8.279 ppm2      4.552 CV     1
 ASSI { 2087}
   (( segid "    " and resid 134  and name HN  ))
   (( segid "    " and resid 133  and name HD2 ))
      3.000     1.200     1.200 peak  2087 spectrum    1 weight  0.10000E+01 volume  0.40148E-02 ppm1      8.278 ppm2      3.118 CV     1
 ASSI { 2088}
   (( segid "    " and resid 134  and name HN  ))
   (( segid "    " and resid 134  and name HB1 ))
      2.900     1.100     1.100 peak  2088 spectrum    1 weight  0.10000E+01 volume  0.24550E-01 ppm1      8.280 ppm2      2.312 CV     1
 OR { 2088}
   (( segid "    " and resid 134  and name HN  ))
   (( segid "    " and resid 134  and name HG1 ))
 ASSI { 2089}
   (( segid "    " and resid 134  and name HN  ))
   (( segid "    " and resid 134  and name HG2 ))
      2.500     0.800     0.800 peak  2089 spectrum    1 weight  0.10000E+01 volume  0.10380E-01 ppm1      8.280 ppm2      2.113 CV     1
 ASSI { 2092}
   (( segid "    " and resid 134  and name HN  ))
   (  segid "    " and resid 132  and name HB% )
      3.300     1.400     1.400 peak  2092 spectrum    1 weight  0.10000E+01 volume  0.73155E-02 ppm1      8.279 ppm2      1.003 CV     1
 ASSI { 2097}
   (( segid "    " and resid 48   and name HE22))
   (( segid "    " and resid 45   and name HA  ))
      6.000     4.500     0.000 peak  2097 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.778 ppm2      4.618 CV     1
 ASSI { 2103}
   (( segid "    " and resid 48   and name HE22))
   (( segid "    " and resid 48   and name HG2 ))
      3.300     1.300     1.300 peak  2103 spectrum    1 weight  0.10000E+01 volume  0.12620E-01 ppm1      7.768 ppm2      2.536 CV     1
 ASSI { 2105}
   (( segid "    " and resid 125  and name HN  ))
   (( segid "    " and resid 123  and name HN  ))
      4.600     2.700     1.400 peak  2105 spectrum    1 weight  0.10000E+01 volume  0.12806E-02 ppm1      7.604 ppm2      6.938 CV     1
 ASSI { 2109}
   (( segid "    " and resid 48   and name HE21))
   (( segid "    " and resid 48   and name HE22))
      1.500     0.300     0.700 peak  2109 spectrum    1 weight  0.10000E+01 volume  0.52165E-01 ppm1      7.039 ppm2      7.766 CV     1
 ASSI { 2118}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 29   and name HA  ))
      2.200     0.600     0.600 peak  2118 spectrum    1 weight  0.10000E+01 volume  0.31344E-01 ppm1      8.934 ppm2      4.338 CV     1
 ASSI { 2120}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 30   and name HA  ))
      2.300     0.700     0.700 peak  2120 spectrum    1 weight  0.10000E+01 volume  0.29785E-01 ppm1      8.934 ppm2      3.920 CV     1
 ASSI { 2123}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 30   and name HG1 ))
      3.500     1.500     1.500 peak  2123 spectrum    1 weight  0.10000E+01 volume  0.19228E-01 ppm1      8.934 ppm2      2.144 CV     1
 ASSI { 2124}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 29   and name HB1 ))
      3.900     1.900     1.900 peak  2124 spectrum    1 weight  0.10000E+01 volume  0.94385E-02 ppm1      8.935 ppm2      1.922 CV     1
 ASSI { 2128}
   (( segid "    " and resid 102  and name HN  ))
   (( segid "    " and resid 101  and name HN  ))
      6.000     5.500     0.000 peak  2128 spectrum    1 weight  0.10000E+01 volume  0.16071E-03 ppm1      8.401 ppm2      9.844 CV     1
 ASSI { 2131}
   (( segid "    " and resid 102  and name HN  ))
   (( segid "    " and resid 2    and name HA  ))
      3.300     3.300     2.700 peak  2131 spectrum    1 weight  0.10000E+01 volume  0.75293E-03 ppm1      8.402 ppm2      4.238 CV     1
 ASSI { 2132}
   (( segid "    " and resid 102  and name HN  ))
   (( segid "    " and resid 101  and name HB2 ))
      4.600     2.700     1.400 peak  2132 spectrum    1 weight  0.10000E+01 volume  0.35365E-02 ppm1      8.403 ppm2      3.327 CV     1
 ASSI { 2133}
   (( segid "    " and resid 102  and name HN  ))
   (( segid "    " and resid 101  and name HB1 ))
      4.200     2.200     1.800 peak  2133 spectrum    1 weight  0.10000E+01 volume  0.38952E-02 ppm1      8.401 ppm2      2.313 CV     1
 ASSI { 2150}
   (( segid "    " and resid 48   and name HE22))
   (( segid "    " and resid 92   and name HA  ))
      5.500     3.800     0.500 peak  2150 spectrum    1 weight  0.10000E+01 volume  0.69974E-03 ppm1      7.789 ppm2      4.955 CV     1
 ASSI { 2152}
   (( segid "    " and resid 156  and name HD22))
   (( segid "    " and resid 156  and name HB2 ))
      3.500     1.500     1.500 peak  2152 spectrum    1 weight  0.10000E+01 volume  0.17554E-01 ppm1      7.791 ppm2      2.857 CV     1
 OR { 2152}
   (( segid "    " and resid 156  and name HD22))
   (( segid "    " and resid 156  and name HB1 ))
 ASSI { 2154}
   (( segid "    " and resid 48   and name HE22))
   (( segid "    " and resid 44   and name HB2 ))
      3.700     1.800     1.800 peak  2154 spectrum    1 weight  0.10000E+01 volume  0.15937E-02 ppm1      7.766 ppm2      1.955 CV     1
 OR { 2154}
   (( segid "    " and resid 48   and name HE22))
   (( segid "    " and resid 44   and name HB1 ))
 ASSI { 2156}
   (( segid "    " and resid 156  and name HD21))
   (( segid "    " and resid 156  and name HN  ))
      4.500     2.600     1.500 peak  2156 spectrum    1 weight  0.10000E+01 volume  0.18293E-02 ppm1      7.090 ppm2      9.322 CV     1
 ASSI { 2157}
   (( segid "    " and resid 156  and name HD21))
   (( segid "    " and resid 156  and name HD22))
      1.800     0.400     0.400 peak  2157 spectrum    1 weight  0.10000E+01 volume  0.55988E-01 ppm1      7.094 ppm2      7.788 CV     1
 ASSI { 2159}
   (( segid "    " and resid 156  and name HD21))
   (( segid "    " and resid 156  and name HA  ))
      6.000     5.100     0.000 peak  2159 spectrum    1 weight  0.10000E+01 volume  0.40844E-03 ppm1      7.091 ppm2      4.942 CV     1
 ASSI { 2160}
   (( segid "    " and resid 156  and name HD21))
   (( segid "    " and resid 156  and name HB2 ))
      2.800     1.000     1.000 peak  2160 spectrum    1 weight  0.10000E+01 volume  0.13834E-01 ppm1      7.095 ppm2      2.860 CV     1
 OR { 2160}
   (( segid "    " and resid 156  and name HD21))
   (( segid "    " and resid 156  and name HB1 ))
 ASSI { 2161}
   (( segid "    " and resid 48   and name HE21))
   (( segid "    " and resid 10   and name HD22))
      4.200     2.200     1.800 peak  2161 spectrum    1 weight  0.10000E+01 volume  0.14494E-02 ppm1      7.038 ppm2      6.868 CV     1
 ASSI { 2163}
   (( segid "    " and resid 48   and name HE21))
   (( segid "    " and resid 44   and name HG2 ))
      4.200     2.200     1.800 peak  2163 spectrum    1 weight  0.10000E+01 volume  0.19328E-02 ppm1      7.039 ppm2      2.206 CV     1
 OR { 2163}
   (( segid "    " and resid 48   and name HE21))
   (( segid "    " and resid 44   and name HG1 ))
 ASSI { 2164}
   (( segid "    " and resid 128  and name HN  ))
   (( segid "    " and resid 129  and name HN  ))
      2.500     0.800     0.800 peak  2164 spectrum    1 weight  0.10000E+01 volume  0.12044E-01 ppm1      6.569 ppm2      8.663 CV     1
 ASSI { 2167}
   (( segid "    " and resid 128  and name HN  ))
   (( segid "    " and resid 126  and name HA  ))
      3.600     1.700     1.700 peak  2167 spectrum    1 weight  0.10000E+01 volume  0.50879E-02 ppm1      6.570 ppm2      4.795 CV     1
 ASSI { 2168}
   (( segid "    " and resid 128  and name HN  ))
   (( segid "    " and resid 127  and name HA  ))
      3.600     1.600     1.600 peak  2168 spectrum    1 weight  0.10000E+01 volume  0.35391E-02 ppm1      6.569 ppm2      4.533 CV     1
 ASSI { 2169}
   (( segid "    " and resid 128  and name HN  ))
   (( segid "    " and resid 125  and name HA  ))
      2.800     2.800     3.200 peak  2169 spectrum    1 weight  0.10000E+01 volume  0.13273E-01 ppm1      6.570 ppm2      3.837 CV     1
 ASSI { 2170}
   (( segid "    " and resid 128  and name HN  ))
   (( segid "    " and resid 127  and name HD1 ))
      4.000     2.000     2.000 peak  2170 spectrum    1 weight  0.10000E+01 volume  0.43183E-02 ppm1      6.571 ppm2      3.395 CV     1
 ASSI { 2172}
   (( segid "    " and resid 128  and name HN  ))
   (( segid "    " and resid 129  and name HB1 ))
      4.100     2.100     1.900 peak  2172 spectrum    1 weight  0.10000E+01 volume  0.56048E-02 ppm1      6.567 ppm2      2.881 CV     1
 ASSI { 2177}
   (( segid "    " and resid 128  and name HN  ))
   (  segid "    " and resid 128  and name HD1%)
      3.700     1.700     1.700 peak  2177 spectrum    1 weight  0.10000E+01 volume  0.96132E-02 ppm1      6.569 ppm2      0.578 CV     1
 OR { 2177}
   (( segid "    " and resid 128  and name HN  ))
   (  segid "    " and resid 128  and name HD2%)
 ASSI { 2178}
   (( segid "    " and resid 128  and name HN  ))
   (( segid "    " and resid 128  and name HG  ))
      3.700     1.700     1.700 peak  2178 spectrum    1 weight  0.10000E+01 volume  0.93064E-02 ppm1      6.569 ppm2      0.305 CV     1
 ASSI { 2182}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 76   and name HN  ))
      5.700     4.100     0.300 peak  2182 spectrum    1 weight  0.10000E+01 volume  0.52832E-03 ppm1      9.344 ppm2      8.000 CV     1
 ASSI { 2187}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 70   and name HA  ))
      3.400     1.400     1.400 peak  2187 spectrum    1 weight  0.10000E+01 volume  0.34836E-02 ppm1      9.343 ppm2      4.597 CV     1
 ASSI { 2190}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 73   and name HB  ))
      3.300     1.400     1.400 peak  2190 spectrum    1 weight  0.10000E+01 volume  0.87832E-02 ppm1      9.342 ppm2      3.947 CV     1
 ASSI { 2191}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 72   and name HB1 ))
      3.400     1.400     1.400 peak  2191 spectrum    1 weight  0.10000E+01 volume  0.72926E-02 ppm1      9.342 ppm2      3.452 CV     1
 ASSI { 2198}
   (( segid "    " and resid 73   and name HN  ))
   (  segid "    " and resid 73   and name HG2%)
      2.200     2.200     3.800 peak  2198 spectrum    1 weight  0.10000E+01 volume  0.28185E-01 ppm1      9.343 ppm2      1.070 CV     1
 ASSI { 2204}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 7    and name HN  ))
      5.100     3.300     0.900 peak  2204 spectrum    1 weight  0.10000E+01 volume  0.83717E-03 ppm1      8.728 ppm2      8.966 CV     1
 ASSI { 2205}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 9    and name HN  ))
      4.800     2.900     1.200 peak  2205 spectrum    1 weight  0.10000E+01 volume  0.17820E-02 ppm1      8.726 ppm2      7.992 CV     1
 ASSI { 2206}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 8    and name HA1 ))
      2.900     1.000     1.000 peak  2206 spectrum    1 weight  0.10000E+01 volume  0.55412E-02 ppm1      8.731 ppm2      5.754 CV     1
 ASSI { 2207}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 96   and name HA  ))
      5.800     4.200     0.200 peak  2207 spectrum    1 weight  0.10000E+01 volume  0.47284E-03 ppm1      8.730 ppm2      5.364 CV     1
 ASSI { 2208}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 94   and name HA  ))
      2.200     0.600     0.600 peak  2208 spectrum    1 weight  0.10000E+01 volume  0.29781E-01 ppm1      8.728 ppm2      4.825 CV     1
 ASSI { 2209}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 8    and name HA2 ))
      3.300     1.300     1.300 peak  2209 spectrum    1 weight  0.10000E+01 volume  0.65032E-02 ppm1      8.731 ppm2      4.157 CV     1
 ASSI { 2210}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 95   and name HB2 ))
      6.000     6.000     0.000 peak  2210 spectrum    1 weight  0.10000E+01 volume  0.42157E-03 ppm1      8.734 ppm2      2.966 CV     1
 ASSI { 2211}
   (( segid "    " and resid 8    and name HN  ))
   (  segid "    " and resid 7    and name HG2%)
      2.300     2.300     3.700 peak  2211 spectrum    1 weight  0.10000E+01 volume  0.37447E-01 ppm1      8.730 ppm2      0.790 CV     1
 ASSI { 2214}
   (( segid "    " and resid 107  and name HD21))
   (( segid "    " and resid 107  and name HD22))
      1.500     0.300     0.700 peak  2214 spectrum    1 weight  0.10000E+01 volume  0.12642E+00 ppm1      7.816 ppm2      6.797 CV     1
 ASSI { 2215}
   (( segid "    " and resid 107  and name HD21))
   (( segid "    " and resid 107  and name HA  ))
      3.800     3.800     2.200 peak  2215 spectrum    1 weight  0.10000E+01 volume  0.60367E-03 ppm1      7.816 ppm2      5.505 CV     1
 ASSI { 2216}
   (( segid "    " and resid 107  and name HD21))
   (( segid "    " and resid 107  and name HB2 ))
      3.100     1.200     1.200 peak  2216 spectrum    1 weight  0.10000E+01 volume  0.14500E-01 ppm1      7.816 ppm2      2.699 CV     1
 ASSI { 2225}
   (( segid "    " and resid 128  and name HN  ))
   (( segid "    " and resid 128  and name HB1 ))
      3.200     1.300     1.300 peak  2225 spectrum    1 weight  0.10000E+01 volume  0.61879E-02 ppm1      6.568 ppm2      1.216 CV     1
 ASSI { 2227}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 96   and name HB1 ))
      3.000     3.000     3.000 peak  2227 spectrum    1 weight  0.10000E+01 volume  0.21623E-01 ppm1      8.733 ppm2      0.959 CV     1
 ASSI { 2247}
   (( segid "    " and resid 107  and name HD22))
   (( segid "    " and resid 107  and name HA  ))
      6.000     5.900     0.000 peak  2247 spectrum    1 weight  0.10000E+01 volume  0.49232E-03 ppm1      6.801 ppm2      5.519 CV     1
 ASSI { 2259}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 65   and name HN  ))
      4.600     2.600     1.400 peak  2259 spectrum    1 weight  0.10000E+01 volume  0.35751E-02 ppm1      8.734 ppm2      8.405 CV     1
 ASSI { 2260}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 69   and name HN  ))
      3.600     1.600     1.600 peak  2260 spectrum    1 weight  0.10000E+01 volume  0.51253E-02 ppm1      8.732 ppm2      8.225 CV     1
 ASSI { 2262}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 68   and name HN  ))
      2.200     0.600     0.600 peak  2262 spectrum    1 weight  0.10000E+01 volume  0.16241E-01 ppm1      8.733 ppm2      6.872 CV     1
 ASSI { 2263}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 65   and name HA  ))
      3.900     1.900     1.900 peak  2263 spectrum    1 weight  0.10000E+01 volume  0.39020E-02 ppm1      8.735 ppm2      4.600 CV     1
 ASSI { 2264}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 66   and name HD2 ))
      2.500     0.800     0.800 peak  2264 spectrum    1 weight  0.10000E+01 volume  0.18558E-01 ppm1      8.733 ppm2      3.640 CV     1
 ASSI { 2265}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 66   and name HA  ))
      2.700     0.900     0.900 peak  2265 spectrum    1 weight  0.10000E+01 volume  0.13187E-01 ppm1      8.734 ppm2      3.373 CV     1
 ASSI { 2267}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 67   and name HG2 ))
      2.100     0.600     0.600 peak  2267 spectrum    1 weight  0.10000E+01 volume  0.17325E-01 ppm1      8.734 ppm2      2.155 CV     1
 ASSI { 2268}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 67   and name HB1 ))
      2.600     0.900     0.900 peak  2268 spectrum    1 weight  0.10000E+01 volume  0.37900E-01 ppm1      8.734 ppm2      1.848 CV     1
 OR { 2268}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 67   and name HB2 ))
 ASSI { 2277}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 48   and name HE22))
      4.600     2.700     1.400 peak  2277 spectrum    1 weight  0.10000E+01 volume  0.25977E-02 ppm1      8.562 ppm2      7.767 CV     1
 ASSI { 2278}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 89   and name HE3 ))
      6.000     4.700     0.000 peak  2278 spectrum    1 weight  0.10000E+01 volume  0.49754E-03 ppm1      8.562 ppm2      7.599 CV     1
 ASSI { 2280}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 46   and name HA1 ))
      3.100     1.200     1.200 peak  2280 spectrum    1 weight  0.10000E+01 volume  0.94227E-02 ppm1      8.562 ppm2      4.694 CV     1
 ASSI { 2281}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 45   and name HA  ))
      2.200     0.600     0.600 peak  2281 spectrum    1 weight  0.10000E+01 volume  0.38685E-01 ppm1      8.562 ppm2      4.566 CV     1
 ASSI { 2283}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 90   and name HA1 ))
      4.900     2.900     1.100 peak  2283 spectrum    1 weight  0.10000E+01 volume  0.40204E-02 ppm1      8.560 ppm2      3.903 CV     1
 ASSI { 2284}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 46   and name HA2 ))
      2.500     0.800     0.800 peak  2284 spectrum    1 weight  0.10000E+01 volume  0.19609E-01 ppm1      8.562 ppm2      3.666 CV     1
 ASSI { 2286}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 45   and name HB1 ))
      3.900     1.900     1.900 peak  2286 spectrum    1 weight  0.10000E+01 volume  0.85817E-02 ppm1      8.562 ppm2      1.598 CV     1
 OR { 2286}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 45   and name HB2 ))
 ASSI { 2287}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 45   and name HG  ))
      3.900     1.900     1.900 peak  2287 spectrum    1 weight  0.10000E+01 volume  0.50866E-02 ppm1      8.561 ppm2      1.340 CV     1
 ASSI { 2289}
   (( segid "    " and resid 46   and name HN  ))
   (  segid "    " and resid 45   and name HD1%)
      4.300     2.300     1.700 peak  2289 spectrum    1 weight  0.10000E+01 volume  0.41665E-02 ppm1      8.562 ppm2      0.824 CV     1
 ASSI { 2305}
   (( segid "    " and resid 93   and name HN  ))
   (( segid "    " and resid 94   and name HN  ))
      3.000     1.100     1.100 peak  2305 spectrum    1 weight  0.10000E+01 volume  0.90771E-02 ppm1      8.755 ppm2      6.369 CV     1
 ASSI { 2306}
   (( segid "    " and resid 93   and name HN  ))
   (( segid "    " and resid 92   and name HA  ))
      2.600     0.800     0.800 peak  2306 spectrum    1 weight  0.10000E+01 volume  0.16618E-01 ppm1      8.753 ppm2      4.911 CV     1
 ASSI { 2307}
   (( segid "    " and resid 93   and name HN  ))
   (( segid "    " and resid 94   and name HA  ))
      3.400     1.400     1.400 peak  2307 spectrum    1 weight  0.10000E+01 volume  0.90916E-02 ppm1      8.755 ppm2      4.875 CV     1
 ASSI { 2308}
   (( segid "    " and resid 93   and name HN  ))
   (( segid "    " and resid 93   and name HA  ))
      2.800     1.000     1.000 peak  2308 spectrum    1 weight  0.10000E+01 volume  0.11023E-01 ppm1      8.756 ppm2      4.031 CV     1
 ASSI { 2309}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 68   and name HA  ))
      5.000     3.100     1.000 peak  2309 spectrum    1 weight  0.10000E+01 volume  0.17281E-02 ppm1      8.744 ppm2      4.357 CV     1
 ASSI { 2317}
   (( segid "    " and resid 149  and name HN  ))
   (( segid "    " and resid 145  and name HG2 ))
      4.300     2.300     1.700 peak  2317 spectrum    1 weight  0.10000E+01 volume  0.14242E-03 ppm1      8.360 ppm2      2.476 CV     1
 OR { 2317}
   (( segid "    " and resid 149  and name HN  ))
   (( segid "    " and resid 145  and name HG1 ))
 ASSI { 2318}
   (( segid "    " and resid 149  and name HN  ))
   (( segid "    " and resid 147  and name HB2 ))
      4.800     2.900     1.200 peak  2318 spectrum    1 weight  0.10000E+01 volume  0.21031E-02 ppm1      8.364 ppm2      1.090 CV     1
 ASSI { 2324}
   (( segid "    " and resid 149  and name HN  ))
   (( segid "    " and resid 148  and name HA  ))
      3.500     1.500     1.500 peak  2324 spectrum    1 weight  0.10000E+01 volume  0.53896E-02 ppm1      8.356 ppm2      4.461 CV     1
 ASSI { 2325}
   (( segid "    " and resid 149  and name HN  ))
   (( segid "    " and resid 149  and name HB  ))
      2.500     0.800     0.800 peak  2325 spectrum    1 weight  0.10000E+01 volume  0.16372E-01 ppm1      8.357 ppm2      4.189 CV     1
 ASSI { 2330}
   (( segid "    " and resid 149  and name HN  ))
   (( segid "    " and resid 150  and name HG2 ))
      4.200     2.200     1.800 peak  2330 spectrum    1 weight  0.10000E+01 volume  0.26869E-02 ppm1      8.356 ppm2      1.436 CV     1
 ASSI { 2332}
   (( segid "    " and resid 149  and name HN  ))
   (( segid "    " and resid 150  and name HB1 ))
      5.400     3.600     0.600 peak  2332 spectrum    1 weight  0.10000E+01 volume  0.39549E-02 ppm1      8.355 ppm2      0.924 CV     1
 ASSI { 2333}
   (( segid "    " and resid 110  and name HN  ))
   (( segid "    " and resid 71   and name HD21))
      5.000     3.100     1.000 peak  2333 spectrum    1 weight  0.10000E+01 volume  0.54235E-03 ppm1      7.959 ppm2      7.445 CV     1
 ASSI { 2334}
   (( segid "    " and resid 110  and name HN  ))
   (( segid "    " and resid 109  and name HN  ))
      2.600     0.900     0.900 peak  2334 spectrum    1 weight  0.10000E+01 volume  0.12281E-01 ppm1      7.953 ppm2      8.879 CV     1
 ASSI { 2336}
   (( segid "    " and resid 110  and name HN  ))
   (( segid "    " and resid 111  and name HN  ))
      2.100     0.500     0.500 peak  2336 spectrum    1 weight  0.10000E+01 volume  0.26049E-01 ppm1      7.953 ppm2      7.632 CV     1
 ASSI { 2338}
   (( segid "    " and resid 110  and name HN  ))
   (( segid "    " and resid 108  and name HB  ))
      4.200     2.200     1.800 peak  2338 spectrum    1 weight  0.10000E+01 volume  0.87161E-02 ppm1      7.955 ppm2      4.661 CV     1
 ASSI { 2339}
   (( segid "    " and resid 110  and name HN  ))
   (( segid "    " and resid 110  and name HA  ))
      2.900     1.100     1.100 peak  2339 spectrum    1 weight  0.10000E+01 volume  0.92102E-02 ppm1      7.953 ppm2      4.230 CV     1
 ASSI { 2340}
   (( segid "    " and resid 110  and name HN  ))
   (( segid "    " and resid 109  and name HA  ))
      3.600     1.600     1.600 peak  2340 spectrum    1 weight  0.10000E+01 volume  0.86087E-02 ppm1      7.953 ppm2      4.028 CV     1
 ASSI { 2341}
   (( segid "    " and resid 110  and name HN  ))
   (( segid "    " and resid 110  and name HD1 ))
      4.500     2.600     1.500 peak  2341 spectrum    1 weight  0.10000E+01 volume  0.26400E-02 ppm1      7.952 ppm2      3.248 CV     1
 OR { 2341}
   (( segid "    " and resid 110  and name HN  ))
   (( segid "    " and resid 110  and name HD2 ))
 ASSI { 2343}
   (( segid "    " and resid 110  and name HN  ))
   (( segid "    " and resid 109  and name HG2 ))
      5.000     3.200     1.000 peak  2343 spectrum    1 weight  0.10000E+01 volume  0.35419E-02 ppm1      7.952 ppm2      2.288 CV     1
 ASSI { 2344}
   (( segid "    " and resid 110  and name HN  ))
   (( segid "    " and resid 109  and name HB2 ))
      2.300     0.700     0.700 peak  2344 spectrum    1 weight  0.10000E+01 volume  0.16545E-01 ppm1      7.951 ppm2      2.034 CV     1
 OR { 2344}
   (( segid "    " and resid 110  and name HN  ))
   (( segid "    " and resid 109  and name HB1 ))
 ASSI { 2345}
   (( segid "    " and resid 110  and name HN  ))
   (( segid "    " and resid 110  and name HG2 ))
      2.800     1.000     1.000 peak  2345 spectrum    1 weight  0.10000E+01 volume  0.12641E-01 ppm1      7.953 ppm2      1.777 CV     1
 OR { 2345}
   (( segid "    " and resid 110  and name HN  ))
   (( segid "    " and resid 110  and name HG1 ))
 ASSI { 2346}
   (( segid "    " and resid 110  and name HN  ))
   (( segid "    " and resid 110  and name HB2 ))
      2.400     0.700     0.700 peak  2346 spectrum    1 weight  0.10000E+01 volume  0.13622E-01 ppm1      7.953 ppm2      1.646 CV     1
 ASSI { 2349}
   (( segid "    " and resid 110  and name HN  ))
   (( segid "    " and resid 111  and name HB1 ))
      3.900     1.900     1.900 peak  2349 spectrum    1 weight  0.10000E+01 volume  0.68749E-02 ppm1      7.953 ppm2      0.922 CV     1
 ASSI { 2362}
   (( segid "    " and resid 100  and name HN  ))
   (( segid "    " and resid 99   and name HN  ))
      2.300     0.700     0.700 peak  2362 spectrum    1 weight  0.10000E+01 volume  0.10265E-01 ppm1      7.523 ppm2      9.588 CV     1
 ASSI { 2364}
   (( segid "    " and resid 100  and name HN  ))
   (  segid "    " and resid 4    and name HD% )
      3.700     1.700     1.700 peak  2364 spectrum    1 weight  0.10000E+01 volume  0.56456E-02 ppm1      7.521 ppm2      6.820 CV     1
 ASSI { 2365}
   (( segid "    " and resid 100  and name HN  ))
   (( segid "    " and resid 100  and name HA  ))
      2.400     0.700     0.700 peak  2365 spectrum    1 weight  0.10000E+01 volume  0.10052E-01 ppm1      7.523 ppm2      4.827 CV     1
 ASSI { 2368}
   (( segid "    " and resid 100  and name HN  ))
   (( segid "    " and resid 99   and name HB1 ))
      3.600     1.600     1.600 peak  2368 spectrum    1 weight  0.10000E+01 volume  0.94191E-02 ppm1      7.522 ppm2      2.291 CV     1
 ASSI { 2370}
   (( segid "    " and resid 100  and name HN  ))
   (( segid "    " and resid 100  and name HB2 ))
      2.500     0.800     0.800 peak  2370 spectrum    1 weight  0.10000E+01 volume  0.12983E-01 ppm1      7.522 ppm2      2.031 CV     1
 ASSI { 2371}
   (( segid "    " and resid 100  and name HN  ))
   (( segid "    " and resid 100  and name HB1 ))
      3.100     1.200     1.200 peak  2371 spectrum    1 weight  0.10000E+01 volume  0.88103E-02 ppm1      7.521 ppm2      1.791 CV     1
 ASSI { 2372}
   (( segid "    " and resid 100  and name HN  ))
   (( segid "    " and resid 100  and name HG  ))
      3.400     1.400     1.400 peak  2372 spectrum    1 weight  0.10000E+01 volume  0.64054E-02 ppm1      7.522 ppm2      1.599 CV     1
 ASSI { 2374}
   (( segid "    " and resid 100  and name HN  ))
   (( segid "    " and resid 98   and name HG12))
      3.800     1.800     1.800 peak  2374 spectrum    1 weight  0.10000E+01 volume  0.15849E-01 ppm1      7.525 ppm2      0.983 CV     1
 ASSI { 2379}
   (( segid "    " and resid 100  and name HN  ))
   (( segid "    " and resid 4    and name HA  ))
      5.100     3.200     0.900 peak  2379 spectrum    1 weight  0.10000E+01 volume  0.82916E-03 ppm1      7.528 ppm2      5.545 CV     1
 ASSI { 2381}
   (( segid "    " and resid 100  and name HN  ))
   (( segid "    " and resid 101  and name HN  ))
      5.000     3.100     1.000 peak  2381 spectrum    1 weight  0.10000E+01 volume  0.53315E-03 ppm1      7.522 ppm2      9.846 CV     1
 ASSI { 2385}
   (( segid "    " and resid 71   and name HD21))
   (( segid "    " and resid 71   and name HD22))
      2.100     0.600     0.600 peak  2385 spectrum    1 weight  0.10000E+01 volume  0.20598E-01 ppm1      7.451 ppm2      7.197 CV     1
 ASSI { 2390}
   (( segid "    " and resid 71   and name HD22))
   (( segid "    " and resid 71   and name HB1 ))
      4.700     2.700     1.300 peak  2390 spectrum    1 weight  0.10000E+01 volume  0.44765E-02 ppm1      7.203 ppm2      2.621 CV     1
 ASSI { 2398}
   (( segid "    " and resid 38   and name HN  ))
   (  segid "    " and resid 40   and name HD% )
      4.000     2.000     2.000 peak  2398 spectrum    1 weight  0.10000E+01 volume  0.63607E-02 ppm1      9.304 ppm2      7.035 CV     1
 ASSI { 2400}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 37   and name HB1 ))
      3.300     1.400     1.400 peak  2400 spectrum    1 weight  0.10000E+01 volume  0.79567E-02 ppm1      9.304 ppm2      5.119 CV     1
 ASSI { 2402}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 37   and name HA  ))
      2.800     1.000     1.000 peak  2402 spectrum    1 weight  0.10000E+01 volume  0.13114E-01 ppm1      9.301 ppm2      4.260 CV     1
 ASSI { 2407}
   (( segid "    " and resid 50   and name HE21))
   (( segid "    " and resid 50   and name HE22))
      2.000     0.500     0.500 peak  2407 spectrum    1 weight  0.10000E+01 volume  0.11461E-01 ppm1      8.300 ppm2      7.123 CV     1
 ASSI { 2408}
   (( segid "    " and resid 50   and name HE21))
   (( segid "    " and resid 50   and name HG2 ))
      2.800     1.000     1.000 peak  2408 spectrum    1 weight  0.10000E+01 volume  0.74727E-02 ppm1      8.302 ppm2      2.364 CV     1
 OR { 2408}
   (( segid "    " and resid 50   and name HE21))
   (( segid "    " and resid 50   and name HG1 ))
 ASSI { 2412}
   (( segid "    " and resid 71   and name HD21))
   (( segid "    " and resid 71   and name HB2 ))
      2.800     1.000     1.000 peak  2412 spectrum    1 weight  0.10000E+01 volume  0.51913E-02 ppm1      7.452 ppm2      3.089 CV     1
 ASSI { 2413}
   (( segid "    " and resid 71   and name HD21))
   (( segid "    " and resid 71   and name HB1 ))
      3.900     1.900     1.900 peak  2413 spectrum    1 weight  0.10000E+01 volume  0.52688E-02 ppm1      7.453 ppm2      2.622 CV     1
 ASSI { 2415}
   (( segid "    " and resid 71   and name HD22))
   (( segid "    " and resid 71   and name HB2 ))
      4.600     2.600     1.400 peak  2415 spectrum    1 weight  0.10000E+01 volume  0.35866E-02 ppm1      7.204 ppm2      3.105 CV     1
 ASSI { 2416}
   (( segid "    " and resid 71   and name HD22))
   (( segid "    " and resid 71   and name HN  ))
      6.000     5.800     0.000 peak  2416 spectrum    1 weight  0.10000E+01 volume  0.68372E-03 ppm1      7.197 ppm2      7.783 CV     1
 ASSI { 2418}
   (( segid "    " and resid 71   and name HD22))
   (( segid "    " and resid 74   and name HG1 ))
      5.300     3.600     0.700 peak  2418 spectrum    1 weight  0.10000E+01 volume  0.43003E-03 ppm1      7.198 ppm2      2.421 CV     1
 ASSI { 2421}
   (( segid "    " and resid 50   and name HE22))
   (( segid "    " and resid 90   and name HA2 ))
      4.400     2.400     1.600 peak  2421 spectrum    1 weight  0.10000E+01 volume  0.41936E-03 ppm1      7.125 ppm2      4.321 CV     1
 ASSI { 2424}
   (( segid "    " and resid 50   and name HE22))
   (( segid "    " and resid 50   and name HG2 ))
      4.400     2.400     1.600 peak  2424 spectrum    1 weight  0.10000E+01 volume  0.28058E-02 ppm1      7.124 ppm2      2.355 CV     1
 OR { 2424}
   (( segid "    " and resid 50   and name HE22))
   (( segid "    " and resid 50   and name HG1 ))
 ASSI { 2426}
   (( segid "    " and resid 50   and name HE22))
   (( segid "    " and resid 46   and name HA2 ))
      5.600     3.900     0.400 peak  2426 spectrum    1 weight  0.10000E+01 volume  0.77229E-03 ppm1      7.119 ppm2      3.664 CV     1
 ASSI { 2429}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 38   and name HB2 ))
      3.400     1.500     1.500 peak  2429 spectrum    1 weight  0.10000E+01 volume  0.29925E-02 ppm1      9.303 ppm2      3.528 CV     1
 ASSI { 2432}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 127  and name HG1 ))
      6.000     5.600     0.000 peak  2432 spectrum    1 weight  0.10000E+01 volume  0.29399E-03 ppm1      9.303 ppm2      1.564 CV     1
 ASSI { 2439}
   (( segid "    " and resid 145  and name HE21))
   (( segid "    " and resid 142  and name HA  ))
      3.800     1.800     1.800 peak  2439 spectrum    1 weight  0.10000E+01 volume  0.64652E-02 ppm1      7.592 ppm2      4.807 CV     1
 ASSI { 2441}
   (( segid "    " and resid 103  and name HD21))
   (( segid "    " and resid 138  and name HD1 ))
      6.000     6.000     0.000 peak  2441 spectrum    1 weight  0.10000E+01 volume  0.14163E-03 ppm1      7.583 ppm2      4.028 CV     1
 OR { 2441}
   (( segid "    " and resid 103  and name HD21))
   (( segid "    " and resid 138  and name HD2 ))
 ASSI { 2444}
   (( segid "    " and resid 145  and name HE21))
   (( segid "    " and resid 145  and name HG1 ))
      3.100     1.200     1.200 peak  2444 spectrum    1 weight  0.10000E+01 volume  0.10733E-01 ppm1      7.585 ppm2      2.477 CV     1
 OR { 2444}
   (( segid "    " and resid 145  and name HE21))
   (( segid "    " and resid 145  and name HG2 ))
 ASSI { 2446}
   (( segid "    " and resid 103  and name HD21))
   (( segid "    " and resid 104  and name HB1 ))
      4.800     2.900     1.200 peak  2446 spectrum    1 weight  0.10000E+01 volume  0.10150E-02 ppm1      7.586 ppm2      2.212 CV     1
 ASSI { 2447}
   (( segid "    " and resid 103  and name HD21))
   (( segid "    " and resid 138  and name HG1 ))
      5.600     3.900     0.400 peak  2447 spectrum    1 weight  0.10000E+01 volume  0.42954E-03 ppm1      7.584 ppm2      2.002 CV     1
 OR { 2447}
   (( segid "    " and resid 103  and name HD21))
   (( segid "    " and resid 138  and name HG2 ))
 ASSI { 2451}
   (( segid "    " and resid 145  and name HE22))
   (( segid "    " and resid 145  and name HE21))
      1.200     0.200     1.000 peak  2451 spectrum    1 weight  0.10000E+01 volume  0.12137E+00 ppm1      6.939 ppm2      7.583 CV     1
 ASSI { 2454}
   (( segid "    " and resid 145  and name HE22))
   (( segid "    " and resid 145  and name HG1 ))
      4.300     2.400     1.700 peak  2454 spectrum    1 weight  0.10000E+01 volume  0.33997E-02 ppm1      6.942 ppm2      2.471 CV     1
 OR { 2454}
   (( segid "    " and resid 145  and name HE22))
   (( segid "    " and resid 145  and name HG2 ))
 ASSI { 2460}
   (( segid "    " and resid 145  and name HE21))
   (( segid "    " and resid 145  and name HA  ))
      5.000     3.100     1.000 peak  2460 spectrum    1 weight  0.10000E+01 volume  0.10158E-02 ppm1      7.582 ppm2      4.225 CV     1
 ASSI { 2464}
   (( segid "    " and resid 103  and name HD21))
   (( segid "    " and resid 103  and name HB2 ))
      3.000     1.100     1.100 peak  2464 spectrum    1 weight  0.10000E+01 volume  0.10616E-01 ppm1      7.573 ppm2      2.997 CV     1
 ASSI { 2465}
   (( segid "    " and resid 103  and name HD21))
   (( segid "    " and resid 103  and name HB1 ))
      2.900     1.100     1.100 peak  2465 spectrum    1 weight  0.10000E+01 volume  0.10122E-01 ppm1      7.574 ppm2      2.686 CV     1
 ASSI { 2477}
   (( segid "    " and resid 103  and name HD22))
   (( segid "    " and resid 103  and name HD21))
      1.700     0.400     0.500 peak  2477 spectrum    1 weight  0.10000E+01 volume  0.99833E-01 ppm1      6.981 ppm2      7.570 CV     1
 ASSI { 2479}
   (( segid "    " and resid 103  and name HD22))
   (( segid "    " and resid 138  and name HA  ))
      5.300     3.500     0.700 peak  2479 spectrum    1 weight  0.10000E+01 volume  0.96592E-03 ppm1      6.979 ppm2      4.489 CV     1
 ASSI { 2480}
   (( segid "    " and resid 103  and name HD22))
   (( segid "    " and resid 103  and name HB2 ))
      4.200     2.200     1.800 peak  2480 spectrum    1 weight  0.10000E+01 volume  0.65518E-02 ppm1      6.980 ppm2      2.998 CV     1
 ASSI { 2481}
   (( segid "    " and resid 103  and name HD22))
   (( segid "    " and resid 103  and name HA  ))
      6.000     6.000     0.000 peak  2481 spectrum    1 weight  0.10000E+01 volume  0.48391E-03 ppm1      6.977 ppm2      5.168 CV     1
 ASSI { 2483}
   (( segid "    " and resid 123  and name HN  ))
   (( segid "    " and resid 125  and name HB1 ))
      6.000     6.000     0.000 peak  2483 spectrum    1 weight  0.10000E+01 volume  0.13390E-03 ppm1      6.944 ppm2      1.063 CV     1
 ASSI { 2489}
   (( segid "    " and resid 123  and name HN  ))
   (( segid "    " and resid 123  and name HA  ))
      2.600     0.900     0.900 peak  2489 spectrum    1 weight  0.10000E+01 volume  0.75435E-02 ppm1      6.938 ppm2      4.356 CV     1
 ASSI { 2490}
   (( segid "    " and resid 145  and name HE22))
   (( segid "    " and resid 143  and name HA  ))
      4.500     2.500     1.500 peak  2490 spectrum    1 weight  0.10000E+01 volume  0.72171E-02 ppm1      6.938 ppm2      4.118 CV     1
 ASSI { 2492}
   (( segid "    " and resid 123  and name HN  ))
   (( segid "    " and resid 123  and name HB2 ))
      3.200     1.300     1.300 peak  2492 spectrum    1 weight  0.10000E+01 volume  0.63863E-02 ppm1      6.939 ppm2      3.332 CV     1
 ASSI { 2493}
   (( segid "    " and resid 123  and name HN  ))
   (( segid "    " and resid 154  and name HE1 ))
      3.500     1.600     1.600 peak  2493 spectrum    1 weight  0.10000E+01 volume  0.98557E-02 ppm1      6.939 ppm2      2.833 CV     1
 OR { 2493}
   (( segid "    " and resid 123  and name HN  ))
   (( segid "    " and resid 154  and name HE2 ))
 ASSI { 2494}
   (( segid "    " and resid 123  and name HN  ))
   (( segid "    " and resid 124  and name HB2 ))
      4.600     2.600     1.400 peak  2494 spectrum    1 weight  0.10000E+01 volume  0.33614E-02 ppm1      6.936 ppm2      2.185 CV     1
 OR { 2494}
   (( segid "    " and resid 123  and name HN  ))
   (( segid "    " and resid 124  and name HB1 ))
 ASSI { 2495}
   (( segid "    " and resid 123  and name HN  ))
   (( segid "    " and resid 118  and name HB2 ))
      6.000     6.000     0.000 peak  2495 spectrum    1 weight  0.10000E+01 volume  0.45144E-03 ppm1      6.931 ppm2      1.999 CV     1
 OR { 2495}
   (( segid "    " and resid 123  and name HN  ))
   (( segid "    " and resid 118  and name HB1 ))
 ASSI { 2497}
   (( segid "    " and resid 145  and name HE22))
   (  segid "    " and resid 146  and name HG2%)
      3.900     1.900     1.900 peak  2497 spectrum    1 weight  0.10000E+01 volume  0.52671E-02 ppm1      6.939 ppm2      0.767 CV     1
 ASSI { 2498}
   (( segid "    " and resid 123  and name HN  ))
   (( segid "    " and resid 121  and name HB1 ))
      4.300     2.300     1.700 peak  2498 spectrum    1 weight  0.10000E+01 volume  0.63079E-03 ppm1      6.938 ppm2     -0.666 CV     1
 ASSI { 2500}
   (( segid "    " and resid 139  and name HN  ))
   (( segid "    " and resid 140  and name HN  ))
      2.600     0.800     0.800 peak  2500 spectrum    1 weight  0.10000E+01 volume  0.16052E-01 ppm1      7.539 ppm2      8.373 CV     1
 ASSI { 2501}
   (( segid "    " and resid 139  and name HN  ))
   (( segid "    " and resid 141  and name HN  ))
      4.400     2.500     1.600 peak  2501 spectrum    1 weight  0.10000E+01 volume  0.46128E-02 ppm1      7.540 ppm2      7.980 CV     1
 ASSI { 2502}
   (( segid "    " and resid 139  and name HN  ))
   (  segid "    " and resid 137  and name HD% )
      4.400     2.400     1.600 peak  2502 spectrum    1 weight  0.10000E+01 volume  0.56748E-02 ppm1      7.540 ppm2      7.345 CV     1
 ASSI { 2505}
   (( segid "    " and resid 139  and name HN  ))
   (( segid "    " and resid 138  and name HD2 ))
      3.000     1.100     1.100 peak  2505 spectrum    1 weight  0.10000E+01 volume  0.11705E-01 ppm1      7.539 ppm2      4.021 CV     1
 OR { 2505}
   (( segid "    " and resid 139  and name HN  ))
   (( segid "    " and resid 138  and name HD1 ))
 ASSI { 2506}
   (( segid "    " and resid 139  and name HN  ))
   (( segid "    " and resid 137  and name HB1 ))
      2.400     0.700     0.700 peak  2506 spectrum    1 weight  0.10000E+01 volume  0.17572E-01 ppm1      7.539 ppm2      3.261 CV     1
 ASSI { 2507}
   (( segid "    " and resid 139  and name HN  ))
   (( segid "    " and resid 139  and name HB1 ))
      3.300     1.300     1.300 peak  2507 spectrum    1 weight  0.10000E+01 volume  0.10716E-01 ppm1      7.539 ppm2      3.054 CV     1
 ASSI { 2508}
   (( segid "    " and resid 139  and name HN  ))
   (( segid "    " and resid 139  and name HB2 ))
      2.800     1.000     1.000 peak  2508 spectrum    1 weight  0.10000E+01 volume  0.13769E-01 ppm1      7.540 ppm2      2.615 CV     1
 ASSI { 2509}
   (( segid "    " and resid 139  and name HN  ))
   (( segid "    " and resid 138  and name HB1 ))
      3.800     1.800     1.800 peak  2509 spectrum    1 weight  0.10000E+01 volume  0.96050E-02 ppm1      7.542 ppm2      2.415 CV     1
 ASSI { 2510}
   (( segid "    " and resid 139  and name HN  ))
   (( segid "    " and resid 138  and name HG2 ))
      3.400     1.400     1.400 peak  2510 spectrum    1 weight  0.10000E+01 volume  0.11259E-01 ppm1      7.539 ppm2      1.997 CV     1
 OR { 2510}
   (( segid "    " and resid 139  and name HN  ))
   (( segid "    " and resid 138  and name HG1 ))
 ASSI { 2511}
   (( segid "    " and resid 139  and name HN  ))
   (( segid "    " and resid 138  and name HB2 ))
      2.700     0.900     0.900 peak  2511 spectrum    1 weight  0.10000E+01 volume  0.14453E-01 ppm1      7.539 ppm2      1.843 CV     1
 ASSI { 2512}
   (( segid "    " and resid 139  and name HN  ))
   (  segid "    " and resid 136  and name HG2%)
      3.500     3.500     2.500 peak  2512 spectrum    1 weight  0.10000E+01 volume  0.87293E-02 ppm1      7.541 ppm2      1.031 CV     1
 OR { 2512}
   (( segid "    " and resid 139  and name HN  ))
   (  segid "    " and resid 136  and name HG1%)
 ASSI { 2513}
   (( segid "    " and resid 139  and name HN  ))
   (( segid "    " and resid 137  and name HN  ))
      5.100     3.200     0.900 peak  2513 spectrum    1 weight  0.10000E+01 volume  0.17653E-02 ppm1      7.538 ppm2      9.225 CV     1
 ASSI { 2515}
   (( segid "    " and resid 139  and name HN  ))
   (( segid "    " and resid 137  and name HA  ))
      4.000     2.000     2.000 peak  2515 spectrum    1 weight  0.10000E+01 volume  0.52798E-02 ppm1      7.538 ppm2      4.314 CV     1
 ASSI { 2516}
   (( segid "    " and resid 139  and name HN  ))
   (( segid "    " and resid 140  and name HA1 ))
      4.600     2.700     1.400 peak  2516 spectrum    1 weight  0.10000E+01 volume  0.45738E-02 ppm1      7.538 ppm2      3.514 CV     1
 ASSI { 2517}
   (( segid "    " and resid 139  and name HN  ))
   (( segid "    " and resid 137  and name HB2 ))
      3.100     1.200     1.200 peak  2517 spectrum    1 weight  0.10000E+01 volume  0.89243E-02 ppm1      7.538 ppm2      3.367 CV     1
 ASSI { 2523}
   (( segid "    " and resid 79   and name HE21))
   (  segid "    " and resid 76   and name HG2%)
      3.900     1.900     1.900 peak  2523 spectrum    1 weight  0.10000E+01 volume  0.26411E-02 ppm1      6.980 ppm2      0.842 CV     1
 ASSI { 2525}
   (( segid "    " and resid 79   and name HE22))
   (( segid "    " and resid 79   and name HE21))
      1.600     0.300     0.600 peak  2525 spectrum    1 weight  0.10000E+01 volume  0.96258E-01 ppm1      7.800 ppm2      6.975 CV     1
 ASSI { 2527}
   (( segid "    " and resid 79   and name HE22))
   (( segid "    " and resid 76   and name HA  ))
      5.900     4.300     0.100 peak  2527 spectrum    1 weight  0.10000E+01 volume  0.64150E-03 ppm1      7.801 ppm2      3.585 CV     1
 ASSI { 2528}
   (( segid "    " and resid 79   and name HE22))
   (( segid "    " and resid 79   and name HG2 ))
      4.200     2.200     1.800 peak  2528 spectrum    1 weight  0.10000E+01 volume  0.45691E-02 ppm1      7.800 ppm2      2.582 CV     1
 ASSI { 2529}
   (( segid "    " and resid 79   and name HE22))
   (( segid "    " and resid 79   and name HB2 ))
      4.300     2.300     1.700 peak  2529 spectrum    1 weight  0.10000E+01 volume  0.48417E-02 ppm1      7.800 ppm2      2.291 CV     1
 ASSI { 2530}
   (( segid "    " and resid 79   and name HE22))
   (  segid "    " and resid 24   and name HB% )
      3.700     1.700     1.700 peak  2530 spectrum    1 weight  0.10000E+01 volume  0.30892E-02 ppm1      7.800 ppm2      1.567 CV     1
 ASSI { 2533}
   (( segid "    " and resid 79   and name HE22))
   (( segid "    " and resid 76   and name HG11))
      6.000     4.500     0.000 peak  2533 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.794 ppm2      2.084 CV     1
 OR { 2533}
   (( segid "    " and resid 79   and name HE22))
   (( segid "    " and resid 76   and name HG12))
 ASSI { 2536}
   (( segid "    " and resid 79   and name HE21))
   (( segid "    " and resid 79   and name HA  ))
      6.000     6.000     0.000 peak  2536 spectrum    1 weight  0.10000E+01 volume  0.18172E-03 ppm1      6.982 ppm2      4.171 CV     1
 ASSI { 2537}
   (( segid "    " and resid 79   and name HE21))
   (( segid "    " and resid 76   and name HA  ))
      4.500     2.500     1.500 peak  2537 spectrum    1 weight  0.10000E+01 volume  0.62389E-03 ppm1      6.980 ppm2      3.588 CV     1
 ASSI { 2538}
   (( segid "    " and resid 79   and name HE21))
   (( segid "    " and resid 79   and name HB2 ))
      3.600     1.600     1.600 peak  2538 spectrum    1 weight  0.10000E+01 volume  0.20570E-02 ppm1      6.981 ppm2      2.281 CV     1
 ASSI { 2539}
   (( segid "    " and resid 79   and name HE21))
   (  segid "    " and resid 24   and name HB% )
      3.600     1.600     1.600 peak  2539 spectrum    1 weight  0.10000E+01 volume  0.47478E-02 ppm1      6.981 ppm2      1.565 CV     1
 ASSI { 2540}
   (( segid "    " and resid 79   and name HE21))
   (( segid "    " and resid 79   and name HG2 ))
      4.200     2.200     1.800 peak  2540 spectrum    1 weight  0.10000E+01 volume  0.17037E-02 ppm1      6.977 ppm2      2.575 CV     1
 ASSI { 2545}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 34   and name HN  ))
      2.600     0.800     0.800 peak  2545 spectrum    1 weight  0.10000E+01 volume  0.16434E-01 ppm1      7.319 ppm2      9.172 CV     1
 ASSI { 2550}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 58   and name HA  ))
      4.100     2.100     1.900 peak  2550 spectrum    1 weight  0.10000E+01 volume  0.32758E-02 ppm1      7.318 ppm2      5.017 CV     1
 ASSI { 2551}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 60   and name HA  ))
      3.700     1.700     1.700 peak  2551 spectrum    1 weight  0.10000E+01 volume  0.10582E-01 ppm1      7.322 ppm2      4.798 CV     1
 ASSI { 2552}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 35   and name HA  ))
      2.600     0.900     0.900 peak  2552 spectrum    1 weight  0.10000E+01 volume  0.18861E-01 ppm1      7.319 ppm2      4.617 CV     1
 ASSI { 2553}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 35   and name HB  ))
      3.600     1.600     1.600 peak  2553 spectrum    1 weight  0.10000E+01 volume  0.56283E-02 ppm1      7.319 ppm2      4.113 CV     1
 ASSI { 2557}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 34   and name HB2 ))
      3.000     1.100     1.100 peak  2557 spectrum    1 weight  0.10000E+01 volume  0.33032E-01 ppm1      7.319 ppm2      1.543 CV     1
 ASSI { 2568}
   (( segid "    " and resid 120  and name HN  ))
   (( segid "    " and resid 124  and name HB2 ))
      5.900     4.300     0.100 peak  2568 spectrum    1 weight  0.10000E+01 volume  0.63957E-03 ppm1      7.429 ppm2      2.174 CV     1
 OR { 2568}
   (( segid "    " and resid 120  and name HN  ))
   (( segid "    " and resid 124  and name HB1 ))
 ASSI { 2575}
   (( segid "    " and resid 120  and name HN  ))
   (( segid "    " and resid 119  and name HB2 ))
      4.200     2.200     1.800 peak  2575 spectrum    1 weight  0.10000E+01 volume  0.24495E-02 ppm1      7.422 ppm2      1.685 CV     1
 ASSI { 2577}
   (( segid "    " and resid 120  and name HN  ))
   (( segid "    " and resid 125  and name HG  ))
      5.200     3.300     0.800 peak  2577 spectrum    1 weight  0.10000E+01 volume  0.72067E-03 ppm1      7.423 ppm2      0.330 CV     1
 ASSI { 2580}
   (( segid "    " and resid 120  and name HN  ))
   (( segid "    " and resid 120  and name HA  ))
      3.000     1.100     1.100 peak  2580 spectrum    1 weight  0.10000E+01 volume  0.10509E-01 ppm1      7.419 ppm2      5.017 CV     1
 ASSI { 2581}
   (( segid "    " and resid 120  and name HN  ))
   (( segid "    " and resid 119  and name HA  ))
      3.100     1.200     1.200 peak  2581 spectrum    1 weight  0.10000E+01 volume  0.64060E-02 ppm1      7.418 ppm2      3.808 CV     1
 ASSI { 2583}
   (( segid "    " and resid 120  and name HN  ))
   (( segid "    " and resid 120  and name HB2 ))
      3.000     1.100     1.100 peak  2583 spectrum    1 weight  0.10000E+01 volume  0.11463E-01 ppm1      7.418 ppm2      2.511 CV     1
 ASSI { 2585}
   (( segid "    " and resid 120  and name HN  ))
   (( segid "    " and resid 119  and name HG1 ))
      3.000     1.100     1.100 peak  2585 spectrum    1 weight  0.10000E+01 volume  0.95845E-02 ppm1      7.418 ppm2      1.314 CV     1
 ASSI { 2588}
   (( segid "    " and resid 120  and name HN  ))
   (( segid "    " and resid 119  and name HG2 ))
      4.500     2.500     1.500 peak  2588 spectrum    1 weight  0.10000E+01 volume  0.17427E-02 ppm1      7.415 ppm2      0.528 CV     1
 ASSI { 2589}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 30   and name HN  ))
      2.700     0.900     0.900 peak  2589 spectrum    1 weight  0.10000E+01 volume  0.23388E-01 ppm1      7.268 ppm2      8.936 CV     1
 ASSI { 2590}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 63   and name HN  ))
      5.300     3.500     0.700 peak  2590 spectrum    1 weight  0.10000E+01 volume  0.81177E-03 ppm1      7.271 ppm2      8.252 CV     1
 ASSI { 2592}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 31   and name HA  ))
      2.500     0.800     0.800 peak  2592 spectrum    1 weight  0.10000E+01 volume  0.16884E-01 ppm1      7.269 ppm2      5.934 CV     1
 ASSI { 2593}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 32   and name HA  ))
      5.300     3.600     0.700 peak  2593 spectrum    1 weight  0.10000E+01 volume  0.48144E-03 ppm1      7.268 ppm2      4.917 CV     1
 ASSI { 2595}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 29   and name HA  ))
      3.600     1.600     1.600 peak  2595 spectrum    1 weight  0.10000E+01 volume  0.14298E-01 ppm1      7.270 ppm2      4.339 CV     1
 ASSI { 2596}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 30   and name HA  ))
      2.600     0.800     0.800 peak  2596 spectrum    1 weight  0.10000E+01 volume  0.23156E-01 ppm1      7.269 ppm2      3.914 CV     1
 ASSI { 2597}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 31   and name HB2 ))
      2.600     0.800     0.800 peak  2597 spectrum    1 weight  0.10000E+01 volume  0.27799E-01 ppm1      7.269 ppm2      3.596 CV     1
 OR { 2597}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 31   and name HB1 ))
 ASSI { 2598}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 32   and name HB2 ))
      5.100     3.200     0.900 peak  2598 spectrum    1 weight  0.10000E+01 volume  0.57400E-03 ppm1      7.267 ppm2      3.337 CV     1
 ASSI { 2600}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 30   and name HG1 ))
      4.200     2.200     1.800 peak  2600 spectrum    1 weight  0.10000E+01 volume  0.13084E-01 ppm1      7.270 ppm2      2.138 CV     1
 ASSI { 2601}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 30   and name HB2 ))
      3.800     1.800     1.800 peak  2601 spectrum    1 weight  0.10000E+01 volume  0.62567E-02 ppm1      7.267 ppm2      2.023 CV     1
 ASSI { 2609}
   (( segid "    " and resid 31   and name HN  ))
   (  segid "    " and resid 28   and name HG2%)
      3.500     3.500     2.500 peak  2609 spectrum    1 weight  0.10000E+01 volume  0.75598E-02 ppm1      7.269 ppm2      0.641 CV     1
 ASSI { 2611}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 62   and name HA  ))
      4.700     2.700     1.300 peak  2611 spectrum    1 weight  0.10000E+01 volume  0.27052E-02 ppm1      7.262 ppm2      5.515 CV     1
 ASSI { 2615}
   (( segid "    " and resid 19   and name HD21))
   (( segid "    " and resid 15   and name HG  ))
      3.700     1.800     1.800 peak  2615 spectrum    1 weight  0.10000E+01 volume  0.79568E-02 ppm1      7.396 ppm2      1.500 CV     1
 ASSI { 2617}
   (( segid "    " and resid 19   and name HD21))
   (( segid "    " and resid 19   and name HD22))
      1.900     0.400     0.400 peak  2617 spectrum    1 weight  0.10000E+01 volume  0.25551E-01 ppm1      7.394 ppm2      6.778 CV     1
 ASSI { 2618}
   (( segid "    " and resid 19   and name HD21))
   (( segid "    " and resid 19   and name HA  ))
      6.000     5.000     0.000 peak  2618 spectrum    1 weight  0.10000E+01 volume  0.50426E-03 ppm1      7.393 ppm2      4.582 CV     1
 ASSI { 2619}
   (( segid "    " and resid 19   and name HD21))
   (( segid "    " and resid 16   and name HA  ))
      2.600     0.800     0.800 peak  2619 spectrum    1 weight  0.10000E+01 volume  0.38185E-02 ppm1      7.393 ppm2      4.100 CV     1
 ASSI { 2620}
   (( segid "    " and resid 19   and name HD21))
   (( segid "    " and resid 19   and name HB2 ))
      2.600     0.800     0.800 peak  2620 spectrum    1 weight  0.10000E+01 volume  0.57090E-02 ppm1      7.395 ppm2      2.849 CV     1
 ASSI { 2621}
   (( segid "    " and resid 19   and name HD21))
   (( segid "    " and resid 19   and name HB1 ))
      3.800     1.800     1.800 peak  2621 spectrum    1 weight  0.10000E+01 volume  0.55793E-02 ppm1      7.395 ppm2      2.685 CV     1
 ASSI { 2626}
   (( segid "    " and resid 19   and name HD22))
   (( segid "    " and resid 19   and name HA  ))
      5.800     4.200     0.200 peak  2626 spectrum    1 weight  0.10000E+01 volume  0.88951E-03 ppm1      6.781 ppm2      4.581 CV     1
 ASSI { 2627}
   (( segid "    " and resid 19   and name HD22))
   (( segid "    " and resid 16   and name HA  ))
      4.200     2.200     1.800 peak  2627 spectrum    1 weight  0.10000E+01 volume  0.29843E-02 ppm1      6.777 ppm2      4.103 CV     1
 ASSI { 2628}
   (( segid "    " and resid 19   and name HD22))
   (( segid "    " and resid 19   and name HB2 ))
      4.100     2.100     1.900 peak  2628 spectrum    1 weight  0.10000E+01 volume  0.59313E-02 ppm1      6.776 ppm2      2.851 CV     1
 ASSI { 2629}
   (( segid "    " and resid 19   and name HD22))
   (( segid "    " and resid 19   and name HB1 ))
      4.300     2.300     1.700 peak  2629 spectrum    1 weight  0.10000E+01 volume  0.79549E-02 ppm1      6.774 ppm2      2.688 CV     1
 ASSI { 2630}
   (( segid "    " and resid 19   and name HD22))
   (( segid "    " and resid 15   and name HG  ))
      2.700     0.900     0.900 peak  2630 spectrum    1 weight  0.10000E+01 volume  0.78329E-02 ppm1      6.774 ppm2      1.497 CV     1
 ASSI { 2633}
   (( segid "    " and resid 17   and name HE21))
   (( segid "    " and resid 17   and name HB1 ))
      5.200     3.400     0.800 peak  2633 spectrum    1 weight  0.10000E+01 volume  0.59981E-03 ppm1      7.711 ppm2      2.157 CV     1
 OR { 2633}
   (( segid "    " and resid 17   and name HE21))
   (( segid "    " and resid 17   and name HB2 ))
 ASSI { 2634}
   (( segid "    " and resid 17   and name HE22))
   (( segid "    " and resid 17   and name HE21))
      2.200     0.600     0.600 peak  2634 spectrum    1 weight  0.10000E+01 volume  0.16122E-01 ppm1      6.854 ppm2      7.706 CV     1
 ASSI { 2635}
   (( segid "    " and resid 17   and name HE22))
   (( segid "    " and resid 93   and name HB  ))
      5.200     3.400     0.800 peak  2635 spectrum    1 weight  0.10000E+01 volume  0.72209E-03 ppm1      6.856 ppm2      4.109 CV     1
 ASSI { 2636}
   (( segid "    " and resid 17   and name HE22))
   (( segid "    " and resid 17   and name HA  ))
      4.500     2.600     1.500 peak  2636 spectrum    1 weight  0.10000E+01 volume  0.19906E-02 ppm1      6.855 ppm2      3.987 CV     1
 ASSI { 2637}
   (( segid "    " and resid 17   and name HE22))
   (( segid "    " and resid 9    and name HB1 ))
      6.000     5.100     0.000 peak  2637 spectrum    1 weight  0.10000E+01 volume  0.41470E-03 ppm1      6.854 ppm2      3.880 CV     1
 ASSI { 2638}
   (( segid "    " and resid 17   and name HE22))
   (( segid "    " and resid 17   and name HG1 ))
      3.900     1.900     1.900 peak  2638 spectrum    1 weight  0.10000E+01 volume  0.69534E-02 ppm1      6.856 ppm2      2.627 CV     1
 OR { 2638}
   (( segid "    " and resid 17   and name HE22))
   (( segid "    " and resid 17   and name HG2 ))
 ASSI { 2639}
   (( segid "    " and resid 17   and name HE22))
   (  segid "    " and resid 93   and name HG2%)
      3.100     1.200     1.200 peak  2639 spectrum    1 weight  0.10000E+01 volume  0.11945E-01 ppm1      6.855 ppm2      1.230 CV     1
 ASSI { 2640}
   (( segid "    " and resid 74   and name HE21))
   (( segid "    " and resid 74   and name HE22))
      2.400     0.700     0.700 peak  2640 spectrum    1 weight  0.10000E+01 volume  0.98565E-02 ppm1      8.219 ppm2      7.092 CV     1
 ASSI { 2641}
   (( segid "    " and resid 74   and name HE21))
   (( segid "    " and resid 95   and name HA  ))
      6.000     5.200     0.000 peak  2641 spectrum    1 weight  0.10000E+01 volume  0.28809E-03 ppm1      8.218 ppm2      5.165 CV     1
 ASSI { 2644}
   (( segid "    " and resid 17   and name HE21))
   (( segid "    " and resid 17   and name HG1 ))
      3.100     1.200     1.200 peak  2644 spectrum    1 weight  0.10000E+01 volume  0.53639E-02 ppm1      7.712 ppm2      2.623 CV     1
 OR { 2644}
   (( segid "    " and resid 17   and name HE21))
   (( segid "    " and resid 17   and name HG2 ))
 ASSI { 2649}
   (( segid "    " and resid 74   and name HE22))
   (( segid "    " and resid 74   and name HA  ))
      6.000     6.000     0.000 peak  2649 spectrum    1 weight  0.10000E+01 volume  0.14692E-03 ppm1      7.099 ppm2      4.254 CV     1
 ASSI { 2651}
   (( segid "    " and resid 74   and name HE22))
   (( segid "    " and resid 95   and name HA  ))
      4.600     2.600     1.400 peak  2651 spectrum    1 weight  0.10000E+01 volume  0.93751E-03 ppm1      7.091 ppm2      5.189 CV     1
 ASSI { 2653}
   (( segid "    " and resid 74   and name HE22))
   (( segid "    " and resid 74   and name HG2 ))
      5.200     3.400     0.800 peak  2653 spectrum    1 weight  0.10000E+01 volume  0.11618E-02 ppm1      7.090 ppm2      2.958 CV     1
 ASSI { 2654}
   (( segid "    " and resid 74   and name HE22))
   (( segid "    " and resid 74   and name HG1 ))
      6.000     4.800     0.000 peak  2654 spectrum    1 weight  0.10000E+01 volume  0.50626E-03 ppm1      7.093 ppm2      2.431 CV     1
 ASSI { 2655}
   (( segid "    " and resid 74   and name HE22))
   (  segid "    " and resid 70   and name HD2%)
      4.300     2.300     1.700 peak  2655 spectrum    1 weight  0.10000E+01 volume  0.35167E-02 ppm1      7.093 ppm2      0.720 CV     1
 ASSI { 2658}
   (( segid "    " and resid 17   and name HE22))
   (( segid "    " and resid 17   and name HB1 ))
      6.000     6.000     0.000 peak  2658 spectrum    1 weight  0.10000E+01 volume  0.15811E-03 ppm1      6.855 ppm2      2.135 CV     1
 OR { 2658}
   (( segid "    " and resid 17   and name HE22))
   (( segid "    " and resid 17   and name HB2 ))
 ASSI { 2665}
   (( segid "    " and resid 140  and name HN  ))
   (( segid "    " and resid 137  and name HN  ))
      4.200     2.200     1.800 peak  2665 spectrum    1 weight  0.10000E+01 volume  0.27646E-02 ppm1      8.376 ppm2      9.228 CV     1
 ASSI { 2669}
   (( segid "    " and resid 140  and name HN  ))
   (  segid "    " and resid 137  and name HD% )
      5.700     4.000     0.300 peak  2669 spectrum    1 weight  0.10000E+01 volume  0.16643E-02 ppm1      8.377 ppm2      7.341 CV     1
 ASSI { 2670}
   (( segid "    " and resid 140  and name HN  ))
   (( segid "    " and resid 140  and name HA2 ))
      2.400     0.700     0.700 peak  2670 spectrum    1 weight  0.10000E+01 volume  0.30087E-01 ppm1      8.375 ppm2      4.405 CV     1
 ASSI { 2672}
   (( segid "    " and resid 140  and name HN  ))
   (( segid "    " and resid 138  and name HD2 ))
      3.200     3.200     2.800 peak  2672 spectrum    1 weight  0.10000E+01 volume  0.91526E-03 ppm1      8.375 ppm2      4.021 CV     1
 OR { 2672}
   (( segid "    " and resid 140  and name HN  ))
   (( segid "    " and resid 138  and name HD1 ))
 ASSI { 2673}
   (( segid "    " and resid 140  and name HN  ))
   (( segid "    " and resid 140  and name HA1 ))
      2.600     0.800     0.800 peak  2673 spectrum    1 weight  0.10000E+01 volume  0.26756E-01 ppm1      8.375 ppm2      3.526 CV     1
 ASSI { 2675}
   (( segid "    " and resid 140  and name HN  ))
   (( segid "    " and resid 139  and name HB1 ))
      3.200     1.300     1.300 peak  2675 spectrum    1 weight  0.10000E+01 volume  0.38730E-02 ppm1      8.375 ppm2      3.053 CV     1
 ASSI { 2676}
   (( segid "    " and resid 140  and name HN  ))
   (( segid "    " and resid 139  and name HB2 ))
      3.700     1.700     1.700 peak  2676 spectrum    1 weight  0.10000E+01 volume  0.35813E-02 ppm1      8.375 ppm2      2.620 CV     1
 ASSI { 2679}
   (( segid "    " and resid 140  and name HN  ))
   (( segid "    " and resid 141  and name HB2 ))
      4.100     2.100     1.900 peak  2679 spectrum    1 weight  0.10000E+01 volume  0.43420E-02 ppm1      8.376 ppm2      1.860 CV     1
 ASSI { 2681}
   (( segid "    " and resid 140  and name HN  ))
   (  segid "    " and resid 136  and name HG2%)
      3.200     1.300     1.300 peak  2681 spectrum    1 weight  0.10000E+01 volume  0.15151E-01 ppm1      8.374 ppm2      1.025 CV     1
 OR { 2681}
   (( segid "    " and resid 140  and name HN  ))
   (  segid "    " and resid 136  and name HG1%)
 ASSI { 2684}
   (( segid "    " and resid 10   and name HD22))
   (( segid "    " and resid 10   and name HD21))
      3.200     3.200     2.800 peak  2684 spectrum    1 weight  0.10000E+01 volume  0.62820E-03 ppm1      6.862 ppm2      6.461 CV     1
 ASSI { 2689}
   (( segid "    " and resid 10   and name HD22))
   (( segid "    " and resid 10   and name HA  ))
      6.000     6.000     0.000 peak  2689 spectrum    1 weight  0.10000E+01 volume  0.15592E-03 ppm1      6.871 ppm2      4.688 CV     1
 ASSI { 2690}
   (( segid "    " and resid 10   and name HD22))
   (( segid "    " and resid 91   and name HG2 ))
      3.000     1.100     1.100 peak  2690 spectrum    1 weight  0.10000E+01 volume  0.44964E-02 ppm1      6.862 ppm2      2.067 CV     1
 OR { 2690}
   (( segid "    " and resid 10   and name HD22))
   (( segid "    " and resid 91   and name HG1 ))
 ASSI { 2695}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 12   and name HN  ))
      3.200     1.300     1.300 peak  2695 spectrum    1 weight  0.10000E+01 volume  0.71326E-02 ppm1      8.706 ppm2      8.147 CV     1
 ASSI { 2696}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 13   and name HB1 ))
      3.900     1.900     1.900 peak  2696 spectrum    1 weight  0.10000E+01 volume  0.54057E-02 ppm1      8.706 ppm2      4.428 CV     1
 ASSI { 2697}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 13   and name HA  ))
      2.500     0.800     0.800 peak  2697 spectrum    1 weight  0.10000E+01 volume  0.20737E-01 ppm1      8.705 ppm2      4.084 CV     1
 ASSI { 2698}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 12   and name HA  ))
      2.900     1.000     1.000 peak  2698 spectrum    1 weight  0.10000E+01 volume  0.13870E-01 ppm1      8.706 ppm2      3.876 CV     1
 ASSI { 2699}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 14   and name HD2 ))
      4.300     2.300     1.700 peak  2699 spectrum    1 weight  0.10000E+01 volume  0.74204E-02 ppm1      8.706 ppm2      3.710 CV     1
 ASSI { 2703}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 14   and name HG1 ))
      6.000     5.900     0.000 peak  2703 spectrum    1 weight  0.10000E+01 volume  0.43661E-03 ppm1      8.702 ppm2      1.440 CV     1
 ASSI { 2704}
   (( segid "    " and resid 13   and name HN  ))
   (  segid "    " and resid 12   and name HB% )
      3.600     1.700     1.700 peak  2704 spectrum    1 weight  0.10000E+01 volume  0.86840E-02 ppm1      8.706 ppm2      1.237 CV     1
 ASSI { 2711}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 80   and name HB2 ))
      4.600     2.600     1.400 peak  2711 spectrum    1 weight  0.10000E+01 volume  0.25180E-02 ppm1      7.933 ppm2      2.866 CV     1
 ASSI { 2714}
   (( segid "    " and resid 80   and name HE21))
   (( segid "    " and resid 80   and name HE22))
      2.200     0.600     0.600 peak  2714 spectrum    1 weight  0.10000E+01 volume  0.95950E-02 ppm1      7.884 ppm2      7.446 CV     1
 ASSI { 2715}
   (( segid "    " and resid 80   and name HE21))
   (( segid "    " and resid 19   and name HB2 ))
      4.000     2.000     2.000 peak  2715 spectrum    1 weight  0.10000E+01 volume  0.45984E-02 ppm1      7.883 ppm2      2.860 CV     1
 ASSI { 2717}
   (( segid "    " and resid 80   and name HE21))
   (  segid "    " and resid 20   and name HB% )
      3.500     1.500     1.500 peak  2717 spectrum    1 weight  0.10000E+01 volume  0.57047E-02 ppm1      7.887 ppm2      1.468 CV     1
 ASSI { 2718}
   (( segid "    " and resid 80   and name HE21))
   (  segid "    " and resid 76   and name HG2%)
      2.400     2.400     3.600 peak  2718 spectrum    1 weight  0.10000E+01 volume  0.41740E-02 ppm1      7.886 ppm2      0.833 CV     1
 ASSI { 2719}
   (( segid "    " and resid 80   and name HE22))
   (( segid "    " and resid 21   and name HN  ))
      4.700     2.700     1.300 peak  2719 spectrum    1 weight  0.10000E+01 volume  0.10547E-02 ppm1      7.457 ppm2      8.478 CV     1
 ASSI { 2722}
   (( segid "    " and resid 80   and name HE22))
   (( segid "    " and resid 80   and name HA  ))
      5.500     3.800     0.500 peak  2722 spectrum    1 weight  0.10000E+01 volume  0.54537E-03 ppm1      7.453 ppm2      4.534 CV     1
 ASSI { 2724}
   (( segid "    " and resid 80   and name HE22))
   (( segid "    " and resid 17   and name HA  ))
      3.200     1.300     1.300 peak  2724 spectrum    1 weight  0.10000E+01 volume  0.59528E-02 ppm1      7.453 ppm2      3.987 CV     1
 ASSI { 2727}
   (( segid "    " and resid 80   and name HE22))
   (( segid "    " and resid 16   and name HB1 ))
      2.900     2.900     3.100 peak  2727 spectrum    1 weight  0.10000E+01 volume  0.10831E-01 ppm1      7.454 ppm2      2.208 CV     1
 ASSI { 2728}
   (( segid "    " and resid 80   and name HE22))
   (( segid "    " and resid 80   and name HB1 ))
      4.100     2.200     1.900 peak  2728 spectrum    1 weight  0.10000E+01 volume  0.78016E-02 ppm1      7.453 ppm2      1.766 CV     1
 ASSI { 2729}
   (( segid "    " and resid 80   and name HE22))
   (  segid "    " and resid 20   and name HB% )
      2.600     0.900     0.900 peak  2729 spectrum    1 weight  0.10000E+01 volume  0.15078E-01 ppm1      7.453 ppm2      1.474 CV     1
 ASSI { 2732}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 80   and name HA  ))
      3.400     1.400     1.400 peak  2732 spectrum    1 weight  0.10000E+01 volume  0.70085E-02 ppm1      7.930 ppm2      4.532 CV     1
 ASSI { 2733}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 81   and name HA2 ))
      2.300     0.700     0.700 peak  2733 spectrum    1 weight  0.10000E+01 volume  0.29359E-01 ppm1      7.930 ppm2      4.134 CV     1
 ASSI { 2734}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 81   and name HA1 ))
      3.000     1.100     1.100 peak  2734 spectrum    1 weight  0.10000E+01 volume  0.23355E-01 ppm1      7.929 ppm2      3.827 CV     1
 ASSI { 2736}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 79   and name HN  ))
      4.100     2.100     1.900 peak  2736 spectrum    1 weight  0.10000E+01 volume  0.23271E-02 ppm1      7.928 ppm2      8.763 CV     1
 ASSI { 2740}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 80   and name HG1 ))
      4.300     2.300     1.700 peak  2740 spectrum    1 weight  0.10000E+01 volume  0.38138E-02 ppm1      7.928 ppm2      2.510 CV     1
 ASSI { 2748}
   (( segid "    " and resid 131  and name HN  ))
   (( segid "    " and resid 128  and name HN  ))
      4.700     2.800     1.300 peak  2748 spectrum    1 weight  0.10000E+01 volume  0.14702E-02 ppm1      6.932 ppm2      6.574 CV     1
 ASSI { 2749}
   (( segid "    " and resid 131  and name HN  ))
   (( segid "    " and resid 131  and name HA  ))
      2.800     1.000     1.000 peak  2749 spectrum    1 weight  0.10000E+01 volume  0.89000E-02 ppm1      6.933 ppm2      4.498 CV     1
 ASSI { 2750}
   (( segid "    " and resid 131  and name HN  ))
   (( segid "    " and resid 37   and name HA  ))
      6.000     6.000     0.000 peak  2750 spectrum    1 weight  0.10000E+01 volume  0.15446E-03 ppm1      6.935 ppm2      4.260 CV     1
 ASSI { 2751}
   (( segid "    " and resid 131  and name HN  ))
   (( segid "    " and resid 37   and name HB2 ))
      5.500     3.800     0.500 peak  2751 spectrum    1 weight  0.10000E+01 volume  0.82695E-03 ppm1      6.934 ppm2      4.096 CV     1
 ASSI { 2752}
   (( segid "    " and resid 131  and name HN  ))
   (( segid "    " and resid 128  and name HA  ))
      2.800     1.000     1.000 peak  2752 spectrum    1 weight  0.10000E+01 volume  0.86950E-02 ppm1      6.933 ppm2      3.857 CV     1
 ASSI { 2753}
   (( segid "    " and resid 131  and name HN  ))
   (( segid "    " and resid 130  and name HB2 ))
      3.700     1.700     1.700 peak  2753 spectrum    1 weight  0.10000E+01 volume  0.47524E-02 ppm1      6.932 ppm2      2.287 CV     1
 ASSI { 2755}
   (( segid "    " and resid 131  and name HN  ))
   (( segid "    " and resid 131  and name HB  ))
      3.400     1.400     1.400 peak  2755 spectrum    1 weight  0.10000E+01 volume  0.81073E-02 ppm1      6.933 ppm2      2.149 CV     1
 ASSI { 2756}
   (( segid "    " and resid 131  and name HN  ))
   (( segid "    " and resid 131  and name HG12))
      2.500     0.800     0.800 peak  2756 spectrum    1 weight  0.10000E+01 volume  0.12037E-01 ppm1      6.933 ppm2      1.657 CV     1
 OR { 2756}
   (( segid "    " and resid 131  and name HN  ))
   (( segid "    " and resid 131  and name HG11))
 ASSI { 2757}
   (( segid "    " and resid 131  and name HN  ))
   (( segid "    " and resid 133  and name HB1 ))
      3.300     3.300     2.700 peak  2757 spectrum    1 weight  0.10000E+01 volume  0.12650E-01 ppm1      6.934 ppm2      1.477 CV     1
 ASSI { 2758}
   (( segid "    " and resid 131  and name HN  ))
   (  segid "    " and resid 59   and name HB% )
      4.400     2.400     1.600 peak  2758 spectrum    1 weight  0.10000E+01 volume  0.79761E-02 ppm1      6.934 ppm2      1.266 CV     1
 ASSI { 2762}
   (( segid "    " and resid 131  and name HN  ))
   (( segid "    " and resid 128  and name HG  ))
      4.400     2.500     1.600 peak  2762 spectrum    1 weight  0.10000E+01 volume  0.27886E-02 ppm1      6.935 ppm2      0.309 CV     1
 ASSI { 2763}
   (( segid "    " and resid 131  and name HN  ))
   (( segid "    " and resid 129  and name HN  ))
      5.900     4.300     0.100 peak  2763 spectrum    1 weight  0.10000E+01 volume  0.44201E-03 ppm1      6.928 ppm2      8.650 CV     1
 ASSI { 2764}
   (( segid "    " and resid 131  and name HN  ))
   (( segid "    " and resid 132  and name HA  ))
      5.500     3.800     0.500 peak  2764 spectrum    1 weight  0.10000E+01 volume  0.93066E-03 ppm1      6.931 ppm2      4.770 CV     1
 ASSI { 2765}
   (( segid "    " and resid 131  and name HN  ))
   (( segid "    " and resid 133  and name HD2 ))
      6.000     4.600     0.000 peak  2765 spectrum    1 weight  0.10000E+01 volume  0.98626E-03 ppm1      6.929 ppm2      3.128 CV     1
 ASSI { 2766}
   (( segid "    " and resid 131  and name HN  ))
   (( segid "    " and resid 130  and name HB1 ))
      3.300     1.300     1.300 peak  2766 spectrum    1 weight  0.10000E+01 volume  0.42776E-02 ppm1      6.932 ppm2      2.643 CV     1
 ASSI { 2770}
   (( segid "    " and resid 90   and name HN  ))
   (( segid "    " and resid 87   and name HG1 ))
      4.300     2.400     1.700 peak  2770 spectrum    1 weight  0.10000E+01 volume  0.23308E-02 ppm1      7.892 ppm2      2.333 CV     1
 OR { 2770}
   (( segid "    " and resid 90   and name HN  ))
   (( segid "    " and resid 87   and name HG2 ))
 ASSI { 2772}
   (( segid "    " and resid 90   and name HN  ))
   (( segid "    " and resid 88   and name HA  ))
      4.200     2.200     1.800 peak  2772 spectrum    1 weight  0.10000E+01 volume  0.40569E-02 ppm1      7.884 ppm2      4.073 CV     1
 ASSI { 2773}
   (( segid "    " and resid 90   and name HN  ))
   (( segid "    " and resid 90   and name HA1 ))
      2.400     0.700     0.700 peak  2773 spectrum    1 weight  0.10000E+01 volume  0.12540E-01 ppm1      7.887 ppm2      3.918 CV     1
 ASSI { 2774}
   (( segid "    " and resid 90   and name HN  ))
   (( segid "    " and resid 91   and name HD2 ))
      4.200     2.200     1.800 peak  2774 spectrum    1 weight  0.10000E+01 volume  0.49296E-02 ppm1      7.888 ppm2      3.678 CV     1
 ASSI { 2777}
   (( segid "    " and resid 90   and name HN  ))
   (( segid "    " and resid 91   and name HD1 ))
      4.400     2.500     1.600 peak  2777 spectrum    1 weight  0.10000E+01 volume  0.51184E-02 ppm1      7.890 ppm2      3.512 CV     1
 ASSI { 2778}
   (( segid "    " and resid 90   and name HN  ))
   (( segid "    " and resid 89   and name HN  ))
      2.800     1.000     1.000 peak  2778 spectrum    1 weight  0.10000E+01 volume  0.42785E-02 ppm1      7.884 ppm2      9.345 CV     1
 ASSI { 2779}
   (( segid "    " and resid 90   and name HN  ))
   (( segid "    " and resid 89   and name HE3 ))
      6.000     4.500     0.000 peak  2779 spectrum    1 weight  0.10000E+01 volume  0.44472E-03 ppm1      7.884 ppm2      7.600 CV     1
 ASSI { 2784}
   (( segid "    " and resid 90   and name HN  ))
   (( segid "    " and resid 90   and name HA2 ))
      2.800     1.000     1.000 peak  2784 spectrum    1 weight  0.10000E+01 volume  0.11074E-01 ppm1      7.886 ppm2      4.327 CV     1
 ASSI { 2786}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 26   and name HA2 ))
      2.900     1.100     1.100 peak  2786 spectrum    1 weight  0.10000E+01 volume  0.20392E-01 ppm1      7.504 ppm2      3.973 CV     1
 ASSI { 2787}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 27   and name HB1 ))
      5.200     3.400     0.800 peak  2787 spectrum    1 weight  0.10000E+01 volume  0.23251E-02 ppm1      7.503 ppm2      2.587 CV     1
 ASSI { 2791}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 24   and name HN  ))
      5.000     3.100     1.000 peak  2791 spectrum    1 weight  0.10000E+01 volume  0.96625E-03 ppm1      7.504 ppm2      7.925 CV     1
 ASSI { 2798}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 26   and name HA1 ))
      2.100     0.600     0.600 peak  2798 spectrum    1 weight  0.10000E+01 volume  0.49234E-01 ppm1      7.503 ppm2      3.886 CV     1
 ASSI { 2801}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 23   and name HD1 ))
      5.700     4.100     0.300 peak  2801 spectrum    1 weight  0.10000E+01 volume  0.15348E-03 ppm1      7.503 ppm2      1.738 CV     1
 ASSI { 2803}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 25   and name HB2 ))
      3.000     1.100     1.100 peak  2803 spectrum    1 weight  0.10000E+01 volume  0.64810E-02 ppm1      7.503 ppm2      1.187 CV     1
 ASSI { 2804}
   (( segid "    " and resid 26   and name HN  ))
   (  segid "    " and resid 25   and name HD2%)
      3.600     1.600     1.600 peak  2804 spectrum    1 weight  0.10000E+01 volume  0.22737E-01 ppm1      7.502 ppm2      0.870 CV     1
 OR { 2804}
   (( segid "    " and resid 26   and name HN  ))
   (  segid "    " and resid 25   and name HD1%)
 ASSI { 2808}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 14   and name HB1 ))
      4.600     2.600     1.400 peak  2808 spectrum    1 weight  0.10000E+01 volume  0.28041E-02 ppm1      8.173 ppm2      1.875 CV     1
 ASSI { 2809}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 26   and name HN  ))
      2.500     0.800     0.800 peak  2809 spectrum    1 weight  0.10000E+01 volume  0.13497E-01 ppm1      9.347 ppm2      7.491 CV     1
 ASSI { 2814}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 14   and name HA  ))
      3.000     1.100     1.100 peak  2814 spectrum    1 weight  0.10000E+01 volume  0.11673E-01 ppm1      8.557 ppm2      4.329 CV     1
 ASSI { 2815}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 82   and name HA  ))
      3.100     1.200     1.200 peak  2815 spectrum    1 weight  0.10000E+01 volume  0.57704E-02 ppm1      8.211 ppm2      4.378 CV     1
 ASSI { 2816}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 40   and name HB1 ))
      4.000     2.000     2.000 peak  2816 spectrum    1 weight  0.10000E+01 volume  0.35686E-02 ppm1      9.403 ppm2      2.712 CV     1
 ASSI { 2817}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 55   and name HB1 ))
      3.200     1.300     1.300 peak  2817 spectrum    1 weight  0.10000E+01 volume  0.54258E-02 ppm1      9.399 ppm2      3.348 CV     1
 ASSI {    1}
   (( segid "    " and resid 37   and name HB1 ))
   (( segid "    " and resid 37   and name HA  ))
      6.000     4.500     0.000 peak     1 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.143 ppm2      4.260 CV     1
 ASSI {    2}
   (( segid "    " and resid 37   and name HB1 ))
   (( segid "    " and resid 37   and name HN  ))
      6.000     4.500     0.000 peak     2 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.132 ppm2      9.142 CV     1
 ASSI {    3}
   (( segid "    " and resid 37   and name HB1 ))
   (  segid "    " and resid 40   and name HD% )
      6.000     4.500     0.000 peak     3 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.134 ppm2      7.043 CV     1
 ASSI {    4}
   (( segid "    " and resid 37   and name HB1 ))
   (( segid "    " and resid 37   and name HB2 ))
      6.000     4.500     0.000 peak     4 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.135 ppm2      4.080 CV     1
 ASSI {    7}
   (( segid "    " and resid 37   and name HB1 ))
   (  segid "    " and resid 131  and name HG2%)
      6.000     4.500     0.000 peak     7 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.122 ppm2      0.858 CV     1
 ASSI {   17}
   (( segid "    " and resid 112  and name HA  ))
   (( segid "    " and resid 107  and name HA  ))
      6.000     4.500     0.000 peak    17 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.254 ppm2      5.523 CV     1
 ASSI {   19}
   (( segid "    " and resid 112  and name HA  ))
   (( segid "    " and resid 112  and name HB  ))
      6.000     4.500     0.000 peak    19 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.249 ppm2      4.370 CV     1
 ASSI {   20}
   (( segid "    " and resid 112  and name HA  ))
   (( segid "    " and resid 113  and name HB  ))
      6.000     4.500     0.000 peak    20 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.249 ppm2      1.881 CV     1
 ASSI {   21}
   (( segid "    " and resid 112  and name HA  ))
   (  segid "    " and resid 112  and name HG2%)
      6.000     4.500     0.000 peak    21 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.248 ppm2      1.460 CV     1
 ASSI {   22}
   (( segid "    " and resid 112  and name HA  ))
   (  segid "    " and resid 113  and name HG1%)
      6.000     4.500     0.000 peak    22 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.252 ppm2      0.912 CV     1
 ASSI {   25}
   (( segid "    " and resid 114  and name HA  ))
   (( segid "    " and resid 114  and name HG1 ))
      6.000     4.500     0.000 peak    25 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.471 ppm2      2.465 CV     1
 ASSI {   29}
   (( segid "    " and resid 114  and name HA  ))
   (( segid "    " and resid 114  and name HD2 ))
      6.000     4.500     0.000 peak    29 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.469 ppm2      3.676 CV     1
 ASSI {   30}
   (( segid "    " and resid 114  and name HA  ))
   (( segid "    " and resid 114  and name HB2 ))
      6.000     4.500     0.000 peak    30 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.471 ppm2      2.879 CV     1
 ASSI {   31}
   (( segid "    " and resid 114  and name HA  ))
   (( segid "    " and resid 114  and name HB1 ))
      6.000     4.500     0.000 peak    31 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.469 ppm2      2.102 CV     1
 ASSI {   32}
   (( segid "    " and resid 114  and name HA  ))
   (  segid "    " and resid 113  and name HG2%)
      6.000     4.500     0.000 peak    32 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.472 ppm2      1.178 CV     1
 ASSI {   33}
   (( segid "    " and resid 114  and name HA  ))
   (  segid "    " and resid 113  and name HG1%)
      6.000     4.500     0.000 peak    33 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.472 ppm2      0.884 CV     1
 ASSI {   34}
   (( segid "    " and resid 114  and name HA  ))
   (( segid "    " and resid 113  and name HA  ))
      6.000     4.500     0.000 peak    34 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.467 ppm2      4.326 CV     1
 ASSI {   40}
   (( segid "    " and resid 62   and name HA  ))
   (( segid "    " and resid 31   and name HA  ))
      6.000     4.500     0.000 peak    40 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.529 ppm2      5.918 CV     1
 ASSI {   42}
   (( segid "    " and resid 62   and name HA  ))
   (( segid "    " and resid 62   and name HB  ))
      6.000     4.500     0.000 peak    42 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.530 ppm2      3.834 CV     1
 ASSI {   43}
   (( segid "    " and resid 62   and name HA  ))
   (( segid "    " and resid 31   and name HB1 ))
      6.000     4.500     0.000 peak    43 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.527 ppm2      3.616 CV     1
 OR {   43}
   (( segid "    " and resid 62   and name HA  ))
   (( segid "    " and resid 31   and name HB2 ))
 ASSI {   44}
   (( segid "    " and resid 62   and name HA  ))
   (( segid "    " and resid 64   and name HB1 ))
      6.000     4.500     0.000 peak    44 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.527 ppm2      1.504 CV     1
 ASSI {   45}
   (( segid "    " and resid 62   and name HA  ))
   (( segid "    " and resid 60   and name HG  ))
      6.000     4.500     0.000 peak    45 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.530 ppm2      1.293 CV     1
 ASSI {   46}
   (( segid "    " and resid 62   and name HA  ))
   (  segid "    " and resid 62   and name HG2%)
      6.000     4.500     0.000 peak    46 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.529 ppm2      1.109 CV     1
 ASSI {   47}
   (( segid "    " and resid 62   and name HA  ))
   (  segid "    " and resid 60   and name HD1%)
      6.000     4.500     0.000 peak    47 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.528 ppm2      0.747 CV     1
 ASSI {   51}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 44   and name HD1 ))
      6.000     4.500     0.000 peak    51 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.112 ppm2      4.112 CV     1
 ASSI {   52}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 43   and name HB1 ))
      6.000     4.500     0.000 peak    52 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.114 ppm2      2.443 CV     1
 ASSI {   53}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 50   and name HB1 ))
      6.000     4.500     0.000 peak    53 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.116 ppm2      1.999 CV     1
 OR {   53}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 50   and name HB2 ))
 ASSI {   58}
   (( segid "    " and resid 58   and name HA  ))
   (  segid "    " and resid 58   and name HG1%)
      6.000     4.500     0.000 peak    58 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.026 ppm2      1.002 CV     1
 OR {   58}
   (( segid "    " and resid 58   and name HA  ))
   (  segid "    " and resid 58   and name HG2%)
 ASSI {   60}
   (( segid "    " and resid 58   and name HA  ))
   (( segid "    " and resid 58   and name HB  ))
      6.000     4.500     0.000 peak    60 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.035 ppm2      1.999 CV     1
 ASSI {   61}
   (( segid "    " and resid 58   and name HA  ))
   (  segid "    " and resid 131  and name HG2%)
      6.000     4.500     0.000 peak    61 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.029 ppm2      0.852 CV     1
 ASSI {   63}
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 40   and name HB1 ))
      6.000     4.500     0.000 peak    63 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.262 ppm2      2.716 CV     1
 ASSI {   64}
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 40   and name HN  ))
      6.000     4.500     0.000 peak    64 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.265 ppm2      9.114 CV     1
 ASSI {   66}
   (( segid "    " and resid 40   and name HA  ))
   (  segid "    " and resid 40   and name HD% )
      6.000     4.500     0.000 peak    66 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.262 ppm2      7.046 CV     1
 ASSI {   67}
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 157  and name HA  ))
      6.000     4.500     0.000 peak    67 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.266 ppm2      4.484 CV     1
 ASSI {   76}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 66   and name HD1 ))
      6.000     6.000     0.000 peak    76 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.019 ppm2      3.446 CV     1
 ASSI {   78}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 63   and name HB1 ))
      6.000     4.500     0.000 peak    78 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.005 ppm2      4.064 CV     1
 OR {   78}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 63   and name HB2 ))
 ASSI {   87}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 62   and name HB  ))
      6.000     4.500     0.000 peak    87 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.959 ppm2      3.838 CV     1
 ASSI {   88}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 31   and name HB1 ))
      6.000     4.500     0.000 peak    88 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.956 ppm2      3.609 CV     1
 OR {   88}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 31   and name HB2 ))
 ASSI {   90}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 60   and name HG  ))
      6.000     4.500     0.000 peak    90 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.955 ppm2      1.298 CV     1
 ASSI {   91}
   (( segid "    " and resid 31   and name HA  ))
   (  segid "    " and resid 62   and name HG2%)
      6.000     4.500     0.000 peak    91 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.958 ppm2      1.113 CV     1
 ASSI {   97}
   (( segid "    " and resid 4    and name HA  ))
   (( segid "    " and resid 58   and name HN  ))
      6.000     4.500     0.000 peak    97 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.578 ppm2      9.099 CV     1
 ASSI {   98}
   (( segid "    " and resid 4    and name HA  ))
   (  segid "    " and resid 4    and name HD% )
      6.000     4.500     0.000 peak    98 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.574 ppm2      6.837 CV     1
 ASSI {  103}
   (( segid "    " and resid 4    and name HA  ))
   (  segid "    " and resid 131  and name HG2%)
      6.000     4.500     0.000 peak   103 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.578 ppm2      0.854 CV     1
 ASSI {  104}
   (( segid "    " and resid 4    and name HA  ))
   (( segid "    " and resid 128  and name HG  ))
      6.000     4.500     0.000 peak   104 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.580 ppm2      0.308 CV     1
 ASSI {  106}
   (( segid "    " and resid 4    and name HA  ))
   (( segid "    " and resid 4    and name HB2 ))
      6.000     4.500     0.000 peak   106 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.570 ppm2      2.728 CV     1
 ASSI {  107}
   (( segid "    " and resid 4    and name HA  ))
   (( segid "    " and resid 128  and name HB2 ))
      6.000     4.500     0.000 peak   107 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.570 ppm2      2.052 CV     1
 ASSI {  109}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 43   and name HG1 ))
      6.000     4.500     0.000 peak   109 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.169 ppm2      2.188 CV     1
 OR {  109}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 43   and name HG2 ))
 ASSI {  111}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 42   and name HB  ))
      6.000     4.500     0.000 peak   111 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.165 ppm2      4.385 CV     1
 ASSI {  112}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 43   and name HD1 ))
      6.000     4.500     0.000 peak   112 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.164 ppm2      3.834 CV     1
 OR {  112}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 43   and name HD2 ))
 ASSI {  113}
   (( segid "    " and resid 42   and name HA  ))
   (  segid "    " and resid 42   and name HG2%)
      6.000     4.500     0.000 peak   113 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.164 ppm2      1.445 CV     1
 ASSI {  114}
   (( segid "    " and resid 54   and name HA  ))
   (( segid "    " and resid 158  and name HE3 ))
      6.000     4.500     0.000 peak   114 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.495 ppm2      7.425 CV     1
 ASSI {  116}
   (( segid "    " and resid 54   and name HA  ))
   (( segid "    " and resid 41   and name HA  ))
      6.000     4.500     0.000 peak   116 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.496 ppm2      6.090 CV     1
 ASSI {  120}
   (( segid "    " and resid 54   and name HA  ))
   (( segid "    " and resid 54   and name HB2 ))
      6.000     4.500     0.000 peak   120 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.487 ppm2      0.968 CV     1
 ASSI {  121}
   (( segid "    " and resid 54   and name HA  ))
   (( segid "    " and resid 54   and name HB1 ))
      6.000     4.500     0.000 peak   121 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.487 ppm2      0.369 CV     1
 ASSI {  123}
   (( segid "    " and resid 54   and name HA  ))
   (  segid "    " and resid 54   and name HD1%)
      6.000     4.500     0.000 peak   123 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.488 ppm2     -0.630 CV     1
 OR {  123}
   (( segid "    " and resid 54   and name HA  ))
   (  segid "    " and resid 54   and name HD2%)
 ASSI {  125}
   (( segid "    " and resid 41   and name HA  ))
   (( segid "    " and resid 158  and name HE3 ))
      6.000     4.500     0.000 peak   125 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.095 ppm2      7.408 CV     1
 ASSI {  129}
   (( segid "    " and resid 41   and name HA  ))
   (( segid "    " and resid 158  and name HA  ))
      6.000     4.500     0.000 peak   129 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.104 ppm2      3.979 CV     1
 ASSI {  130}
   (( segid "    " and resid 41   and name HA  ))
   (( segid "    " and resid 41   and name HD2 ))
      6.000     4.500     0.000 peak   130 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.099 ppm2      3.181 CV     1
 ASSI {  132}
   (( segid "    " and resid 41   and name HA  ))
   (( segid "    " and resid 41   and name HB2 ))
      6.000     4.500     0.000 peak   132 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.096 ppm2      1.747 CV     1
 OR {  132}
   (( segid "    " and resid 41   and name HA  ))
   (( segid "    " and resid 41   and name HB1 ))
 ASSI {  133}
   (( segid "    " and resid 41   and name HA  ))
   (( segid "    " and resid 41   and name HG2 ))
      6.000     4.500     0.000 peak   133 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.098 ppm2      1.611 CV     1
 ASSI {  134}
   (( segid "    " and resid 41   and name HA  ))
   (( segid "    " and resid 41   and name HG1 ))
      6.000     4.500     0.000 peak   134 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.099 ppm2      1.294 CV     1
 ASSI {  138}
   (( segid "    " and resid 39   and name HA  ))
   (( segid "    " and resid 40   and name HN  ))
      6.000     4.500     0.000 peak   138 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.247 ppm2      9.121 CV     1
 ASSI {  139}
   (( segid "    " and resid 39   and name HA  ))
   (  segid "    " and resid 39   and name HD% )
      6.000     4.500     0.000 peak   139 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.253 ppm2      6.949 CV     1
 ASSI {  140}
   (( segid "    " and resid 39   and name HA  ))
   (( segid "    " and resid 39   and name HB1 ))
      6.000     4.500     0.000 peak   140 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.249 ppm2      3.361 CV     1
 ASSI {  148}
   (( segid "    " and resid 55   and name HA  ))
   (( segid "    " and resid 8    and name HA1 ))
      6.000     4.500     0.000 peak   148 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.224 ppm2      5.752 CV     1
 ASSI {  149}
   (( segid "    " and resid 55   and name HA  ))
   (( segid "    " and resid 8    and name HA2 ))
      6.000     4.500     0.000 peak   149 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.226 ppm2      4.160 CV     1
 ASSI {  150}
   (( segid "    " and resid 55   and name HA  ))
   (( segid "    " and resid 55   and name HB1 ))
      6.000     4.500     0.000 peak   150 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.227 ppm2      3.367 CV     1
 ASSI {  151}
   (( segid "    " and resid 55   and name HA  ))
   (( segid "    " and resid 55   and name HB2 ))
      6.000     4.500     0.000 peak   151 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.230 ppm2      2.230 CV     1
 ASSI {  152}
   (( segid "    " and resid 55   and name HA  ))
   (  segid "    " and resid 56   and name HB% )
      6.000     4.500     0.000 peak   152 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.227 ppm2      1.432 CV     1
 ASSI {  160}
   (( segid "    " and resid 107  and name HA  ))
   (( segid "    " and resid 106  and name HA  ))
      6.000     4.500     0.000 peak   160 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.530 ppm2      4.326 CV     1
 ASSI {  163}
   (( segid "    " and resid 107  and name HA  ))
   (  segid "    " and resid 108  and name HG2%)
      6.000     4.500     0.000 peak   163 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.522 ppm2      1.224 CV     1
 ASSI {  164}
   (( segid "    " and resid 107  and name HA  ))
   (  segid "    " and resid 106  and name HG2%)
      6.000     4.500     0.000 peak   164 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.523 ppm2      0.941 CV     1
 ASSI {  171}
   (( segid "    " and resid 96   and name HA  ))
   (( segid "    " and resid 96   and name HB1 ))
      6.000     4.500     0.000 peak   171 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.380 ppm2      0.971 CV     1
 ASSI {  172}
   (( segid "    " and resid 96   and name HA  ))
   (( segid "    " and resid 96   and name HB2 ))
      6.000     4.500     0.000 peak   172 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.375 ppm2      2.149 CV     1
 ASSI {  178}
   (( segid "    " and resid 97   and name HA  ))
   (( segid "    " and resid 98   and name HB  ))
      6.000     4.500     0.000 peak   178 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.543 ppm2      2.138 CV     1
 ASSI {  181}
   (( segid "    " and resid 97   and name HA  ))
   (( segid "    " and resid 97   and name HB2 ))
      6.000     4.500     0.000 peak   181 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.565 ppm2      2.531 CV     1
 ASSI {  185}
   (( segid "    " and resid 97   and name HA  ))
   (( segid "    " and resid 98   and name HG12))
      6.000     4.500     0.000 peak   185 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.551 ppm2      0.977 CV     1
 ASSI {  187}
   (( segid "    " and resid 97   and name HA  ))
   (( segid "    " and resid 97   and name HB1 ))
      6.000     4.500     0.000 peak   187 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.543 ppm2      2.362 CV     1
 ASSI {  188}
   (( segid "    " and resid 103  and name HA  ))
   (( segid "    " and resid 138  and name HB2 ))
      6.000     4.500     0.000 peak   188 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.185 ppm2      1.821 CV     1
 ASSI {  192}
   (( segid "    " and resid 103  and name HA  ))
   (( segid "    " and resid 103  and name HN  ))
      6.000     4.500     0.000 peak   192 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.189 ppm2      9.260 CV     1
 ASSI {  195}
   (( segid "    " and resid 103  and name HA  ))
   (( segid "    " and resid 138  and name HD1 ))
      6.000     4.500     0.000 peak   195 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.189 ppm2      4.028 CV     1
 OR {  195}
   (( segid "    " and resid 103  and name HA  ))
   (( segid "    " and resid 138  and name HD2 ))
 ASSI {  196}
   (( segid "    " and resid 103  and name HA  ))
   (( segid "    " and resid 103  and name HB1 ))
      6.000     4.500     0.000 peak   196 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.187 ppm2      2.674 CV     1
 ASSI {  198}
   (( segid "    " and resid 103  and name HA  ))
   (( segid "    " and resid 138  and name HG1 ))
      6.000     4.500     0.000 peak   198 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.190 ppm2      1.994 CV     1
 OR {  198}
   (( segid "    " and resid 103  and name HA  ))
   (( segid "    " and resid 138  and name HG2 ))
 ASSI {  199}
   (( segid "    " and resid 103  and name HA  ))
   (( segid "    " and resid 103  and name HB2 ))
      6.000     4.500     0.000 peak   199 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.180 ppm2      3.006 CV     1
 ASSI {  202}
   (( segid "    " and resid 117  and name HA  ))
   (( segid "    " and resid 117  and name HB2 ))
      6.000     4.500     0.000 peak   202 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.085 ppm2      1.532 CV     1
 ASSI {  203}
   (( segid "    " and resid 117  and name HA  ))
   (( segid "    " and resid 117  and name HB1 ))
      6.000     4.500     0.000 peak   203 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.086 ppm2      0.877 CV     1
 ASSI {  205}
   (( segid "    " and resid 6    and name HA  ))
   (( segid "    " and resid 57   and name HA  ))
      6.000     4.500     0.000 peak   205 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.053 ppm2      5.658 CV     1
 ASSI {  207}
   (( segid "    " and resid 6    and name HA  ))
   (  segid "    " and resid 6    and name HB% )
      6.000     4.500     0.000 peak   207 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.046 ppm2      1.781 CV     1
 ASSI {  208}
   (( segid "    " and resid 6    and name HA  ))
   (  segid "    " and resid 57   and name HB% )
      6.000     4.500     0.000 peak   208 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.038 ppm2      1.377 CV     1
 ASSI {  215}
   (( segid "    " and resid 57   and name HA  ))
   (  segid "    " and resid 57   and name HB% )
      6.000     4.500     0.000 peak   215 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.679 ppm2      1.364 CV     1
 ASSI {  216}
   (( segid "    " and resid 57   and name HA  ))
   (  segid "    " and resid 58   and name HG1%)
      6.000     4.500     0.000 peak   216 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.682 ppm2      1.003 CV     1
 OR {  216}
   (( segid "    " and resid 57   and name HA  ))
   (  segid "    " and resid 58   and name HG2%)
 ASSI {  217}
   (( segid "    " and resid 57   and name HA  ))
   (  segid "    " and resid 131  and name HG2%)
      6.000     4.500     0.000 peak   217 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.681 ppm2      0.854 CV     1
 ASSI {  220}
   (( segid "    " and resid 57   and name HA  ))
   (  segid "    " and resid 7    and name HD1%)
      6.000     4.500     0.000 peak   220 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.671 ppm2      0.701 CV     1
 ASSI {  222}
   (( segid "    " and resid 8    and name HA1 ))
   (( segid "    " and resid 95   and name HN  ))
      6.000     4.500     0.000 peak   222 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.757 ppm2      9.226 CV     1
 ASSI {  228}
   (( segid "    " and resid 8    and name HA1 ))
   (( segid "    " and resid 8    and name HA2 ))
      6.000     4.500     0.000 peak   228 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.758 ppm2      4.167 CV     1
 ASSI {  246}
   (( segid "    " and resid 35   and name HB  ))
   (( segid "    " and resid 59   and name HN  ))
      6.000     4.500     0.000 peak   246 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.121 ppm2      8.537 CV     1
 ASSI {  250}
   (( segid "    " and resid 149  and name HB  ))
   (( segid "    " and resid 150  and name HN  ))
      6.000     4.500     0.000 peak   250 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.198 ppm2      7.851 CV     1
 ASSI {  252}
   (( segid "    " and resid 1    and name HB  ))
   (( segid "    " and resid 2    and name HN  ))
      6.000     4.500     0.000 peak   252 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.557 ppm2      8.764 CV     1
 ASSI {  260}
   (( segid "    " and resid 93   and name HB  ))
   (( segid "    " and resid 93   and name HN  ))
      6.000     4.500     0.000 peak   260 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.112 ppm2      8.753 CV     1
 ASSI {  266}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 23   and name HN  ))
      6.000     4.500     0.000 peak   266 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.432 ppm2      7.423 CV     1
 ASSI {  267}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 18   and name HN  ))
      6.000     4.500     0.000 peak   267 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.437 ppm2      8.733 CV     1
 ASSI {  280}
   (( segid "    " and resid 66   and name HA  ))
   (  segid "    " and resid 101  and name HD% )
      6.000     4.500     0.000 peak   280 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.354 ppm2      7.034 CV     1
 ASSI {  281}
   (( segid "    " and resid 127  and name HA  ))
   (( segid "    " and resid 126  and name HD1 ))
      6.000     4.500     0.000 peak   281 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.547 ppm2      6.728 CV     1
 ASSI {  282}
   (( segid "    " and resid 138  and name HA  ))
   (( segid "    " and resid 139  and name HN  ))
      6.000     4.500     0.000 peak   282 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.507 ppm2      7.536 CV     1
 ASSI {  283}
   (( segid "    " and resid 37   and name HB2 ))
   (  segid "    " and resid 40   and name HD% )
      6.000     4.500     0.000 peak   283 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.094 ppm2      7.039 CV     1
 ASSI {  288}
   (( segid "    " and resid 9    and name HB1 ))
   (( segid "    " and resid 9    and name HN  ))
      6.000     4.500     0.000 peak   288 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.882 ppm2      7.978 CV     1
 ASSI {  294}
   (( segid "    " and resid 138  and name HA  ))
   (( segid "    " and resid 140  and name HN  ))
      6.000     4.500     0.000 peak   294 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.500 ppm2      8.374 CV     1
 ASSI {  297}
   (( segid "    " and resid 146  and name HA  ))
   (( segid "    " and resid 145  and name HE21))
      6.000     4.500     0.000 peak   297 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.649 ppm2      7.584 CV     1
 ASSI {  300}
   (( segid "    " and resid 146  and name HA  ))
   (( segid "    " and resid 147  and name HN  ))
      6.000     4.500     0.000 peak   300 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.658 ppm2      7.439 CV     1
 ASSI {  306}
   (( segid "    " and resid 149  and name HA  ))
   (( segid "    " and resid 150  and name HN  ))
      6.000     4.500     0.000 peak   306 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.023 ppm2      7.850 CV     1
 ASSI {  312}
   (( segid "    " and resid 63   and name HB2 ))
   (( segid "    " and resid 62   and name HA  ))
      6.000     4.500     0.000 peak   312 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.098 ppm2      5.519 CV     1
 OR {  312}
   (( segid "    " and resid 63   and name HB1 ))
   (( segid "    " and resid 62   and name HA  ))
 ASSI {  320}
   (( segid "    " and resid 93   and name HA  ))
   (( segid "    " and resid 10   and name HN  ))
      6.000     4.500     0.000 peak   320 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.016 ppm2      8.476 CV     1
 ASSI {  322}
   (( segid "    " and resid 93   and name HA  ))
   (( segid "    " and resid 94   and name HN  ))
      6.000     4.500     0.000 peak   322 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.019 ppm2      6.375 CV     1
 ASSI {  327}
   (( segid "    " and resid 44   and name HA  ))
   (( segid "    " and resid 50   and name HE22))
      6.000     4.500     0.000 peak   327 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.215 ppm2      7.107 CV     1
 ASSI {  328}
   (( segid "    " and resid 44   and name HA  ))
   (  segid "    " and resid 53   and name HD% )
      6.000     4.500     0.000 peak   328 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.208 ppm2      6.568 CV     1
 ASSI {  330}
   (( segid "    " and resid 98   and name HA  ))
   (( segid "    " and resid 100  and name HN  ))
      6.000     4.500     0.000 peak   330 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.180 ppm2      7.519 CV     1
 ASSI {  331}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 34   and name HN  ))
      6.000     4.500     0.000 peak   331 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.897 ppm2      9.181 CV     1
 ASSI {  332}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 61   and name HN  ))
      6.000     4.500     0.000 peak   332 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.901 ppm2      8.807 CV     1
 ASSI {  333}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 35   and name HN  ))
      6.000     4.500     0.000 peak   333 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.898 ppm2      7.338 CV     1
 ASSI {  336}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 52   and name HN  ))
      6.000     4.500     0.000 peak   336 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.452 ppm2      8.043 CV     1
 ASSI {  342}
   (( segid "    " and resid 158  and name HA  ))
   (( segid "    " and resid 158  and name HE3 ))
      6.000     4.500     0.000 peak   342 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.970 ppm2      7.401 CV     1
 ASSI {  343}
   (( segid "    " and resid 38   and name HB1 ))
   (( segid "    " and resid 38   and name HN  ))
      6.000     4.500     0.000 peak   343 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.741 ppm2      9.334 CV     1
 ASSI {  346}
   (( segid "    " and resid 38   and name HB2 ))
   (( segid "    " and resid 39   and name HN  ))
      6.000     4.500     0.000 peak   346 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.536 ppm2      8.673 CV     1
 ASSI {  351}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 73   and name HN  ))
      6.000     4.500     0.000 peak   351 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.398 ppm2      9.338 CV     1
 ASSI {  352}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 72   and name HN  ))
      6.000     4.500     0.000 peak   352 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.398 ppm2      7.754 CV     1
 ASSI {  353}
   (( segid "    " and resid 83   and name HA  ))
   (( segid "    " and resid 84   and name HN  ))
      6.000     4.500     0.000 peak   353 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.276 ppm2      8.811 CV     1
 ASSI {  354}
   (( segid "    " and resid 83   and name HA  ))
   (( segid "    " and resid 83   and name HN  ))
      6.000     4.500     0.000 peak   354 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.273 ppm2      8.230 CV     1
 ASSI {  356}
   (( segid "    " and resid 13   and name HB2 ))
   (( segid "    " and resid 13   and name HN  ))
      6.000     4.500     0.000 peak   356 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.156 ppm2      8.710 CV     1
 ASSI {  357}
   (( segid "    " and resid 13   and name HB2 ))
   (( segid "    " and resid 16   and name HN  ))
      6.000     4.500     0.000 peak   357 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.158 ppm2      7.275 CV     1
 ASSI {  367}
   (( segid "    " and resid 106  and name HA  ))
   (( segid "    " and resid 106  and name HN  ))
      6.000     4.500     0.000 peak   367 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.317 ppm2      9.394 CV     1
 ASSI {  372}
   (( segid "    " and resid 116  and name HA  ))
   (  segid "    " and resid 116  and name HD% )
      6.000     4.500     0.000 peak   372 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.198 ppm2      6.657 CV     1
 ASSI {  373}
   (( segid "    " and resid 118  and name HA  ))
   (( segid "    " and resid 119  and name HN  ))
      6.000     4.500     0.000 peak   373 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.868 ppm2      8.103 CV     1
 ASSI {  375}
   (( segid "    " and resid 118  and name HA  ))
   (( segid "    " and resid 118  and name HN  ))
      6.000     4.500     0.000 peak   375 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.868 ppm2      7.558 CV     1
 ASSI {  377}
   (( segid "    " and resid 129  and name HA  ))
   (( segid "    " and resid 129  and name HN  ))
      6.000     4.500     0.000 peak   377 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.859 ppm2      8.669 CV     1
 ASSI {  379}
   (( segid "    " and resid 129  and name HA  ))
   (  segid "    " and resid 129  and name HD% )
      6.000     4.500     0.000 peak   379 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.862 ppm2      7.201 CV     1
 ASSI {  380}
   (( segid "    " and resid 118  and name HA  ))
   (( segid "    " and resid 121  and name HN  ))
      6.000     4.500     0.000 peak   380 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.863 ppm2      7.015 CV     1
 ASSI {  381}
   (( segid "    " and resid 129  and name HA  ))
   (( segid "    " and resid 130  and name HN  ))
      6.000     4.500     0.000 peak   381 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.851 ppm2      7.754 CV     1
 ASSI {  382}
   (( segid "    " and resid 38   and name HA  ))
   (( segid "    " and resid 39   and name HN  ))
      6.000     4.500     0.000 peak   382 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.282 ppm2      8.670 CV     1
 ASSI {  387}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 75   and name HN  ))
      6.000     4.500     0.000 peak   387 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.143 ppm2      7.718 CV     1
 ASSI {  389}
   (( segid "    " and resid 109  and name HA  ))
   (( segid "    " and resid 111  and name HN  ))
      6.000     4.500     0.000 peak   389 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.039 ppm2      7.650 CV     1
 ASSI {  390}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 24   and name HN  ))
      6.000     4.500     0.000 peak   390 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.027 ppm2      7.943 CV     1
 ASSI {  392}
   (( segid "    " and resid 67   and name HA  ))
   (( segid "    " and resid 67   and name HN  ))
      6.000     4.500     0.000 peak   392 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.657 ppm2      8.726 CV     1
 ASSI {  393}
   (( segid "    " and resid 67   and name HA  ))
   (( segid "    " and resid 69   and name HN  ))
      6.000     4.500     0.000 peak   393 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.652 ppm2      8.214 CV     1
 ASSI {  394}
   (( segid "    " and resid 67   and name HA  ))
   (( segid "    " and resid 68   and name HN  ))
      6.000     4.500     0.000 peak   394 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.657 ppm2      6.886 CV     1
 ASSI {  398}
   (( segid "    " and resid 144  and name HA  ))
   (  segid "    " and resid 129  and name HD% )
      6.000     4.500     0.000 peak   398 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.527 ppm2      7.207 CV     1
 ASSI {  402}
   (( segid "    " and resid 37   and name HA  ))
   (( segid "    " and resid 57   and name HN  ))
      6.000     4.500     0.000 peak   402 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.280 ppm2      9.514 CV     1
 ASSI {  409}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 16   and name HN  ))
      6.000     4.500     0.000 peak   409 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.107 ppm2      7.282 CV     1
 ASSI {  411}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 23   and name HN  ))
      6.000     4.500     0.000 peak   411 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.012 ppm2      7.428 CV     1
 ASSI {  420}
   (( segid "    " and resid 130  and name HA  ))
   (( segid "    " and resid 130  and name HN  ))
      6.000     4.500     0.000 peak   420 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.893 ppm2      7.751 CV     1
 ASSI {  421}
   (( segid "    " and resid 130  and name HA  ))
   (( segid "    " and resid 131  and name HN  ))
      6.000     4.500     0.000 peak   421 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.899 ppm2      6.938 CV     1
 ASSI {  422}
   (( segid "    " and resid 130  and name HA  ))
   (  segid "    " and resid 129  and name HD% )
      6.000     4.500     0.000 peak   422 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.888 ppm2      7.200 CV     1
 ASSI {  425}
   (( segid "    " and resid 148  and name HA  ))
   (( segid "    " and resid 148  and name HD2 ))
      6.000     4.500     0.000 peak   425 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.432 ppm2      6.998 CV     1
 ASSI {  426}
   (( segid "    " and resid 137  and name HA  ))
   (  segid "    " and resid 137  and name HD% )
      6.000     4.500     0.000 peak   426 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.313 ppm2      7.334 CV     1
 ASSI {  429}
   (( segid "    " and resid 69   and name HA  ))
   (( segid "    " and resid 72   and name HD2 ))
      6.000     4.500     0.000 peak   429 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.201 ppm2      7.237 CV     1
 ASSI {  431}
   (( segid "    " and resid 123  and name HA  ))
   (( segid "    " and resid 125  and name HN  ))
      6.000     4.500     0.000 peak   431 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.370 ppm2      7.606 CV     1
 ASSI {  441}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 10   and name HN  ))
      6.000     4.500     0.000 peak   441 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.155 ppm2      8.471 CV     1
 ASSI {  442}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 11   and name HN  ))
      6.000     4.500     0.000 peak   442 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.161 ppm2      6.993 CV     1
 ASSI {  444}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 25   and name HN  ))
      6.000     4.500     0.000 peak   444 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.974 ppm2      9.338 CV     1
 ASSI {  448}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 54   and name HN  ))
      6.000     4.500     0.000 peak   448 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.350 ppm2      8.567 CV     1
 ASSI {  449}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 71   and name HD21))
      6.000     4.500     0.000 peak   449 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.350 ppm2      7.449 CV     1
 ASSI {  450}
   (( segid "    " and resid 53   and name HA  ))
   (  segid "    " and resid 53   and name HD% )
      6.000     4.500     0.000 peak   450 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.357 ppm2      6.540 CV     1
 ASSI {  458}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 17   and name HE21))
      6.000     4.500     0.000 peak   458 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.999 ppm2      7.717 CV     1
 ASSI {  461}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 80   and name HE21))
      6.000     4.500     0.000 peak   461 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.994 ppm2      7.892 CV     1
 ASSI {  463}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 18   and name HN  ))
      6.000     4.500     0.000 peak   463 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.427 ppm2      8.727 CV     1
 ASSI {  466}
   (( segid "    " and resid 101  and name HA  ))
   (( segid "    " and resid 102  and name HN  ))
      6.000     4.500     0.000 peak   466 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.561 ppm2      8.410 CV     1
 ASSI {  471}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 16   and name HN  ))
      6.000     4.500     0.000 peak   471 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.990 ppm2      7.265 CV     1
 ASSI {  472}
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 25   and name HN  ))
      6.000     4.500     0.000 peak   472 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.897 ppm2      9.339 CV     1
 ASSI {  473}
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 26   and name HN  ))
      6.000     4.500     0.000 peak   473 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.899 ppm2      7.490 CV     1
 ASSI {  476}
   (( segid "    " and resid 125  and name HA  ))
   (( segid "    " and resid 125  and name HN  ))
      6.000     4.500     0.000 peak   476 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.814 ppm2      7.608 CV     1
 ASSI {  477}
   (( segid "    " and resid 147  and name HA  ))
   (( segid "    " and resid 148  and name HN  ))
      6.000     4.500     0.000 peak   477 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.671 ppm2      7.571 CV     1
 ASSI {  478}
   (( segid "    " and resid 147  and name HA  ))
   (( segid "    " and resid 150  and name HN  ))
      6.000     4.500     0.000 peak   478 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.666 ppm2      7.852 CV     1
 ASSI {  479}
   (( segid "    " and resid 147  and name HA  ))
   (( segid "    " and resid 147  and name HN  ))
      6.000     4.500     0.000 peak   479 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.664 ppm2      7.434 CV     1
 ASSI {  481}
   (( segid "    " and resid 147  and name HA  ))
   (  segid "    " and resid 152  and name HD% )
      6.000     4.500     0.000 peak   481 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.667 ppm2      7.050 CV     1
 ASSI {  483}
   (( segid "    " and resid 141  and name HA  ))
   (( segid "    " and resid 141  and name HN  ))
      6.000     4.500     0.000 peak   483 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.296 ppm2      8.002 CV     1
 ASSI {  502}
   (( segid "    " and resid 157  and name HA  ))
   (  segid "    " and resid 40   and name HD% )
      6.000     4.500     0.000 peak   502 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.498 ppm2      7.052 CV     1
 ASSI {  510}
   (( segid "    " and resid 87   and name HA  ))
   (( segid "    " and resid 87   and name HN  ))
      6.000     4.500     0.000 peak   510 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.195 ppm2      8.360 CV     1
 ASSI {  512}
   (( segid "    " and resid 154  and name HA  ))
   (( segid "    " and resid 126  and name HD1 ))
      6.000     4.500     0.000 peak   512 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.980 ppm2      6.732 CV     1
 ASSI {  516}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 71   and name HD21))
      6.000     4.500     0.000 peak   516 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.331 ppm2      7.449 CV     1
 ASSI {  520}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 48   and name HE21))
      6.000     4.500     0.000 peak   520 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.319 ppm2      7.043 CV     1
 ASSI {  525}
   (( segid "    " and resid 150  and name HA  ))
   (( segid "    " and resid 150  and name HN  ))
      6.000     4.500     0.000 peak   525 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.030 ppm2      7.840 CV     1
 ASSI {  526}
   (( segid "    " and resid 150  and name HA  ))
   (( segid "    " and resid 151  and name HN  ))
      6.000     4.500     0.000 peak   526 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.029 ppm2      7.522 CV     1
 ASSI {  527}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 25   and name HN  ))
      6.000     4.500     0.000 peak   527 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.211 ppm2      9.348 CV     1
 ASSI {  528}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 24   and name HN  ))
      6.000     4.500     0.000 peak   528 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.211 ppm2      7.925 CV     1
 ASSI {  530}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 20   and name HN  ))
      6.000     4.500     0.000 peak   530 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.161 ppm2      8.143 CV     1
 ASSI {  531}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 23   and name HN  ))
      6.000     4.500     0.000 peak   531 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.161 ppm2      7.427 CV     1
 ASSI {  534}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 25   and name HN  ))
      6.000     4.500     0.000 peak   534 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.125 ppm2      9.340 CV     1
 ASSI {  535}
   (( segid "    " and resid 153  and name HA  ))
   (( segid "    " and resid 153  and name HN  ))
      6.000     4.500     0.000 peak   535 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.575 ppm2      8.733 CV     1
 ASSI {  538}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 64   and name HN  ))
      6.000     4.500     0.000 peak   538 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.244 ppm2      8.549 CV     1
 ASSI {  539}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 65   and name HN  ))
      6.000     4.500     0.000 peak   539 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.248 ppm2      8.396 CV     1
 ASSI {  541}
   (( segid "    " and resid 139  and name HA  ))
   (( segid "    " and resid 140  and name HN  ))
      6.000     4.500     0.000 peak   541 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.513 ppm2      8.357 CV     1
 ASSI {  542}
   (( segid "    " and resid 139  and name HA  ))
   (( segid "    " and resid 139  and name HN  ))
      6.000     4.500     0.000 peak   542 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.513 ppm2      7.511 CV     1
 ASSI {  554}
   (( segid "    " and resid 151  and name HA  ))
   (( segid "    " and resid 151  and name HN  ))
      6.000     4.500     0.000 peak   554 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.090 ppm2      7.525 CV     1
 ASSI {  555}
   (( segid "    " and resid 151  and name HA  ))
   (( segid "    " and resid 150  and name HN  ))
      6.000     4.500     0.000 peak   555 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.085 ppm2      7.842 CV     1
 ASSI {  561}
   (( segid "    " and resid 138  and name HD2 ))
   (  segid "    " and resid 137  and name HD% )
      6.000     4.500     0.000 peak   561 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.028 ppm2      7.337 CV     1
 OR {  561}
   (( segid "    " and resid 138  and name HD1 ))
   (  segid "    " and resid 137  and name HD% )
 ASSI {  563}
   (( segid "    " and resid 44   and name HD2 ))
   (  segid "    " and resid 53   and name HD% )
      6.000     4.500     0.000 peak   563 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.857 ppm2      6.521 CV     1
 ASSI {  568}
   (( segid "    " and resid 29   and name HD1 ))
   (( segid "    " and resid 28   and name HN  ))
      6.000     4.500     0.000 peak   568 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.666 ppm2      7.173 CV     1
 ASSI {  575}
   (( segid "    " and resid 127  and name HD2 ))
   (( segid "    " and resid 126  and name HN  ))
      6.000     4.500     0.000 peak   575 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.225 ppm2      8.702 CV     1
 ASSI {  576}
   (( segid "    " and resid 127  and name HD2 ))
   (( segid "    " and resid 128  and name HN  ))
      6.000     4.500     0.000 peak   576 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.227 ppm2      6.572 CV     1
 ASSI {  587}
   (( segid "    " and resid 133  and name HD1 ))
   (( segid "    " and resid 130  and name HN  ))
      6.000     4.500     0.000 peak   587 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.426 ppm2      7.720 CV     1
 ASSI {  588}
   (( segid "    " and resid 133  and name HD1 ))
   (( segid "    " and resid 135  and name HN  ))
      6.000     4.500     0.000 peak   588 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.429 ppm2      7.238 CV     1
 ASSI {  589}
   (( segid "    " and resid 66   and name HD1 ))
   (( segid "    " and resid 67   and name HN  ))
      6.000     4.500     0.000 peak   589 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.422 ppm2      8.723 CV     1
 ASSI {  590}
   (( segid "    " and resid 100  and name HB2 ))
   (  segid "    " and resid 4    and name HD% )
      6.000     4.500     0.000 peak   590 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.998 ppm2      6.841 CV     1
 ASSI {  592}
   (( segid "    " and resid 100  and name HB1 ))
   (  segid "    " and resid 4    and name HD% )
      6.000     4.500     0.000 peak   592 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.807 ppm2      6.835 CV     1
 ASSI {  595}
   (( segid "    " and resid 11   and name HB2 ))
   (( segid "    " and resid 11   and name HN  ))
      6.000     4.500     0.000 peak   595 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.254 ppm2      6.988 CV     1
 ASSI {  596}
   (( segid "    " and resid 11   and name HB2 ))
   (( segid "    " and resid 12   and name HN  ))
      6.000     4.500     0.000 peak   596 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.247 ppm2      8.151 CV     1
 ASSI {  599}
   (( segid "    " and resid 122  and name HA1 ))
   (  segid "    " and resid 152  and name HD% )
      6.000     4.500     0.000 peak   599 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.178 ppm2      7.050 CV     1
 ASSI {  600}
   (( segid "    " and resid 122  and name HA1 ))
   (( segid "    " and resid 123  and name HN  ))
      6.000     4.500     0.000 peak   600 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.147 ppm2      6.948 CV     1
 ASSI {  601}
   (( segid "    " and resid 122  and name HA1 ))
   (( segid "    " and resid 126  and name HD1 ))
      6.000     6.000     0.000 peak   601 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.151 ppm2      6.712 CV     1
 ASSI {  602}
   (( segid "    " and resid 102  and name HA1 ))
   (( segid "    " and resid 103  and name HN  ))
      6.000     4.500     0.000 peak   602 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.889 ppm2      9.257 CV     1
 OR {  602}
   (( segid "    " and resid 102  and name HA2 ))
   (( segid "    " and resid 103  and name HN  ))
 ASSI {  604}
   (( segid "    " and resid 102  and name HA2 ))
   (( segid "    " and resid 102  and name HN  ))
      6.000     4.500     0.000 peak   604 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.886 ppm2      8.411 CV     1
 OR {  604}
   (( segid "    " and resid 102  and name HA1 ))
   (( segid "    " and resid 102  and name HN  ))
 ASSI {  605}
   (( segid "    " and resid 122  and name HA2 ))
   (( segid "    " and resid 123  and name HN  ))
      6.000     4.500     0.000 peak   605 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.880 ppm2      6.954 CV     1
 ASSI {  607}
   (( segid "    " and resid 122  and name HA2 ))
   (( segid "    " and resid 122  and name HN  ))
      6.000     4.500     0.000 peak   607 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.874 ppm2      9.425 CV     1
 ASSI {  608}
   (( segid "    " and resid 122  and name HA2 ))
   (( segid "    " and resid 126  and name HN  ))
      6.000     4.500     0.000 peak   608 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.876 ppm2      8.714 CV     1
 ASSI {  609}
   (( segid "    " and resid 122  and name HA2 ))
   (  segid "    " and resid 152  and name HD% )
      6.000     4.500     0.000 peak   609 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.869 ppm2      7.046 CV     1
 ASSI {  612}
   (( segid "    " and resid 60   and name HB2 ))
   (( segid "    " and resid 60   and name HN  ))
      6.000     4.500     0.000 peak   612 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.032 ppm2      9.319 CV     1
 ASSI {  614}
   (( segid "    " and resid 81   and name HA2 ))
   (( segid "    " and resid 82   and name HN  ))
      6.000     4.500     0.000 peak   614 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.122 ppm2      8.210 CV     1
 ASSI {  617}
   (( segid "    " and resid 55   and name HB2 ))
   (( segid "    " and resid 55   and name HD21))
      6.000     4.500     0.000 peak   617 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.240 ppm2      8.013 CV     1
 ASSI {  618}
   (( segid "    " and resid 26   and name HA2 ))
   (( segid "    " and resid 27   and name HN  ))
      6.000     4.500     0.000 peak   618 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.986 ppm2      7.337 CV     1
 ASSI {  624}
   (( segid "    " and resid 26   and name HA1 ))
   (( segid "    " and resid 28   and name HN  ))
      6.000     4.500     0.000 peak   624 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.874 ppm2      7.174 CV     1
 ASSI {  626}
   (( segid "    " and resid 55   and name HB1 ))
   (( segid "    " and resid 55   and name HD21))
      6.000     4.500     0.000 peak   626 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.360 ppm2      8.015 CV     1
 ASSI {  636}
   (( segid "    " and resid 94   and name HB1 ))
   (( segid "    " and resid 94   and name HN  ))
      6.000     4.500     0.000 peak   636 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.528 ppm2      6.371 CV     1
 OR {  636}
   (( segid "    " and resid 94   and name HB2 ))
   (( segid "    " and resid 94   and name HN  ))
 ASSI {  638}
   (( segid "    " and resid 140  and name HA2 ))
   (( segid "    " and resid 141  and name HN  ))
      6.000     4.500     0.000 peak   638 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.408 ppm2      8.001 CV     1
 ASSI {  643}
   (( segid "    " and resid 8    and name HA2 ))
   (( segid "    " and resid 9    and name HN  ))
      6.000     4.500     0.000 peak   643 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.164 ppm2      7.999 CV     1
 ASSI {  645}
   (( segid "    " and resid 140  and name HA1 ))
   (( segid "    " and resid 141  and name HN  ))
      6.000     4.500     0.000 peak   645 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.533 ppm2      7.995 CV     1
 ASSI {  647}
   (( segid "    " and resid 95   and name HB1 ))
   (( segid "    " and resid 95   and name HN  ))
      6.000     4.500     0.000 peak   647 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.263 ppm2      9.211 CV     1
 ASSI {  652}
   (( segid "    " and resid 90   and name HA1 ))
   (( segid "    " and resid 50   and name HE22))
      6.000     4.500     0.000 peak   652 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.936 ppm2      7.106 CV     1
 ASSI {  659}
   (( segid "    " and resid 117  and name HB2 ))
   (( segid "    " and resid 117  and name HN  ))
      6.000     4.500     0.000 peak   659 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.525 ppm2      8.021 CV     1
 ASSI {  661}
   (( segid "    " and resid 117  and name HB2 ))
   (( segid "    " and resid 120  and name HD22))
      6.000     4.500     0.000 peak   661 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.521 ppm2      6.898 CV     1
 ASSI {  665}
   (( segid "    " and resid 117  and name HB1 ))
   (  segid "    " and resid 116  and name HD% )
      6.000     4.500     0.000 peak   665 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.886 ppm2      6.659 CV     1
 ASSI {  668}
   (( segid "    " and resid 46   and name HA2 ))
   (( segid "    " and resid 89   and name HE3 ))
      6.000     4.500     0.000 peak   668 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.676 ppm2      7.608 CV     1
 ASSI {  671}
   (( segid "    " and resid 34   and name HB1 ))
   (( segid "    " and resid 35   and name HN  ))
      6.000     4.500     0.000 peak   671 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.679 ppm2      7.335 CV     1
 ASSI {  672}
   (( segid "    " and resid 34   and name HB1 ))
   (( segid "    " and resid 34   and name HN  ))
      6.000     4.500     0.000 peak   672 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.674 ppm2      9.182 CV     1
 ASSI {  673}
   (( segid "    " and resid 34   and name HB2 ))
   (( segid "    " and resid 34   and name HN  ))
      6.000     4.500     0.000 peak   673 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.552 ppm2      9.185 CV     1
 ASSI {  677}
   (( segid "    " and resid 155  and name HB2 ))
   (( segid "    " and resid 155  and name HN  ))
      6.000     4.500     0.000 peak   677 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.443 ppm2      7.700 CV     1
 OR {  677}
   (( segid "    " and resid 155  and name HB1 ))
   (( segid "    " and resid 155  and name HN  ))
 ASSI {  682}
   (( segid "    " and resid 125  and name HB1 ))
   (( segid "    " and resid 125  and name HN  ))
      6.000     4.500     0.000 peak   682 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.067 ppm2      7.630 CV     1
 ASSI {  683}
   (( segid "    " and resid 41   and name HD2 ))
   (( segid "    " and resid 41   and name HN  ))
      6.000     4.500     0.000 peak   683 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.193 ppm2      8.848 CV     1
 ASSI {  684}
   (( segid "    " and resid 75   and name HD2 ))
   (( segid "    " and resid 75   and name HN  ))
      6.000     4.500     0.000 peak   684 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.194 ppm2      7.704 CV     1
 ASSI {  689}
   (( segid "    " and resid 41   and name HD1 ))
   (( segid "    " and resid 41   and name HA  ))
      6.000     4.500     0.000 peak   689 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.840 ppm2      6.088 CV     1
 ASSI {  691}
   (( segid "    " and resid 64   and name HB1 ))
   (( segid "    " and resid 65   and name HN  ))
      6.000     4.500     0.000 peak   691 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.497 ppm2      8.386 CV     1
 ASSI {  696}
   (( segid "    " and resid 41   and name HD2 ))
   (( segid "    " and resid 156  and name HD21))
      6.000     4.500     0.000 peak   696 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.179 ppm2      7.116 CV     1
 ASSI {  697}
   (( segid "    " and resid 25   and name HB1 ))
   (( segid "    " and resid 26   and name HN  ))
      6.000     4.500     0.000 peak   697 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.138 ppm2      7.502 CV     1
 ASSI {  698}
   (( segid "    " and resid 25   and name HB1 ))
   (( segid "    " and resid 25   and name HN  ))
      6.000     4.500     0.000 peak   698 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.132 ppm2      9.340 CV     1
 ASSI {  702}
   (( segid "    " and resid 25   and name HB2 ))
   (( segid "    " and resid 25   and name HN  ))
      6.000     4.500     0.000 peak   702 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.201 ppm2      9.335 CV     1
 ASSI {  712}
   (( segid "    " and resid 150  and name HD1 ))
   (( segid "    " and resid 150  and name HN  ))
      6.000     4.500     0.000 peak   712 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.115 ppm2      7.852 CV     1
 ASSI {  714}
   (( segid "    " and resid 150  and name HD1 ))
   (( segid "    " and resid 121  and name HN  ))
      6.000     4.500     0.000 peak   714 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.117 ppm2      6.985 CV     1
 ASSI {  719}
   (( segid "    " and resid 143  and name HB2 ))
   (( segid "    " and resid 144  and name HN  ))
      6.000     4.500     0.000 peak   719 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.213 ppm2      9.599 CV     1
 ASSI {  720}
   (( segid "    " and resid 128  and name HB2 ))
   (( segid "    " and resid 128  and name HN  ))
      6.000     4.500     0.000 peak   720 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.039 ppm2      6.569 CV     1
 ASSI {  723}
   (( segid "    " and resid 45   and name HB1 ))
   (( segid "    " and resid 50   and name HE22))
      6.000     4.500     0.000 peak   723 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.613 ppm2      7.109 CV     1
 OR {  723}
   (( segid "    " and resid 45   and name HB2 ))
   (( segid "    " and resid 50   and name HE22))
 ASSI {  726}
   (( segid "    " and resid 135  and name HB1 ))
   (( segid "    " and resid 143  and name HN  ))
      6.000     4.500     0.000 peak   726 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.326 ppm2      8.425 CV     1
 ASSI {  729}
   (( segid "    " and resid 128  and name HB1 ))
   (( segid "    " and resid 129  and name HN  ))
      6.000     4.500     0.000 peak   729 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.231 ppm2      8.690 CV     1
 ASSI {  732}
   (( segid "    " and resid 27   and name HB2 ))
   (( segid "    " and resid 26   and name HN  ))
      6.000     4.500     0.000 peak   732 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.941 ppm2      7.500 CV     1
 ASSI {  744}
   (( segid "    " and resid 78   and name HB2 ))
   (( segid "    " and resid 79   and name HN  ))
      6.000     4.500     0.000 peak   744 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.959 ppm2      8.793 CV     1
 ASSI {  745}
   (( segid "    " and resid 78   and name HB2 ))
   (( segid "    " and resid 78   and name HN  ))
      6.000     4.500     0.000 peak   745 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.957 ppm2      7.993 CV     1
 ASSI {  746}
   (( segid "    " and resid 78   and name HB1 ))
   (( segid "    " and resid 79   and name HN  ))
      6.000     4.500     0.000 peak   746 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.794 ppm2      8.796 CV     1
 ASSI {  747}
   (( segid "    " and resid 78   and name HB1 ))
   (( segid "    " and resid 78   and name HN  ))
      6.000     4.500     0.000 peak   747 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.788 ppm2      7.990 CV     1
 ASSI {  751}
   (( segid "    " and resid 22   and name HB1 ))
   (( segid "    " and resid 23   and name HN  ))
      6.000     4.500     0.000 peak   751 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.072 ppm2      7.425 CV     1
 ASSI {  752}
   (( segid "    " and resid 22   and name HB1 ))
   (( segid "    " and resid 22   and name HN  ))
      6.000     4.500     0.000 peak   752 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.065 ppm2      8.512 CV     1
 ASSI {  755}
   (( segid "    " and resid 5    and name HB  ))
   (( segid "    " and resid 58   and name HN  ))
      6.000     4.500     0.000 peak   755 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.777 ppm2      9.079 CV     1
 ASSI {  756}
   (( segid "    " and resid 22   and name HB2 ))
   (( segid "    " and resid 22   and name HN  ))
      6.000     4.500     0.000 peak   756 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.467 ppm2      8.515 CV     1
 ASSI {  757}
   (( segid "    " and resid 22   and name HB2 ))
   (( segid "    " and resid 23   and name HN  ))
      6.000     4.500     0.000 peak   757 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.465 ppm2      7.427 CV     1
 ASSI {  763}
   (( segid "    " and resid 101  and name HB2 ))
   (  segid "    " and resid 101  and name HD% )
      6.000     4.500     0.000 peak   763 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.334 ppm2      7.038 CV     1
 ASSI {  764}
   (( segid "    " and resid 40   and name HB2 ))
   (  segid "    " and resid 40   and name HD% )
      6.000     4.500     0.000 peak   764 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.060 ppm2      7.051 CV     1
 ASSI {  765}
   (( segid "    " and resid 40   and name HB2 ))
   (( segid "    " and resid 40   and name HN  ))
      6.000     4.500     0.000 peak   765 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.048 ppm2      9.120 CV     1
 ASSI {  767}
   (( segid "    " and resid 53   and name HB1 ))
   (  segid "    " and resid 53   and name HD% )
      6.000     4.500     0.000 peak   767 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.900 ppm2      6.558 CV     1
 ASSI {  772}
   (( segid "    " and resid 97   and name HB2 ))
   (( segid "    " and resid 115  and name HD2 ))
      6.000     4.500     0.000 peak   772 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.528 ppm2      6.799 CV     1
 ASSI {  774}
   (( segid "    " and resid 97   and name HB1 ))
   (( segid "    " and resid 97   and name HN  ))
      6.000     4.500     0.000 peak   774 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.374 ppm2      8.997 CV     1
 ASSI {  776}
   (( segid "    " and resid 101  and name HB1 ))
   (  segid "    " and resid 101  and name HD% )
      6.000     4.500     0.000 peak   776 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.325 ppm2      7.032 CV     1
 ASSI {  777}
   (( segid "    " and resid 53   and name HB2 ))
   (  segid "    " and resid 53   and name HD% )
      6.000     4.500     0.000 peak   777 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.257 ppm2      6.556 CV     1
 ASSI {  778}
   (( segid "    " and resid 53   and name HB2 ))
   (( segid "    " and resid 53   and name HN  ))
      6.000     4.500     0.000 peak   778 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.246 ppm2      8.850 CV     1
 ASSI {  781}
   (( segid "    " and resid 40   and name HB2 ))
   (( segid "    " and resid 41   and name HN  ))
      6.000     4.500     0.000 peak   781 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.052 ppm2      8.841 CV     1
 ASSI {  783}
   (( segid "    " and resid 153  and name HB1 ))
   (( segid "    " and resid 153  and name HN  ))
      6.000     4.500     0.000 peak   783 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.766 ppm2      8.739 CV     1
 ASSI {  785}
   (( segid "    " and resid 40   and name HB1 ))
   (  segid "    " and resid 40   and name HD% )
      6.000     4.500     0.000 peak   785 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.694 ppm2      7.046 CV     1
 ASSI {  791}
   (( segid "    " and resid 52   and name HB1 ))
   (( segid "    " and resid 53   and name HN  ))
      6.000     4.500     0.000 peak   791 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.427 ppm2      8.836 CV     1
 ASSI {  797}
   (( segid "    " and resid 4    and name HB2 ))
   (( segid "    " and resid 100  and name HN  ))
      6.000     4.500     0.000 peak   797 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.731 ppm2      7.545 CV     1
 ASSI {  798}
   (( segid "    " and resid 4    and name HB1 ))
   (( segid "    " and resid 4    and name HN  ))
      6.000     4.500     0.000 peak   798 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.668 ppm2      8.652 CV     1
 ASSI {  799}
   (( segid "    " and resid 119  and name HE2 ))
   (  segid "    " and resid 137  and name HD% )
      6.000     4.500     0.000 peak   799 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.303 ppm2      7.336 CV     1
 ASSI {  800}
   (( segid "    " and resid 7    and name HB  ))
   (( segid "    " and resid 7    and name HN  ))
      6.000     4.500     0.000 peak   800 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.471 ppm2      8.973 CV     1
 ASSI {  804}
   (( segid "    " and resid 120  and name HB1 ))
   (( segid "    " and resid 120  and name HN  ))
      6.000     4.500     0.000 peak   804 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.003 ppm2      7.427 CV     1
 ASSI {  809}
   (( segid "    " and resid 4    and name HB2 ))
   (  segid "    " and resid 4    and name HD% )
      6.000     4.500     0.000 peak   809 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.750 ppm2      6.825 CV     1
 ASSI {  811}
   (( segid "    " and resid 4    and name HB1 ))
   (( segid "    " and resid 100  and name HN  ))
      6.000     4.500     0.000 peak   811 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.687 ppm2      7.528 CV     1
 ASSI {  822}
   (( segid "    " and resid 107  and name HB1 ))
   (( segid "    " and resid 107  and name HN  ))
      6.000     4.500     0.000 peak   822 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.755 ppm2      9.217 CV     1
 ASSI {  823}
   (( segid "    " and resid 107  and name HB1 ))
   (( segid "    " and resid 108  and name HN  ))
      6.000     4.500     0.000 peak   823 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.755 ppm2      8.982 CV     1
 ASSI {  824}
   (( segid "    " and resid 107  and name HB1 ))
   (( segid "    " and resid 107  and name HD21))
      6.000     4.500     0.000 peak   824 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.754 ppm2      7.811 CV     1
 ASSI {  825}
   (( segid "    " and resid 107  and name HB1 ))
   (( segid "    " and resid 107  and name HA  ))
      6.000     4.500     0.000 peak   825 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.754 ppm2      5.522 CV     1
 ASSI {  826}
   (( segid "    " and resid 107  and name HB2 ))
   (( segid "    " and resid 107  and name HN  ))
      6.000     4.500     0.000 peak   826 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.684 ppm2      9.216 CV     1
 ASSI {  829}
   (( segid "    " and resid 107  and name HB2 ))
   (( segid "    " and resid 107  and name HA  ))
      6.000     4.500     0.000 peak   829 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.685 ppm2      5.522 CV     1
 ASSI {  832}
   (( segid "    " and resid 152  and name HB2 ))
   (  segid "    " and resid 152  and name HD% )
      6.000     4.500     0.000 peak   832 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.386 ppm2      7.065 CV     1
 ASSI {  836}
   (( segid "    " and resid 129  and name HB2 ))
   (  segid "    " and resid 129  and name HD% )
      6.000     4.500     0.000 peak   836 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.185 ppm2      7.194 CV     1
 ASSI {  838}
   (( segid "    " and resid 129  and name HB1 ))
   (  segid "    " and resid 129  and name HD% )
      6.000     4.500     0.000 peak   838 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.890 ppm2      7.211 CV     1
 ASSI {  842}
   (( segid "    " and resid 152  and name HB1 ))
   (  segid "    " and resid 152  and name HD% )
      6.000     4.500     0.000 peak   842 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.674 ppm2      7.074 CV     1
 ASSI {  843}
   (( segid "    " and resid 103  and name HB1 ))
   (( segid "    " and resid 103  and name HD22))
      6.000     4.500     0.000 peak   843 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.682 ppm2      6.991 CV     1
 ASSI {  844}
   (( segid "    " and resid 10   and name HB1 ))
   (( segid "    " and resid 10   and name HD22))
      6.000     4.500     0.000 peak   844 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.391 ppm2      6.869 CV     1
 ASSI {  845}
   (( segid "    " and resid 103  and name HB2 ))
   (( segid "    " and resid 103  and name HN  ))
      6.000     4.500     0.000 peak   845 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.008 ppm2      9.261 CV     1
 ASSI {  851}
   (( segid "    " and resid 103  and name HB1 ))
   (( segid "    " and resid 103  and name HN  ))
      6.000     4.500     0.000 peak   851 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.682 ppm2      9.264 CV     1
 ASSI {  852}
   (( segid "    " and resid 103  and name HB1 ))
   (( segid "    " and resid 104  and name HN  ))
      6.000     4.500     0.000 peak   852 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.683 ppm2      8.356 CV     1
 ASSI {  855}
   (( segid "    " and resid 10   and name HB2 ))
   (( segid "    " and resid 10   and name HD22))
      6.000     4.500     0.000 peak   855 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.646 ppm2      6.873 CV     1
 ASSI {  856}
   (( segid "    " and resid 49   and name HB1 ))
   (( segid "    " and resid 50   and name HN  ))
      6.000     4.500     0.000 peak   856 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.732 ppm2      7.823 CV     1
 ASSI {  857}
   (( segid "    " and resid 49   and name HB1 ))
   (( segid "    " and resid 49   and name HN  ))
      6.000     4.500     0.000 peak   857 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.717 ppm2      8.878 CV     1
 ASSI {  860}
   (( segid "    " and resid 131  and name HB  ))
   (( segid "    " and resid 132  and name HN  ))
      6.000     4.500     0.000 peak   860 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.152 ppm2      8.306 CV     1
 ASSI {  864}
   (( segid "    " and resid 137  and name HB2 ))
   (  segid "    " and resid 137  and name HD% )
      6.000     4.500     0.000 peak   864 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.392 ppm2      7.342 CV     1
 ASSI {  866}
   (( segid "    " and resid 137  and name HB1 ))
   (( segid "    " and resid 141  and name HN  ))
      6.000     4.500     0.000 peak   866 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.268 ppm2      8.010 CV     1
 ASSI {  867}
   (( segid "    " and resid 137  and name HB1 ))
   (  segid "    " and resid 137  and name HD% )
      6.000     4.500     0.000 peak   867 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.261 ppm2      7.331 CV     1
 ASSI {  871}
   (( segid "    " and resid 33   and name HB  ))
   (( segid "    " and resid 34   and name HN  ))
      6.000     4.500     0.000 peak   871 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.780 ppm2      9.185 CV     1
 ASSI {  872}
   (( segid "    " and resid 116  and name HB1 ))
   (( segid "    " and resid 116  and name HN  ))
      6.000     4.500     0.000 peak   872 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.077 ppm2      8.407 CV     1
 ASSI {  873}
   (( segid "    " and resid 116  and name HB1 ))
   (  segid "    " and resid 116  and name HD% )
      6.000     4.500     0.000 peak   873 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.082 ppm2      6.656 CV     1
 ASSI {  874}
   (( segid "    " and resid 116  and name HB2 ))
   (  segid "    " and resid 116  and name HD% )
      6.000     4.500     0.000 peak   874 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.989 ppm2      6.654 CV     1
 ASSI {  877}
   (( segid "    " and resid 67   and name HG2 ))
   (( segid "    " and resid 68   and name HN  ))
      6.000     4.500     0.000 peak   877 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.154 ppm2      6.878 CV     1
 ASSI {  878}
   (( segid "    " and resid 67   and name HG1 ))
   (( segid "    " and resid 67   and name HN  ))
      6.000     4.500     0.000 peak   878 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.979 ppm2      8.723 CV     1
 ASSI {  879}
   (( segid "    " and resid 67   and name HG1 ))
   (( segid "    " and resid 68   and name HN  ))
      6.000     4.500     0.000 peak   879 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.984 ppm2      6.871 CV     1
 ASSI {  882}
   (( segid "    " and resid 146  and name HB  ))
   (( segid "    " and resid 145  and name HN  ))
      6.000     4.500     0.000 peak   882 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.786 ppm2      6.746 CV     1
 ASSI {  890}
   (( segid "    " and resid 39   and name HB2 ))
   (( segid "    " and resid 39   and name HA  ))
      6.000     4.500     0.000 peak   890 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.786 ppm2      5.269 CV     1
 ASSI {  896}
   (( segid "    " and resid 76   and name HB  ))
   (( segid "    " and resid 77   and name HN  ))
      6.000     4.500     0.000 peak   896 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.856 ppm2      8.040 CV     1
 ASSI {  905}
   (( segid "    " and resid 98   and name HB  ))
   (( segid "    " and resid 71   and name HN  ))
      6.000     4.500     0.000 peak   905 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.119 ppm2      7.775 CV     1
 ASSI {  908}
   (( segid "    " and resid 141  and name HG1 ))
   (( segid "    " and resid 142  and name HN  ))
      6.000     4.500     0.000 peak   908 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.289 ppm2      9.274 CV     1
 ASSI {  909}
   (( segid "    " and resid 141  and name HG1 ))
   (( segid "    " and resid 141  and name HN  ))
      6.000     4.500     0.000 peak   909 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.286 ppm2      8.004 CV     1
 ASSI {  919}
   (( segid "    " and resid 16   and name HG2 ))
   (( segid "    " and resid 16   and name HN  ))
      6.000     4.500     0.000 peak   919 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.388 ppm2      7.278 CV     1
 ASSI {  920}
   (( segid "    " and resid 16   and name HG1 ))
   (( segid "    " and resid 19   and name HD21))
      6.000     4.500     0.000 peak   920 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.362 ppm2      7.411 CV     1
 ASSI {  922}
   (( segid "    " and resid 16   and name HG1 ))
   (( segid "    " and resid 16   and name HN  ))
      6.000     4.500     0.000 peak   922 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.346 ppm2      7.277 CV     1
 ASSI {  923}
   (( segid "    " and resid 104  and name HG1 ))
   (( segid "    " and resid 104  and name HN  ))
      6.000     4.500     0.000 peak   923 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.603 ppm2      8.344 CV     1
 ASSI {  924}
   (( segid "    " and resid 104  and name HG1 ))
   (( segid "    " and resid 103  and name HN  ))
      6.000     4.500     0.000 peak   924 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.601 ppm2      9.263 CV     1
 ASSI {  926}
   (( segid "    " and resid 104  and name HG1 ))
   (  segid "    " and resid 101  and name HD% )
      6.000     4.500     0.000 peak   926 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.601 ppm2      7.037 CV     1
 ASSI {  929}
   (( segid "    " and resid 104  and name HG2 ))
   (( segid "    " and resid 103  and name HN  ))
      6.000     4.500     0.000 peak   929 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.529 ppm2      9.261 CV     1
 ASSI {  930}
   (( segid "    " and resid 104  and name HG2 ))
   (( segid "    " and resid 104  and name HN  ))
      6.000     4.500     0.000 peak   930 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.529 ppm2      8.342 CV     1
 ASSI {  931}
   (( segid "    " and resid 104  and name HG2 ))
   (( segid "    " and resid 105  and name HN  ))
      6.000     4.500     0.000 peak   931 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.525 ppm2      8.190 CV     1
 ASSI {  932}
   (( segid "    " and resid 104  and name HG2 ))
   (  segid "    " and resid 101  and name HD% )
      6.000     4.500     0.000 peak   932 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.530 ppm2      7.043 CV     1
 ASSI {  934}
   (( segid "    " and resid 30   and name HG2 ))
   (( segid "    " and resid 30   and name HN  ))
      6.000     4.500     0.000 peak   934 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.180 ppm2      8.918 CV     1
 ASSI {  935}
   (( segid "    " and resid 30   and name HG2 ))
   (( segid "    " and resid 31   and name HN  ))
      6.000     4.500     0.000 peak   935 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.182 ppm2      7.273 CV     1
 ASSI {  936}
   (( segid "    " and resid 58   and name HB  ))
   (( segid "    " and resid 58   and name HN  ))
      6.000     4.500     0.000 peak   936 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.984 ppm2      9.098 CV     1
 ASSI {  938}
   (( segid "    " and resid 77   and name HG2 ))
   (( segid "    " and resid 77   and name HN  ))
      6.000     4.500     0.000 peak   938 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.863 ppm2      8.022 CV     1
 ASSI {  940}
   (( segid "    " and resid 80   and name HG1 ))
   (( segid "    " and resid 80   and name HE21))
      6.000     4.500     0.000 peak   940 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.504 ppm2      7.914 CV     1
 ASSI {  942}
   (( segid "    " and resid 80   and name HG1 ))
   (( segid "    " and resid 80   and name HE22))
      6.000     4.500     0.000 peak   942 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.509 ppm2      7.458 CV     1
 ASSI {  943}
   (( segid "    " and resid 68   and name HG2 ))
   (( segid "    " and resid 67   and name HN  ))
      6.000     4.500     0.000 peak   943 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.412 ppm2      8.735 CV     1
 OR {  943}
   (( segid "    " and resid 68   and name HG1 ))
   (( segid "    " and resid 67   and name HN  ))
 ASSI {  946}
   (( segid "    " and resid 68   and name HG2 ))
   (( segid "    " and resid 72   and name HD2 ))
      6.000     4.500     0.000 peak   946 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.415 ppm2      7.225 CV     1
 OR {  946}
   (( segid "    " and resid 68   and name HG1 ))
   (( segid "    " and resid 72   and name HD2 ))
 ASSI {  948}
   (( segid "    " and resid 109  and name HG1 ))
   (( segid "    " and resid 109  and name HN  ))
      6.000     4.500     0.000 peak   948 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.341 ppm2      8.884 CV     1
 ASSI {  950}
   (( segid "    " and resid 80   and name HG2 ))
   (( segid "    " and resid 80   and name HE21))
      6.000     4.500     0.000 peak   950 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.269 ppm2      7.910 CV     1
 ASSI {  952}
   (( segid "    " and resid 80   and name HG2 ))
   (( segid "    " and resid 80   and name HE22))
      6.000     4.500     0.000 peak   952 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.258 ppm2      7.443 CV     1
 ASSI {  957}
   (( segid "    " and resid 58   and name HB  ))
   (( segid "    " and resid 57   and name HA  ))
      6.000     4.500     0.000 peak   957 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.983 ppm2      5.683 CV     1
 ASSI {  958}
   (( segid "    " and resid 77   and name HG1 ))
   (( segid "    " and resid 77   and name HN  ))
      6.000     4.500     0.000 peak   958 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.956 ppm2      8.024 CV     1
 ASSI {  960}
   (( segid "    " and resid 68   and name HG1 ))
   (( segid "    " and resid 71   and name HD21))
      6.000     4.500     0.000 peak   960 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.415 ppm2      7.458 CV     1
 OR {  960}
   (( segid "    " and resid 68   and name HG2 ))
   (( segid "    " and resid 71   and name HD21))
 ASSI {  968}
   (( segid "    " and resid 134  and name HG1 ))
   (( segid "    " and resid 135  and name HN  ))
      6.000     4.500     0.000 peak   968 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.319 ppm2      7.214 CV     1
 ASSI {  969}
   (( segid "    " and resid 134  and name HG1 ))
   (( segid "    " and resid 134  and name HN  ))
      6.000     4.500     0.000 peak   969 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.315 ppm2      8.299 CV     1
 ASSI {  970}
   (( segid "    " and resid 61   and name HG1 ))
   (( segid "    " and resid 62   and name HN  ))
      6.000     4.500     0.000 peak   970 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.221 ppm2      9.214 CV     1
 ASSI {  972}
   (( segid "    " and resid 61   and name HG2 ))
   (( segid "    " and resid 61   and name HN  ))
      6.000     4.500     0.000 peak   972 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.933 ppm2      8.810 CV     1
 ASSI {  977}
   (( segid "    " and resid 36   and name HB  ))
   (( segid "    " and resid 37   and name HN  ))
      6.000     4.500     0.000 peak   977 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.967 ppm2      9.137 CV     1
 ASSI {  985}
   (( segid "    " and resid 48   and name HG2 ))
   (( segid "    " and resid 48   and name HN  ))
      6.000     4.500     0.000 peak   985 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.557 ppm2      8.584 CV     1
 ASSI {  986}
   (( segid "    " and resid 48   and name HG1 ))
   (( segid "    " and resid 93   and name HN  ))
      6.000     4.500     0.000 peak   986 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.484 ppm2      8.738 CV     1
 ASSI {  988}
   (( segid "    " and resid 48   and name HG1 ))
   (( segid "    " and resid 48   and name HE22))
      6.000     4.500     0.000 peak   988 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.472 ppm2      7.769 CV     1
 ASSI {  989}
   (( segid "    " and resid 48   and name HG1 ))
   (( segid "    " and resid 48   and name HE21))
      6.000     4.500     0.000 peak   989 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.473 ppm2      7.046 CV     1
 ASSI {  993}
   (( segid "    " and resid 99   and name HB2 ))
   (( segid "    " and resid 99   and name HN  ))
      6.000     4.500     0.000 peak   993 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.145 ppm2      9.596 CV     1
 ASSI {  994}
   (( segid "    " and resid 99   and name HB2 ))
   (( segid "    " and resid 100  and name HN  ))
      6.000     4.500     0.000 peak   994 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.138 ppm2      7.543 CV     1
 ASSI {  997}
   (( segid "    " and resid 79   and name HG1 ))
   (( segid "    " and resid 79   and name HE22))
      6.000     4.500     0.000 peak   997 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.696 ppm2      7.800 CV     1
 ASSI {  998}
   (( segid "    " and resid 79   and name HG1 ))
   (( segid "    " and resid 79   and name HN  ))
      6.000     4.500     0.000 peak   998 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.681 ppm2      8.796 CV     1
 ASSI {  999}
   (( segid "    " and resid 79   and name HG1 ))
   (( segid "    " and resid 80   and name HN  ))
      6.000     4.500     0.000 peak   999 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.682 ppm2      7.653 CV     1
 ASSI { 1001}
   (( segid "    " and resid 79   and name HG1 ))
   (( segid "    " and resid 79   and name HE21))
      6.000     4.500     0.000 peak  1001 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.675 ppm2      6.996 CV     1
 ASSI { 1003}
   (( segid "    " and resid 79   and name HG2 ))
   (( segid "    " and resid 81   and name HN  ))
      6.000     4.500     0.000 peak  1003 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.588 ppm2      7.936 CV     1
 ASSI { 1004}
   (( segid "    " and resid 79   and name HG2 ))
   (( segid "    " and resid 80   and name HN  ))
      6.000     4.500     0.000 peak  1004 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.587 ppm2      7.646 CV     1
 ASSI { 1012}
   (( segid "    " and resid 145  and name HG2 ))
   (( segid "    " and resid 146  and name HN  ))
      6.000     4.500     0.000 peak  1012 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.490 ppm2      7.862 CV     1
 OR { 1012}
   (( segid "    " and resid 145  and name HG1 ))
   (( segid "    " and resid 146  and name HN  ))
 ASSI { 1017}
   (( segid "    " and resid 142  and name HB1 ))
   (( segid "    " and resid 142  and name HN  ))
      6.000     4.500     0.000 peak  1017 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.099 ppm2      9.262 CV     1
 ASSI { 1019}
   (( segid "    " and resid 14   and name HB2 ))
   (( segid "    " and resid 15   and name HN  ))
      6.000     4.500     0.000 peak  1019 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.152 ppm2      8.176 CV     1
 ASSI { 1020}
   (( segid "    " and resid 99   and name HG2 ))
   (( segid "    " and resid 99   and name HN  ))
      6.000     4.500     0.000 peak  1020 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.193 ppm2      9.594 CV     1
 ASSI { 1024}
   (( segid "    " and resid 99   and name HG1 ))
   (( segid "    " and resid 99   and name HN  ))
      6.000     4.500     0.000 peak  1024 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.694 ppm2      9.598 CV     1
 ASSI { 1026}
   (( segid "    " and resid 41   and name HB2 ))
   (( segid "    " and resid 158  and name HE3 ))
      6.000     4.500     0.000 peak  1026 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.747 ppm2      7.404 CV     1
 OR { 1026}
   (( segid "    " and resid 41   and name HB1 ))
   (( segid "    " and resid 158  and name HE3 ))
 ASSI { 1029}
   (( segid "    " and resid 51   and name HB1 ))
   (( segid "    " and resid 52   and name HN  ))
      6.000     4.500     0.000 peak  1029 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.454 ppm2      8.039 CV     1
 ASSI { 1030}
   (( segid "    " and resid 51   and name HB2 ))
   (( segid "    " and resid 52   and name HN  ))
      6.000     4.500     0.000 peak  1030 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.160 ppm2      8.047 CV     1
 ASSI { 1032}
   (( segid "    " and resid 105  and name HB  ))
   (( segid "    " and resid 106  and name HN  ))
      6.000     4.500     0.000 peak  1032 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.022 ppm2      9.411 CV     1
 ASSI { 1033}
   (( segid "    " and resid 105  and name HB  ))
   (( segid "    " and resid 105  and name HN  ))
      6.000     4.500     0.000 peak  1033 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.019 ppm2      8.190 CV     1
 ASSI { 1039}
   (( segid "    " and resid 29   and name HB2 ))
   (( segid "    " and resid 30   and name HN  ))
      6.000     4.500     0.000 peak  1039 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.397 ppm2      8.912 CV     1
 ASSI { 1049}
   (( segid "    " and resid 47   and name HB1 ))
   (( segid "    " and resid 48   and name HN  ))
      6.000     4.500     0.000 peak  1049 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.441 ppm2      8.577 CV     1
 ASSI { 1050}
   (( segid "    " and resid 47   and name HB1 ))
   (( segid "    " and resid 50   and name HE21))
      6.000     4.500     0.000 peak  1050 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.437 ppm2      8.300 CV     1
 ASSI { 1051}
   (( segid "    " and resid 85   and name HB2 ))
   (( segid "    " and resid 85   and name HN  ))
      6.000     4.500     0.000 peak  1051 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.993 ppm2      8.299 CV     1
 ASSI { 1053}
   (( segid "    " and resid 23   and name HB2 ))
   (( segid "    " and resid 22   and name HN  ))
      6.000     4.500     0.000 peak  1053 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.983 ppm2      8.532 CV     1
 OR { 1053}
   (( segid "    " and resid 23   and name HB1 ))
   (( segid "    " and resid 22   and name HN  ))
 ASSI { 1059}
   (( segid "    " and resid 115  and name HB2 ))
   (( segid "    " and resid 115  and name HD2 ))
      6.000     4.500     0.000 peak  1059 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.777 ppm2      6.799 CV     1
 ASSI { 1062}
   (( segid "    " and resid 72   and name HB1 ))
   (( segid "    " and resid 72   and name HD2 ))
      6.000     4.500     0.000 peak  1062 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.441 ppm2      7.213 CV     1
 ASSI { 1063}
   (( segid "    " and resid 72   and name HB2 ))
   (( segid "    " and resid 73   and name HN  ))
      6.000     4.500     0.000 peak  1063 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.959 ppm2      9.330 CV     1
 ASSI { 1064}
   (( segid "    " and resid 72   and name HB2 ))
   (( segid "    " and resid 72   and name HD2 ))
      6.000     4.500     0.000 peak  1064 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.957 ppm2      7.218 CV     1
 ASSI { 1067}
   (( segid "    " and resid 91   and name HG2 ))
   (( segid "    " and resid 10   and name HD21))
      6.000     4.500     0.000 peak  1067 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.089 ppm2      6.474 CV     1
 OR { 1067}
   (( segid "    " and resid 91   and name HG1 ))
   (( segid "    " and resid 10   and name HD21))
 ASSI { 1072}
   (( segid "    " and resid 44   and name HB2 ))
   (( segid "    " and resid 50   and name HE22))
      6.000     4.500     0.000 peak  1072 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.943 ppm2      7.094 CV     1
 OR { 1072}
   (( segid "    " and resid 44   and name HB1 ))
   (( segid "    " and resid 50   and name HE22))
 ASSI { 1073}
   (( segid "    " and resid 44   and name HB1 ))
   (  segid "    " and resid 53   and name HD% )
      6.000     4.500     0.000 peak  1073 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.943 ppm2      6.535 CV     1
 OR { 1073}
   (( segid "    " and resid 44   and name HB2 ))
   (  segid "    " and resid 53   and name HD% )
 ASSI { 1079}
   (( segid "    " and resid 119  and name HB1 ))
   (( segid "    " and resid 119  and name HN  ))
      6.000     4.500     0.000 peak  1079 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.509 ppm2      8.116 CV     1
 ASSI { 1085}
   (( segid "    " and resid 91   and name HB2 ))
   (( segid "    " and resid 10   and name HD21))
      6.000     4.500     0.000 peak  1085 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.813 ppm2      6.485 CV     1
 OR { 1085}
   (( segid "    " and resid 91   and name HB1 ))
   (( segid "    " and resid 10   and name HD21))
 ASSI { 1087}
   (( segid "    " and resid 32   and name HB2 ))
   (( segid "    " and resid 32   and name HD2 ))
      6.000     4.500     0.000 peak  1087 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.342 ppm2      7.003 CV     1
 ASSI { 1089}
   (( segid "    " and resid 32   and name HB1 ))
   (( segid "    " and resid 34   and name HN  ))
      6.000     4.500     0.000 peak  1089 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.133 ppm2      9.186 CV     1
 ASSI { 1091}
   (( segid "    " and resid 32   and name HB1 ))
   (( segid "    " and resid 32   and name HD2 ))
      6.000     4.500     0.000 peak  1091 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.126 ppm2      7.003 CV     1
 ASSI { 1099}
   (( segid "    " and resid 2    and name HB  ))
   (( segid "    " and resid 3    and name HN  ))
      6.000     4.500     0.000 peak  1099 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.769 ppm2      9.257 CV     1
 ASSI { 1104}
   (( segid "    " and resid 104  and name HB2 ))
   (  segid "    " and resid 101  and name HD% )
      6.000     4.500     0.000 peak  1104 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.395 ppm2      7.045 CV     1
 ASSI { 1108}
   (( segid "    " and resid 104  and name HB1 ))
   (  segid "    " and resid 101  and name HD% )
      6.000     4.500     0.000 peak  1108 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.191 ppm2      7.038 CV     1
 ASSI { 1112}
   (( segid "    " and resid 133  and name HB2 ))
   (  segid "    " and resid 129  and name HD% )
      6.000     4.500     0.000 peak  1112 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.594 ppm2      7.211 CV     1
 ASSI { 1115}
   (( segid "    " and resid 127  and name HB1 ))
   (  segid "    " and resid 40   and name HD% )
      6.000     4.500     0.000 peak  1115 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.707 ppm2      7.035 CV     1
 ASSI { 1116}
   (( segid "    " and resid 127  and name HB1 ))
   (( segid "    " and resid 126  and name HD1 ))
      6.000     6.000     0.000 peak  1116 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.720 ppm2      6.739 CV     1
 ASSI { 1117}
   (( segid "    " and resid 127  and name HB1 ))
   (( segid "    " and resid 128  and name HN  ))
      6.000     4.500     0.000 peak  1117 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.716 ppm2      6.573 CV     1
 ASSI { 1119}
   (( segid "    " and resid 144  and name HB2 ))
   (( segid "    " and resid 144  and name HN  ))
      6.000     4.500     0.000 peak  1119 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.129 ppm2      9.591 CV     1
 ASSI { 1120}
   (( segid "    " and resid 144  and name HB2 ))
   (( segid "    " and resid 147  and name HN  ))
      6.000     4.500     0.000 peak  1120 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.129 ppm2      7.477 CV     1
 ASSI { 1121}
   (( segid "    " and resid 144  and name HB2 ))
   (  segid "    " and resid 129  and name HD% )
      6.000     4.500     0.000 peak  1121 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.127 ppm2      7.207 CV     1
 ASSI { 1122}
   (( segid "    " and resid 144  and name HB2 ))
   (( segid "    " and resid 145  and name HN  ))
      6.000     4.500     0.000 peak  1122 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.127 ppm2      6.749 CV     1
 ASSI { 1123}
   (( segid "    " and resid 127  and name HB2 ))
   (  segid "    " and resid 40   and name HD% )
      6.000     4.500     0.000 peak  1123 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.955 ppm2      7.043 CV     1
 ASSI { 1125}
   (( segid "    " and resid 127  and name HB2 ))
   (( segid "    " and resid 128  and name HN  ))
      6.000     4.500     0.000 peak  1125 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.945 ppm2      6.567 CV     1
 ASSI { 1130}
   (( segid "    " and resid 144  and name HB1 ))
   (( segid "    " and resid 145  and name HN  ))
      6.000     4.500     0.000 peak  1130 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.808 ppm2      6.752 CV     1
 ASSI { 1138}
   (( segid "    " and resid 148  and name HB1 ))
   (( segid "    " and resid 148  and name HD2 ))
      6.000     4.500     0.000 peak  1138 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.255 ppm2      7.011 CV     1
 ASSI { 1140}
   (( segid "    " and resid 148  and name HB2 ))
   (( segid "    " and resid 150  and name HN  ))
      6.000     4.500     0.000 peak  1140 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.193 ppm2      7.873 CV     1
 ASSI { 1141}
   (( segid "    " and resid 148  and name HB2 ))
   (( segid "    " and resid 148  and name HN  ))
      6.000     4.500     0.000 peak  1141 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.189 ppm2      7.578 CV     1
 ASSI { 1143}
   (( segid "    " and resid 148  and name HB2 ))
   (( segid "    " and resid 148  and name HD2 ))
      6.000     4.500     0.000 peak  1143 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.192 ppm2      6.999 CV     1
 ASSI { 1145}
   (( segid "    " and resid 50   and name HB1 ))
   (( segid "    " and resid 10   and name HD22))
      6.000     4.500     0.000 peak  1145 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.023 ppm2      6.864 CV     1
 OR { 1145}
   (( segid "    " and resid 50   and name HB2 ))
   (( segid "    " and resid 10   and name HD22))
 ASSI { 1147}
   (( segid "    " and resid 141  and name HB2 ))
   (( segid "    " and resid 142  and name HN  ))
      6.000     4.500     0.000 peak  1147 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.876 ppm2      9.267 CV     1
 ASSI { 1148}
   (( segid "    " and resid 141  and name HB2 ))
   (( segid "    " and resid 141  and name HN  ))
      6.000     4.500     0.000 peak  1148 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.874 ppm2      8.002 CV     1
 ASSI { 1149}
   (( segid "    " and resid 141  and name HB2 ))
   (  segid "    " and resid 137  and name HD% )
      6.000     4.500     0.000 peak  1149 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.881 ppm2      7.332 CV     1
 ASSI { 1151}
   (( segid "    " and resid 141  and name HB1 ))
   (( segid "    " and resid 142  and name HN  ))
      6.000     4.500     0.000 peak  1151 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.775 ppm2      9.265 CV     1
 ASSI { 1152}
   (( segid "    " and resid 141  and name HB1 ))
   (( segid "    " and resid 140  and name HN  ))
      6.000     4.500     0.000 peak  1152 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.778 ppm2      8.370 CV     1
 ASSI { 1153}
   (( segid "    " and resid 141  and name HB1 ))
   (( segid "    " and resid 141  and name HN  ))
      6.000     4.500     0.000 peak  1153 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.778 ppm2      7.998 CV     1
 ASSI { 1154}
   (( segid "    " and resid 88   and name HB2 ))
   (( segid "    " and resid 89   and name HN  ))
      6.000     4.500     0.000 peak  1154 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.683 ppm2      9.332 CV     1
 ASSI { 1162}
   (( segid "    " and resid 66   and name HB2 ))
   (( segid "    " and resid 67   and name HN  ))
      6.000     4.500     0.000 peak  1162 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.285 ppm2      8.730 CV     1
 ASSI { 1165}
   (( segid "    " and resid 66   and name HB1 ))
   (  segid "    " and resid 101  and name HD% )
      6.000     4.500     0.000 peak  1165 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.552 ppm2      7.027 CV     1
 ASSI { 1173}
   (( segid "    " and resid 48   and name HB1 ))
   (( segid "    " and resid 93   and name HN  ))
      6.000     4.500     0.000 peak  1173 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.037 ppm2      8.737 CV     1
 ASSI { 1176}
   (( segid "    " and resid 50   and name HB2 ))
   (( segid "    " and resid 50   and name HN  ))
      6.000     4.500     0.000 peak  1176 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.023 ppm2      7.820 CV     1
 OR { 1176}
   (( segid "    " and resid 50   and name HB1 ))
   (( segid "    " and resid 50   and name HN  ))
 ASSI { 1180}
   (( segid "    " and resid 61   and name HB2 ))
   (( segid "    " and resid 61   and name HN  ))
      6.000     4.500     0.000 peak  1180 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.761 ppm2      8.813 CV     1
 ASSI { 1183}
   (( segid "    " and resid 61   and name HB1 ))
   (( segid "    " and resid 32   and name HN  ))
      6.000     4.500     0.000 peak  1183 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.309 ppm2      8.998 CV     1
 ASSI { 1184}
   (( segid "    " and resid 66   and name HB1 ))
   (( segid "    " and resid 67   and name HN  ))
      6.000     4.500     0.000 peak  1184 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.552 ppm2      8.726 CV     1
 ASSI { 1186}
   (( segid "    " and resid 158  and name HB2 ))
   (( segid "    " and resid 158  and name HE3 ))
      6.000     4.500     0.000 peak  1186 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.075 ppm2      7.425 CV     1
 ASSI { 1187}
   (( segid "    " and resid 158  and name HB2 ))
   (( segid "    " and resid 158  and name HD1 ))
      6.000     4.500     0.000 peak  1187 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.072 ppm2      7.270 CV     1
 ASSI { 1189}
   (( segid "    " and resid 158  and name HB1 ))
   (( segid "    " and resid 158  and name HE3 ))
      6.000     4.500     0.000 peak  1189 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.769 ppm2      7.415 CV     1
 ASSI { 1190}
   (( segid "    " and resid 158  and name HB1 ))
   (( segid "    " and resid 158  and name HD1 ))
      6.000     4.500     0.000 peak  1190 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.767 ppm2      7.265 CV     1
 ASSI { 1193}
   (( segid "    " and resid 68   and name HB1 ))
   (( segid "    " and resid 67   and name HN  ))
      6.000     4.500     0.000 peak  1193 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.299 ppm2      8.711 CV     1
 OR { 1193}
   (( segid "    " and resid 68   and name HB2 ))
   (( segid "    " and resid 67   and name HN  ))
 ASSI { 1194}
   (( segid "    " and resid 68   and name HB1 ))
   (( segid "    " and resid 65   and name HN  ))
      6.000     4.500     0.000 peak  1194 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.280 ppm2      8.396 CV     1
 OR { 1194}
   (( segid "    " and resid 68   and name HB2 ))
   (( segid "    " and resid 65   and name HN  ))
 ASSI { 1196}
   (( segid "    " and resid 68   and name HB1 ))
   (( segid "    " and resid 68   and name HN  ))
      6.000     4.500     0.000 peak  1196 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.283 ppm2      6.888 CV     1
 OR { 1196}
   (( segid "    " and resid 68   and name HB2 ))
   (( segid "    " and resid 68   and name HN  ))
 ASSI { 1202}
   (( segid "    " and resid 61   and name HB2 ))
   (( segid "    " and resid 32   and name HN  ))
      6.000     4.500     0.000 peak  1202 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.764 ppm2      8.998 CV     1
 ASSI { 1203}
   (( segid "    " and resid 61   and name HB1 ))
   (( segid "    " and resid 62   and name HN  ))
      6.000     4.500     0.000 peak  1203 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.308 ppm2      9.212 CV     1
 ASSI { 1204}
   (( segid "    " and resid 61   and name HB1 ))
   (( segid "    " and resid 61   and name HN  ))
      6.000     4.500     0.000 peak  1204 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.312 ppm2      8.816 CV     1
 ASSI { 1212}
   (( segid "    " and resid 150  and name HB2 ))
   (( segid "    " and resid 150  and name HN  ))
      6.000     4.500     0.000 peak  1212 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.264 ppm2      7.852 CV     1
 ASSI { 1213}
   (( segid "    " and resid 150  and name HB2 ))
   (( segid "    " and resid 151  and name HN  ))
      6.000     4.500     0.000 peak  1213 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.266 ppm2      7.526 CV     1
 ASSI { 1214}
   (( segid "    " and resid 150  and name HB2 ))
   (  segid "    " and resid 152  and name HD% )
      6.000     4.500     0.000 peak  1214 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.267 ppm2      7.049 CV     1
 ASSI { 1219}
   (( segid "    " and resid 75   and name HB1 ))
   (( segid "    " and resid 75   and name HN  ))
      6.000     4.500     0.000 peak  1219 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.345 ppm2      7.723 CV     1
 ASSI { 1220}
   (( segid "    " and resid 75   and name HB1 ))
   (( segid "    " and resid 77   and name HN  ))
      6.000     4.500     0.000 peak  1220 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.336 ppm2      8.059 CV     1
 ASSI { 1224}
   (( segid "    " and resid 75   and name HB2 ))
   (( segid "    " and resid 77   and name HN  ))
      6.000     4.500     0.000 peak  1224 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.903 ppm2      8.040 CV     1
 ASSI { 1225}
   (( segid "    " and resid 75   and name HB2 ))
   (( segid "    " and resid 75   and name HN  ))
      6.000     4.500     0.000 peak  1225 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.910 ppm2      7.720 CV     1
 ASSI { 1226}
   (( segid "    " and resid 23   and name HD1 ))
   (( segid "    " and resid 23   and name HN  ))
      6.000     4.500     0.000 peak  1226 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.698 ppm2      7.427 CV     1
 ASSI { 1227}
   (( segid "    " and resid 33   and name HG12))
   (( segid "    " and resid 34   and name HN  ))
      6.000     4.500     0.000 peak  1227 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.597 ppm2      9.183 CV     1
 OR { 1227}
   (( segid "    " and resid 33   and name HG11))
   (( segid "    " and resid 34   and name HN  ))
 ASSI { 1235}
   (( segid "    " and resid 76   and name HG12))
   (( segid "    " and resid 77   and name HN  ))
      6.000     4.500     0.000 peak  1235 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.115 ppm2      8.042 CV     1
 OR { 1235}
   (( segid "    " and resid 76   and name HG11))
   (( segid "    " and resid 77   and name HN  ))
 ASSI { 1238}
   (( segid "    " and resid 23   and name HD1 ))
   (( segid "    " and resid 24   and name HN  ))
      6.000     4.500     0.000 peak  1238 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.701 ppm2      7.924 CV     1
 ASSI { 1240}
   (( segid "    " and resid 33   and name HG12))
   (( segid "    " and resid 61   and name HN  ))
      6.000     4.500     0.000 peak  1240 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.612 ppm2      8.790 CV     1
 OR { 1240}
   (( segid "    " and resid 33   and name HG11))
   (( segid "    " and resid 61   and name HN  ))
 ASSI { 1248}
   (( segid "    " and resid 145  and name HB1 ))
   (( segid "    " and resid 142  and name HN  ))
      6.000     4.500     0.000 peak  1248 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.327 ppm2      9.263 CV     1
 OR { 1248}
   (( segid "    " and resid 145  and name HB2 ))
   (( segid "    " and resid 142  and name HN  ))
 ASSI { 1250}
   (( segid "    " and resid 134  and name HB1 ))
   (( segid "    " and resid 134  and name HN  ))
      6.000     4.500     0.000 peak  1250 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.317 ppm2      8.293 CV     1
 ASSI { 1251}
   (( segid "    " and resid 44   and name HG2 ))
   (( segid "    " and resid 50   and name HN  ))
      6.000     4.500     0.000 peak  1251 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.195 ppm2      7.812 CV     1
 OR { 1251}
   (( segid "    " and resid 44   and name HG1 ))
   (( segid "    " and resid 50   and name HN  ))
 ASSI { 1256}
   (( segid "    " and resid 98   and name HG11))
   (( segid "    " and resid 99   and name HN  ))
      6.000     4.500     0.000 peak  1256 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.874 ppm2      9.599 CV     1
 ASSI { 1257}
   (( segid "    " and resid 134  and name HB2 ))
   (( segid "    " and resid 134  and name HN  ))
      6.000     4.500     0.000 peak  1257 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.761 ppm2      8.293 CV     1
 ASSI { 1258}
   (( segid "    " and resid 146  and name HG12))
   (( segid "    " and resid 146  and name HN  ))
      6.000     4.500     0.000 peak  1258 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.600 ppm2      7.867 CV     1
 ASSI { 1261}
   (( segid "    " and resid 98   and name HG12))
   (( segid "    " and resid 98   and name HN  ))
      6.000     4.500     0.000 peak  1261 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.991 ppm2     11.158 CV     1
 ASSI { 1264}
   (( segid "    " and resid 79   and name HB1 ))
   (( segid "    " and resid 80   and name HN  ))
      6.000     4.500     0.000 peak  1264 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.370 ppm2      7.653 CV     1
 ASSI { 1265}
   (( segid "    " and resid 127  and name HG2 ))
   (  segid "    " and resid 40   and name HD% )
      6.000     4.500     0.000 peak  1265 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.058 ppm2      7.046 CV     1
 ASSI { 1266}
   (( segid "    " and resid 127  and name HG2 ))
   (( segid "    " and resid 126  and name HD1 ))
      6.000     4.500     0.000 peak  1266 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.052 ppm2      6.729 CV     1
 ASSI { 1267}
   (( segid "    " and resid 127  and name HG2 ))
   (( segid "    " and resid 128  and name HN  ))
      6.000     4.500     0.000 peak  1267 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.052 ppm2      6.571 CV     1
 ASSI { 1273}
   (( segid "    " and resid 127  and name HG1 ))
   (( segid "    " and resid 126  and name HD1 ))
      6.000     4.500     0.000 peak  1273 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.578 ppm2      6.746 CV     1
 ASSI { 1277}
   (( segid "    " and resid 79   and name HB1 ))
   (( segid "    " and resid 79   and name HN  ))
      6.000     4.500     0.000 peak  1277 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.368 ppm2      8.794 CV     1
 ASSI { 1278}
   (( segid "    " and resid 79   and name HB1 ))
   (( segid "    " and resid 79   and name HE22))
      6.000     4.500     0.000 peak  1278 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.366 ppm2      7.804 CV     1
 ASSI { 1279}
   (( segid "    " and resid 79   and name HB2 ))
   (( segid "    " and resid 79   and name HN  ))
      6.000     4.500     0.000 peak  1279 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.282 ppm2      8.795 CV     1
 ASSI { 1281}
   (( segid "    " and resid 79   and name HB2 ))
   (( segid "    " and resid 80   and name HN  ))
      6.000     4.500     0.000 peak  1281 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.271 ppm2      7.669 CV     1
 ASSI { 1289}
   (( segid "    " and resid 144  and name HG1 ))
   (( segid "    " and resid 144  and name HN  ))
      6.000     4.500     0.000 peak  1289 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.634 ppm2      9.595 CV     1
 ASSI { 1300}
   (( segid "    " and resid 126  and name HB1 ))
   (( segid "    " and resid 126  and name HD1 ))
      6.000     4.500     0.000 peak  1300 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.122 ppm2      6.728 CV     1
 ASSI { 1306}
   (( segid "    " and resid 80   and name HB2 ))
   (( segid "    " and resid 80   and name HE22))
      6.000     4.500     0.000 peak  1306 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.875 ppm2      7.446 CV     1
 ASSI { 1308}
   (( segid "    " and resid 17   and name HB1 ))
   (( segid "    " and resid 80   and name HE22))
      6.000     4.500     0.000 peak  1308 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.167 ppm2      7.472 CV     1
 OR { 1308}
   (( segid "    " and resid 17   and name HB2 ))
   (( segid "    " and resid 80   and name HE22))
 ASSI { 1313}
   (( segid "    " and resid 74   and name HB2 ))
   (( segid "    " and resid 74   and name HN  ))
      6.000     4.500     0.000 peak  1313 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.932 ppm2      8.921 CV     1
 ASSI { 1314}
   (( segid "    " and resid 74   and name HB2 ))
   (( segid "    " and resid 75   and name HN  ))
      6.000     4.500     0.000 peak  1314 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.922 ppm2      7.720 CV     1
 ASSI { 1316}
   (( segid "    " and resid 22   and name HG  ))
   (( segid "    " and resid 23   and name HN  ))
      6.000     4.500     0.000 peak  1316 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.909 ppm2      7.436 CV     1
 ASSI { 1317}
   (( segid "    " and resid 80   and name HB1 ))
   (( segid "    " and resid 79   and name HN  ))
      6.000     4.500     0.000 peak  1317 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.802 ppm2      8.797 CV     1
 ASSI { 1319}
   (( segid "    " and resid 80   and name HB1 ))
   (( segid "    " and resid 78   and name HN  ))
      6.000     4.500     0.000 peak  1319 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.804 ppm2      7.979 CV     1
 ASSI { 1323}
   (( segid "    " and resid 150  and name HG1 ))
   (( segid "    " and resid 147  and name HN  ))
      6.000     4.500     0.000 peak  1323 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.507 ppm2      7.487 CV     1
 ASSI { 1324}
   (( segid "    " and resid 150  and name HG2 ))
   (( segid "    " and resid 152  and name HN  ))
      6.000     4.500     0.000 peak  1324 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.462 ppm2      7.196 CV     1
 ASSI { 1335}
   (  segid "    " and resid 60   and name HD1%)
   (( segid "    " and resid 60   and name HN  ))
      6.000     4.500     0.000 peak  1335 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.746 ppm2      9.312 CV     1
 ASSI { 1337}
   (  segid "    " and resid 60   and name HD1%)
   (( segid "    " and resid 32   and name HN  ))
      6.000     4.500     0.000 peak  1337 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.743 ppm2      9.003 CV     1
 ASSI { 1338}
   (( segid "    " and resid 119  and name HG2 ))
   (( segid "    " and resid 119  and name HN  ))
      6.000     4.500     0.000 peak  1338 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.531 ppm2      8.117 CV     1
 ASSI { 1339}
   (( segid "    " and resid 126  and name HB1 ))
   (( segid "    " and resid 126  and name HE3 ))
      6.000     4.500     0.000 peak  1339 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.131 ppm2      7.805 CV     1
 ASSI { 1340}
   (( segid "    " and resid 30   and name HB1 ))
   (( segid "    " and resid 30   and name HN  ))
      6.000     4.500     0.000 peak  1340 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.416 ppm2      8.918 CV     1
 ASSI { 1344}
   (( segid "    " and resid 17   and name HB2 ))
   (( segid "    " and resid 17   and name HN  ))
      6.000     4.500     0.000 peak  1344 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.168 ppm2      8.167 CV     1
 OR { 1344}
   (( segid "    " and resid 17   and name HB1 ))
   (( segid "    " and resid 17   and name HN  ))
 ASSI { 1347}
   (( segid "    " and resid 150  and name HG1 ))
   (( segid "    " and resid 150  and name HN  ))
      6.000     4.500     0.000 peak  1347 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.513 ppm2      7.851 CV     1
 ASSI { 1348}
   (( segid "    " and resid 150  and name HG1 ))
   (( segid "    " and resid 149  and name HN  ))
      6.000     4.500     0.000 peak  1348 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.503 ppm2      8.383 CV     1
 ASSI { 1349}
   (( segid "    " and resid 150  and name HG2 ))
   (( segid "    " and resid 150  and name HN  ))
      6.000     4.500     0.000 peak  1349 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.447 ppm2      7.851 CV     1
 ASSI { 1350}
   (( segid "    " and resid 150  and name HG2 ))
   (( segid "    " and resid 121  and name HN  ))
      6.000     4.500     0.000 peak  1350 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.448 ppm2      6.994 CV     1
 ASSI { 1353}
   (( segid "    " and resid 106  and name HG11))
   (( segid "    " and resid 106  and name HN  ))
      6.000     4.500     0.000 peak  1353 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.072 ppm2      9.384 CV     1
 OR { 1353}
   (( segid "    " and resid 106  and name HG12))
   (( segid "    " and resid 106  and name HN  ))
 ASSI { 1355}
   (  segid "    " and resid 64   and name HD1%)
   (( segid "    " and resid 65   and name HN  ))
      6.000     4.500     0.000 peak  1355 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.707 ppm2      8.396 CV     1
 OR { 1355}
   (  segid "    " and resid 64   and name HD2%)
   (( segid "    " and resid 65   and name HN  ))
 ASSI { 1357}
   (( segid "    " and resid 89   and name HB2 ))
   (( segid "    " and resid 89   and name HE3 ))
      6.000     4.500     0.000 peak  1357 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.570 ppm2      7.617 CV     1
 OR { 1357}
   (( segid "    " and resid 89   and name HB1 ))
   (( segid "    " and resid 89   and name HE3 ))
 ASSI { 1358}
   (( segid "    " and resid 89   and name HB1 ))
   (( segid "    " and resid 89   and name HD1 ))
      6.000     4.500     0.000 peak  1358 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.566 ppm2      7.144 CV     1
 OR { 1358}
   (( segid "    " and resid 89   and name HB2 ))
   (( segid "    " and resid 89   and name HD1 ))
 ASSI { 1367}
   (( segid "    " and resid 150  and name HG1 ))
   (  segid "    " and resid 152  and name HD% )
      6.000     4.500     0.000 peak  1367 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.501 ppm2      7.033 CV     1
 ASSI { 1369}
   (( segid "    " and resid 92   and name HG2 ))
   (( segid "    " and resid 83   and name HN  ))
      6.000     4.500     0.000 peak  1369 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.382 ppm2      8.217 CV     1
 ASSI { 1371}
   (( segid "    " and resid 60   and name HG  ))
   (( segid "    " and resid 32   and name HN  ))
      6.000     4.500     0.000 peak  1371 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.305 ppm2      9.002 CV     1
 ASSI { 1372}
   (( segid "    " and resid 135  and name HG  ))
   (( segid "    " and resid 135  and name HN  ))
      6.000     4.500     0.000 peak  1372 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.265 ppm2      7.212 CV     1
 ASSI { 1375}
   (  segid "    " and resid 96   and name HD1%)
   (( segid "    " and resid 96   and name HA  ))
      6.000     4.500     0.000 peak  1375 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.145 ppm2      5.376 CV     1
 OR { 1375}
   (  segid "    " and resid 96   and name HD2%)
   (( segid "    " and resid 96   and name HA  ))
 ASSI { 1376}
   (  segid "    " and resid 96   and name HD2%)
   (( segid "    " and resid 96   and name HN  ))
      6.000     4.500     0.000 peak  1376 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.144 ppm2     10.650 CV     1
 OR { 1376}
   (  segid "    " and resid 96   and name HD1%)
   (( segid "    " and resid 96   and name HN  ))
 ASSI { 1381}
   (  segid "    " and resid 64   and name HD1%)
   (( segid "    " and resid 72   and name HD2 ))
      6.000     4.500     0.000 peak  1381 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.708 ppm2      7.233 CV     1
 OR { 1381}
   (  segid "    " and resid 64   and name HD2%)
   (( segid "    " and resid 72   and name HD2 ))
 ASSI { 1392}
   (( segid "    " and resid 114  and name HG1 ))
   (  segid "    " and resid 137  and name HD% )
      6.000     4.500     0.000 peak  1392 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.478 ppm2      7.333 CV     1
 ASSI { 1394}
   (( segid "    " and resid 66   and name HG2 ))
   (( segid "    " and resid 67   and name HN  ))
      6.000     4.500     0.000 peak  1394 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.742 ppm2      8.733 CV     1
 ASSI { 1396}
   (( segid "    " and resid 75   and name HG1 ))
   (( segid "    " and resid 75   and name HN  ))
      6.000     4.500     0.000 peak  1396 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.720 ppm2      7.720 CV     1
 ASSI { 1397}
   (( segid "    " and resid 75   and name HG2 ))
   (( segid "    " and resid 75   and name HN  ))
      6.000     4.500     0.000 peak  1397 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.592 ppm2      7.721 CV     1
 ASSI { 1411}
   (  segid "    " and resid 69   and name HD1%)
   (  segid "    " and resid 101  and name HD% )
      6.000     4.500     0.000 peak  1411 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.022 ppm2      7.039 CV     1
 ASSI { 1416}
   (  segid "    " and resid 34   and name HD2%)
   (( segid "    " and resid 34   and name HN  ))
      6.000     4.500     0.000 peak  1416 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.815 ppm2      9.187 CV     1
 OR { 1416}
   (  segid "    " and resid 34   and name HD1%)
   (( segid "    " and resid 34   and name HN  ))
 ASSI { 1418}
   (  segid "    " and resid 34   and name HD2%)
   (( segid "    " and resid 61   and name HN  ))
      6.000     4.500     0.000 peak  1418 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.813 ppm2      8.794 CV     1
 OR { 1418}
   (  segid "    " and resid 34   and name HD1%)
   (( segid "    " and resid 61   and name HN  ))
 ASSI { 1419}
   (  segid "    " and resid 34   and name HD2%)
   (( segid "    " and resid 35   and name HN  ))
      6.000     4.500     0.000 peak  1419 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.812 ppm2      7.317 CV     1
 OR { 1419}
   (  segid "    " and resid 34   and name HD1%)
   (( segid "    " and resid 35   and name HN  ))
 ASSI { 1420}
   (( segid "    " and resid 66   and name HG1 ))
   (  segid "    " and resid 101  and name HD% )
      6.000     4.500     0.000 peak  1420 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.797 ppm2      7.032 CV     1
 ASSI { 1424}
   (  segid "    " and resid 128  and name HD2%)
   (  segid "    " and resid 4    and name HD% )
      6.000     4.500     0.000 peak  1424 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.588 ppm2      6.821 CV     1
 OR { 1424}
   (  segid "    " and resid 128  and name HD1%)
   (  segid "    " and resid 4    and name HD% )
 ASSI { 1425}
   (  segid "    " and resid 155  and name HD2%)
   (( segid "    " and resid 156  and name HN  ))
      6.000     4.500     0.000 peak  1425 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.499 ppm2      9.311 CV     1
 OR { 1425}
   (  segid "    " and resid 155  and name HD1%)
   (( segid "    " and resid 156  and name HN  ))
 ASSI { 1426}
   (  segid "    " and resid 155  and name HD1%)
   (( segid "    " and resid 126  and name HN  ))
      6.000     4.500     0.000 peak  1426 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.500 ppm2      8.706 CV     1
 ASSI { 1427}
   (  segid "    " and resid 155  and name HD1%)
   (( segid "    " and resid 126  and name HD1 ))
      6.000     4.500     0.000 peak  1427 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.503 ppm2      6.728 CV     1
 OR { 1427}
   (  segid "    " and resid 155  and name HD2%)
   (( segid "    " and resid 126  and name HD1 ))
 ASSI { 1443}
   (  segid "    " and resid 135  and name HD1%)
   (  segid "    " and resid 4    and name HD% )
      6.000     4.500     0.000 peak  1443 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.379 ppm2      6.834 CV     1
 ASSI { 1445}
   (  segid "    " and resid 111  and name HD1%)
   (( segid "    " and resid 112  and name HN  ))
      6.000     4.500     0.000 peak  1445 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.329 ppm2      9.772 CV     1
 ASSI { 1446}
   (  segid "    " and resid 111  and name HD1%)
   (( segid "    " and resid 67   and name HN  ))
      6.000     4.500     0.000 peak  1446 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.330 ppm2      8.735 CV     1
 ASSI { 1447}
   (  segid "    " and resid 111  and name HD1%)
   (( segid "    " and resid 107  and name HD21))
      6.000     4.500     0.000 peak  1447 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.327 ppm2      7.791 CV     1
 ASSI { 1448}
   (  segid "    " and resid 135  and name HD2%)
   (( segid "    " and resid 137  and name HN  ))
      6.000     4.500     0.000 peak  1448 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.116 ppm2      9.234 CV     1
 ASSI { 1453}
   (  segid "    " and resid 135  and name HD2%)
   (  segid "    " and resid 4    and name HD% )
      6.000     4.500     0.000 peak  1453 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.113 ppm2      6.825 CV     1
 ASSI { 1467}
   (( segid "    " and resid 143  and name HG  ))
   (( segid "    " and resid 129  and name HN  ))
      6.000     4.500     0.000 peak  1467 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.968 ppm2      8.683 CV     1
 ASSI { 1468}
   (( segid "    " and resid 143  and name HG  ))
   (( segid "    " and resid 143  and name HN  ))
      6.000     4.500     0.000 peak  1468 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.967 ppm2      8.435 CV     1
 ASSI { 1469}
   (( segid "    " and resid 143  and name HG  ))
   (  segid "    " and resid 129  and name HD% )
      6.000     4.500     0.000 peak  1469 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.965 ppm2      7.188 CV     1
 ASSI { 1470}
   (( segid "    " and resid 143  and name HG  ))
   (  segid "    " and resid 4    and name HD% )
      6.000     4.500     0.000 peak  1470 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.965 ppm2      6.833 CV     1
 ASSI { 1476}
   (  segid "    " and resid 54   and name HD2%)
   (( segid "    " and resid 18   and name HN  ))
      6.000     4.500     0.000 peak  1476 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1     -0.633 ppm2      8.717 CV     1
 ASSI { 1477}
   (  segid "    " and resid 54   and name HD1%)
   (( segid "    " and resid 54   and name HN  ))
      6.000     4.500     0.000 peak  1477 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1     -0.631 ppm2      8.585 CV     1
 ASSI { 1479}
   (  segid "    " and resid 54   and name HD1%)
   (( segid "    " and resid 158  and name HE3 ))
      6.000     4.500     0.000 peak  1479 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1     -0.631 ppm2      7.427 CV     1
 ASSI { 1480}
   (  segid "    " and resid 54   and name HD1%)
   (( segid "    " and resid 158  and name HD1 ))
      6.000     4.500     0.000 peak  1480 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1     -0.632 ppm2      7.272 CV     1
 OR { 1480}
   (  segid "    " and resid 54   and name HD2%)
   (( segid "    " and resid 158  and name HD1 ))
 ASSI { 1482}
   (  segid "    " and resid 54   and name HD2%)
   (  segid "    " and resid 39   and name HD% )
      6.000     4.500     0.000 peak  1482 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1     -0.631 ppm2      6.965 CV     1
 OR { 1482}
   (  segid "    " and resid 54   and name HD1%)
   (  segid "    " and resid 39   and name HD% )
 ASSI { 1486}
   (( segid "    " and resid 23   and name HG2 ))
   (( segid "    " and resid 23   and name HN  ))
      6.000     4.500     0.000 peak  1486 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.558 ppm2      7.422 CV     1
 ASSI { 1487}
   (( segid "    " and resid 23   and name HG1 ))
   (( segid "    " and resid 24   and name HN  ))
      6.000     4.500     0.000 peak  1487 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.460 ppm2      7.934 CV     1
 ASSI { 1488}
   (( segid "    " and resid 23   and name HG1 ))
   (( segid "    " and resid 23   and name HN  ))
      6.000     4.500     0.000 peak  1488 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.451 ppm2      7.436 CV     1
 ASSI { 1493}
   (  segid "    " and resid 100  and name HD2%)
   (( segid "    " and resid 100  and name HN  ))
      6.000     4.500     0.000 peak  1493 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.075 ppm2      7.525 CV     1
 ASSI { 1494}
   (  segid "    " and resid 100  and name HD2%)
   (  segid "    " and resid 137  and name HD% )
      6.000     4.500     0.000 peak  1494 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.078 ppm2      7.328 CV     1
 ASSI { 1496}
   (  segid "    " and resid 100  and name HD2%)
   (  segid "    " and resid 4    and name HD% )
      6.000     4.500     0.000 peak  1496 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.078 ppm2      6.831 CV     1
 ASSI { 1497}
   (  segid "    " and resid 100  and name HD2%)
   (( segid "    " and resid 114  and name HA  ))
      6.000     4.500     0.000 peak  1497 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.076 ppm2      5.465 CV     1
 ASSI { 1498}
   (( segid "    " and resid 143  and name HG  ))
   (( segid "    " and resid 147  and name HN  ))
      6.000     4.500     0.000 peak  1498 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.968 ppm2      7.436 CV     1
 ASSI { 1499}
   (( segid "    " and resid 121  and name HG1 ))
   (( segid "    " and resid 121  and name HN  ))
      6.000     4.500     0.000 peak  1499 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.730 ppm2      6.992 CV     1
 ASSI { 1500}
   (  segid "    " and resid 147  and name HD1%)
   (( segid "    " and resid 147  and name HN  ))
      6.000     4.500     0.000 peak  1500 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1     -0.457 ppm2      7.451 CV     1
 ASSI { 1501}
   (  segid "    " and resid 147  and name HD1%)
   (( segid "    " and resid 126  and name HN  ))
      6.000     4.500     0.000 peak  1501 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1     -0.459 ppm2      8.682 CV     1
 ASSI { 1502}
   (  segid "    " and resid 147  and name HD1%)
   (( segid "    " and resid 126  and name HE3 ))
      6.000     4.500     0.000 peak  1502 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1     -0.462 ppm2      7.822 CV     1
 ASSI { 1505}
   (  segid "    " and resid 25   and name HD2%)
   (( segid "    " and resid 25   and name HN  ))
      6.000     4.500     0.000 peak  1505 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.850 ppm2      9.338 CV     1
 OR { 1505}
   (  segid "    " and resid 25   and name HD1%)
   (( segid "    " and resid 25   and name HN  ))
 ASSI { 1510}
   (  segid "    " and resid 22   and name HD2%)
   (( segid "    " and resid 23   and name HN  ))
      6.000     4.500     0.000 peak  1510 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.903 ppm2      7.411 CV     1
 ASSI { 1515}
   (  segid "    " and resid 22   and name HD2%)
   (( segid "    " and resid 22   and name HN  ))
      6.000     4.500     0.000 peak  1515 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.874 ppm2      8.512 CV     1
 ASSI { 1519}
   (  segid "    " and resid 56   and name HB% )
   (( segid "    " and resid 38   and name HN  ))
      6.000     4.500     0.000 peak  1519 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.433 ppm2      9.307 CV     1
 ASSI { 1522}
   (  segid "    " and resid 42   and name HG2%)
   (( segid "    " and resid 41   and name HA  ))
      6.000     4.500     0.000 peak  1522 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.443 ppm2      6.105 CV     1
 ASSI { 1523}
   (  segid "    " and resid 56   and name HB% )
   (( segid "    " and resid 57   and name HN  ))
      6.000     4.500     0.000 peak  1523 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.420 ppm2      9.502 CV     1
 ASSI { 1527}
   (  segid "    " and resid 56   and name HB% )
   (  segid "    " and resid 39   and name HD% )
      6.000     4.500     0.000 peak  1527 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.421 ppm2      6.984 CV     1
 ASSI { 1530}
   (  segid "    " and resid 56   and name HB% )
   (( segid "    " and resid 57   and name HA  ))
      6.000     4.500     0.000 peak  1530 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.423 ppm2      5.683 CV     1
 ASSI { 1531}
   (  segid "    " and resid 56   and name HB% )
   (( segid "    " and resid 39   and name HA  ))
      6.000     4.500     0.000 peak  1531 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.424 ppm2      5.244 CV     1
 ASSI { 1532}
   (  segid "    " and resid 93   and name HG2%)
   (( segid "    " and resid 11   and name HN  ))
      6.000     4.500     0.000 peak  1532 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.224 ppm2      6.992 CV     1
 ASSI { 1533}
   (  segid "    " and resid 93   and name HG2%)
   (( segid "    " and resid 93   and name HN  ))
      6.000     4.500     0.000 peak  1533 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.218 ppm2      8.756 CV     1
 ASSI { 1534}
   (  segid "    " and resid 93   and name HG2%)
   (( segid "    " and resid 12   and name HN  ))
      6.000     4.500     0.000 peak  1534 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.218 ppm2      8.179 CV     1
 ASSI { 1535}
   (  segid "    " and resid 93   and name HG2%)
   (( segid "    " and resid 17   and name HE21))
      6.000     4.500     0.000 peak  1535 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.219 ppm2      7.711 CV     1
 ASSI { 1545}
   (  segid "    " and resid 111  and name HD2%)
   (( segid "    " and resid 112  and name HN  ))
      6.000     4.500     0.000 peak  1545 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.380 ppm2      9.767 CV     1
 ASSI { 1547}
   (  segid "    " and resid 111  and name HD2%)
   (( segid "    " and resid 67   and name HN  ))
      6.000     4.500     0.000 peak  1547 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.380 ppm2      8.726 CV     1
 ASSI { 1549}
   (  segid "    " and resid 111  and name HD2%)
   (( segid "    " and resid 111  and name HN  ))
      6.000     4.500     0.000 peak  1549 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.381 ppm2      7.657 CV     1
 ASSI { 1556}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 46   and name HN  ))
      6.000     4.500     0.000 peak  1556 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.053 ppm2      8.563 CV     1
 ASSI { 1558}
   (  segid "    " and resid 69   and name HD2%)
   (( segid "    " and resid 69   and name HN  ))
      6.000     4.500     0.000 peak  1558 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.942 ppm2      8.227 CV     1
 ASSI { 1560}
   (  segid "    " and resid 69   and name HD2%)
   (( segid "    " and resid 72   and name HD2 ))
      6.000     4.500     0.000 peak  1560 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.944 ppm2      7.233 CV     1
 ASSI { 1561}
   (  segid "    " and resid 70   and name HD2%)
   (( segid "    " and resid 74   and name HE21))
      6.000     4.500     0.000 peak  1561 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.721 ppm2      8.216 CV     1
 ASSI { 1565}
   (( segid "    " and resid 128  and name HG  ))
   (  segid "    " and resid 4    and name HD% )
      6.000     4.500     0.000 peak  1565 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.308 ppm2      6.839 CV     1
 ASSI { 1568}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 59   and name HN  ))
      6.000     4.500     0.000 peak  1568 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.015 ppm2      8.534 CV     1
 OR { 1568}
   (  segid "    " and resid 58   and name HG1%)
   (( segid "    " and resid 59   and name HN  ))
 ASSI { 1569}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 35   and name HN  ))
      6.000     4.500     0.000 peak  1569 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.016 ppm2      7.321 CV     1
 OR { 1569}
   (  segid "    " and resid 58   and name HG1%)
   (( segid "    " and resid 35   and name HN  ))
 ASSI { 1571}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 60   and name HN  ))
      6.000     4.500     0.000 peak  1571 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.012 ppm2      9.333 CV     1
 OR { 1571}
   (  segid "    " and resid 58   and name HG1%)
   (( segid "    " and resid 60   and name HN  ))
 ASSI { 1572}
   (  segid "    " and resid 58   and name HG1%)
   (( segid "    " and resid 37   and name HN  ))
      6.000     4.500     0.000 peak  1572 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.013 ppm2      9.117 CV     1
 OR { 1572}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 37   and name HN  ))
 ASSI { 1573}
   (  segid "    " and resid 69   and name HD2%)
   (( segid "    " and resid 73   and name HN  ))
      6.000     4.500     0.000 peak  1573 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.944 ppm2      9.351 CV     1
 ASSI { 1575}
   (  segid "    " and resid 94   and name HD2%)
   (( segid "    " and resid 80   and name HE22))
      6.000     4.500     0.000 peak  1575 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.871 ppm2      7.445 CV     1
 OR { 1575}
   (  segid "    " and resid 94   and name HD1%)
   (( segid "    " and resid 80   and name HE22))
 ASSI { 1578}
   (  segid "    " and resid 94   and name HD2%)
   (( segid "    " and resid 81   and name HN  ))
      6.000     4.500     0.000 peak  1578 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.869 ppm2      7.936 CV     1
 OR { 1578}
   (  segid "    " and resid 94   and name HD1%)
   (( segid "    " and resid 81   and name HN  ))
 ASSI { 1587}
   (  segid "    " and resid 76   and name HD1%)
   (( segid "    " and resid 79   and name HE22))
      6.000     4.500     0.000 peak  1587 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.887 ppm2      7.780 CV     1
 ASSI { 1591}
   (  segid "    " and resid 94   and name HD1%)
   (( segid "    " and resid 95   and name HN  ))
      6.000     4.500     0.000 peak  1591 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.857 ppm2      9.184 CV     1
 OR { 1591}
   (  segid "    " and resid 94   and name HD2%)
   (( segid "    " and resid 95   and name HN  ))
 ASSI { 1597}
   (  segid "    " and resid 57   and name HB% )
   (( segid "    " and resid 57   and name HN  ))
      6.000     4.500     0.000 peak  1597 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.360 ppm2      9.503 CV     1
 ASSI { 1598}
   (  segid "    " and resid 57   and name HB% )
   (( segid "    " and resid 58   and name HN  ))
      6.000     4.500     0.000 peak  1598 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.360 ppm2      9.104 CV     1
 ASSI { 1600}
   (  segid "    " and resid 57   and name HB% )
   (( segid "    " and resid 128  and name HN  ))
      6.000     4.500     0.000 peak  1600 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.362 ppm2      6.581 CV     1
 ASSI { 1608}
   (  segid "    " and resid 36   and name HG1%)
   (( segid "    " and resid 36   and name HN  ))
      6.000     4.500     0.000 peak  1608 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.119 ppm2      8.307 CV     1
 ASSI { 1611}
   (  segid "    " and resid 36   and name HG1%)
   (( segid "    " and resid 59   and name HN  ))
      6.000     4.500     0.000 peak  1611 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.118 ppm2      8.538 CV     1
 ASSI { 1613}
   (  segid "    " and resid 2    and name HG1%)
   (( segid "    " and resid 3    and name HN  ))
      6.000     4.500     0.000 peak  1613 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.776 ppm2      9.244 CV     1
 ASSI { 1616}
   (( segid "    " and resid 64   and name HG  ))
   (( segid "    " and resid 64   and name HN  ))
      6.000     4.500     0.000 peak  1616 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.770 ppm2      8.540 CV     1
 ASSI { 1618}
   (( segid "    " and resid 64   and name HG  ))
   (( segid "    " and resid 69   and name HN  ))
      6.000     4.500     0.000 peak  1618 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.770 ppm2      8.241 CV     1
 ASSI { 1619}
   (( segid "    " and resid 64   and name HG  ))
   (( segid "    " and resid 72   and name HD2 ))
      6.000     4.500     0.000 peak  1619 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.772 ppm2      7.236 CV     1
 ASSI { 1629}
   (( segid "    " and resid 54   and name HG  ))
   (( segid "    " and resid 55   and name HN  ))
      6.000     4.500     0.000 peak  1629 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.238 ppm2      9.407 CV     1
 ASSI { 1630}
   (( segid "    " and resid 54   and name HG  ))
   (( segid "    " and resid 40   and name HN  ))
      6.000     4.500     0.000 peak  1630 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.237 ppm2      9.118 CV     1
 ASSI { 1631}
   (( segid "    " and resid 54   and name HG  ))
   (( segid "    " and resid 56   and name HN  ))
      6.000     4.500     0.000 peak  1631 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.239 ppm2      8.910 CV     1
 ASSI { 1632}
   (( segid "    " and resid 54   and name HG  ))
   (( segid "    " and resid 39   and name HN  ))
      6.000     4.500     0.000 peak  1632 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.236 ppm2      8.692 CV     1
 ASSI { 1633}
   (( segid "    " and resid 54   and name HG  ))
   (( segid "    " and resid 158  and name HE3 ))
      6.000     4.500     0.000 peak  1633 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.244 ppm2      7.432 CV     1
 ASSI { 1635}
   (( segid "    " and resid 54   and name HG  ))
   (  segid "    " and resid 39   and name HD% )
      6.000     4.500     0.000 peak  1635 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.239 ppm2      6.969 CV     1
 ASSI { 1636}
   (( segid "    " and resid 54   and name HG  ))
   (( segid "    " and resid 55   and name HA  ))
      6.000     4.500     0.000 peak  1636 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.240 ppm2      6.219 CV     1
 ASSI { 1637}
   (( segid "    " and resid 54   and name HG  ))
   (( segid "    " and resid 54   and name HA  ))
      6.000     4.500     0.000 peak  1637 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.239 ppm2      5.484 CV     1
 ASSI { 1638}
   (( segid "    " and resid 54   and name HG  ))
   (( segid "    " and resid 39   and name HA  ))
      6.000     4.500     0.000 peak  1638 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.239 ppm2      5.244 CV     1
 ASSI { 1641}
   (  segid "    " and resid 147  and name HD2%)
   (( segid "    " and resid 147  and name HN  ))
      6.000     4.500     0.000 peak  1641 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1     -0.569 ppm2      7.441 CV     1
 ASSI { 1642}
   (  segid "    " and resid 147  and name HD2%)
   (  segid "    " and resid 152  and name HD% )
      6.000     4.500     0.000 peak  1642 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1     -0.568 ppm2      7.065 CV     1
 ASSI { 1643}
   (  segid "    " and resid 149  and name HG2%)
   (( segid "    " and resid 150  and name HN  ))
      6.000     4.500     0.000 peak  1643 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.278 ppm2      7.853 CV     1
 ASSI { 1646}
   (  segid "    " and resid 59   and name HB% )
   (( segid "    " and resid 59   and name HN  ))
      6.000     4.500     0.000 peak  1646 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.257 ppm2      8.534 CV     1
 ASSI { 1647}
   (  segid "    " and resid 59   and name HB% )
   (  segid "    " and resid 4    and name HD% )
      6.000     4.500     0.000 peak  1647 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.259 ppm2      6.839 CV     1
 ASSI { 1652}
   (  segid "    " and resid 113  and name HG2%)
   (( segid "    " and resid 101  and name HN  ))
      6.000     4.500     0.000 peak  1652 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.177 ppm2      9.843 CV     1
 ASSI { 1675}
   (  segid "    " and resid 6    and name HB% )
   (( segid "    " and resid 6    and name HN  ))
      6.000     4.500     0.000 peak  1675 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.779 ppm2     10.001 CV     1
 ASSI { 1679}
   (  segid "    " and resid 3    and name HB% )
   (( segid "    " and resid 5    and name HN  ))
      6.000     4.500     0.000 peak  1679 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.239 ppm2      9.497 CV     1
 ASSI { 1682}
   (  segid "    " and resid 105  and name HG1%)
   (( segid "    " and resid 107  and name HD21))
      6.000     4.500     0.000 peak  1682 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.052 ppm2      7.812 CV     1
 OR { 1682}
   (  segid "    " and resid 105  and name HG2%)
   (( segid "    " and resid 107  and name HD21))
 ASSI { 1683}
   (  segid "    " and resid 105  and name HG1%)
   (( segid "    " and resid 107  and name HD22))
      6.000     4.500     0.000 peak  1683 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.051 ppm2      6.806 CV     1
 OR { 1683}
   (  segid "    " and resid 105  and name HG2%)
   (( segid "    " and resid 107  and name HD22))
 ASSI { 1688}
   (( segid "    " and resid 155  and name HG  ))
   (( segid "    " and resid 155  and name HN  ))
      6.000     4.500     0.000 peak  1688 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.786 ppm2      7.695 CV     1
 ASSI { 1689}
   (( segid "    " and resid 155  and name HG  ))
   (  segid "    " and resid 40   and name HD% )
      6.000     4.500     0.000 peak  1689 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.788 ppm2      7.050 CV     1
 ASSI { 1690}
   (( segid "    " and resid 155  and name HG  ))
   (( segid "    " and resid 126  and name HD1 ))
      6.000     4.500     0.000 peak  1690 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.785 ppm2      6.732 CV     1
 ASSI { 1693}
   (( segid "    " and resid 1    and name HG21))
   (( segid "    " and resid 102  and name HN  ))
      6.000     4.500     0.000 peak  1693 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.559 ppm2      8.410 CV     1
 ASSI { 1696}
   (( segid "    " and resid 1    and name HG21))
   (  segid "    " and resid 101  and name HD% )
      6.000     4.500     0.000 peak  1696 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.559 ppm2      7.046 CV     1
 ASSI { 1697}
   (  segid "    " and resid 6    and name HB% )
   (( segid "    " and resid 57   and name HA  ))
      6.000     4.500     0.000 peak  1697 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.776 ppm2      5.674 CV     1
 ASSI { 1702}
   (  segid "    " and resid 112  and name HG2%)
   (( segid "    " and resid 107  and name HD21))
      6.000     4.500     0.000 peak  1702 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.466 ppm2      7.801 CV     1
 ASSI { 1705}
   (  segid "    " and resid 112  and name HG2%)
   (( segid "    " and resid 107  and name HA  ))
      6.000     4.500     0.000 peak  1705 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.467 ppm2      5.521 CV     1
 ASSI { 1707}
   (  segid "    " and resid 3    and name HB% )
   (( segid "    " and resid 3    and name HN  ))
      6.000     4.500     0.000 peak  1707 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.229 ppm2      9.261 CV     1
 ASSI { 1709}
   (  segid "    " and resid 3    and name HB% )
   (( segid "    " and resid 4    and name HN  ))
      6.000     4.500     0.000 peak  1709 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.228 ppm2      8.655 CV     1
 ASSI { 1710}
   (  segid "    " and resid 3    and name HB% )
   (  segid "    " and resid 101  and name HD% )
      6.000     4.500     0.000 peak  1710 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.229 ppm2      7.036 CV     1
 ASSI { 1713}
   (  segid "    " and resid 136  and name HG2%)
   (  segid "    " and resid 137  and name HD% )
      6.000     4.500     0.000 peak  1713 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.031 ppm2      7.342 CV     1
 OR { 1713}
   (  segid "    " and resid 136  and name HG1%)
   (  segid "    " and resid 137  and name HD% )
 ASSI { 1716}
   (  segid "    " and resid 36   and name HG2%)
   (( segid "    " and resid 59   and name HN  ))
      6.000     4.500     0.000 peak  1716 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.358 ppm2      8.529 CV     1
 ASSI { 1717}
   (  segid "    " and resid 36   and name HG2%)
   (( segid "    " and resid 36   and name HN  ))
      6.000     4.500     0.000 peak  1717 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.359 ppm2      8.301 CV     1
 ASSI { 1719}
   (  segid "    " and resid 18   and name HG2%)
   (( segid "    " and resid 18   and name HN  ))
      6.000     4.500     0.000 peak  1719 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.238 ppm2      8.732 CV     1
 ASSI { 1726}
   (  segid "    " and resid 2    and name HG2%)
   (  segid "    " and resid 4    and name HD% )
      6.000     4.500     0.000 peak  1726 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.135 ppm2      6.838 CV     1
 ASSI { 1734}
   (  segid "    " and resid 86   and name HB% )
   (( segid "    " and resid 86   and name HN  ))
      6.000     4.500     0.000 peak  1734 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.451 ppm2      7.748 CV     1
 ASSI { 1735}
   (  segid "    " and resid 24   and name HB% )
   (( segid "    " and resid 25   and name HN  ))
      6.000     4.500     0.000 peak  1735 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.578 ppm2      9.344 CV     1
 ASSI { 1756}
   (  segid "    " and resid 132  and name HB% )
   (( segid "    " and resid 135  and name HN  ))
      6.000     4.500     0.000 peak  1756 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.020 ppm2      7.228 CV     1
 ASSI { 1760}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 95   and name HN  ))
      6.000     4.500     0.000 peak  1760 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.789 ppm2      9.215 CV     1
 ASSI { 1765}
   (  segid "    " and resid 62   and name HG2%)
   (( segid "    " and resid 2    and name HN  ))
      6.000     4.500     0.000 peak  1765 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.116 ppm2      8.772 CV     1
 ASSI { 1771}
   (  segid "    " and resid 62   and name HG2%)
   (  segid "    " and resid 101  and name HD% )
      6.000     4.500     0.000 peak  1771 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.112 ppm2      7.049 CV     1
 ASSI { 1775}
   (  segid "    " and resid 106  and name HG2%)
   (( segid "    " and resid 106  and name HN  ))
      6.000     4.500     0.000 peak  1775 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.946 ppm2      9.394 CV     1
 ASSI { 1776}
   (  segid "    " and resid 106  and name HG2%)
   (( segid "    " and resid 107  and name HN  ))
      6.000     4.500     0.000 peak  1776 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.945 ppm2      9.217 CV     1
 ASSI { 1777}
   (  segid "    " and resid 106  and name HG2%)
   (( segid "    " and resid 108  and name HN  ))
      6.000     4.500     0.000 peak  1777 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.946 ppm2      8.988 CV     1
 ASSI { 1780}
   (  segid "    " and resid 131  and name HG2%)
   (( segid "    " and resid 37   and name HN  ))
      6.000     4.500     0.000 peak  1780 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.845 ppm2      9.146 CV     1
 ASSI { 1784}
   (  segid "    " and resid 131  and name HG2%)
   (( segid "    " and resid 131  and name HN  ))
      6.000     4.500     0.000 peak  1784 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.843 ppm2      6.947 CV     1
 ASSI { 1805}
   (  segid "    " and resid 76   and name HG2%)
   (( segid "    " and resid 22   and name HN  ))
      6.000     4.500     0.000 peak  1805 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.838 ppm2      8.515 CV     1
 ASSI { 1806}
   (  segid "    " and resid 76   and name HG2%)
   (( segid "    " and resid 77   and name HN  ))
      6.000     4.500     0.000 peak  1806 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.834 ppm2      8.042 CV     1
 ASSI { 1808}
   (  segid "    " and resid 76   and name HG2%)
   (( segid "    " and resid 80   and name HN  ))
      6.000     4.500     0.000 peak  1808 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.828 ppm2      7.656 CV     1
 ASSI { 1812}
   (  segid "    " and resid 11   and name HD2%)
   (( segid "    " and resid 11   and name HN  ))
      6.000     4.500     0.000 peak  1812 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.750 ppm2      6.980 CV     1
 OR { 1812}
   (  segid "    " and resid 11   and name HD1%)
   (( segid "    " and resid 11   and name HN  ))
 ASSI { 1813}
   (  segid "    " and resid 11   and name HD2%)
   (( segid "    " and resid 10   and name HD22))
      6.000     4.500     0.000 peak  1813 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.748 ppm2      6.839 CV     1
 OR { 1813}
   (  segid "    " and resid 11   and name HD1%)
   (( segid "    " and resid 10   and name HD22))
 ASSI { 1819}
   (  segid "    " and resid 65   and name HB% )
   (( segid "    " and resid 67   and name HN  ))
      6.000     4.500     0.000 peak  1819 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.457 ppm2      8.733 CV     1
 ASSI { 1820}
   (  segid "    " and resid 65   and name HB% )
   (( segid "    " and resid 65   and name HN  ))
      6.000     4.500     0.000 peak  1820 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.461 ppm2      8.401 CV     1
 ASSI { 1823}
   (  segid "    " and resid 65   and name HB% )
   (( segid "    " and resid 68   and name HN  ))
      6.000     4.500     0.000 peak  1823 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.457 ppm2      6.882 CV     1
 ASSI { 1826}
   (  segid "    " and resid 5    and name HG2%)
   (( segid "    " and resid 5    and name HN  ))
      6.000     4.500     0.000 peak  1826 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.862 ppm2      9.506 CV     1
 ASSI { 1830}
   (  segid "    " and resid 76   and name HG2%)
   (( segid "    " and resid 80   and name HE22))
      6.000     4.500     0.000 peak  1830 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.826 ppm2      7.434 CV     1
 ASSI { 1832}
   (  segid "    " and resid 33   and name HG2%)
   (( segid "    " and resid 34   and name HN  ))
      6.000     4.500     0.000 peak  1832 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.780 ppm2      9.180 CV     1
 ASSI { 1833}
   (  segid "    " and resid 33   and name HG2%)
   (( segid "    " and resid 59   and name HN  ))
      6.000     4.500     0.000 peak  1833 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.780 ppm2      8.535 CV     1
 ASSI { 1834}
   (  segid "    " and resid 33   and name HG2%)
   (( segid "    " and resid 36   and name HN  ))
      6.000     4.500     0.000 peak  1834 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.780 ppm2      8.301 CV     1
 ASSI { 1835}
   (  segid "    " and resid 33   and name HG2%)
   (( segid "    " and resid 35   and name HN  ))
      6.000     4.500     0.000 peak  1835 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.779 ppm2      7.339 CV     1
 ASSI { 1846}
   (  segid "    " and resid 20   and name HB% )
   (( segid "    " and resid 21   and name HN  ))
      6.000     4.500     0.000 peak  1846 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.452 ppm2      8.478 CV     1
 ASSI { 1847}
   (  segid "    " and resid 20   and name HB% )
   (( segid "    " and resid 20   and name HN  ))
      6.000     4.500     0.000 peak  1847 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.452 ppm2      8.139 CV     1
 ASSI { 1854}
   (  segid "    " and resid 12   and name HB% )
   (( segid "    " and resid 12   and name HN  ))
      6.000     4.500     0.000 peak  1854 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.251 ppm2      8.157 CV     1
 ASSI { 1855}
   (  segid "    " and resid 12   and name HB% )
   (( segid "    " and resid 17   and name HE21))
      6.000     4.500     0.000 peak  1855 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.249 ppm2      7.720 CV     1
 ASSI { 1856}
   (  segid "    " and resid 12   and name HB% )
   (( segid "    " and resid 17   and name HE22))
      6.000     4.500     0.000 peak  1856 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.249 ppm2      6.852 CV     1
 ASSI { 1858}
   (  segid "    " and resid 151  and name HB% )
   (( segid "    " and resid 150  and name HN  ))
      6.000     4.500     0.000 peak  1858 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.205 ppm2      7.838 CV     1
 ASSI { 1859}
   (  segid "    " and resid 151  and name HB% )
   (( segid "    " and resid 151  and name HN  ))
      6.000     4.500     0.000 peak  1859 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.209 ppm2      7.525 CV     1
 ASSI { 1869}
   (  segid "    " and resid 131  and name HD1%)
   (( segid "    " and resid 59   and name HN  ))
      6.000     4.500     0.000 peak  1869 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.886 ppm2      8.533 CV     1
 ASSI { 1870}
   (  segid "    " and resid 131  and name HD1%)
   (( segid "    " and resid 132  and name HN  ))
      6.000     4.500     0.000 peak  1870 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.887 ppm2      8.315 CV     1
 ASSI { 1872}
   (  segid "    " and resid 131  and name HD1%)
   (  segid "    " and resid 4    and name HD% )
      6.000     4.500     0.000 peak  1872 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.885 ppm2      6.838 CV     1
 ASSI { 1874}
   (  segid "    " and resid 131  and name HD1%)
   (( segid "    " and resid 57   and name HA  ))
      6.000     4.500     0.000 peak  1874 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.886 ppm2      5.660 CV     1
 ASSI { 1877}
   (  segid "    " and resid 28   and name HD1%)
   (( segid "    " and resid 27   and name HN  ))
      6.000     4.500     0.000 peak  1877 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.821 ppm2      7.323 CV     1
 ASSI { 1879}
   (  segid "    " and resid 28   and name HD1%)
   (( segid "    " and resid 28   and name HN  ))
      6.000     4.500     0.000 peak  1879 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.813 ppm2      7.173 CV     1
 ASSI { 1880}
   (  segid "    " and resid 7    and name HD1%)
   (( segid "    " and resid 7    and name HN  ))
      6.000     4.500     0.000 peak  1880 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.684 ppm2      8.979 CV     1
 ASSI { 1888}
   (  segid "    " and resid 7    and name HD1%)
   (( segid "    " and resid 58   and name HN  ))
      6.000     4.500     0.000 peak  1888 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.687 ppm2      9.096 CV     1
 ASSI { 1893}
   (  segid "    " and resid 106  and name HD1%)
   (( segid "    " and resid 67   and name HN  ))
      6.000     4.500     0.000 peak  1893 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.648 ppm2      8.730 CV     1
 ASSI { 1900}
   (  segid "    " and resid 33   and name HD1%)
   (( segid "    " and resid 26   and name HN  ))
      6.000     4.500     0.000 peak  1900 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.913 ppm2      7.498 CV     1
 ASSI { 1902}
   (  segid "    " and resid 98   and name HG2%)
   (( segid "    " and resid 99   and name HN  ))
      6.000     4.500     0.000 peak  1902 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.821 ppm2      9.596 CV     1
 ASSI { 1905}
   (  segid "    " and resid 98   and name HG2%)
   (  segid "    " and resid 101  and name HD% )
      6.000     4.500     0.000 peak  1905 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.816 ppm2      7.049 CV     1
 ASSI { 1907}
   (( segid "    " and resid 112  and name HB  ))
   (  segid "    " and resid 112  and name HG2%)
      6.000     4.500     0.000 peak  1907 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.375 ppm2      1.469 CV     1
 ASSI { 1909}
   (( segid "    " and resid 62   and name HB  ))
   (( segid "    " and resid 64   and name HB1 ))
      6.000     4.500     0.000 peak  1909 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.833 ppm2      1.506 CV     1
 ASSI { 1911}
   (( segid "    " and resid 62   and name HB  ))
   (  segid "    " and resid 62   and name HG2%)
      6.000     4.500     0.000 peak  1911 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.835 ppm2      1.110 CV     1
 ASSI { 1912}
   (( segid "    " and resid 62   and name HB  ))
   (  segid "    " and resid 60   and name HD1%)
      6.000     4.500     0.000 peak  1912 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.834 ppm2      0.734 CV     1
 ASSI { 1915}
   (( segid "    " and resid 35   and name HB  ))
   (( segid "    " and resid 131  and name HB  ))
      6.000     4.500     0.000 peak  1915 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.120 ppm2      2.146 CV     1
 ASSI { 1919}
   (( segid "    " and resid 35   and name HB  ))
   (  segid "    " and resid 35   and name HG2%)
      6.000     4.500     0.000 peak  1919 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.122 ppm2      1.272 CV     1
 ASSI { 1923}
   (( segid "    " and resid 149  and name HB  ))
   (( segid "    " and resid 149  and name HA  ))
      6.000     4.500     0.000 peak  1923 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.197 ppm2      4.035 CV     1
 ASSI { 1925}
   (( segid "    " and resid 149  and name HB  ))
   (( segid "    " and resid 150  and name HG2 ))
      6.000     4.500     0.000 peak  1925 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.200 ppm2      1.433 CV     1
 ASSI { 1926}
   (( segid "    " and resid 149  and name HB  ))
   (  segid "    " and resid 149  and name HG2%)
      6.000     4.500     0.000 peak  1926 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.197 ppm2      1.275 CV     1
 ASSI { 1928}
   (( segid "    " and resid 1    and name HB  ))
   (( segid "    " and resid 1    and name HG21))
      6.000     4.500     0.000 peak  1928 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.555 ppm2      0.558 CV     1
 ASSI { 1929}
   (( segid "    " and resid 1    and name HB  ))
   (  segid "    " and resid 62   and name HG2%)
      6.000     4.500     0.000 peak  1929 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.551 ppm2      1.112 CV     1
 ASSI { 1930}
   (( segid "    " and resid 42   and name HB  ))
   (( segid "    " and resid 43   and name HD2 ))
      6.000     4.500     0.000 peak  1930 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.376 ppm2      3.828 CV     1
 OR { 1930}
   (( segid "    " and resid 42   and name HB  ))
   (( segid "    " and resid 43   and name HD1 ))
 ASSI { 1931}
   (( segid "    " and resid 42   and name HB  ))
   (  segid "    " and resid 42   and name HG2%)
      6.000     4.500     0.000 peak  1931 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.376 ppm2      1.442 CV     1
 ASSI { 1932}
   (( segid "    " and resid 93   and name HB  ))
   (( segid "    " and resid 17   and name HG1 ))
      6.000     4.500     0.000 peak  1932 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.123 ppm2      2.641 CV     1
 ASSI { 1933}
   (( segid "    " and resid 93   and name HB  ))
   (  segid "    " and resid 93   and name HG2%)
      6.000     4.500     0.000 peak  1933 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.120 ppm2      1.217 CV     1
 ASSI { 1937}
   (( segid "    " and resid 31   and name HB1 ))
   (( segid "    " and resid 62   and name HB  ))
      6.000     4.500     0.000 peak  1937 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.598 ppm2      3.835 CV     1
 OR { 1937}
   (( segid "    " and resid 31   and name HB2 ))
   (( segid "    " and resid 62   and name HB  ))
 ASSI { 1938}
   (( segid "    " and resid 31   and name HB1 ))
   (( segid "    " and resid 60   and name HG  ))
      6.000     4.500     0.000 peak  1938 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.594 ppm2      1.291 CV     1
 OR { 1938}
   (( segid "    " and resid 31   and name HB2 ))
   (( segid "    " and resid 60   and name HG  ))
 ASSI { 1939}
   (( segid "    " and resid 31   and name HB1 ))
   (  segid "    " and resid 62   and name HG2%)
      6.000     4.500     0.000 peak  1939 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.588 ppm2      1.101 CV     1
 OR { 1939}
   (( segid "    " and resid 31   and name HB2 ))
   (  segid "    " and resid 62   and name HG2%)
 ASSI { 1940}
   (( segid "    " and resid 31   and name HB1 ))
   (  segid "    " and resid 60   and name HD2%)
      6.000     4.500     0.000 peak  1940 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.591 ppm2      0.705 CV     1
 OR { 1940}
   (( segid "    " and resid 31   and name HB2 ))
   (  segid "    " and resid 60   and name HD2%)
 ASSI { 1944}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 21   and name HA  ))
      6.000     4.500     0.000 peak  1944 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.431 ppm2      4.131 CV     1
 ASSI { 1949}
   (( segid "    " and resid 18   and name HA  ))
   (  segid "    " and resid 18   and name HG1%)
      6.000     4.500     0.000 peak  1949 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.432 ppm2      0.641 CV     1
 ASSI { 1950}
   (( segid "    " and resid 18   and name HA  ))
   (  segid "    " and resid 18   and name HG2%)
      6.000     4.500     0.000 peak  1950 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.431 ppm2      0.237 CV     1
 ASSI { 1951}
   (( segid "    " and resid 73   and name HB  ))
   (( segid "    " and resid 73   and name HA  ))
      6.000     4.500     0.000 peak  1951 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.960 ppm2      4.320 CV     1
 ASSI { 1954}
   (( segid "    " and resid 73   and name HB  ))
   (  segid "    " and resid 73   and name HG2%)
      6.000     4.500     0.000 peak  1954 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.964 ppm2      1.092 CV     1
 ASSI { 1958}
   (( segid "    " and resid 73   and name HA  ))
   (  segid "    " and resid 73   and name HG2%)
      6.000     4.500     0.000 peak  1958 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.311 ppm2      1.089 CV     1
 ASSI { 1967}
   (( segid "    " and resid 66   and name HA  ))
   (( segid "    " and resid 66   and name HG2 ))
      6.000     4.500     0.000 peak  1967 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.363 ppm2      1.740 CV     1
 ASSI { 1968}
   (( segid "    " and resid 66   and name HA  ))
   (  segid "    " and resid 65   and name HB% )
      6.000     4.500     0.000 peak  1968 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.362 ppm2      1.443 CV     1
 ASSI { 1974}
   (( segid "    " and resid 66   and name HA  ))
   (( segid "    " and resid 66   and name HB2 ))
      6.000     4.500     0.000 peak  1974 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.360 ppm2      1.290 CV     1
 ASSI { 1975}
   (( segid "    " and resid 66   and name HA  ))
   (( segid "    " and resid 66   and name HG1 ))
      6.000     4.500     0.000 peak  1975 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.362 ppm2      0.782 CV     1
 ASSI { 1976}
   (( segid "    " and resid 66   and name HA  ))
   (( segid "    " and resid 66   and name HB1 ))
      6.000     4.500     0.000 peak  1976 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.360 ppm2      0.557 CV     1
 ASSI { 1977}
   (( segid "    " and resid 66   and name HA  ))
   (( segid "    " and resid 69   and name HG  ))
      6.000     4.500     0.000 peak  1977 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.357 ppm2      1.611 CV     1
 ASSI { 1979}
   (( segid "    " and resid 127  and name HA  ))
   (( segid "    " and resid 127  and name HG1 ))
      6.000     4.500     0.000 peak  1979 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.548 ppm2      1.559 CV     1
 ASSI { 1980}
   (( segid "    " and resid 127  and name HA  ))
   (( segid "    " and resid 127  and name HB1 ))
      6.000     4.500     0.000 peak  1980 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.540 ppm2      2.700 CV     1
 ASSI { 1981}
   (( segid "    " and resid 138  and name HA  ))
   (( segid "    " and resid 138  and name HD1 ))
      6.000     4.500     0.000 peak  1981 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.501 ppm2      4.039 CV     1
 OR { 1981}
   (( segid "    " and resid 138  and name HA  ))
   (( segid "    " and resid 138  and name HD2 ))
 ASSI { 1983}
   (( segid "    " and resid 37   and name HB2 ))
   (( segid "    " and resid 37   and name HA  ))
      6.000     4.500     0.000 peak  1983 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.089 ppm2      4.266 CV     1
 ASSI { 1985}
   (( segid "    " and resid 37   and name HB2 ))
   (( segid "    " and resid 127  and name HB1 ))
      6.000     4.500     0.000 peak  1985 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.084 ppm2      2.681 CV     1
 ASSI { 1986}
   (( segid "    " and resid 37   and name HB2 ))
   (  segid "    " and resid 131  and name HG2%)
      6.000     4.500     0.000 peak  1986 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.083 ppm2      0.852 CV     1
 ASSI { 1987}
   (( segid "    " and resid 9    and name HB1 ))
   (( segid "    " and resid 14   and name HB1 ))
      6.000     4.500     0.000 peak  1987 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.894 ppm2      1.889 CV     1
 ASSI { 1988}
   (( segid "    " and resid 9    and name HB1 ))
   (( segid "    " and resid 9    and name HB2 ))
      6.000     4.500     0.000 peak  1988 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.880 ppm2      3.095 CV     1
 ASSI { 1989}
   (( segid "    " and resid 9    and name HB1 ))
   (( segid "    " and resid 17   and name HB2 ))
      6.000     4.500     0.000 peak  1989 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.874 ppm2      2.161 CV     1
 OR { 1989}
   (( segid "    " and resid 9    and name HB1 ))
   (( segid "    " and resid 17   and name HB1 ))
 ASSI { 1990}
   (( segid "    " and resid 9    and name HB1 ))
   (  segid "    " and resid 94   and name HD1%)
      6.000     4.500     0.000 peak  1990 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.874 ppm2      0.872 CV     1
 OR { 1990}
   (( segid "    " and resid 9    and name HB1 ))
   (  segid "    " and resid 94   and name HD2%)
 ASSI { 1992}
   (( segid "    " and resid 9    and name HB1 ))
   (( segid "    " and resid 9    and name HA  ))
      6.000     4.500     0.000 peak  1992 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.864 ppm2      4.154 CV     1
 ASSI { 1994}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 79   and name HG1 ))
      6.000     4.500     0.000 peak  1994 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.596 ppm2      2.667 CV     1
 ASSI { 1995}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 75   and name HB1 ))
      6.000     4.500     0.000 peak  1995 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.599 ppm2      2.314 CV     1
 ASSI { 1996}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 76   and name HG11))
      6.000     4.500     0.000 peak  1996 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.599 ppm2      2.121 CV     1
 OR { 1996}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 76   and name HG12))
 ASSI { 1997}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 76   and name HB  ))
      6.000     4.500     0.000 peak  1997 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.598 ppm2      1.851 CV     1
 ASSI { 2001}
   (( segid "    " and resid 9    and name HB2 ))
   (( segid "    " and resid 9    and name HA  ))
      6.000     4.500     0.000 peak  2001 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.100 ppm2      4.159 CV     1
 ASSI { 2002}
   (( segid "    " and resid 9    and name HB2 ))
   (( segid "    " and resid 17   and name HG1 ))
      6.000     4.500     0.000 peak  2002 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.106 ppm2      2.604 CV     1
 OR { 2002}
   (( segid "    " and resid 9    and name HB2 ))
   (( segid "    " and resid 17   and name HG2 ))
 ASSI { 2003}
   (( segid "    " and resid 9    and name HB2 ))
   (  segid "    " and resid 94   and name HD1%)
      6.000     4.500     0.000 peak  2003 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.103 ppm2      0.888 CV     1
 OR { 2003}
   (( segid "    " and resid 9    and name HB2 ))
   (  segid "    " and resid 94   and name HD2%)
 ASSI { 2004}
   (( segid "    " and resid 9    and name HB2 ))
   (  segid "    " and resid 18   and name HG2%)
      6.000     4.500     0.000 peak  2004 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.101 ppm2      0.242 CV     1
 ASSI { 2006}
   (( segid "    " and resid 9    and name HB2 ))
   (( segid "    " and resid 17   and name HB2 ))
      6.000     4.500     0.000 peak  2006 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.091 ppm2      2.168 CV     1
 OR { 2006}
   (( segid "    " and resid 9    and name HB2 ))
   (( segid "    " and resid 17   and name HB1 ))
 ASSI { 2007}
   (( segid "    " and resid 9    and name HB2 ))
   (( segid "    " and resid 14   and name HB1 ))
      6.000     4.500     0.000 peak  2007 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.096 ppm2      1.889 CV     1
 ASSI { 2009}
   (( segid "    " and resid 9    and name HB2 ))
   (( segid "    " and resid 14   and name HB2 ))
      6.000     4.500     0.000 peak  2009 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.096 ppm2      1.161 CV     1
 ASSI { 2012}
   (( segid "    " and resid 138  and name HA  ))
   (( segid "    " and resid 138  and name HB1 ))
      6.000     4.500     0.000 peak  2012 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.497 ppm2      2.413 CV     1
 ASSI { 2013}
   (( segid "    " and resid 138  and name HA  ))
   (( segid "    " and resid 138  and name HG1 ))
      6.000     4.500     0.000 peak  2013 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.497 ppm2      1.996 CV     1
 OR { 2013}
   (( segid "    " and resid 138  and name HA  ))
   (( segid "    " and resid 138  and name HG2 ))
 ASSI { 2014}
   (( segid "    " and resid 138  and name HA  ))
   (( segid "    " and resid 138  and name HB2 ))
      6.000     4.500     0.000 peak  2014 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.496 ppm2      1.844 CV     1
 ASSI { 2015}
   (( segid "    " and resid 146  and name HA  ))
   (( segid "    " and resid 145  and name HG2 ))
      6.000     4.500     0.000 peak  2015 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.667 ppm2      2.485 CV     1
 ASSI { 2016}
   (( segid "    " and resid 146  and name HA  ))
   (( segid "    " and resid 149  and name HB  ))
      6.000     4.500     0.000 peak  2016 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.657 ppm2      4.202 CV     1
 ASSI { 2017}
   (( segid "    " and resid 146  and name HA  ))
   (( segid "    " and resid 146  and name HB  ))
      6.000     4.500     0.000 peak  2017 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.655 ppm2      1.795 CV     1
 ASSI { 2018}
   (( segid "    " and resid 146  and name HA  ))
   (( segid "    " and resid 146  and name HG12))
      6.000     4.500     0.000 peak  2018 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.656 ppm2      1.602 CV     1
 ASSI { 2020}
   (( segid "    " and resid 146  and name HA  ))
   (( segid "    " and resid 146  and name HG11))
      6.000     4.500     0.000 peak  2020 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.654 ppm2      0.978 CV     1
 ASSI { 2021}
   (( segid "    " and resid 146  and name HA  ))
   (  segid "    " and resid 146  and name HG2%)
      6.000     4.500     0.000 peak  2021 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.654 ppm2      0.748 CV     1
 ASSI { 2023}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 14   and name HG1 ))
      6.000     4.500     0.000 peak  2023 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.315 ppm2      1.434 CV     1
 ASSI { 2024}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 14   and name HB2 ))
      6.000     4.500     0.000 peak  2024 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.316 ppm2      1.145 CV     1
 ASSI { 2026}
   (( segid "    " and resid 146  and name HA  ))
   (( segid "    " and resid 119  and name HA  ))
      6.000     4.500     0.000 peak  2026 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.650 ppm2      3.790 CV     1
 ASSI { 2028}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 14   and name HD2 ))
      6.000     4.500     0.000 peak  2028 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.328 ppm2      3.716 CV     1
 ASSI { 2029}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 17   and name HG1 ))
      6.000     4.500     0.000 peak  2029 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.326 ppm2      2.648 CV     1
 OR { 2029}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 17   and name HG2 ))
 ASSI { 2030}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 9    and name HB1 ))
      6.000     4.500     0.000 peak  2030 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.317 ppm2      3.884 CV     1
 ASSI { 2031}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 9    and name HB2 ))
      6.000     4.500     0.000 peak  2031 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.314 ppm2      3.087 CV     1
 ASSI { 2032}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 14   and name HB1 ))
      6.000     4.500     0.000 peak  2032 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.314 ppm2      1.873 CV     1
 ASSI { 2033}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 54   and name HB2 ))
      6.000     4.500     0.000 peak  2033 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.316 ppm2      0.957 CV     1
 ASSI { 2035}
   (( segid "    " and resid 133  and name HA  ))
   (( segid "    " and resid 129  and name HA  ))
      6.000     4.500     0.000 peak  2035 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.121 ppm2      3.871 CV     1
 ASSI { 2036}
   (( segid "    " and resid 133  and name HA  ))
   (( segid "    " and resid 133  and name HD1 ))
      6.000     4.500     0.000 peak  2036 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.122 ppm2      3.445 CV     1
 ASSI { 2038}
   (( segid "    " and resid 133  and name HA  ))
   (( segid "    " and resid 133  and name HB2 ))
      6.000     4.500     0.000 peak  2038 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.120 ppm2      1.601 CV     1
 ASSI { 2040}
   (( segid "    " and resid 133  and name HA  ))
   (( segid "    " and resid 143  and name HG  ))
      6.000     4.500     0.000 peak  2040 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.121 ppm2      0.981 CV     1
 ASSI { 2044}
   (( segid "    " and resid 149  and name HA  ))
   (( segid "    " and resid 150  and name HG2 ))
      6.000     4.500     0.000 peak  2044 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.030 ppm2      1.431 CV     1
 ASSI { 2045}
   (( segid "    " and resid 149  and name HA  ))
   (  segid "    " and resid 149  and name HG2%)
      6.000     4.500     0.000 peak  2045 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.022 ppm2      1.279 CV     1
 ASSI { 2051}
   (( segid "    " and resid 133  and name HA  ))
   (( segid "    " and resid 133  and name HD2 ))
      6.000     4.500     0.000 peak  2051 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.123 ppm2      3.126 CV     1
 ASSI { 2052}
   (( segid "    " and resid 63   and name HB2 ))
   (( segid "    " and resid 30   and name HB1 ))
      6.000     4.500     0.000 peak  2052 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.099 ppm2      2.418 CV     1
 OR { 2052}
   (( segid "    " and resid 63   and name HB1 ))
   (( segid "    " and resid 30   and name HB1 ))
 ASSI { 2055}
   (( segid "    " and resid 93   and name HA  ))
   (( segid "    " and resid 10   and name HB1 ))
      6.000     4.500     0.000 peak  2055 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.047 ppm2      2.417 CV     1
 ASSI { 2057}
   (( segid "    " and resid 47   and name HA  ))
   (( segid "    " and resid 47   and name HB1 ))
      6.000     4.500     0.000 peak  2057 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.479 ppm2      2.448 CV     1
 ASSI { 2059}
   (( segid "    " and resid 47   and name HA  ))
   (( segid "    " and resid 47   and name HG1 ))
      6.000     4.500     0.000 peak  2059 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.477 ppm2      2.019 CV     1
 ASSI { 2060}
   (( segid "    " and resid 98   and name HA  ))
   (( segid "    " and resid 98   and name HG12))
      6.000     4.500     0.000 peak  2060 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.176 ppm2      0.985 CV     1
 ASSI { 2061}
   (( segid "    " and resid 98   and name HA  ))
   (  segid "    " and resid 98   and name HG2%)
      6.000     4.500     0.000 peak  2061 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.173 ppm2      0.846 CV     1
 ASSI { 2064}
   (( segid "    " and resid 63   and name HB2 ))
   (( segid "    " and resid 30   and name HB2 ))
      6.000     4.500     0.000 peak  2064 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.096 ppm2      2.008 CV     1
 OR { 2064}
   (( segid "    " and resid 63   and name HB1 ))
   (( segid "    " and resid 30   and name HB2 ))
 ASSI { 2065}
   (( segid "    " and resid 63   and name HB2 ))
   (( segid "    " and resid 64   and name HB1 ))
      6.000     4.500     0.000 peak  2065 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.066 ppm2      1.498 CV     1
 OR { 2065}
   (( segid "    " and resid 63   and name HB1 ))
   (( segid "    " and resid 64   and name HB1 ))
 ASSI { 2067}
   (( segid "    " and resid 93   and name HA  ))
   (( segid "    " and resid 9    and name HB1 ))
      6.000     4.500     0.000 peak  2067 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.041 ppm2      3.907 CV     1
 ASSI { 2068}
   (( segid "    " and resid 93   and name HA  ))
   (( segid "    " and resid 92   and name HD1 ))
      6.000     4.500     0.000 peak  2068 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.033 ppm2      3.554 CV     1
 ASSI { 2069}
   (( segid "    " and resid 93   and name HA  ))
   (( segid "    " and resid 17   and name HG1 ))
      6.000     4.500     0.000 peak  2069 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.027 ppm2      2.642 CV     1
 ASSI { 2070}
   (( segid "    " and resid 93   and name HA  ))
   (  segid "    " and resid 11   and name HD1%)
      6.000     4.500     0.000 peak  2070 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.030 ppm2      0.731 CV     1
 OR { 2070}
   (( segid "    " and resid 93   and name HA  ))
   (  segid "    " and resid 11   and name HD2%)
 ASSI { 2071}
   (( segid "    " and resid 93   and name HA  ))
   (  segid "    " and resid 93   and name HG2%)
      6.000     4.500     0.000 peak  2071 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.014 ppm2      1.221 CV     1
 ASSI { 2072}
   (( segid "    " and resid 93   and name HA  ))
   (( segid "    " and resid 11   and name HB1 ))
      6.000     4.500     0.000 peak  2072 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.019 ppm2      0.959 CV     1
 ASSI { 2074}
   (( segid "    " and resid 29   and name HA  ))
   (( segid "    " and resid 30   and name HA  ))
      6.000     4.500     0.000 peak  2074 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.344 ppm2      3.921 CV     1
 ASSI { 2075}
   (( segid "    " and resid 29   and name HA  ))
   (( segid "    " and resid 29   and name HD1 ))
      6.000     4.500     0.000 peak  2075 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.343 ppm2      3.662 CV     1
 ASSI { 2076}
   (( segid "    " and resid 29   and name HA  ))
   (( segid "    " and resid 29   and name HB2 ))
      6.000     4.500     0.000 peak  2076 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.341 ppm2      2.397 CV     1
 ASSI { 2077}
   (( segid "    " and resid 29   and name HA  ))
   (( segid "    " and resid 29   and name HG2 ))
      6.000     4.500     0.000 peak  2077 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.341 ppm2      2.064 CV     1
 ASSI { 2078}
   (( segid "    " and resid 29   and name HA  ))
   (( segid "    " and resid 29   and name HB1 ))
      6.000     4.500     0.000 peak  2078 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.342 ppm2      1.908 CV     1
 ASSI { 2079}
   (( segid "    " and resid 98   and name HA  ))
   (( segid "    " and resid 99   and name HB2 ))
      6.000     4.500     0.000 peak  2079 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.207 ppm2      2.159 CV     1
 ASSI { 2080}
   (( segid "    " and resid 44   and name HA  ))
   (( segid "    " and resid 44   and name HB1 ))
      6.000     4.500     0.000 peak  2080 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.209 ppm2      1.930 CV     1
 OR { 2080}
   (( segid "    " and resid 44   and name HA  ))
   (( segid "    " and resid 44   and name HB2 ))
 ASSI { 2081}
   (( segid "    " and resid 98   and name HA  ))
   (( segid "    " and resid 5    and name HG12))
      6.000     4.500     0.000 peak  2081 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.198 ppm2      1.593 CV     1
 OR { 2081}
   (( segid "    " and resid 98   and name HA  ))
   (( segid "    " and resid 5    and name HG11))
 ASSI { 2087}
   (( segid "    " and resid 2    and name HA  ))
   (  segid "    " and resid 3    and name HB% )
      6.000     4.500     0.000 peak  2087 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.233 ppm2      1.238 CV     1
 ASSI { 2088}
   (( segid "    " and resid 2    and name HA  ))
   (  segid "    " and resid 2    and name HG1%)
      6.000     4.500     0.000 peak  2088 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.231 ppm2      0.777 CV     1
 ASSI { 2089}
   (( segid "    " and resid 2    and name HA  ))
   (  segid "    " and resid 2    and name HG2%)
      6.000     4.500     0.000 peak  2089 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.231 ppm2      0.131 CV     1
 ASSI { 2090}
   (( segid "    " and resid 2    and name HA  ))
   (( segid "    " and resid 2    and name HB  ))
      6.000     4.500     0.000 peak  2090 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.226 ppm2      1.761 CV     1
 ASSI { 2091}
   (( segid "    " and resid 33   and name HA  ))
   (  segid "    " and resid 58   and name HG2%)
      6.000     4.500     0.000 peak  2091 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.895 ppm2      1.004 CV     1
 OR { 2091}
   (( segid "    " and resid 33   and name HA  ))
   (  segid "    " and resid 58   and name HG1%)
 ASSI { 2092}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 51   and name HB1 ))
      6.000     4.500     0.000 peak  2092 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.456 ppm2      2.446 CV     1
 ASSI { 2093}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 51   and name HB2 ))
      6.000     4.500     0.000 peak  2093 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.451 ppm2      2.146 CV     1
 OR { 2093}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 51   and name HG2 ))
 ASSI { 2094}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 51   and name HG1 ))
      6.000     4.500     0.000 peak  2094 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.450 ppm2      1.872 CV     1
 ASSI { 2096}
   (( segid "    " and resid 1    and name HA  ))
   (( segid "    " and resid 2    and name HB  ))
      6.000     4.500     0.000 peak  2096 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.637 ppm2      1.763 CV     1
 ASSI { 2097}
   (( segid "    " and resid 1    and name HA  ))
   (  segid "    " and resid 2    and name HG1%)
      6.000     6.000     0.000 peak  2097 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.637 ppm2      0.785 CV     1
 ASSI { 2098}
   (( segid "    " and resid 1    and name HA  ))
   (( segid "    " and resid 1    and name HG21))
      6.000     4.500     0.000 peak  2098 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.638 ppm2      0.558 CV     1
 ASSI { 2100}
   (( segid "    " and resid 83   and name HA  ))
   (  segid "    " and resid 83   and name HG1%)
      6.000     4.500     0.000 peak  2100 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.271 ppm2      0.980 CV     1
 OR { 2100}
   (( segid "    " and resid 83   and name HA  ))
   (  segid "    " and resid 83   and name HG2%)
 ASSI { 2101}
   (( segid "    " and resid 158  and name HA  ))
   (( segid "    " and resid 158  and name HB2 ))
      6.000     4.500     0.000 peak  2101 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.974 ppm2      3.064 CV     1
 ASSI { 2102}
   (( segid "    " and resid 158  and name HA  ))
   (( segid "    " and resid 41   and name HB2 ))
      6.000     4.500     0.000 peak  2102 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.972 ppm2      1.738 CV     1
 OR { 2102}
   (( segid "    " and resid 158  and name HA  ))
   (( segid "    " and resid 41   and name HB1 ))
 ASSI { 2103}
   (( segid "    " and resid 158  and name HA  ))
   (( segid "    " and resid 41   and name HG1 ))
      6.000     4.500     0.000 peak  2103 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.977 ppm2      1.296 CV     1
 ASSI { 2104}
   (( segid "    " and resid 158  and name HA  ))
   (( segid "    " and resid 158  and name HB1 ))
      6.000     4.500     0.000 peak  2104 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.966 ppm2      2.783 CV     1
 ASSI { 2105}
   (( segid "    " and resid 38   and name HB1 ))
   (( segid "    " and resid 157  and name HE2 ))
      6.000     4.500     0.000 peak  2105 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.739 ppm2      2.968 CV     1
 OR { 2105}
   (( segid "    " and resid 38   and name HB1 ))
   (( segid "    " and resid 157  and name HE1 ))
 ASSI { 2106}
   (( segid "    " and resid 38   and name HB1 ))
   (( segid "    " and resid 37   and name HA  ))
      6.000     4.500     0.000 peak  2106 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.732 ppm2      4.270 CV     1
 ASSI { 2108}
   (( segid "    " and resid 38   and name HB2 ))
   (( segid "    " and resid 37   and name HA  ))
      6.000     4.500     0.000 peak  2108 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.537 ppm2      4.269 CV     1
 ASSI { 2109}
   (( segid "    " and resid 38   and name HB2 ))
   (( segid "    " and resid 38   and name HB1 ))
      6.000     4.500     0.000 peak  2109 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.535 ppm2      3.735 CV     1
 ASSI { 2110}
   (( segid "    " and resid 38   and name HB2 ))
   (( segid "    " and resid 157  and name HE2 ))
      6.000     4.500     0.000 peak  2110 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.535 ppm2      2.976 CV     1
 OR { 2110}
   (( segid "    " and resid 38   and name HB2 ))
   (( segid "    " and resid 157  and name HE1 ))
 ASSI { 2111}
   (( segid "    " and resid 38   and name HB2 ))
   (( segid "    " and resid 157  and name HG1 ))
      6.000     4.500     0.000 peak  2111 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.534 ppm2      1.624 CV     1
 ASSI { 2112}
   (( segid "    " and resid 13   and name HB1 ))
   (( segid "    " and resid 13   and name HB2 ))
      6.000     4.500     0.000 peak  2112 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.415 ppm2      4.149 CV     1
 ASSI { 2113}
   (( segid "    " and resid 13   and name HB1 ))
   (( segid "    " and resid 14   and name HD2 ))
      6.000     4.500     0.000 peak  2113 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.417 ppm2      3.703 CV     1
 ASSI { 2115}
   (( segid "    " and resid 13   and name HB1 ))
   (( segid "    " and resid 14   and name HD1 ))
      6.000     4.500     0.000 peak  2115 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.409 ppm2      3.613 CV     1
 ASSI { 2117}
   (( segid "    " and resid 13   and name HB1 ))
   (( segid "    " and resid 16   and name HB1 ))
      6.000     4.500     0.000 peak  2117 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.411 ppm2      2.159 CV     1
 ASSI { 2120}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 72   and name HB1 ))
      6.000     4.500     0.000 peak  2120 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.398 ppm2      3.458 CV     1
 ASSI { 2121}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 72   and name HB2 ))
      6.000     4.500     0.000 peak  2121 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.397 ppm2      2.957 CV     1
 ASSI { 2122}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 75   and name HG2 ))
      6.000     4.500     0.000 peak  2122 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.394 ppm2      1.584 CV     1
 ASSI { 2123}
   (( segid "    " and resid 83   and name HA  ))
   (( segid "    " and resid 82   and name HA  ))
      6.000     4.500     0.000 peak  2123 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.275 ppm2      4.406 CV     1
 ASSI { 2124}
   (( segid "    " and resid 83   and name HA  ))
   (( segid "    " and resid 83   and name HB  ))
      6.000     4.500     0.000 peak  2124 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.273 ppm2      2.117 CV     1
 ASSI { 2127}
   (( segid "    " and resid 13   and name HB2 ))
   (( segid "    " and resid 14   and name HD2 ))
      6.000     4.500     0.000 peak  2127 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.156 ppm2      3.723 CV     1
 ASSI { 2129}
   (( segid "    " and resid 13   and name HB2 ))
   (( segid "    " and resid 16   and name HB2 ))
      6.000     4.500     0.000 peak  2129 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.158 ppm2      2.313 CV     1
 ASSI { 2130}
   (( segid "    " and resid 13   and name HB2 ))
   (( segid "    " and resid 16   and name HB1 ))
      6.000     4.500     0.000 peak  2130 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.158 ppm2      2.166 CV     1
 ASSI { 2133}
   (( segid "    " and resid 136  and name HA  ))
   (  segid "    " and resid 136  and name HG2%)
      6.000     4.500     0.000 peak  2133 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.522 ppm2      1.034 CV     1
 OR { 2133}
   (( segid "    " and resid 136  and name HA  ))
   (  segid "    " and resid 136  and name HG1%)
 ASSI { 2134}
   (( segid "    " and resid 136  and name HA  ))
   (( segid "    " and resid 136  and name HB  ))
      6.000     4.500     0.000 peak  2134 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.515 ppm2      1.959 CV     1
 ASSI { 2136}
   (( segid "    " and resid 131  and name HA  ))
   (  segid "    " and resid 131  and name HG2%)
      6.000     4.500     0.000 peak  2136 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.505 ppm2      0.845 CV     1
 ASSI { 2137}
   (( segid "    " and resid 131  and name HA  ))
   (( segid "    " and resid 131  and name HB  ))
      6.000     4.500     0.000 peak  2137 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.500 ppm2      2.155 CV     1
 ASSI { 2140}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 29   and name HD2 ))
      6.000     4.500     0.000 peak  2140 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.785 ppm2      2.756 CV     1
 ASSI { 2141}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 29   and name HG2 ))
      6.000     4.500     0.000 peak  2141 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.785 ppm2      2.059 CV     1
 ASSI { 2142}
   (( segid "    " and resid 28   and name HA  ))
   (  segid "    " and resid 28   and name HG2%)
      6.000     4.500     0.000 peak  2142 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.785 ppm2      0.606 CV     1
 ASSI { 2145}
   (( segid "    " and resid 106  and name HA  ))
   (( segid "    " and resid 106  and name HG11))
      6.000     4.500     0.000 peak  2145 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.324 ppm2      1.077 CV     1
 OR { 2145}
   (( segid "    " and resid 106  and name HA  ))
   (( segid "    " and resid 106  and name HG12))
 ASSI { 2146}
   (( segid "    " and resid 106  and name HA  ))
   (  segid "    " and resid 106  and name HG2%)
      6.000     4.500     0.000 peak  2146 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.324 ppm2      0.944 CV     1
 ASSI { 2147}
   (( segid "    " and resid 106  and name HA  ))
   (  segid "    " and resid 106  and name HD1%)
      6.000     4.500     0.000 peak  2147 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.327 ppm2      0.639 CV     1
 ASSI { 2150}
   (( segid "    " and resid 77   and name HA  ))
   (( segid "    " and resid 77   and name HB1 ))
      6.000     4.500     0.000 peak  2150 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.766 ppm2      2.591 CV     1
 ASSI { 2151}
   (( segid "    " and resid 77   and name HA  ))
   (( segid "    " and resid 77   and name HG1 ))
      6.000     4.500     0.000 peak  2151 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.766 ppm2      1.957 CV     1
 ASSI { 2153}
   (( segid "    " and resid 77   and name HA  ))
   (( segid "    " and resid 94   and name HB1 ))
      6.000     4.500     0.000 peak  2153 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.768 ppm2      1.555 CV     1
 OR { 2153}
   (( segid "    " and resid 77   and name HA  ))
   (( segid "    " and resid 94   and name HB2 ))
 ASSI { 2154}
   (( segid "    " and resid 77   and name HA  ))
   (  segid "    " and resid 96   and name HD2%)
      6.000     4.500     0.000 peak  2154 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.769 ppm2      1.137 CV     1
 OR { 2154}
   (( segid "    " and resid 77   and name HA  ))
   (  segid "    " and resid 96   and name HD1%)
 ASSI { 2157}
   (( segid "    " and resid 116  and name HA  ))
   (( segid "    " and resid 116  and name HB1 ))
      6.000     4.500     0.000 peak  2157 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.196 ppm2      3.057 CV     1
 ASSI { 2160}
   (( segid "    " and resid 118  and name HA  ))
   (( segid "    " and resid 121  and name HB1 ))
      6.000     4.500     0.000 peak  2160 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.869 ppm2     -0.656 CV     1
 ASSI { 2162}
   (( segid "    " and resid 118  and name HA  ))
   (( segid "    " and resid 118  and name HG2 ))
      6.000     4.500     0.000 peak  2162 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.859 ppm2      3.305 CV     1
 OR { 2162}
   (( segid "    " and resid 118  and name HA  ))
   (( segid "    " and resid 118  and name HG1 ))
 ASSI { 2163}
   (( segid "    " and resid 129  and name HA  ))
   (( segid "    " and resid 129  and name HB2 ))
      6.000     4.500     0.000 peak  2163 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.863 ppm2      3.178 CV     1
 ASSI { 2164}
   (( segid "    " and resid 129  and name HA  ))
   (( segid "    " and resid 129  and name HB1 ))
      6.000     4.500     0.000 peak  2164 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.861 ppm2      2.896 CV     1
 ASSI { 2166}
   (( segid "    " and resid 118  and name HA  ))
   (( segid "    " and resid 124  and name HB2 ))
      6.000     4.500     0.000 peak  2166 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.860 ppm2      2.186 CV     1
 OR { 2166}
   (( segid "    " and resid 118  and name HA  ))
   (( segid "    " and resid 124  and name HB1 ))
 ASSI { 2167}
   (( segid "    " and resid 118  and name HA  ))
   (( segid "    " and resid 118  and name HB2 ))
      6.000     4.500     0.000 peak  2167 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.865 ppm2      1.958 CV     1
 OR { 2167}
   (( segid "    " and resid 118  and name HA  ))
   (( segid "    " and resid 118  and name HB1 ))
 ASSI { 2168}
   (( segid "    " and resid 129  and name HA  ))
   (( segid "    " and resid 133  and name HB1 ))
      6.000     4.500     0.000 peak  2168 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.864 ppm2      1.509 CV     1
 ASSI { 2170}
   (( segid "    " and resid 129  and name HA  ))
   (( segid "    " and resid 143  and name HG  ))
      6.000     4.500     0.000 peak  2170 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.860 ppm2      0.973 CV     1
 ASSI { 2171}
   (( segid "    " and resid 129  and name HA  ))
   (  segid "    " and resid 147  and name HD1%)
      6.000     4.500     0.000 peak  2171 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.856 ppm2     -0.473 CV     1
 ASSI { 2172}
   (( segid "    " and resid 38   and name HA  ))
   (( segid "    " and resid 38   and name HB2 ))
      6.000     4.500     0.000 peak  2172 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.283 ppm2      3.530 CV     1
 ASSI { 2177}
   (( segid "    " and resid 37   and name HA  ))
   (( segid "    " and resid 130  and name HB1 ))
      6.000     4.500     0.000 peak  2177 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.273 ppm2      2.644 CV     1
 ASSI { 2186}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 75   and name HD1 ))
      6.000     4.500     0.000 peak  2186 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.146 ppm2      3.355 CV     1
 ASSI { 2188}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 75   and name HB2 ))
      6.000     4.500     0.000 peak  2188 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.143 ppm2      1.922 CV     1
 ASSI { 2189}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 78   and name HB1 ))
      6.000     4.500     0.000 peak  2189 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.146 ppm2      1.772 CV     1
 ASSI { 2190}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 75   and name HG2 ))
      6.000     4.500     0.000 peak  2190 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.143 ppm2      1.584 CV     1
 ASSI { 2191}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 75   and name HD2 ))
      6.000     4.500     0.000 peak  2191 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.132 ppm2      3.178 CV     1
 ASSI { 2192}
   (( segid "    " and resid 109  and name HA  ))
   (( segid "    " and resid 109  and name HG2 ))
      6.000     4.500     0.000 peak  2192 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.042 ppm2      2.308 CV     1
 ASSI { 2193}
   (( segid "    " and resid 109  and name HA  ))
   (( segid "    " and resid 109  and name HB1 ))
      6.000     4.500     0.000 peak  2193 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.039 ppm2      2.038 CV     1
 OR { 2193}
   (( segid "    " and resid 109  and name HA  ))
   (( segid "    " and resid 109  and name HB2 ))
 ASSI { 2197}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 23   and name HG2 ))
      6.000     4.500     0.000 peak  2197 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.010 ppm2      1.564 CV     1
 ASSI { 2199}
   (( segid "    " and resid 119  and name HA  ))
   (( segid "    " and resid 124  and name HB2 ))
      6.000     4.500     0.000 peak  2199 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.800 ppm2      2.154 CV     1
 OR { 2199}
   (( segid "    " and resid 119  and name HA  ))
   (( segid "    " and resid 124  and name HB1 ))
 ASSI { 2202}
   (( segid "    " and resid 67   and name HA  ))
   (( segid "    " and resid 67   and name HG2 ))
      6.000     4.500     0.000 peak  2202 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.660 ppm2      2.156 CV     1
 ASSI { 2203}
   (( segid "    " and resid 67   and name HA  ))
   (( segid "    " and resid 67   and name HB1 ))
      6.000     4.500     0.000 peak  2203 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.662 ppm2      1.868 CV     1
 OR { 2203}
   (( segid "    " and resid 67   and name HA  ))
   (( segid "    " and resid 67   and name HB2 ))
 ASSI { 2207}
   (( segid "    " and resid 67   and name HA  ))
   (  segid "    " and resid 111  and name HD1%)
      6.000     4.500     0.000 peak  2207 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.662 ppm2      0.355 CV     1
 ASSI { 2208}
   (( segid "    " and resid 67   and name HA  ))
   (( segid "    " and resid 66   and name HA  ))
      6.000     4.500     0.000 peak  2208 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.655 ppm2      3.387 CV     1
 ASSI { 2209}
   (( segid "    " and resid 67   and name HA  ))
   (( segid "    " and resid 70   and name HB1 ))
      6.000     4.500     0.000 peak  2209 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.657 ppm2      1.015 CV     1
 ASSI { 2210}
   (( segid "    " and resid 144  and name HA  ))
   (( segid "    " and resid 144  and name HB1 ))
      6.000     4.500     0.000 peak  2210 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.529 ppm2      1.806 CV     1
 ASSI { 2211}
   (( segid "    " and resid 144  and name HA  ))
   (( segid "    " and resid 147  and name HB2 ))
      6.000     4.500     0.000 peak  2211 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.528 ppm2      1.082 CV     1
 ASSI { 2214}
   (( segid "    " and resid 144  and name HA  ))
   (( segid "    " and resid 144  and name HD1 ))
      6.000     4.500     0.000 peak  2214 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.525 ppm2      3.386 CV     1
 ASSI { 2215}
   (( segid "    " and resid 144  and name HA  ))
   (( segid "    " and resid 144  and name HD2 ))
      6.000     4.500     0.000 peak  2215 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.525 ppm2      3.269 CV     1
 ASSI { 2216}
   (( segid "    " and resid 144  and name HA  ))
   (( segid "    " and resid 144  and name HB2 ))
      6.000     4.500     0.000 peak  2216 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.527 ppm2      2.128 CV     1
 ASSI { 2217}
   (( segid "    " and resid 144  and name HA  ))
   (( segid "    " and resid 133  and name HB2 ))
      6.000     4.500     0.000 peak  2217 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.526 ppm2      1.610 CV     1
 ASSI { 2218}
   (( segid "    " and resid 144  and name HA  ))
   (( segid "    " and resid 147  and name HB1 ))
      6.000     4.500     0.000 peak  2218 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.522 ppm2      0.666 CV     1
 ASSI { 2219}
   (( segid "    " and resid 144  and name HA  ))
   (  segid "    " and resid 147  and name HD1%)
      6.000     4.500     0.000 peak  2219 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.527 ppm2     -0.461 CV     1
 ASSI { 2222}
   (( segid "    " and resid 113  and name HA  ))
   (  segid "    " and resid 113  and name HG2%)
      6.000     4.500     0.000 peak  2222 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.329 ppm2      1.171 CV     1
 ASSI { 2223}
   (( segid "    " and resid 113  and name HA  ))
   (  segid "    " and resid 113  and name HG1%)
      6.000     4.500     0.000 peak  2223 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.326 ppm2      0.878 CV     1
 ASSI { 2227}
   (( segid "    " and resid 37   and name HA  ))
   (  segid "    " and resid 131  and name HG2%)
      6.000     4.500     0.000 peak  2227 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.270 ppm2      0.853 CV     1
 ASSI { 2230}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 19   and name HB2 ))
      6.000     4.500     0.000 peak  2230 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.108 ppm2      2.858 CV     1
 ASSI { 2231}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 19   and name HB1 ))
      6.000     4.500     0.000 peak  2231 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.103 ppm2      2.694 CV     1
 ASSI { 2232}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 16   and name HG1 ))
      6.000     4.500     0.000 peak  2232 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.106 ppm2      2.337 CV     1
 ASSI { 2233}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 16   and name HB1 ))
      6.000     4.500     0.000 peak  2233 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.106 ppm2      2.172 CV     1
 ASSI { 2234}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 23   and name HD1 ))
      6.000     4.500     0.000 peak  2234 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.007 ppm2      1.702 CV     1
 ASSI { 2235}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 23   and name HD2 ))
      6.000     4.500     0.000 peak  2235 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.008 ppm2      1.450 CV     1
 OR { 2235}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 23   and name HG1 ))
 ASSI { 2236}
   (( segid "    " and resid 23   and name HA  ))
   (  segid "    " and resid 22   and name HD1%)
      6.000     4.500     0.000 peak  2236 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.004 ppm2      1.166 CV     1
 ASSI { 2240}
   (( segid "    " and resid 119  and name HA  ))
   (( segid "    " and resid 119  and name HB2 ))
      6.000     4.500     0.000 peak  2240 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.801 ppm2      1.675 CV     1
 ASSI { 2241}
   (( segid "    " and resid 119  and name HA  ))
   (( segid "    " and resid 119  and name HB1 ))
      6.000     4.500     0.000 peak  2241 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.802 ppm2      1.495 CV     1
 ASSI { 2244}
   (( segid "    " and resid 119  and name HA  ))
   (( segid "    " and resid 125  and name HG  ))
      6.000     4.500     0.000 peak  2244 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.802 ppm2      0.328 CV     1
 ASSI { 2245}
   (( segid "    " and resid 119  and name HA  ))
   (( segid "    " and resid 119  and name HG1 ))
      6.000     4.500     0.000 peak  2245 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.796 ppm2      1.298 CV     1
 ASSI { 2246}
   (( segid "    " and resid 119  and name HA  ))
   (  segid "    " and resid 146  and name HG2%)
      6.000     4.500     0.000 peak  2246 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.797 ppm2      0.752 CV     1
 ASSI { 2248}
   (( segid "    " and resid 137  and name HA  ))
   (( segid "    " and resid 138  and name HG1 ))
      6.000     4.500     0.000 peak  2248 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.314 ppm2      1.973 CV     1
 OR { 2248}
   (( segid "    " and resid 137  and name HA  ))
   (( segid "    " and resid 138  and name HG2 ))
 ASSI { 2252}
   (( segid "    " and resid 143  and name HA  ))
   (  segid "    " and resid 146  and name HG2%)
      6.000     4.500     0.000 peak  2252 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.101 ppm2      0.751 CV     1
 ASSI { 2255}
   (( segid "    " and resid 143  and name HA  ))
   (( segid "    " and resid 143  and name HB1 ))
      6.000     4.500     0.000 peak  2255 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.098 ppm2      1.345 CV     1
 ASSI { 2256}
   (( segid "    " and resid 143  and name HA  ))
   (( segid "    " and resid 143  and name HG  ))
      6.000     4.500     0.000 peak  2256 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.096 ppm2      0.960 CV     1
 ASSI { 2262}
   (( segid "    " and resid 130  and name HA  ))
   (( segid "    " and resid 130  and name HB2 ))
      6.000     4.500     0.000 peak  2262 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.893 ppm2      2.295 CV     1
 ASSI { 2263}
   (( segid "    " and resid 130  and name HA  ))
   (( segid "    " and resid 131  and name HG12))
      6.000     4.500     0.000 peak  2263 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.894 ppm2      1.650 CV     1
 OR { 2263}
   (( segid "    " and resid 130  and name HA  ))
   (( segid "    " and resid 131  and name HG11))
 ASSI { 2265}
   (( segid "    " and resid 130  and name HA  ))
   (( segid "    " and resid 133  and name HD2 ))
      6.000     4.500     0.000 peak  2265 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.890 ppm2      3.137 CV     1
 ASSI { 2267}
   (( segid "    " and resid 130  and name HA  ))
   (( segid "    " and resid 133  and name HB1 ))
      6.000     4.500     0.000 peak  2267 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.884 ppm2      1.509 CV     1
 ASSI { 2270}
   (( segid "    " and resid 148  and name HA  ))
   (( segid "    " and resid 151  and name HA  ))
      6.000     4.500     0.000 peak  2270 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.434 ppm2      4.095 CV     1
 ASSI { 2271}
   (( segid "    " and resid 124  and name HA  ))
   (( segid "    " and resid 124  and name HB1 ))
      6.000     4.500     0.000 peak  2271 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.415 ppm2      2.169 CV     1
 OR { 2271}
   (( segid "    " and resid 124  and name HA  ))
   (( segid "    " and resid 124  and name HB2 ))
 ASSI { 2272}
   (( segid "    " and resid 124  and name HA  ))
   (  segid "    " and resid 6    and name HB% )
      6.000     4.500     0.000 peak  2272 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.407 ppm2      1.783 CV     1
 ASSI { 2273}
   (( segid "    " and resid 124  and name HA  ))
   (( segid "    " and resid 127  and name HB2 ))
      6.000     4.500     0.000 peak  2273 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.397 ppm2      1.943 CV     1
 ASSI { 2274}
   (( segid "    " and resid 137  and name HA  ))
   (( segid "    " and resid 138  and name HD1 ))
      6.000     4.500     0.000 peak  2274 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.314 ppm2      4.028 CV     1
 OR { 2274}
   (( segid "    " and resid 137  and name HA  ))
   (( segid "    " and resid 138  and name HD2 ))
 ASSI { 2275}
   (( segid "    " and resid 137  and name HA  ))
   (( segid "    " and resid 137  and name HB1 ))
      6.000     4.500     0.000 peak  2275 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.312 ppm2      3.252 CV     1
 ASSI { 2277}
   (( segid "    " and resid 137  and name HA  ))
   (( segid "    " and resid 137  and name HB2 ))
      6.000     4.500     0.000 peak  2277 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.308 ppm2      3.376 CV     1
 ASSI { 2280}
   (( segid "    " and resid 69   and name HA  ))
   (  segid "    " and resid 69   and name HD2%)
      6.000     4.500     0.000 peak  2280 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.194 ppm2      0.964 CV     1
 ASSI { 2281}
   (( segid "    " and resid 69   and name HA  ))
   (  segid "    " and resid 64   and name HD1%)
      6.000     4.500     0.000 peak  2281 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.200 ppm2      0.712 CV     1
 OR { 2281}
   (( segid "    " and resid 69   and name HA  ))
   (  segid "    " and resid 64   and name HD2%)
 ASSI { 2282}
   (( segid "    " and resid 69   and name HA  ))
   (( segid "    " and resid 69   and name HB1 ))
      6.000     4.500     0.000 peak  2282 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.190 ppm2      1.324 CV     1
 ASSI { 2283}
   (( segid "    " and resid 145  and name HA  ))
   (( segid "    " and resid 145  and name HG2 ))
      6.000     4.500     0.000 peak  2283 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.242 ppm2      2.484 CV     1
 OR { 2283}
   (( segid "    " and resid 145  and name HA  ))
   (( segid "    " and resid 145  and name HG1 ))
 ASSI { 2285}
   (( segid "    " and resid 79   and name HA  ))
   (( segid "    " and resid 76   and name HA  ))
      6.000     4.500     0.000 peak  2285 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.193 ppm2      3.606 CV     1
 ASSI { 2286}
   (( segid "    " and resid 79   and name HA  ))
   (( segid "    " and resid 79   and name HG1 ))
      6.000     4.500     0.000 peak  2286 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.197 ppm2      2.664 CV     1
 ASSI { 2287}
   (( segid "    " and resid 79   and name HA  ))
   (( segid "    " and resid 79   and name HG2 ))
      6.000     4.500     0.000 peak  2287 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.196 ppm2      2.581 CV     1
 ASSI { 2289}
   (( segid "    " and resid 78   and name HA  ))
   (( segid "    " and resid 78   and name HB2 ))
      6.000     4.500     0.000 peak  2289 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.186 ppm2      1.954 CV     1
 ASSI { 2294}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 22   and name HG  ))
      6.000     4.500     0.000 peak  2294 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.974 ppm2      1.933 CV     1
 ASSI { 2295}
   (( segid "    " and resid 22   and name HA  ))
   (  segid "    " and resid 22   and name HD1%)
      6.000     4.500     0.000 peak  2295 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.972 ppm2      1.161 CV     1
 ASSI { 2296}
   (( segid "    " and resid 22   and name HA  ))
   (  segid "    " and resid 58   and name HG2%)
      6.000     4.500     0.000 peak  2296 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.978 ppm2      0.999 CV     1
 OR { 2296}
   (( segid "    " and resid 22   and name HA  ))
   (  segid "    " and resid 58   and name HG1%)
 ASSI { 2298}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 15   and name HB2 ))
      6.000     4.500     0.000 peak  2298 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.424 ppm2      1.272 CV     1
 ASSI { 2300}
   (( segid "    " and resid 123  and name HA  ))
   (( segid "    " and resid 123  and name HB2 ))
      6.000     4.500     0.000 peak  2300 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.362 ppm2      3.349 CV     1
 ASSI { 2301}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 71   and name HB2 ))
      6.000     4.500     0.000 peak  2301 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.352 ppm2      3.095 CV     1
 ASSI { 2306}
   (( segid "    " and resid 123  and name HA  ))
   (( segid "    " and resid 155  and name HG  ))
      6.000     4.500     0.000 peak  2306 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.355 ppm2      0.776 CV     1
 ASSI { 2307}
   (( segid "    " and resid 123  and name HA  ))
   (  segid "    " and resid 155  and name HD1%)
      6.000     4.500     0.000 peak  2307 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.359 ppm2      0.504 CV     1
 OR { 2307}
   (( segid "    " and resid 123  and name HA  ))
   (  segid "    " and resid 155  and name HD2%)
 ASSI { 2308}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 71   and name HB1 ))
      6.000     4.500     0.000 peak  2308 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.347 ppm2      2.627 CV     1
 ASSI { 2309}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 10   and name HB2 ))
      6.000     4.500     0.000 peak  2309 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.346 ppm2      0.632 CV     1
 ASSI { 2313}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 17   and name HB1 ))
      6.000     4.500     0.000 peak  2313 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.991 ppm2      2.145 CV     1
 OR { 2313}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 17   and name HB2 ))
 ASSI { 2318}
   (( segid "    " and resid 15   and name HA  ))
   (  segid "    " and resid 18   and name HG1%)
      6.000     4.500     0.000 peak  2318 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.428 ppm2      0.641 CV     1
 ASSI { 2320}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 15   and name HB1 ))
      6.000     4.500     0.000 peak  2320 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.420 ppm2      1.723 CV     1
 ASSI { 2321}
   (( segid "    " and resid 15   and name HA  ))
   (  segid "    " and resid 54   and name HD2%)
      6.000     4.500     0.000 peak  2321 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.423 ppm2     -0.634 CV     1
 ASSI { 2322}
   (( segid "    " and resid 104  and name HA  ))
   (( segid "    " and resid 104  and name HB1 ))
      6.000     4.500     0.000 peak  2322 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.273 ppm2      2.180 CV     1
 ASSI { 2323}
   (( segid "    " and resid 104  and name HA  ))
   (( segid "    " and resid 66   and name HG1 ))
      6.000     4.500     0.000 peak  2323 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.266 ppm2      0.801 CV     1
 ASSI { 2324}
   (( segid "    " and resid 88   and name HA  ))
   (( segid "    " and resid 88   and name HD2 ))
      6.000     4.500     0.000 peak  2324 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.081 ppm2      2.923 CV     1
 ASSI { 2330}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 17   and name HG2 ))
      6.000     4.500     0.000 peak  2330 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.993 ppm2      2.643 CV     1
 OR { 2330}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 17   and name HG1 ))
 ASSI { 2333}
   (( segid "    " and resid 135  and name HA  ))
   (( segid "    " and resid 135  and name HG  ))
      6.000     4.500     0.000 peak  2333 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.854 ppm2      1.250 CV     1
 ASSI { 2334}
   (( segid "    " and resid 135  and name HA  ))
   (( segid "    " and resid 135  and name HB2 ))
      6.000     4.500     0.000 peak  2334 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.848 ppm2      1.734 CV     1
 ASSI { 2335}
   (( segid "    " and resid 135  and name HA  ))
   (  segid "    " and resid 135  and name HD2%)
      6.000     4.500     0.000 peak  2335 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.848 ppm2      0.116 CV     1
 ASSI { 2337}
   (( segid "    " and resid 125  and name HA  ))
   (  segid "    " and resid 128  and name HD2%)
      6.000     4.500     0.000 peak  2337 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.821 ppm2      0.598 CV     1
 OR { 2337}
   (( segid "    " and resid 125  and name HA  ))
   (  segid "    " and resid 128  and name HD1%)
 ASSI { 2338}
   (( segid "    " and resid 125  and name HA  ))
   (  segid "    " and resid 125  and name HD2%)
      6.000     4.500     0.000 peak  2338 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.818 ppm2      0.480 CV     1
 OR { 2338}
   (( segid "    " and resid 125  and name HA  ))
   (  segid "    " and resid 125  and name HD1%)
 ASSI { 2340}
   (( segid "    " and resid 125  and name HA  ))
   (  segid "    " and resid 147  and name HD1%)
      6.000     4.500     0.000 peak  2340 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.812 ppm2     -0.458 CV     1
 ASSI { 2342}
   (( segid "    " and resid 147  and name HA  ))
   (  segid "    " and resid 151  and name HB% )
      6.000     4.500     0.000 peak  2342 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.674 ppm2      1.240 CV     1
 ASSI { 2343}
   (( segid "    " and resid 147  and name HA  ))
   (( segid "    " and resid 147  and name HB2 ))
      6.000     4.500     0.000 peak  2343 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.671 ppm2      1.095 CV     1
 ASSI { 2344}
   (( segid "    " and resid 147  and name HA  ))
   (( segid "    " and resid 147  and name HB1 ))
      6.000     4.500     0.000 peak  2344 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.673 ppm2      0.662 CV     1
 ASSI { 2345}
   (( segid "    " and resid 147  and name HA  ))
   (( segid "    " and resid 125  and name HG  ))
      6.000     4.500     0.000 peak  2345 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.672 ppm2      0.334 CV     1
 ASSI { 2346}
   (( segid "    " and resid 147  and name HA  ))
   (( segid "    " and resid 147  and name HG  ))
      6.000     4.500     0.000 peak  2346 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.667 ppm2      0.883 CV     1
 ASSI { 2347}
   (( segid "    " and resid 147  and name HA  ))
   (  segid "    " and resid 125  and name HD1%)
      6.000     4.500     0.000 peak  2347 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.669 ppm2      0.494 CV     1
 OR { 2347}
   (( segid "    " and resid 147  and name HA  ))
   (  segid "    " and resid 125  and name HD2%)
 ASSI { 2348}
   (( segid "    " and resid 147  and name HA  ))
   (  segid "    " and resid 147  and name HD2%)
      6.000     4.500     0.000 peak  2348 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.668 ppm2     -0.572 CV     1
 ASSI { 2350}
   (( segid "    " and resid 141  and name HA  ))
   (( segid "    " and resid 142  and name HG2 ))
      6.000     4.500     0.000 peak  2350 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.296 ppm2      2.829 CV     1
 ASSI { 2351}
   (( segid "    " and resid 141  and name HA  ))
   (( segid "    " and resid 141  and name HG2 ))
      6.000     4.500     0.000 peak  2351 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.295 ppm2      2.055 CV     1
 ASSI { 2352}
   (( segid "    " and resid 141  and name HA  ))
   (( segid "    " and resid 141  and name HB1 ))
      6.000     4.500     0.000 peak  2352 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.286 ppm2      1.812 CV     1
 ASSI { 2353}
   (( segid "    " and resid 104  and name HA  ))
   (( segid "    " and resid 104  and name HG2 ))
      6.000     4.500     0.000 peak  2353 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.270 ppm2      2.545 CV     1
 ASSI { 2354}
   (( segid "    " and resid 104  and name HA  ))
   (  segid "    " and resid 105  and name HG2%)
      6.000     4.500     0.000 peak  2354 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.278 ppm2      1.025 CV     1
 OR { 2354}
   (( segid "    " and resid 104  and name HA  ))
   (  segid "    " and resid 105  and name HG1%)
 ASSI { 2356}
   (( segid "    " and resid 104  and name HA  ))
   (  segid "    " and resid 106  and name HD1%)
      6.000     4.500     0.000 peak  2356 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.264 ppm2      0.644 CV     1
 ASSI { 2357}
   (( segid "    " and resid 110  and name HA  ))
   (( segid "    " and resid 74   and name HG2 ))
      6.000     4.500     0.000 peak  2357 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.247 ppm2      2.972 CV     1
 ASSI { 2360}
   (( segid "    " and resid 128  and name HA  ))
   (( segid "    " and resid 133  and name HB1 ))
      6.000     4.500     0.000 peak  2360 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.854 ppm2      1.510 CV     1
 ASSI { 2361}
   (( segid "    " and resid 128  and name HA  ))
   (  segid "    " and resid 128  and name HD1%)
      6.000     4.500     0.000 peak  2361 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.858 ppm2      0.598 CV     1
 OR { 2361}
   (( segid "    " and resid 128  and name HA  ))
   (  segid "    " and resid 128  and name HD2%)
 ASSI { 2362}
   (( segid "    " and resid 125  and name HA  ))
   (( segid "    " and resid 128  and name HB2 ))
      6.000     4.500     0.000 peak  2362 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.836 ppm2      2.047 CV     1
 ASSI { 2363}
   (( segid "    " and resid 19   and name HA  ))
   (( segid "    " and resid 22   and name HB1 ))
      6.000     4.500     0.000 peak  2363 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.602 ppm2      2.055 CV     1
 ASSI { 2364}
   (( segid "    " and resid 19   and name HA  ))
   (( segid "    " and resid 19   and name HB2 ))
      6.000     4.500     0.000 peak  2364 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.591 ppm2      2.867 CV     1
 ASSI { 2365}
   (( segid "    " and resid 110  and name HA  ))
   (  segid "    " and resid 70   and name HD1%)
      6.000     4.500     0.000 peak  2365 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.244 ppm2      0.485 CV     1
 ASSI { 2367}
   (( segid "    " and resid 110  and name HA  ))
   (( segid "    " and resid 110  and name HB1 ))
      6.000     4.500     0.000 peak  2367 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.239 ppm2      1.394 CV     1
 ASSI { 2371}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 14   and name HD2 ))
      6.000     4.500     0.000 peak  2371 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.083 ppm2      3.740 CV     1
 ASSI { 2372}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 14   and name HD1 ))
      6.000     4.500     0.000 peak  2372 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.081 ppm2      3.605 CV     1
 ASSI { 2374}
   (( segid "    " and resid 30   and name HA  ))
   (( segid "    " and resid 30   and name HB1 ))
      6.000     4.500     0.000 peak  2374 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.926 ppm2      2.411 CV     1
 ASSI { 2375}
   (( segid "    " and resid 30   and name HA  ))
   (( segid "    " and resid 30   and name HG1 ))
      6.000     4.500     0.000 peak  2375 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.925 ppm2      2.124 CV     1
 ASSI { 2376}
   (( segid "    " and resid 128  and name HA  ))
   (( segid "    " and resid 128  and name HG  ))
      6.000     4.500     0.000 peak  2376 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.855 ppm2      0.305 CV     1
 ASSI { 2377}
   (( segid "    " and resid 19   and name HA  ))
   (( segid "    " and resid 19   and name HB1 ))
      6.000     4.500     0.000 peak  2377 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.595 ppm2      2.682 CV     1
 ASSI { 2378}
   (( segid "    " and resid 19   and name HA  ))
   (  segid "    " and resid 22   and name HD1%)
      6.000     4.500     0.000 peak  2378 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.592 ppm2      1.131 CV     1
 ASSI { 2379}
   (( segid "    " and resid 157  and name HA  ))
   (( segid "    " and resid 157  and name HB2 ))
      6.000     4.500     0.000 peak  2379 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.507 ppm2      1.991 CV     1
 ASSI { 2380}
   (( segid "    " and resid 157  and name HA  ))
   (( segid "    " and resid 157  and name HB1 ))
      6.000     4.500     0.000 peak  2380 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.497 ppm2      1.836 CV     1
 ASSI { 2381}
   (( segid "    " and resid 157  and name HA  ))
   (( segid "    " and resid 157  and name HG2 ))
      6.000     4.500     0.000 peak  2381 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.502 ppm2      1.286 CV     1
 ASSI { 2383}
   (( segid "    " and resid 87   and name HA  ))
   (( segid "    " and resid 92   and name HB1 ))
      6.000     4.500     0.000 peak  2383 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.212 ppm2      1.601 CV     1
 ASSI { 2384}
   (( segid "    " and resid 87   and name HA  ))
   (( segid "    " and resid 90   and name HA1 ))
      6.000     4.500     0.000 peak  2384 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.196 ppm2      3.925 CV     1
 ASSI { 2385}
   (( segid "    " and resid 87   and name HA  ))
   (( segid "    " and resid 87   and name HG2 ))
      6.000     4.500     0.000 peak  2385 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.192 ppm2      2.332 CV     1
 OR { 2385}
   (( segid "    " and resid 87   and name HA  ))
   (( segid "    " and resid 87   and name HG1 ))
 ASSI { 2386}
   (( segid "    " and resid 87   and name HA  ))
   (( segid "    " and resid 92   and name HG2 ))
      6.000     4.500     0.000 peak  2386 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.200 ppm2      1.426 CV     1
 ASSI { 2387}
   (( segid "    " and resid 154  and name HA  ))
   (( segid "    " and resid 154  and name HB1 ))
      6.000     4.500     0.000 peak  2387 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.974 ppm2      1.416 CV     1
 OR { 2387}
   (( segid "    " and resid 154  and name HA  ))
   (( segid "    " and resid 154  and name HB2 ))
 ASSI { 2388}
   (( segid "    " and resid 154  and name HA  ))
   (( segid "    " and resid 154  and name HG2 ))
      6.000     4.500     0.000 peak  2388 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.975 ppm2      1.193 CV     1
 ASSI { 2389}
   (( segid "    " and resid 154  and name HA  ))
   (( segid "    " and resid 154  and name HG1 ))
      6.000     4.500     0.000 peak  2389 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.974 ppm2      0.748 CV     1
 ASSI { 2390}
   (( segid "    " and resid 154  and name HA  ))
   (  segid "    " and resid 155  and name HD2%)
      6.000     4.500     0.000 peak  2390 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.973 ppm2      0.505 CV     1
 OR { 2390}
   (( segid "    " and resid 154  and name HA  ))
   (  segid "    " and resid 155  and name HD1%)
 ASSI { 2391}
   (( segid "    " and resid 70   and name HA  ))
   (  segid "    " and resid 70   and name HD2%)
      6.000     4.500     0.000 peak  2391 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.602 ppm2      0.744 CV     1
 ASSI { 2393}
   (( segid "    " and resid 87   and name HA  ))
   (  segid "    " and resid 86   and name HB% )
      6.000     4.500     0.000 peak  2393 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.196 ppm2      1.477 CV     1
 ASSI { 2395}
   (( segid "    " and resid 34   and name HA  ))
   (( segid "    " and resid 34   and name HB1 ))
      6.000     4.500     0.000 peak  2395 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.524 ppm2      1.673 CV     1
 ASSI { 2396}
   (( segid "    " and resid 34   and name HA  ))
   (( segid "    " and resid 34   and name HB2 ))
      6.000     4.500     0.000 peak  2396 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.521 ppm2      1.555 CV     1
 ASSI { 2400}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 71   and name HB2 ))
      6.000     4.500     0.000 peak  2400 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.326 ppm2      3.099 CV     1
 ASSI { 2401}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 74   and name HG2 ))
      6.000     4.500     0.000 peak  2401 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.327 ppm2      2.955 CV     1
 ASSI { 2402}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 48   and name HB2 ))
      6.000     4.500     0.000 peak  2402 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.324 ppm2      2.279 CV     1
 ASSI { 2403}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 47   and name HA  ))
      6.000     4.500     0.000 peak  2403 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.319 ppm2      4.468 CV     1
 ASSI { 2404}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 71   and name HB1 ))
      6.000     4.500     0.000 peak  2404 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.319 ppm2      2.614 CV     1
 ASSI { 2405}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 48   and name HB1 ))
      6.000     4.500     0.000 peak  2405 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.316 ppm2      2.028 CV     1
 ASSI { 2409}
   (( segid "    " and resid 80   and name HA  ))
   (( segid "    " and resid 80   and name HB2 ))
      6.000     4.500     0.000 peak  2409 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.536 ppm2      2.882 CV     1
 ASSI { 2410}
   (( segid "    " and resid 80   and name HA  ))
   (( segid "    " and resid 80   and name HG1 ))
      6.000     4.500     0.000 peak  2410 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.543 ppm2      2.491 CV     1
 ASSI { 2411}
   (( segid "    " and resid 80   and name HA  ))
   (( segid "    " and resid 80   and name HG2 ))
      6.000     4.500     0.000 peak  2411 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.541 ppm2      2.257 CV     1
 ASSI { 2413}
   (( segid "    " and resid 85   and name HA  ))
   (( segid "    " and resid 85   and name HB1 ))
      6.000     4.500     0.000 peak  2413 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.436 ppm2      1.759 CV     1
 ASSI { 2414}
   (( segid "    " and resid 85   and name HA  ))
   (( segid "    " and resid 85   and name HG2 ))
      6.000     4.500     0.000 peak  2414 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.434 ppm2      1.420 CV     1
 OR { 2414}
   (( segid "    " and resid 85   and name HA  ))
   (( segid "    " and resid 85   and name HG1 ))
 ASSI { 2417}
   (( segid "    " and resid 82   and name HA  ))
   (( segid "    " and resid 82   and name HB2 ))
      6.000     4.500     0.000 peak  2417 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.394 ppm2      1.605 CV     1
 OR { 2417}
   (( segid "    " and resid 82   and name HA  ))
   (( segid "    " and resid 82   and name HB1 ))
 ASSI { 2418}
   (( segid "    " and resid 82   and name HA  ))
   (  segid "    " and resid 83   and name HG2%)
      6.000     4.500     0.000 peak  2418 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.391 ppm2      0.990 CV     1
 OR { 2418}
   (( segid "    " and resid 82   and name HA  ))
   (  segid "    " and resid 83   and name HG1%)
 ASSI { 2419}
   (( segid "    " and resid 82   and name HA  ))
   (( segid "    " and resid 83   and name HB  ))
      6.000     4.500     0.000 peak  2419 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.384 ppm2      2.097 CV     1
 ASSI { 2420}
   (( segid "    " and resid 85   and name HA  ))
   (( segid "    " and resid 85   and name HB2 ))
      6.000     4.500     0.000 peak  2420 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.441 ppm2      1.988 CV     1
 ASSI { 2421}
   (( segid "    " and resid 150  and name HA  ))
   (( segid "    " and resid 150  and name HD1 ))
      6.000     4.500     0.000 peak  2421 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.025 ppm2      3.119 CV     1
 ASSI { 2422}
   (( segid "    " and resid 150  and name HA  ))
   (( segid "    " and resid 150  and name HD2 ))
      6.000     4.500     0.000 peak  2422 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.025 ppm2      2.965 CV     1
 ASSI { 2423}
   (( segid "    " and resid 150  and name HA  ))
   (( segid "    " and resid 150  and name HG2 ))
      6.000     4.500     0.000 peak  2423 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.029 ppm2      1.466 CV     1
 ASSI { 2424}
   (( segid "    " and resid 150  and name HA  ))
   (  segid "    " and resid 151  and name HB% )
      6.000     4.500     0.000 peak  2424 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.027 ppm2      1.248 CV     1
 ASSI { 2428}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 27   and name HB2 ))
      6.000     4.500     0.000 peak  2428 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.211 ppm2      2.920 CV     1
 ASSI { 2429}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 27   and name HB1 ))
      6.000     4.500     0.000 peak  2429 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.211 ppm2      2.577 CV     1
 ASSI { 2431}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 23   and name HB1 ))
      6.000     4.500     0.000 peak  2431 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.163 ppm2      1.964 CV     1
 OR { 2431}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 23   and name HB2 ))
 ASSI { 2432}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 23   and name HD1 ))
      6.000     4.500     0.000 peak  2432 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.163 ppm2      1.706 CV     1
 ASSI { 2433}
   (( segid "    " and resid 20   and name HA  ))
   (  segid "    " and resid 20   and name HB% )
      6.000     4.500     0.000 peak  2433 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.161 ppm2      1.454 CV     1
 ASSI { 2437}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 96   and name HB1 ))
      6.000     4.500     0.000 peak  2437 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.136 ppm2      0.972 CV     1
 ASSI { 2438}
   (( segid "    " and resid 21   and name HA  ))
   (  segid "    " and resid 76   and name HG2%)
      6.000     4.500     0.000 peak  2438 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.134 ppm2      0.831 CV     1
 ASSI { 2440}
   (( segid "    " and resid 153  and name HA  ))
   (( segid "    " and resid 153  and name HB1 ))
      6.000     4.500     0.000 peak  2440 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.575 ppm2      2.761 CV     1
 ASSI { 2441}
   (( segid "    " and resid 153  and name HA  ))
   (( segid "    " and resid 153  and name HB2 ))
      6.000     4.500     0.000 peak  2441 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.576 ppm2      2.591 CV     1
 ASSI { 2442}
   (( segid "    " and resid 153  and name HA  ))
   (( segid "    " and resid 154  and name HB2 ))
      6.000     4.500     0.000 peak  2442 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.575 ppm2      1.399 CV     1
 OR { 2442}
   (( segid "    " and resid 153  and name HA  ))
   (( segid "    " and resid 154  and name HB1 ))
 ASSI { 2444}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 30   and name HG2 ))
      6.000     4.500     0.000 peak  2444 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.247 ppm2      2.186 CV     1
 ASSI { 2445}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 68   and name HB1 ))
      6.000     4.500     0.000 peak  2445 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.243 ppm2      2.272 CV     1
 OR { 2445}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 68   and name HB2 ))
 ASSI { 2446}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 64   and name HB2 ))
      6.000     4.500     0.000 peak  2446 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.236 ppm2      1.742 CV     1
 ASSI { 2447}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 64   and name HG  ))
      6.000     4.500     0.000 peak  2447 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.236 ppm2      0.763 CV     1
 ASSI { 2448}
   (( segid "    " and resid 134  and name HA  ))
   (( segid "    " and resid 134  and name HB1 ))
      6.000     4.500     0.000 peak  2448 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.553 ppm2      2.298 CV     1
 OR { 2448}
   (( segid "    " and resid 134  and name HA  ))
   (( segid "    " and resid 134  and name HG1 ))
 ASSI { 2449}
   (( segid "    " and resid 134  and name HA  ))
   (( segid "    " and resid 134  and name HG2 ))
      6.000     4.500     0.000 peak  2449 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.553 ppm2      2.135 CV     1
 ASSI { 2450}
   (( segid "    " and resid 134  and name HA  ))
   (( segid "    " and resid 134  and name HB2 ))
      6.000     4.500     0.000 peak  2450 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.555 ppm2      1.768 CV     1
 ASSI { 2451}
   (( segid "    " and resid 139  and name HA  ))
   (( segid "    " and resid 139  and name HB1 ))
      6.000     4.500     0.000 peak  2451 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.514 ppm2      3.044 CV     1
 ASSI { 2452}
   (( segid "    " and resid 139  and name HA  ))
   (( segid "    " and resid 139  and name HB2 ))
      6.000     4.500     0.000 peak  2452 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.517 ppm2      2.603 CV     1
 ASSI { 2454}
   (( segid "    " and resid 121  and name HA  ))
   (( segid "    " and resid 121  and name HG1 ))
      6.000     4.500     0.000 peak  2454 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.134 ppm2      0.705 CV     1
 ASSI { 2456}
   (( segid "    " and resid 111  and name HA  ))
   (( segid "    " and resid 111  and name HB1 ))
      6.000     4.500     0.000 peak  2456 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.910 ppm2      0.914 CV     1
 ASSI { 2457}
   (( segid "    " and resid 111  and name HA  ))
   (  segid "    " and resid 70   and name HD1%)
      6.000     4.500     0.000 peak  2457 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.913 ppm2      0.507 CV     1
 ASSI { 2458}
   (( segid "    " and resid 111  and name HA  ))
   (  segid "    " and resid 111  and name HD2%)
      6.000     4.500     0.000 peak  2458 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.912 ppm2      0.364 CV     1
 ASSI { 2459}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 11   and name HB1 ))
      6.000     4.500     0.000 peak  2459 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.506 ppm2      0.965 CV     1
 ASSI { 2460}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 11   and name HB2 ))
      6.000     4.500     0.000 peak  2460 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.503 ppm2      1.246 CV     1
 ASSI { 2462}
   (( segid "    " and resid 121  and name HA  ))
   (( segid "    " and resid 121  and name HG2 ))
      6.000     4.500     0.000 peak  2462 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.133 ppm2      1.333 CV     1
 ASSI { 2464}
   (( segid "    " and resid 155  and name HA  ))
   (( segid "    " and resid 155  and name HG  ))
      6.000     4.500     0.000 peak  2464 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.466 ppm2      0.785 CV     1
 ASSI { 2466}
   (( segid "    " and resid 155  and name HA  ))
   (( segid "    " and resid 154  and name HB1 ))
      6.000     4.500     0.000 peak  2466 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.464 ppm2      1.392 CV     1
 OR { 2466}
   (( segid "    " and resid 155  and name HA  ))
   (( segid "    " and resid 154  and name HB2 ))
 ASSI { 2471}
   (( segid "    " and resid 86   and name HA  ))
   (( segid "    " and resid 87   and name HB2 ))
      6.000     4.500     0.000 peak  2471 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.305 ppm2      2.009 CV     1
 OR { 2471}
   (( segid "    " and resid 86   and name HA  ))
   (( segid "    " and resid 87   and name HB1 ))
 ASSI { 2472}
   (( segid "    " and resid 86   and name HA  ))
   (  segid "    " and resid 86   and name HB% )
      6.000     4.500     0.000 peak  2472 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.305 ppm2      1.448 CV     1
 ASSI { 2474}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 93   and name HA  ))
      6.000     4.500     0.000 peak  2474 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.894 ppm2      4.050 CV     1
 ASSI { 2475}
   (( segid "    " and resid 12   and name HA  ))
   (  segid "    " and resid 12   and name HB% )
      6.000     4.500     0.000 peak  2475 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.888 ppm2      1.244 CV     1
 ASSI { 2477}
   (( segid "    " and resid 151  and name HA  ))
   (( segid "    " and resid 150  and name HB1 ))
      6.000     4.500     0.000 peak  2477 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.090 ppm2      0.950 CV     1
 ASSI { 2478}
   (( segid "    " and resid 151  and name HA  ))
   (  segid "    " and resid 151  and name HB% )
      6.000     4.500     0.000 peak  2478 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.081 ppm2      1.208 CV     1
 ASSI { 2480}
   (( segid "    " and resid 114  and name HD1 ))
   (  segid "    " and resid 113  and name HG2%)
      6.000     4.500     0.000 peak  2480 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.184 ppm2      1.180 CV     1
 ASSI { 2482}
   (( segid "    " and resid 114  and name HD1 ))
   (( segid "    " and resid 114  and name HD2 ))
      6.000     4.500     0.000 peak  2482 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.171 ppm2      3.689 CV     1
 ASSI { 2483}
   (( segid "    " and resid 114  and name HD1 ))
   (( segid "    " and resid 114  and name HG1 ))
      6.000     4.500     0.000 peak  2483 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.171 ppm2      2.464 CV     1
 ASSI { 2485}
   (( segid "    " and resid 114  and name HD1 ))
   (( segid "    " and resid 114  and name HB2 ))
      6.000     4.500     0.000 peak  2485 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.162 ppm2      2.902 CV     1
 ASSI { 2487}
   (( segid "    " and resid 114  and name HD2 ))
   (( segid "    " and resid 114  and name HG1 ))
      6.000     4.500     0.000 peak  2487 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.686 ppm2      2.465 CV     1
 ASSI { 2488}
   (( segid "    " and resid 114  and name HD2 ))
   (  segid "    " and resid 105  and name HG2%)
      6.000     4.500     0.000 peak  2488 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.692 ppm2      1.048 CV     1
 OR { 2488}
   (( segid "    " and resid 114  and name HD2 ))
   (  segid "    " and resid 105  and name HG1%)
 ASSI { 2489}
   (( segid "    " and resid 44   and name HD1 ))
   (( segid "    " and resid 44   and name HD2 ))
      6.000     4.500     0.000 peak  2489 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.117 ppm2      3.844 CV     1
 ASSI { 2494}
   (( segid "    " and resid 138  and name HD2 ))
   (( segid "    " and resid 137  and name HB2 ))
      6.000     4.500     0.000 peak  2494 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.025 ppm2      3.394 CV     1
 OR { 2494}
   (( segid "    " and resid 138  and name HD1 ))
   (( segid "    " and resid 137  and name HB2 ))
 ASSI { 2495}
   (( segid "    " and resid 138  and name HD2 ))
   (( segid "    " and resid 137  and name HB1 ))
      6.000     4.500     0.000 peak  2495 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.031 ppm2      3.245 CV     1
 OR { 2495}
   (( segid "    " and resid 138  and name HD1 ))
   (( segid "    " and resid 137  and name HB1 ))
 ASSI { 2504}
   (( segid "    " and resid 51   and name HD1 ))
   (( segid "    " and resid 51   and name HD2 ))
      6.000     4.500     0.000 peak  2504 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.862 ppm2      3.419 CV     1
 ASSI { 2506}
   (( segid "    " and resid 51   and name HD1 ))
   (( segid "    " and resid 51   and name HG1 ))
      6.000     4.500     0.000 peak  2506 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.859 ppm2      1.889 CV     1
 ASSI { 2508}
   (( segid "    " and resid 43   and name HD2 ))
   (( segid "    " and resid 123  and name HB1 ))
      6.000     4.500     0.000 peak  2508 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.840 ppm2      2.770 CV     1
 OR { 2508}
   (( segid "    " and resid 43   and name HD1 ))
   (( segid "    " and resid 123  and name HB1 ))
 ASSI { 2512}
   (( segid "    " and resid 43   and name HD2 ))
   (( segid "    " and resid 43   and name HG2 ))
      6.000     4.500     0.000 peak  2512 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.836 ppm2      2.180 CV     1
 OR { 2512}
   (( segid "    " and resid 43   and name HD1 ))
   (( segid "    " and resid 43   and name HG1 ))
 OR { 2512}
   (( segid "    " and resid 43   and name HD2 ))
   (( segid "    " and resid 43   and name HG1 ))
 OR { 2512}
   (( segid "    " and resid 43   and name HD1 ))
   (( segid "    " and resid 43   and name HG2 ))
 ASSI { 2513}
   (( segid "    " and resid 43   and name HD2 ))
   (  segid "    " and resid 42   and name HG2%)
      6.000     4.500     0.000 peak  2513 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.828 ppm2      1.445 CV     1
 OR { 2513}
   (( segid "    " and resid 43   and name HD1 ))
   (  segid "    " and resid 42   and name HG2%)
 ASSI { 2514}
   (( segid "    " and resid 43   and name HD2 ))
   (( segid "    " and resid 155  and name HG  ))
      6.000     4.500     0.000 peak  2514 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.838 ppm2      0.791 CV     1
 OR { 2514}
   (( segid "    " and resid 43   and name HD1 ))
   (( segid "    " and resid 155  and name HG  ))
 ASSI { 2515}
   (( segid "    " and resid 29   and name HD1 ))
   (( segid "    " and resid 29   and name HG2 ))
      6.000     4.500     0.000 peak  2515 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.672 ppm2      2.038 CV     1
 ASSI { 2516}
   (( segid "    " and resid 29   and name HD1 ))
   (( segid "    " and resid 29   and name HD2 ))
      6.000     4.500     0.000 peak  2516 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.668 ppm2      2.754 CV     1
 ASSI { 2517}
   (( segid "    " and resid 29   and name HD1 ))
   (( segid "    " and resid 28   and name HB  ))
      6.000     4.500     0.000 peak  2517 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.667 ppm2      1.583 CV     1
 ASSI { 2518}
   (( segid "    " and resid 29   and name HD1 ))
   (( segid "    " and resid 64   and name HG  ))
      6.000     4.500     0.000 peak  2518 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.668 ppm2      0.752 CV     1
 ASSI { 2519}
   (( segid "    " and resid 29   and name HD1 ))
   (  segid "    " and resid 28   and name HG2%)
      6.000     4.500     0.000 peak  2519 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.668 ppm2      0.594 CV     1
 ASSI { 2522}
   (( segid "    " and resid 51   and name HD2 ))
   (( segid "    " and resid 10   and name HB1 ))
      6.000     4.500     0.000 peak  2522 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.426 ppm2      2.427 CV     1
 ASSI { 2527}
   (( segid "    " and resid 29   and name HD2 ))
   (( segid "    " and resid 25   and name HA  ))
      6.000     4.500     0.000 peak  2527 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.761 ppm2      3.914 CV     1
 ASSI { 2534}
   (( segid "    " and resid 65   and name HA  ))
   (( segid "    " and resid 66   and name HD2 ))
      6.000     4.500     0.000 peak  2534 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.602 ppm2      3.621 CV     1
 ASSI { 2535}
   (( segid "    " and resid 65   and name HA  ))
   (( segid "    " and resid 66   and name HD1 ))
      6.000     4.500     0.000 peak  2535 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.602 ppm2      3.446 CV     1
 ASSI { 2538}
   (( segid "    " and resid 127  and name HD1 ))
   (( segid "    " and resid 127  and name HD2 ))
      6.000     4.500     0.000 peak  2538 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.402 ppm2      3.225 CV     1
 ASSI { 2540}
   (( segid "    " and resid 127  and name HD1 ))
   (( segid "    " and resid 127  and name HG1 ))
      6.000     4.500     0.000 peak  2540 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.398 ppm2      1.566 CV     1
 ASSI { 2541}
   (( segid "    " and resid 127  and name HD1 ))
   (( segid "    " and resid 154  and name HB2 ))
      6.000     4.500     0.000 peak  2541 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.398 ppm2      1.402 CV     1
 OR { 2541}
   (( segid "    " and resid 127  and name HD1 ))
   (( segid "    " and resid 154  and name HB1 ))
 ASSI { 2542}
   (( segid "    " and resid 127  and name HD1 ))
   (( segid "    " and resid 126  and name HB2 ))
      6.000     4.500     0.000 peak  2542 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.391 ppm2      2.956 CV     1
 ASSI { 2543}
   (( segid "    " and resid 127  and name HD1 ))
   (( segid "    " and resid 155  and name HG  ))
      6.000     4.500     0.000 peak  2543 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.394 ppm2      0.798 CV     1
 ASSI { 2544}
   (( segid "    " and resid 127  and name HD1 ))
   (  segid "    " and resid 155  and name HD1%)
      6.000     4.500     0.000 peak  2544 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.390 ppm2      0.514 CV     1
 OR { 2544}
   (( segid "    " and resid 127  and name HD1 ))
   (  segid "    " and resid 155  and name HD2%)
 ASSI { 2546}
   (( segid "    " and resid 127  and name HD2 ))
   (( segid "    " and resid 126  and name HB2 ))
      6.000     4.500     0.000 peak  2546 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.229 ppm2      2.960 CV     1
 ASSI { 2547}
   (( segid "    " and resid 127  and name HD2 ))
   (( segid "    " and resid 127  and name HB1 ))
      6.000     4.500     0.000 peak  2547 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.231 ppm2      2.719 CV     1
 ASSI { 2548}
   (( segid "    " and resid 127  and name HD2 ))
   (( segid "    " and resid 155  and name HB2 ))
      6.000     4.500     0.000 peak  2548 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.233 ppm2      1.417 CV     1
 OR { 2548}
   (( segid "    " and resid 127  and name HD2 ))
   (( segid "    " and resid 155  and name HB1 ))
 ASSI { 2550}
   (( segid "    " and resid 127  and name HD2 ))
   (( segid "    " and resid 127  and name HG1 ))
      6.000     4.500     0.000 peak  2550 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.225 ppm2      1.564 CV     1
 ASSI { 2551}
   (( segid "    " and resid 127  and name HD2 ))
   (  segid "    " and resid 155  and name HD1%)
      6.000     4.500     0.000 peak  2551 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.227 ppm2      0.508 CV     1
 OR { 2551}
   (( segid "    " and resid 127  and name HD2 ))
   (  segid "    " and resid 155  and name HD2%)
 ASSI { 2553}
   (( segid "    " and resid 65   and name HA  ))
   (  segid "    " and resid 65   and name HB% )
      6.000     4.500     0.000 peak  2553 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.602 ppm2      1.457 CV     1
 ASSI { 2554}
   (( segid "    " and resid 14   and name HD2 ))
   (( segid "    " and resid 14   and name HB2 ))
      6.000     4.500     0.000 peak  2554 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.730 ppm2      1.157 CV     1
 ASSI { 2556}
   (( segid "    " and resid 14   and name HD2 ))
   (( segid "    " and resid 14   and name HG1 ))
      6.000     4.500     0.000 peak  2556 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.731 ppm2      1.450 CV     1
 ASSI { 2557}
   (( segid "    " and resid 14   and name HD1 ))
   (( segid "    " and resid 14   and name HB2 ))
      6.000     4.500     0.000 peak  2557 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.620 ppm2      1.157 CV     1
 ASSI { 2559}
   (( segid "    " and resid 14   and name HD1 ))
   (( segid "    " and resid 14   and name HG2 ))
      6.000     4.500     0.000 peak  2559 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.611 ppm2      2.168 CV     1
 ASSI { 2561}
   (( segid "    " and resid 91   and name HD2 ))
   (( segid "    " and resid 90   and name HA2 ))
      6.000     4.500     0.000 peak  2561 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.683 ppm2      4.334 CV     1
 ASSI { 2566}
   (( segid "    " and resid 91   and name HD1 ))
   (( segid "    " and resid 90   and name HA2 ))
      6.000     4.500     0.000 peak  2566 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.494 ppm2      4.334 CV     1
 ASSI { 2567}
   (( segid "    " and resid 91   and name HD1 ))
   (( segid "    " and resid 90   and name HA1 ))
      6.000     4.500     0.000 peak  2567 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.497 ppm2      3.928 CV     1
 ASSI { 2568}
   (( segid "    " and resid 91   and name HD1 ))
   (( segid "    " and resid 91   and name HD2 ))
      6.000     4.500     0.000 peak  2568 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.493 ppm2      3.673 CV     1
 ASSI { 2569}
   (( segid "    " and resid 91   and name HD1 ))
   (( segid "    " and resid 91   and name HG1 ))
      6.000     4.500     0.000 peak  2569 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.495 ppm2      2.068 CV     1
 OR { 2569}
   (( segid "    " and resid 91   and name HD1 ))
   (( segid "    " and resid 91   and name HG2 ))
 ASSI { 2570}
   (( segid "    " and resid 133  and name HD1 ))
   (( segid "    " and resid 133  and name HD2 ))
      6.000     4.500     0.000 peak  2570 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.435 ppm2      3.118 CV     1
 ASSI { 2575}
   (( segid "    " and resid 133  and name HD2 ))
   (( segid "    " and resid 133  and name HG2 ))
      6.000     4.500     0.000 peak  2575 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.120 ppm2      1.797 CV     1
 OR { 2575}
   (( segid "    " and resid 133  and name HD2 ))
   (( segid "    " and resid 133  and name HG1 ))
 ASSI { 2576}
   (( segid "    " and resid 66   and name HD2 ))
   (( segid "    " and resid 66   and name HB2 ))
      6.000     4.500     0.000 peak  2576 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.633 ppm2      1.296 CV     1
 ASSI { 2578}
   (( segid "    " and resid 66   and name HD2 ))
   (( segid "    " and resid 66   and name HD1 ))
      6.000     4.500     0.000 peak  2578 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.629 ppm2      3.426 CV     1
 ASSI { 2579}
   (( segid "    " and resid 66   and name HD2 ))
   (( segid "    " and resid 66   and name HG2 ))
      6.000     4.500     0.000 peak  2579 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.627 ppm2      1.744 CV     1
 ASSI { 2580}
   (( segid "    " and resid 66   and name HD2 ))
   (  segid "    " and resid 65   and name HB% )
      6.000     4.500     0.000 peak  2580 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.626 ppm2      1.454 CV     1
 ASSI { 2581}
   (( segid "    " and resid 66   and name HD2 ))
   (( segid "    " and resid 66   and name HG1 ))
      6.000     4.500     0.000 peak  2581 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.627 ppm2      0.775 CV     1
 ASSI { 2582}
   (( segid "    " and resid 66   and name HD2 ))
   (( segid "    " and resid 66   and name HB1 ))
      6.000     4.500     0.000 peak  2582 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.625 ppm2      0.564 CV     1
 ASSI { 2585}
   (( segid "    " and resid 66   and name HD1 ))
   (( segid "    " and resid 66   and name HG2 ))
      6.000     4.500     0.000 peak  2585 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.430 ppm2      1.775 CV     1
 ASSI { 2586}
   (( segid "    " and resid 133  and name HD1 ))
   (( segid "    " and resid 133  and name HB2 ))
      6.000     4.500     0.000 peak  2586 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.431 ppm2      1.598 CV     1
 ASSI { 2587}
   (( segid "    " and resid 66   and name HD1 ))
   (  segid "    " and resid 65   and name HB% )
      6.000     4.500     0.000 peak  2587 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.428 ppm2      1.457 CV     1
 ASSI { 2588}
   (( segid "    " and resid 66   and name HD1 ))
   (( segid "    " and resid 66   and name HB2 ))
      6.000     4.500     0.000 peak  2588 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.426 ppm2      1.295 CV     1
 ASSI { 2589}
   (( segid "    " and resid 133  and name HD1 ))
   (  segid "    " and resid 132  and name HB% )
      6.000     4.500     0.000 peak  2589 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.432 ppm2      1.007 CV     1
 ASSI { 2590}
   (( segid "    " and resid 66   and name HD1 ))
   (( segid "    " and resid 66   and name HG1 ))
      6.000     4.500     0.000 peak  2590 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.427 ppm2      0.787 CV     1
 ASSI { 2591}
   (( segid "    " and resid 66   and name HD1 ))
   (( segid "    " and resid 66   and name HB1 ))
      6.000     4.500     0.000 peak  2591 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.423 ppm2      0.573 CV     1
 ASSI { 2592}
   (( segid "    " and resid 133  and name HD2 ))
   (  segid "    " and resid 132  and name HB% )
      6.000     4.500     0.000 peak  2592 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.130 ppm2      1.011 CV     1
 ASSI { 2593}
   (( segid "    " and resid 133  and name HD2 ))
   (( segid "    " and resid 133  and name HB2 ))
      6.000     4.500     0.000 peak  2593 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.117 ppm2      1.608 CV     1
 ASSI { 2594}
   (( segid "    " and resid 100  and name HB1 ))
   (( segid "    " and resid 100  and name HG  ))
      6.000     4.500     0.000 peak  2594 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.816 ppm2      1.610 CV     1
 ASSI { 2595}
   (( segid "    " and resid 100  and name HB2 ))
   (  segid "    " and resid 100  and name HD1%)
      6.000     4.500     0.000 peak  2595 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.019 ppm2      0.673 CV     1
 ASSI { 2596}
   (( segid "    " and resid 100  and name HB2 ))
   (( segid "    " and resid 4    and name HB2 ))
      6.000     4.500     0.000 peak  2596 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.007 ppm2      2.732 CV     1
 ASSI { 2598}
   (( segid "    " and resid 100  and name HB2 ))
   (( segid "    " and resid 100  and name HB1 ))
      6.000     4.500     0.000 peak  2598 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.996 ppm2      1.809 CV     1
 ASSI { 2599}
   (( segid "    " and resid 100  and name HB2 ))
   (( segid "    " and resid 100  and name HG  ))
      6.000     4.500     0.000 peak  2599 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.001 ppm2      1.614 CV     1
 ASSI { 2600}
   (( segid "    " and resid 100  and name HB2 ))
   (  segid "    " and resid 100  and name HD2%)
      6.000     4.500     0.000 peak  2600 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.998 ppm2      1.071 CV     1
 ASSI { 2602}
   (( segid "    " and resid 100  and name HB1 ))
   (( segid "    " and resid 4    and name HB2 ))
      6.000     4.500     0.000 peak  2602 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.813 ppm2      2.735 CV     1
 ASSI { 2603}
   (( segid "    " and resid 100  and name HB1 ))
   (  segid "    " and resid 100  and name HD2%)
      6.000     4.500     0.000 peak  2603 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.814 ppm2      1.082 CV     1
 ASSI { 2607}
   (( segid "    " and resid 11   and name HB2 ))
   (( segid "    " and resid 11   and name HB1 ))
      6.000     4.500     0.000 peak  2607 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.250 ppm2      0.958 CV     1
 ASSI { 2612}
   (( segid "    " and resid 11   and name HB1 ))
   (  segid "    " and resid 11   and name HD1%)
      6.000     4.500     0.000 peak  2612 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.953 ppm2      0.740 CV     1
 OR { 2612}
   (( segid "    " and resid 11   and name HB1 ))
   (  segid "    " and resid 11   and name HD2%)
 ASSI { 2616}
   (( segid "    " and resid 122  and name HA1 ))
   (( segid "    " and resid 125  and name HB1 ))
      6.000     4.500     0.000 peak  2616 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.163 ppm2      1.063 CV     1
 ASSI { 2617}
   (( segid "    " and resid 122  and name HA1 ))
   (( segid "    " and resid 125  and name HG  ))
      6.000     4.500     0.000 peak  2617 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.160 ppm2      0.339 CV     1
 ASSI { 2618}
   (( segid "    " and resid 122  and name HA1 ))
   (( segid "    " and resid 152  and name HB1 ))
      6.000     4.500     0.000 peak  2618 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.145 ppm2      2.706 CV     1
 ASSI { 2619}
   (( segid "    " and resid 102  and name HA1 ))
   (( segid "    " and resid 1    and name HA  ))
      6.000     4.500     0.000 peak  2619 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.897 ppm2      3.619 CV     1
 OR { 2619}
   (( segid "    " and resid 102  and name HA2 ))
   (( segid "    " and resid 1    and name HA  ))
 ASSI { 2620}
   (( segid "    " and resid 102  and name HA1 ))
   (( segid "    " and resid 103  and name HB2 ))
      6.000     4.500     0.000 peak  2620 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.884 ppm2      3.008 CV     1
 OR { 2620}
   (( segid "    " and resid 102  and name HA2 ))
   (( segid "    " and resid 103  and name HB2 ))
 ASSI { 2621}
   (( segid "    " and resid 102  and name HA1 ))
   (( segid "    " and resid 103  and name HB1 ))
      6.000     4.500     0.000 peak  2621 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.884 ppm2      2.669 CV     1
 OR { 2621}
   (( segid "    " and resid 102  and name HA2 ))
   (( segid "    " and resid 103  and name HB1 ))
 ASSI { 2622}
   (( segid "    " and resid 102  and name HA1 ))
   (( segid "    " and resid 104  and name HG1 ))
      6.000     4.500     0.000 peak  2622 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.883 ppm2      2.608 CV     1
 OR { 2622}
   (( segid "    " and resid 102  and name HA2 ))
   (( segid "    " and resid 104  and name HG1 ))
 ASSI { 2623}
   (( segid "    " and resid 102  and name HA1 ))
   (( segid "    " and resid 104  and name HG2 ))
      6.000     4.500     0.000 peak  2623 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.885 ppm2      2.550 CV     1
 OR { 2623}
   (( segid "    " and resid 102  and name HA2 ))
   (( segid "    " and resid 104  and name HG2 ))
 ASSI { 2625}
   (( segid "    " and resid 102  and name HA1 ))
   (( segid "    " and resid 1    and name HG21))
      6.000     4.500     0.000 peak  2625 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.888 ppm2      0.558 CV     1
 OR { 2625}
   (( segid "    " and resid 102  and name HA2 ))
   (( segid "    " and resid 1    and name HG21))
 ASSI { 2626}
   (( segid "    " and resid 122  and name HA2 ))
   (( segid "    " and resid 122  and name HA1 ))
      6.000     4.500     0.000 peak  2626 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.877 ppm2      4.152 CV     1
 ASSI { 2628}
   (( segid "    " and resid 122  and name HA2 ))
   (( segid "    " and resid 125  and name HB2 ))
      6.000     4.500     0.000 peak  2628 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.880 ppm2      0.955 CV     1
 ASSI { 2629}
   (( segid "    " and resid 122  and name HA2 ))
   (( segid "    " and resid 125  and name HG  ))
      6.000     4.500     0.000 peak  2629 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.880 ppm2      0.330 CV     1
 ASSI { 2630}
   (( segid "    " and resid 122  and name HA2 ))
   (  segid "    " and resid 147  and name HD2%)
      6.000     4.500     0.000 peak  2630 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.879 ppm2     -0.571 CV     1
 ASSI { 2631}
   (( segid "    " and resid 122  and name HA2 ))
   (( segid "    " and resid 125  and name HB1 ))
      6.000     4.500     0.000 peak  2631 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.875 ppm2      1.053 CV     1
 ASSI { 2632}
   (( segid "    " and resid 122  and name HA2 ))
   (( segid "    " and resid 155  and name HG  ))
      6.000     4.500     0.000 peak  2632 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.867 ppm2      0.799 CV     1
 ASSI { 2633}
   (( segid "    " and resid 11   and name HB2 ))
   (( segid "    " and resid 93   and name HA  ))
      6.000     4.500     0.000 peak  2633 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.254 ppm2      4.016 CV     1
 ASSI { 2635}
   (( segid "    " and resid 60   and name HB1 ))
   (  segid "    " and resid 60   and name HD2%)
      6.000     4.500     0.000 peak  2635 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.848 ppm2      0.721 CV     1
 ASSI { 2638}
   (( segid "    " and resid 60   and name HB1 ))
   (( segid "    " and resid 60   and name HB2 ))
      6.000     4.500     0.000 peak  2638 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.846 ppm2      1.011 CV     1
 ASSI { 2645}
   (( segid "    " and resid 60   and name HB2 ))
   (  segid "    " and resid 60   and name HD2%)
      6.000     4.500     0.000 peak  2645 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.026 ppm2      0.712 CV     1
 ASSI { 2647}
   (( segid "    " and resid 81   and name HA2 ))
   (( segid "    " and resid 81   and name HA1 ))
      6.000     4.500     0.000 peak  2647 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.129 ppm2      3.848 CV     1
 ASSI { 2650}
   (( segid "    " and resid 26   and name HA2 ))
   (  segid "    " and resid 33   and name HD1%)
      6.000     4.500     0.000 peak  2650 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.979 ppm2      0.904 CV     1
 ASSI { 2656}
   (( segid "    " and resid 55   and name HB1 ))
   (( segid "    " and resid 55   and name HB2 ))
      6.000     4.500     0.000 peak  2656 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.360 ppm2      2.226 CV     1
 ASSI { 2657}
   (( segid "    " and resid 55   and name HB1 ))
   (( segid "    " and resid 127  and name HG2 ))
      6.000     4.500     0.000 peak  2657 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.361 ppm2      2.070 CV     1
 ASSI { 2661}
   (( segid "    " and resid 111  and name HB2 ))
   (( segid "    " and resid 111  and name HA  ))
      6.000     4.500     0.000 peak  2661 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.342 ppm2      3.911 CV     1
 ASSI { 2662}
   (( segid "    " and resid 111  and name HB2 ))
   (( segid "    " and resid 111  and name HB1 ))
      6.000     4.500     0.000 peak  2662 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.341 ppm2      0.922 CV     1
 ASSI { 2663}
   (( segid "    " and resid 111  and name HB2 ))
   (  segid "    " and resid 111  and name HD1%)
      6.000     4.500     0.000 peak  2663 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.343 ppm2      0.343 CV     1
 ASSI { 2667}
   (( segid "    " and resid 111  and name HB1 ))
   (  segid "    " and resid 111  and name HD1%)
      6.000     4.500     0.000 peak  2667 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.912 ppm2      0.349 CV     1
 ASSI { 2668}
   (( segid "    " and resid 140  and name HA2 ))
   (( segid "    " and resid 140  and name HA1 ))
      6.000     4.500     0.000 peak  2668 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.408 ppm2      3.530 CV     1
 ASSI { 2669}
   (( segid "    " and resid 140  and name HA2 ))
   (  segid "    " and resid 136  and name HG2%)
      6.000     4.500     0.000 peak  2669 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.408 ppm2      1.028 CV     1
 ASSI { 2671}
   (( segid "    " and resid 140  and name HA1 ))
   (  segid "    " and resid 136  and name HG2%)
      6.000     4.500     0.000 peak  2671 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.533 ppm2      1.030 CV     1
 ASSI { 2672}
   (( segid "    " and resid 95   and name HB2 ))
   (( segid "    " and resid 95   and name HB1 ))
      6.000     4.500     0.000 peak  2672 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.973 ppm2      2.271 CV     1
 ASSI { 2673}
   (( segid "    " and resid 121  and name HD2 ))
   (( segid "    " and resid 121  and name HG2 ))
      6.000     4.500     0.000 peak  2673 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.439 ppm2      1.341 CV     1
 ASSI { 2675}
   (( segid "    " and resid 121  and name HD1 ))
   (( segid "    " and resid 121  and name HB2 ))
      6.000     4.500     0.000 peak  2675 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.373 ppm2      0.853 CV     1
 ASSI { 2676}
   (( segid "    " and resid 121  and name HD1 ))
   (( segid "    " and resid 121  and name HG1 ))
      6.000     4.500     0.000 peak  2676 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.360 ppm2      0.718 CV     1
 ASSI { 2677}
   (( segid "    " and resid 121  and name HD1 ))
   (( segid "    " and resid 121  and name HB1 ))
      6.000     4.500     0.000 peak  2677 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.359 ppm2     -0.662 CV     1
 ASSI { 2681}
   (( segid "    " and resid 95   and name HB1 ))
   (( segid "    " and resid 94   and name HG  ))
      6.000     4.500     0.000 peak  2681 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.273 ppm2      1.491 CV     1
 ASSI { 2685}
   (( segid "    " and resid 94   and name HB1 ))
   (( segid "    " and resid 80   and name HB1 ))
      6.000     4.500     0.000 peak  2685 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.531 ppm2      1.788 CV     1
 OR { 2685}
   (( segid "    " and resid 94   and name HB2 ))
   (( segid "    " and resid 80   and name HB1 ))
 ASSI { 2686}
   (( segid "    " and resid 90   and name HA2 ))
   (( segid "    " and resid 90   and name HA1 ))
      6.000     4.500     0.000 peak  2686 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.332 ppm2      3.926 CV     1
 ASSI { 2690}
   (( segid "    " and resid 90   and name HA1 ))
   (( segid "    " and resid 91   and name HD2 ))
      6.000     4.500     0.000 peak  2690 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.933 ppm2      3.678 CV     1
 ASSI { 2694}
   (( segid "    " and resid 121  and name HD1 ))
   (( segid "    " and resid 121  and name HG2 ))
      6.000     4.500     0.000 peak  2694 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.360 ppm2      1.351 CV     1
 ASSI { 2695}
   (( segid "    " and resid 54   and name HB2 ))
   (( segid "    " and resid 54   and name HB1 ))
      6.000     4.500     0.000 peak  2695 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.955 ppm2      0.380 CV     1
 ASSI { 2696}
   (( segid "    " and resid 54   and name HB2 ))
   (  segid "    " and resid 54   and name HD1%)
      6.000     4.500     0.000 peak  2696 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.952 ppm2     -0.635 CV     1
 OR { 2696}
   (( segid "    " and resid 54   and name HB2 ))
   (  segid "    " and resid 54   and name HD2%)
 ASSI { 2699}
   (( segid "    " and resid 54   and name HB1 ))
   (( segid "    " and resid 14   and name HB2 ))
      6.000     4.500     0.000 peak  2699 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.392 ppm2      1.144 CV     1
 ASSI { 2703}
   (( segid "    " and resid 54   and name HB1 ))
   (  segid "    " and resid 54   and name HD2%)
      6.000     4.500     0.000 peak  2703 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.382 ppm2     -0.633 CV     1
 OR { 2703}
   (( segid "    " and resid 54   and name HB1 ))
   (  segid "    " and resid 54   and name HD1%)
 ASSI { 2706}
   (( segid "    " and resid 117  and name HB2 ))
   (( segid "    " and resid 117  and name HB1 ))
      6.000     4.500     0.000 peak  2706 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.523 ppm2      0.879 CV     1
 ASSI { 2708}
   (( segid "    " and resid 144  and name HD1 ))
   (( segid "    " and resid 144  and name HB2 ))
      6.000     4.500     0.000 peak  2708 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.393 ppm2      2.125 CV     1
 ASSI { 2721}
   (( segid "    " and resid 144  and name HD1 ))
   (( segid "    " and resid 144  and name HB1 ))
      6.000     4.500     0.000 peak  2721 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.388 ppm2      1.794 CV     1
 ASSI { 2722}
   (( segid "    " and resid 144  and name HD1 ))
   (( segid "    " and resid 144  and name HG2 ))
      6.000     4.500     0.000 peak  2722 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.387 ppm2      1.598 CV     1
 ASSI { 2723}
   (( segid "    " and resid 144  and name HD2 ))
   (( segid "    " and resid 144  and name HB2 ))
      6.000     4.500     0.000 peak  2723 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.277 ppm2      2.127 CV     1
 ASSI { 2724}
   (( segid "    " and resid 144  and name HD2 ))
   (( segid "    " and resid 144  and name HG2 ))
      6.000     4.500     0.000 peak  2724 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.276 ppm2      1.609 CV     1
 ASSI { 2725}
   (( segid "    " and resid 84   and name HD1 ))
   (( segid "    " and resid 84   and name HA  ))
      6.000     4.500     0.000 peak  2725 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.236 ppm2      4.268 CV     1
 OR { 2725}
   (( segid "    " and resid 84   and name HD2 ))
   (( segid "    " and resid 84   and name HA  ))
 ASSI { 2727}
   (( segid "    " and resid 84   and name HD2 ))
   (( segid "    " and resid 84   and name HG1 ))
      6.000     4.500     0.000 peak  2727 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.232 ppm2      1.670 CV     1
 OR { 2727}
   (( segid "    " and resid 84   and name HD1 ))
   (( segid "    " and resid 84   and name HG2 ))
 OR { 2727}
   (( segid "    " and resid 84   and name HD2 ))
   (( segid "    " and resid 84   and name HG2 ))
 OR { 2727}
   (( segid "    " and resid 84   and name HD1 ))
   (( segid "    " and resid 84   and name HG1 ))
 ASSI { 2728}
   (( segid "    " and resid 84   and name HD1 ))
   (  segid "    " and resid 83   and name HG1%)
      6.000     4.500     0.000 peak  2728 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.234 ppm2      0.978 CV     1
 OR { 2728}
   (( segid "    " and resid 84   and name HD2 ))
   (  segid "    " and resid 83   and name HG1%)
 OR { 2728}
   (( segid "    " and resid 84   and name HD1 ))
   (  segid "    " and resid 83   and name HG2%)
 OR { 2728}
   (( segid "    " and resid 84   and name HD2 ))
   (  segid "    " and resid 83   and name HG2%)
 ASSI { 2738}
   (( segid "    " and resid 88   and name HD2 ))
   (( segid "    " and resid 88   and name HD1 ))
      6.000     4.500     0.000 peak  2738 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.914 ppm2      2.729 CV     1
 ASSI { 2739}
   (( segid "    " and resid 88   and name HD2 ))
   (( segid "    " and resid 88   and name HB2 ))
      6.000     4.500     0.000 peak  2739 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.913 ppm2      1.691 CV     1
 ASSI { 2740}
   (( segid "    " and resid 88   and name HD2 ))
   (( segid "    " and resid 88   and name HB1 ))
      6.000     4.500     0.000 peak  2740 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.912 ppm2      1.520 CV     1
 ASSI { 2741}
   (( segid "    " and resid 88   and name HD1 ))
   (( segid "    " and resid 88   and name HA  ))
      6.000     4.500     0.000 peak  2741 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.737 ppm2      4.076 CV     1
 ASSI { 2750}
   (( segid "    " and resid 34   and name HB1 ))
   (  segid "    " and resid 34   and name HD2%)
      6.000     4.500     0.000 peak  2750 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.677 ppm2      0.825 CV     1
 OR { 2750}
   (( segid "    " and resid 34   and name HB1 ))
   (  segid "    " and resid 34   and name HD1%)
 ASSI { 2752}
   (( segid "    " and resid 34   and name HB2 ))
   (  segid "    " and resid 34   and name HD1%)
      6.000     4.500     0.000 peak  2752 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.562 ppm2      0.825 CV     1
 OR { 2752}
   (( segid "    " and resid 34   and name HB2 ))
   (  segid "    " and resid 34   and name HD2%)
 ASSI { 2753}
   (( segid "    " and resid 34   and name HB2 ))
   (( segid "    " and resid 34   and name HB1 ))
      6.000     4.500     0.000 peak  2753 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.553 ppm2      1.680 CV     1
 ASSI { 2766}
   (( segid "    " and resid 125  and name HB1 ))
   (  segid "    " and resid 147  and name HD2%)
      6.000     4.500     0.000 peak  2766 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.068 ppm2     -0.561 CV     1
 ASSI { 2771}
   (( segid "    " and resid 96   and name HB1 ))
   (( segid "    " and resid 76   and name HB  ))
      6.000     4.500     0.000 peak  2771 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.959 ppm2      1.876 CV     1
 ASSI { 2773}
   (( segid "    " and resid 125  and name HB2 ))
   (  segid "    " and resid 125  and name HD1%)
      6.000     4.500     0.000 peak  2773 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.955 ppm2      0.477 CV     1
 OR { 2773}
   (( segid "    " and resid 125  and name HB2 ))
   (  segid "    " and resid 125  and name HD2%)
 ASSI { 2774}
   (( segid "    " and resid 125  and name HB2 ))
   (( segid "    " and resid 125  and name HG  ))
      6.000     4.500     0.000 peak  2774 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.959 ppm2      0.326 CV     1
 ASSI { 2775}
   (( segid "    " and resid 125  and name HB2 ))
   (  segid "    " and resid 147  and name HD2%)
      6.000     4.500     0.000 peak  2775 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.955 ppm2     -0.568 CV     1
 ASSI { 2779}
   (( segid "    " and resid 75   and name HD1 ))
   (( segid "    " and resid 75   and name HD2 ))
      6.000     4.500     0.000 peak  2779 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.352 ppm2      3.192 CV     1
 ASSI { 2781}
   (( segid "    " and resid 75   and name HD1 ))
   (( segid "    " and resid 75   and name HB1 ))
      6.000     4.500     0.000 peak  2781 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.353 ppm2      2.333 CV     1
 ASSI { 2782}
   (( segid "    " and resid 75   and name HD1 ))
   (( segid "    " and resid 76   and name HB  ))
      6.000     6.000     0.000 peak  2782 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.349 ppm2      1.889 CV     1
 ASSI { 2783}
   (( segid "    " and resid 75   and name HD1 ))
   (( segid "    " and resid 75   and name HG1 ))
      6.000     4.500     0.000 peak  2783 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.353 ppm2      1.682 CV     1
 ASSI { 2785}
   (( segid "    " and resid 41   and name HD2 ))
   (( segid "    " and resid 158  and name HA  ))
      6.000     4.500     0.000 peak  2785 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.193 ppm2      3.979 CV     1
 ASSI { 2786}
   (( segid "    " and resid 75   and name HD2 ))
   (( segid "    " and resid 75   and name HB1 ))
      6.000     4.500     0.000 peak  2786 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.189 ppm2      2.344 CV     1
 ASSI { 2787}
   (( segid "    " and resid 75   and name HD2 ))
   (( segid "    " and resid 75   and name HG1 ))
      6.000     4.500     0.000 peak  2787 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.190 ppm2      1.704 CV     1
 ASSI { 2788}
   (( segid "    " and resid 41   and name HD2 ))
   (( segid "    " and resid 41   and name HD1 ))
      6.000     4.500     0.000 peak  2788 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.185 ppm2      2.844 CV     1
 ASSI { 2791}
   (( segid "    " and resid 41   and name HD1 ))
   (( segid "    " and resid 158  and name HA  ))
      6.000     4.500     0.000 peak  2791 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.846 ppm2      3.975 CV     1
 ASSI { 2793}
   (( segid "    " and resid 41   and name HD1 ))
   (( segid "    " and resid 41   and name HB1 ))
      6.000     4.500     0.000 peak  2793 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.843 ppm2      1.750 CV     1
 OR { 2793}
   (( segid "    " and resid 41   and name HD1 ))
   (( segid "    " and resid 41   and name HB2 ))
 ASSI { 2794}
   (( segid "    " and resid 41   and name HD1 ))
   (( segid "    " and resid 41   and name HG2 ))
      6.000     4.500     0.000 peak  2794 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.847 ppm2      1.598 CV     1
 ASSI { 2795}
   (( segid "    " and resid 41   and name HD1 ))
   (( segid "    " and resid 41   and name HG1 ))
      6.000     4.500     0.000 peak  2795 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.838 ppm2      1.292 CV     1
 ASSI { 2800}
   (( segid "    " and resid 64   and name HB1 ))
   (( segid "    " and resid 64   and name HA  ))
      6.000     4.500     0.000 peak  2800 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.493 ppm2      4.234 CV     1
 ASSI { 2801}
   (( segid "    " and resid 64   and name HB1 ))
   (( segid "    " and resid 64   and name HB2 ))
      6.000     4.500     0.000 peak  2801 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.492 ppm2      1.749 CV     1
 ASSI { 2802}
   (( segid "    " and resid 64   and name HB1 ))
   (( segid "    " and resid 64   and name HG  ))
      6.000     4.500     0.000 peak  2802 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.490 ppm2      0.762 CV     1
 ASSI { 2808}
   (( segid "    " and resid 96   and name HB1 ))
   (( segid "    " and resid 96   and name HB2 ))
      6.000     4.500     0.000 peak  2808 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.952 ppm2      2.152 CV     1
 ASSI { 2819}
   (( segid "    " and resid 41   and name HD2 ))
   (( segid "    " and resid 41   and name HG1 ))
      6.000     4.500     0.000 peak  2819 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.185 ppm2      1.292 CV     1
 ASSI { 2820}
   (( segid "    " and resid 25   and name HB1 ))
   (( segid "    " and resid 25   and name HA  ))
      6.000     4.500     0.000 peak  2820 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.123 ppm2      3.909 CV     1
 ASSI { 2821}
   (( segid "    " and resid 25   and name HB1 ))
   (( segid "    " and resid 25   and name HG  ))
      6.000     4.500     0.000 peak  2821 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.132 ppm2      1.976 CV     1
 ASSI { 2823}
   (( segid "    " and resid 25   and name HB1 ))
   (( segid "    " and resid 25   and name HB2 ))
      6.000     4.500     0.000 peak  2823 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.131 ppm2      1.196 CV     1
 ASSI { 2824}
   (( segid "    " and resid 25   and name HB1 ))
   (  segid "    " and resid 25   and name HD2%)
      6.000     4.500     0.000 peak  2824 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.133 ppm2      0.845 CV     1
 OR { 2824}
   (( segid "    " and resid 25   and name HB1 ))
   (  segid "    " and resid 25   and name HD1%)
 ASSI { 2827}
   (( segid "    " and resid 135  and name HB2 ))
   (( segid "    " and resid 143  and name HB2 ))
      6.000     4.500     0.000 peak  2827 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.732 ppm2      2.213 CV     1
 ASSI { 2829}
   (( segid "    " and resid 135  and name HB2 ))
   (  segid "    " and resid 135  and name HD1%)
      6.000     4.500     0.000 peak  2829 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.731 ppm2      0.377 CV     1
 ASSI { 2830}
   (( segid "    " and resid 135  and name HB2 ))
   (  segid "    " and resid 135  and name HD2%)
      6.000     4.500     0.000 peak  2830 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.731 ppm2      0.116 CV     1
 ASSI { 2831}
   (( segid "    " and resid 15   and name HB1 ))
   (( segid "    " and resid 16   and name HG1 ))
      6.000     4.500     0.000 peak  2831 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.729 ppm2      2.379 CV     1
 OR { 2831}
   (( segid "    " and resid 15   and name HB1 ))
   (( segid "    " and resid 16   and name HG2 ))
 ASSI { 2833}
   (( segid "    " and resid 135  and name HB1 ))
   (( segid "    " and resid 135  and name HA  ))
      6.000     4.500     0.000 peak  2833 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.317 ppm2      3.844 CV     1
 ASSI { 2834}
   (( segid "    " and resid 135  and name HB1 ))
   (  segid "    " and resid 135  and name HD2%)
      6.000     4.500     0.000 peak  2834 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.320 ppm2      0.113 CV     1
 ASSI { 2835}
   (( segid "    " and resid 135  and name HB1 ))
   (  segid "    " and resid 135  and name HD1%)
      6.000     4.500     0.000 peak  2835 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.312 ppm2      0.378 CV     1
 ASSI { 2837}
   (( segid "    " and resid 25   and name HB2 ))
   (  segid "    " and resid 25   and name HD1%)
      6.000     4.500     0.000 peak  2837 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.200 ppm2      0.847 CV     1
 OR { 2837}
   (( segid "    " and resid 25   and name HB2 ))
   (  segid "    " and resid 25   and name HD2%)
 ASSI { 2845}
   (( segid "    " and resid 150  and name HD1 ))
   (( segid "    " and resid 150  and name HG2 ))
      6.000     4.500     0.000 peak  2845 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.114 ppm2      1.475 CV     1
 ASSI { 2846}
   (( segid "    " and resid 150  and name HD1 ))
   (( segid "    " and resid 150  and name HB2 ))
      6.000     4.500     0.000 peak  2846 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.116 ppm2      1.265 CV     1
 ASSI { 2848}
   (( segid "    " and resid 150  and name HD1 ))
   (  segid "    " and resid 146  and name HG2%)
      6.000     4.500     0.000 peak  2848 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.116 ppm2      0.752 CV     1
 ASSI { 2850}
   (( segid "    " and resid 150  and name HD2 ))
   (( segid "    " and resid 150  and name HB2 ))
      6.000     4.500     0.000 peak  2850 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.009 ppm2      1.298 CV     1
 ASSI { 2855}
   (( segid "    " and resid 150  and name HD2 ))
   (  segid "    " and resid 125  and name HD1%)
      6.000     4.500     0.000 peak  2855 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.973 ppm2      0.487 CV     1
 ASSI { 2856}
   (( segid "    " and resid 157  and name HE1 ))
   (( segid "    " and resid 157  and name HG1 ))
      6.000     4.500     0.000 peak  2856 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.958 ppm2      1.624 CV     1
 OR { 2856}
   (( segid "    " and resid 157  and name HE2 ))
   (( segid "    " and resid 157  and name HG1 ))
 ASSI { 2858}
   (( segid "    " and resid 128  and name HB2 ))
   (( segid "    " and resid 128  and name HG  ))
      6.000     4.500     0.000 peak  2858 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.043 ppm2      0.309 CV     1
 ASSI { 2860}
   (( segid "    " and resid 128  and name HB2 ))
   (( segid "    " and resid 128  and name HB1 ))
      6.000     4.500     0.000 peak  2860 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.036 ppm2      1.221 CV     1
 ASSI { 2861}
   (( segid "    " and resid 128  and name HB2 ))
   (  segid "    " and resid 128  and name HD1%)
      6.000     4.500     0.000 peak  2861 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.039 ppm2      0.585 CV     1
 OR { 2861}
   (( segid "    " and resid 128  and name HB2 ))
   (  segid "    " and resid 128  and name HD2%)
 ASSI { 2864}
   (( segid "    " and resid 15   and name HB1 ))
   (  segid "    " and resid 15   and name HD2%)
      6.000     4.500     0.000 peak  2864 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.726 ppm2      1.008 CV     1
 OR { 2864}
   (( segid "    " and resid 15   and name HB1 ))
   (  segid "    " and resid 15   and name HD1%)
 ASSI { 2865}
   (( segid "    " and resid 15   and name HB1 ))
   (  segid "    " and resid 54   and name HD2%)
      6.000     4.500     0.000 peak  2865 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.709 ppm2     -0.627 CV     1
 OR { 2865}
   (( segid "    " and resid 15   and name HB1 ))
   (  segid "    " and resid 54   and name HD1%)
 ASSI { 2867}
   (( segid "    " and resid 45   and name HB2 ))
   (( segid "    " and resid 121  and name HG1 ))
      6.000     4.500     0.000 peak  2867 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.625 ppm2      0.692 CV     1
 OR { 2867}
   (( segid "    " and resid 45   and name HB1 ))
   (( segid "    " and resid 121  and name HG1 ))
 ASSI { 2868}
   (( segid "    " and resid 45   and name HB1 ))
   (( segid "    " and resid 45   and name HG  ))
      6.000     4.500     0.000 peak  2868 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.608 ppm2      1.346 CV     1
 OR { 2868}
   (( segid "    " and resid 45   and name HB2 ))
   (( segid "    " and resid 45   and name HG  ))
 ASSI { 2869}
   (( segid "    " and resid 45   and name HB1 ))
   (  segid "    " and resid 45   and name HD2%)
      6.000     4.500     0.000 peak  2869 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.610 ppm2      1.055 CV     1
 OR { 2869}
   (( segid "    " and resid 45   and name HB2 ))
   (  segid "    " and resid 45   and name HD2%)
 ASSI { 2870}
   (( segid "    " and resid 45   and name HB2 ))
   (  segid "    " and resid 45   and name HD1%)
      6.000     4.500     0.000 peak  2870 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.611 ppm2      0.845 CV     1
 OR { 2870}
   (( segid "    " and resid 45   and name HB1 ))
   (  segid "    " and resid 45   and name HD1%)
 ASSI { 2872}
   (( segid "    " and resid 106  and name HB  ))
   (( segid "    " and resid 106  and name HA  ))
      6.000     4.500     0.000 peak  2872 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.453 ppm2      4.314 CV     1
 ASSI { 2876}
   (( segid "    " and resid 15   and name HB2 ))
   (( segid "    " and resid 15   and name HB1 ))
      6.000     4.500     0.000 peak  2876 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.275 ppm2      1.723 CV     1
 ASSI { 2877}
   (( segid "    " and resid 15   and name HB2 ))
   (  segid "    " and resid 15   and name HD1%)
      6.000     4.500     0.000 peak  2877 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.276 ppm2      1.004 CV     1
 OR { 2877}
   (( segid "    " and resid 15   and name HB2 ))
   (  segid "    " and resid 15   and name HD2%)
 ASSI { 2878}
   (( segid "    " and resid 15   and name HB2 ))
   (( segid "    " and resid 15   and name HG  ))
      6.000     4.500     0.000 peak  2878 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.268 ppm2      1.504 CV     1
 ASSI { 2879}
   (( segid "    " and resid 15   and name HB2 ))
   (( segid "    " and resid 54   and name HB2 ))
      6.000     4.500     0.000 peak  2879 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.268 ppm2      0.938 CV     1
 ASSI { 2880}
   (( segid "    " and resid 15   and name HB2 ))
   (  segid "    " and resid 54   and name HD2%)
      6.000     4.500     0.000 peak  2880 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.262 ppm2     -0.634 CV     1
 OR { 2880}
   (( segid "    " and resid 15   and name HB2 ))
   (  segid "    " and resid 54   and name HD1%)
 ASSI { 2882}
   (( segid "    " and resid 128  and name HB1 ))
   (  segid "    " and resid 128  and name HD2%)
      6.000     4.500     0.000 peak  2882 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.224 ppm2      0.596 CV     1
 OR { 2882}
   (( segid "    " and resid 128  and name HB1 ))
   (  segid "    " and resid 128  and name HD1%)
 ASSI { 2883}
   (( segid "    " and resid 128  and name HB1 ))
   (( segid "    " and resid 128  and name HG  ))
      6.000     4.500     0.000 peak  2883 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.229 ppm2      0.313 CV     1
 ASSI { 2885}
   (( segid "    " and resid 150  and name HD2 ))
   (( segid "    " and resid 150  and name HB1 ))
      6.000     4.500     0.000 peak  2885 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.001 ppm2      0.970 CV     1
 ASSI { 2887}
   (( segid "    " and resid 154  and name HE1 ))
   (( segid "    " and resid 154  and name HB2 ))
      6.000     4.500     0.000 peak  2887 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.854 ppm2      1.399 CV     1
 OR { 2887}
   (( segid "    " and resid 154  and name HE1 ))
   (( segid "    " and resid 154  and name HB1 ))
 OR { 2887}
   (( segid "    " and resid 154  and name HE2 ))
   (( segid "    " and resid 154  and name HB2 ))
 OR { 2887}
   (( segid "    " and resid 154  and name HE2 ))
   (( segid "    " and resid 154  and name HB1 ))
 ASSI { 2888}
   (( segid "    " and resid 154  and name HE1 ))
   (( segid "    " and resid 154  and name HG2 ))
      6.000     4.500     0.000 peak  2888 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.855 ppm2      1.197 CV     1
 OR { 2888}
   (( segid "    " and resid 154  and name HE2 ))
   (( segid "    " and resid 154  and name HG2 ))
 ASSI { 2889}
   (( segid "    " and resid 154  and name HE1 ))
   (( segid "    " and resid 154  and name HG1 ))
      6.000     4.500     0.000 peak  2889 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.856 ppm2      0.738 CV     1
 OR { 2889}
   (( segid "    " and resid 154  and name HE2 ))
   (( segid "    " and resid 154  and name HG1 ))
 ASSI { 2891}
   (( segid "    " and resid 27   and name HB1 ))
   (( segid "    " and resid 27   and name HB2 ))
      6.000     4.500     0.000 peak  2891 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.591 ppm2      2.932 CV     1
 ASSI { 2894}
   (( segid "    " and resid 143  and name HB2 ))
   (( segid "    " and resid 143  and name HG  ))
      6.000     4.500     0.000 peak  2894 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.212 ppm2      0.965 CV     1
 ASSI { 2895}
   (( segid "    " and resid 143  and name HB2 ))
   (( segid "    " and resid 143  and name HB1 ))
      6.000     4.500     0.000 peak  2895 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.206 ppm2      1.358 CV     1
 ASSI { 2898}
   (( segid "    " and resid 128  and name HB2 ))
   (( segid "    " and resid 143  and name HG  ))
      6.000     4.500     0.000 peak  2898 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.038 ppm2      0.974 CV     1
 ASSI { 2900}
   (( segid "    " and resid 78   and name HB2 ))
   (( segid "    " and resid 78   and name HB1 ))
      6.000     4.500     0.000 peak  2900 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.957 ppm2      1.795 CV     1
 ASSI { 2901}
   (( segid "    " and resid 78   and name HB2 ))
   (( segid "    " and resid 78   and name HG  ))
      6.000     4.500     0.000 peak  2901 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.959 ppm2      0.985 CV     1
 ASSI { 2909}
   (( segid "    " and resid 106  and name HB  ))
   (  segid "    " and resid 106  and name HG2%)
      6.000     4.500     0.000 peak  2909 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.451 ppm2      0.921 CV     1
 ASSI { 2910}
   (( segid "    " and resid 106  and name HB  ))
   (  segid "    " and resid 106  and name HD1%)
      6.000     4.500     0.000 peak  2910 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.453 ppm2      0.643 CV     1
 ASSI { 2918}
   (( segid "    " and resid 22   and name HB1 ))
   (( segid "    " and resid 22   and name HA  ))
      6.000     4.500     0.000 peak  2918 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.063 ppm2      3.977 CV     1
 ASSI { 2919}
   (( segid "    " and resid 22   and name HB1 ))
   (( segid "    " and resid 22   and name HB2 ))
      6.000     4.500     0.000 peak  2919 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.068 ppm2      1.476 CV     1
 ASSI { 2920}
   (( segid "    " and resid 22   and name HB1 ))
   (  segid "    " and resid 22   and name HD1%)
      6.000     4.500     0.000 peak  2920 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.061 ppm2      1.134 CV     1
 ASSI { 2926}
   (( segid "    " and resid 5    and name HB  ))
   (  segid "    " and resid 5    and name HG2%)
      6.000     4.500     0.000 peak  2926 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.785 ppm2      0.853 CV     1
 ASSI { 2927}
   (( segid "    " and resid 5    and name HB  ))
   (( segid "    " and resid 5    and name HG11))
      6.000     4.500     0.000 peak  2927 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.779 ppm2      1.603 CV     1
 OR { 2927}
   (( segid "    " and resid 5    and name HB  ))
   (( segid "    " and resid 5    and name HG12))
 ASSI { 2928}
   (( segid "    " and resid 22   and name HB2 ))
   (( segid "    " and resid 22   and name HA  ))
      6.000     4.500     0.000 peak  2928 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.468 ppm2      3.974 CV     1
 ASSI { 2930}
   (( segid "    " and resid 22   and name HB2 ))
   (  segid "    " and resid 22   and name HD1%)
      6.000     4.500     0.000 peak  2930 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.467 ppm2      1.132 CV     1
 ASSI { 2932}
   (( segid "    " and resid 147  and name HB2 ))
   (( segid "    " and resid 147  and name HB1 ))
      6.000     4.500     0.000 peak  2932 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.092 ppm2      0.647 CV     1
 ASSI { 2933}
   (( segid "    " and resid 147  and name HB2 ))
   (  segid "    " and resid 147  and name HD1%)
      6.000     4.500     0.000 peak  2933 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.093 ppm2     -0.460 CV     1
 ASSI { 2934}
   (( segid "    " and resid 147  and name HB2 ))
   (  segid "    " and resid 147  and name HD2%)
      6.000     4.500     0.000 peak  2934 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.095 ppm2     -0.570 CV     1
 ASSI { 2936}
   (( segid "    " and resid 147  and name HB2 ))
   (( segid "    " and resid 147  and name HG  ))
      6.000     4.500     0.000 peak  2936 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.091 ppm2      0.875 CV     1
 ASSI { 2939}
   (( segid "    " and resid 70   and name HB1 ))
   (  segid "    " and resid 98   and name HG2%)
      6.000     4.500     0.000 peak  2939 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.022 ppm2      0.807 CV     1
 ASSI { 2940}
   (( segid "    " and resid 70   and name HB1 ))
   (  segid "    " and resid 70   and name HD1%)
      6.000     4.500     0.000 peak  2940 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.019 ppm2      0.491 CV     1
 ASSI { 2941}
   (( segid "    " and resid 70   and name HB1 ))
   (  segid "    " and resid 111  and name HD1%)
      6.000     4.500     0.000 peak  2941 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.017 ppm2      0.349 CV     1
 ASSI { 2944}
   (( segid "    " and resid 147  and name HB1 ))
   (( segid "    " and resid 147  and name HG  ))
      6.000     4.500     0.000 peak  2944 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.655 ppm2      0.868 CV     1
 ASSI { 2945}
   (( segid "    " and resid 147  and name HB1 ))
   (  segid "    " and resid 147  and name HD2%)
      6.000     4.500     0.000 peak  2945 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.656 ppm2     -0.570 CV     1
 ASSI { 2947}
   (( segid "    " and resid 101  and name HB2 ))
   (( segid "    " and resid 101  and name HB1 ))
      6.000     4.500     0.000 peak  2947 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.335 ppm2      2.329 CV     1
 ASSI { 2949}
   (( segid "    " and resid 101  and name HB2 ))
   (  segid "    " and resid 113  and name HG2%)
      6.000     4.500     0.000 peak  2949 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.333 ppm2      1.175 CV     1
 ASSI { 2952}
   (( segid "    " and resid 40   and name HB2 ))
   (  segid "    " and resid 155  and name HD1%)
      6.000     4.500     0.000 peak  2952 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.062 ppm2      0.498 CV     1
 OR { 2952}
   (( segid "    " and resid 40   and name HB2 ))
   (  segid "    " and resid 155  and name HD2%)
 ASSI { 2953}
   (( segid "    " and resid 40   and name HB2 ))
   (( segid "    " and resid 155  and name HB1 ))
      6.000     4.500     0.000 peak  2953 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.054 ppm2      1.430 CV     1
 OR { 2953}
   (( segid "    " and resid 40   and name HB2 ))
   (( segid "    " and resid 155  and name HB2 ))
 ASSI { 2954}
   (( segid "    " and resid 40   and name HB1 ))
   (  segid "    " and resid 155  and name HD2%)
      6.000     4.500     0.000 peak  2954 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.694 ppm2      0.500 CV     1
 OR { 2954}
   (( segid "    " and resid 40   and name HB1 ))
   (  segid "    " and resid 155  and name HD1%)
 ASSI { 2956}
   (( segid "    " and resid 153  and name HB2 ))
   (( segid "    " and resid 154  and name HG1 ))
      6.000     4.500     0.000 peak  2956 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.594 ppm2      0.781 CV     1
 ASSI { 2959}
   (( segid "    " and resid 101  and name HB1 ))
   (( segid "    " and resid 98   and name HG12))
      6.000     4.500     0.000 peak  2959 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.325 ppm2      0.981 CV     1
 ASSI { 2964}
   (( segid "    " and resid 70   and name HB1 ))
   (( segid "    " and resid 98   and name HG11))
      6.000     4.500     0.000 peak  2964 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.023 ppm2      1.862 CV     1
 ASSI { 2968}
   (( segid "    " and resid 53   and name HB1 ))
   (( segid "    " and resid 53   and name HB2 ))
      6.000     4.500     0.000 peak  2968 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.911 ppm2      2.247 CV     1
 ASSI { 2973}
   (( segid "    " and resid 52   and name HB2 ))
   (( segid "    " and resid 52   and name HB1 ))
      6.000     4.500     0.000 peak  2973 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.646 ppm2      2.433 CV     1
 ASSI { 2975}
   (( segid "    " and resid 52   and name HB2 ))
   (( segid "    " and resid 41   and name HB2 ))
      6.000     4.500     0.000 peak  2975 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.649 ppm2      1.751 CV     1
 OR { 2975}
   (( segid "    " and resid 52   and name HB2 ))
   (( segid "    " and resid 41   and name HB1 ))
 ASSI { 2976}
   (( segid "    " and resid 52   and name HB2 ))
   (( segid "    " and resid 41   and name HG1 ))
      6.000     4.500     0.000 peak  2976 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.642 ppm2      1.326 CV     1
 ASSI { 2978}
   (( segid "    " and resid 97   and name HB2 ))
   (( segid "    " and resid 97   and name HB1 ))
      6.000     4.500     0.000 peak  2978 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.530 ppm2      2.363 CV     1
 ASSI { 2980}
   (( segid "    " and resid 97   and name HB2 ))
   (( segid "    " and resid 70   and name HG  ))
      6.000     4.500     0.000 peak  2980 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.523 ppm2      1.347 CV     1
 ASSI { 2982}
   (( segid "    " and resid 52   and name HB1 ))
   (( segid "    " and resid 41   and name HG2 ))
      6.000     4.500     0.000 peak  2982 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.428 ppm2      1.593 CV     1
 ASSI { 2984}
   (( segid "    " and resid 97   and name HB1 ))
   (  segid "    " and resid 6    and name HB% )
      6.000     4.500     0.000 peak  2984 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.369 ppm2      1.771 CV     1
 ASSI { 2987}
   (( segid "    " and resid 119  and name HE2 ))
   (( segid "    " and resid 119  and name HB2 ))
      6.000     4.500     0.000 peak  2987 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.303 ppm2      1.659 CV     1
 ASSI { 2988}
   (( segid "    " and resid 119  and name HE2 ))
   (( segid "    " and resid 119  and name HE1 ))
      6.000     4.500     0.000 peak  2988 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.305 ppm2      1.502 CV     1
 ASSI { 2990}
   (( segid "    " and resid 119  and name HE2 ))
   (( segid "    " and resid 119  and name HG1 ))
      6.000     4.500     0.000 peak  2990 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.301 ppm2      1.308 CV     1
 ASSI { 2992}
   (( segid "    " and resid 69   and name HB2 ))
   (( segid "    " and resid 66   and name HA  ))
      6.000     4.500     0.000 peak  2992 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.203 ppm2      3.370 CV     1
 ASSI { 2993}
   (( segid "    " and resid 69   and name HB2 ))
   (( segid "    " and resid 69   and name HB1 ))
      6.000     4.500     0.000 peak  2993 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.208 ppm2      1.326 CV     1
 ASSI { 2997}
   (( segid "    " and resid 7    and name HB  ))
   (( segid "    " and resid 96   and name HB1 ))
      6.000     4.500     0.000 peak  2997 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.486 ppm2      0.974 CV     1
 ASSI { 2999}
   (( segid "    " and resid 69   and name HB1 ))
   (( segid "    " and resid 64   and name HB1 ))
      6.000     4.500     0.000 peak  2999 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.330 ppm2      1.489 CV     1
 ASSI { 3001}
   (( segid "    " and resid 139  and name HB1 ))
   (( segid "    " and resid 139  and name HB2 ))
      6.000     4.500     0.000 peak  3001 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.045 ppm2      2.594 CV     1
 ASSI { 3003}
   (( segid "    " and resid 156  and name HB1 ))
   (( segid "    " and resid 154  and name HB1 ))
      6.000     4.500     0.000 peak  3003 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.866 ppm2      1.403 CV     1
 OR { 3003}
   (( segid "    " and resid 156  and name HB1 ))
   (( segid "    " and resid 154  and name HB2 ))
 OR { 3003}
   (( segid "    " and resid 156  and name HB2 ))
   (( segid "    " and resid 154  and name HB1 ))
 ASSI { 3007}
   (( segid "    " and resid 4    and name HB2 ))
   (  segid "    " and resid 100  and name HD1%)
      6.000     4.500     0.000 peak  3007 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.760 ppm2      0.661 CV     1
 ASSI { 3009}
   (( segid "    " and resid 4    and name HB2 ))
   (( segid "    " and resid 128  and name HB2 ))
      6.000     4.500     0.000 peak  3009 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.752 ppm2      2.066 CV     1
 ASSI { 3015}
   (( segid "    " and resid 4    and name HB2 ))
   (( segid "    " and resid 128  and name HG  ))
      6.000     4.500     0.000 peak  3015 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.745 ppm2      0.306 CV     1
 ASSI { 3022}
   (( segid "    " and resid 120  and name HB2 ))
   (( segid "    " and resid 120  and name HB1 ))
      6.000     4.500     0.000 peak  3022 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.524 ppm2      3.006 CV     1
 ASSI { 3023}
   (( segid "    " and resid 69   and name HB2 ))
   (( segid "    " and resid 69   and name HA  ))
      6.000     4.500     0.000 peak  3023 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.214 ppm2      4.206 CV     1
 ASSI { 3024}
   (( segid "    " and resid 69   and name HB2 ))
   (( segid "    " and resid 69   and name HG  ))
      6.000     4.500     0.000 peak  3024 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.221 ppm2      1.627 CV     1
 ASSI { 3025}
   (( segid "    " and resid 69   and name HB2 ))
   (  segid "    " and resid 69   and name HD1%)
      6.000     4.500     0.000 peak  3025 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.216 ppm2      1.026 CV     1
 ASSI { 3026}
   (( segid "    " and resid 69   and name HB2 ))
   (( segid "    " and resid 64   and name HG  ))
      6.000     4.500     0.000 peak  3026 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.218 ppm2      0.756 CV     1
 ASSI { 3028}
   (( segid "    " and resid 7    and name HB  ))
   (  segid "    " and resid 7    and name HG2%)
      6.000     4.500     0.000 peak  3028 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.474 ppm2      0.780 CV     1
 ASSI { 3029}
   (( segid "    " and resid 7    and name HB  ))
   (  segid "    " and resid 18   and name HG2%)
      6.000     4.500     0.000 peak  3029 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.471 ppm2      0.247 CV     1
 ASSI { 3030}
   (( segid "    " and resid 69   and name HB1 ))
   (( segid "    " and resid 64   and name HG  ))
      6.000     4.500     0.000 peak  3030 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.340 ppm2      0.773 CV     1
 ASSI { 3032}
   (( segid "    " and resid 69   and name HB1 ))
   (( segid "    " and resid 69   and name HG  ))
      6.000     4.500     0.000 peak  3032 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.328 ppm2      1.622 CV     1
 ASSI { 3033}
   (( segid "    " and resid 69   and name HB1 ))
   (( segid "    " and resid 98   and name HG12))
      6.000     4.500     0.000 peak  3033 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.327 ppm2      0.993 CV     1
 ASSI { 3036}
   (( segid "    " and resid 129  and name HB1 ))
   (( segid "    " and resid 133  and name HB1 ))
      6.000     4.500     0.000 peak  3036 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.883 ppm2      1.495 CV     1
 ASSI { 3037}
   (( segid "    " and resid 156  and name HB2 ))
   (( segid "    " and resid 41   and name HB1 ))
      6.000     4.500     0.000 peak  3037 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.873 ppm2      1.743 CV     1
 OR { 3037}
   (( segid "    " and resid 156  and name HB1 ))
   (( segid "    " and resid 41   and name HB1 ))
 OR { 3037}
   (( segid "    " and resid 156  and name HB2 ))
   (( segid "    " and resid 41   and name HB2 ))
 OR { 3037}
   (( segid "    " and resid 156  and name HB1 ))
   (( segid "    " and resid 41   and name HB2 ))
 ASSI { 3040}
   (( segid "    " and resid 152  and name HB2 ))
   (  segid "    " and resid 147  and name HD2%)
      6.000     4.500     0.000 peak  3040 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.387 ppm2     -0.569 CV     1
 ASSI { 3041}
   (( segid "    " and resid 152  and name HB2 ))
   (( segid "    " and resid 152  and name HB1 ))
      6.000     4.500     0.000 peak  3041 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.382 ppm2      2.679 CV     1
 ASSI { 3042}
   (( segid "    " and resid 129  and name HB2 ))
   (  segid "    " and resid 147  and name HD1%)
      6.000     4.500     0.000 peak  3042 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.191 ppm2     -0.461 CV     1
 ASSI { 3044}
   (( segid "    " and resid 129  and name HB2 ))
   (( segid "    " and resid 129  and name HB1 ))
      6.000     4.500     0.000 peak  3044 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.179 ppm2      2.900 CV     1
 ASSI { 3045}
   (( segid "    " and resid 129  and name HB2 ))
   (( segid "    " and resid 143  and name HG  ))
      6.000     4.500     0.000 peak  3045 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.180 ppm2      0.973 CV     1
 ASSI { 3048}
   (( segid "    " and resid 129  and name HB1 ))
   (( segid "    " and resid 143  and name HG  ))
      6.000     4.500     0.000 peak  3048 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.893 ppm2      0.971 CV     1
 ASSI { 3049}
   (( segid "    " and resid 129  and name HB1 ))
   (  segid "    " and resid 147  and name HD1%)
      6.000     4.500     0.000 peak  3049 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.901 ppm2     -0.462 CV     1
 ASSI { 3051}
   (( segid "    " and resid 152  and name HB1 ))
   (  segid "    " and resid 147  and name HD2%)
      6.000     4.500     0.000 peak  3051 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.679 ppm2     -0.571 CV     1
 ASSI { 3059}
   (( segid "    " and resid 10   and name HB1 ))
   (( segid "    " and resid 51   and name HG2 ))
      6.000     4.500     0.000 peak  3059 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.408 ppm2      2.155 CV     1
 OR { 3059}
   (( segid "    " and resid 10   and name HB1 ))
   (( segid "    " and resid 51   and name HB2 ))
 ASSI { 3061}
   (( segid "    " and resid 10   and name HB1 ))
   (( segid "    " and resid 10   and name HB2 ))
      6.000     4.500     0.000 peak  3061 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.384 ppm2      0.643 CV     1
 ASSI { 3062}
   (( segid "    " and resid 10   and name HB2 ))
   (( segid "    " and resid 51   and name HG2 ))
      6.000     4.500     0.000 peak  3062 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.633 ppm2      2.151 CV     1
 OR { 3062}
   (( segid "    " and resid 10   and name HB2 ))
   (( segid "    " and resid 51   and name HB2 ))
 ASSI { 3066}
   (( segid "    " and resid 103  and name HB2 ))
   (( segid "    " and resid 103  and name HB1 ))
      6.000     4.500     0.000 peak  3066 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.009 ppm2      2.681 CV     1
 ASSI { 3067}
   (( segid "    " and resid 103  and name HB2 ))
   (( segid "    " and resid 138  and name HB1 ))
      6.000     4.500     0.000 peak  3067 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.009 ppm2      2.422 CV     1
 ASSI { 3068}
   (( segid "    " and resid 103  and name HB2 ))
   (( segid "    " and resid 138  and name HG1 ))
      6.000     4.500     0.000 peak  3068 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.011 ppm2      2.002 CV     1
 OR { 3068}
   (( segid "    " and resid 103  and name HB2 ))
   (( segid "    " and resid 138  and name HG2 ))
 ASSI { 3078}
   (( segid "    " and resid 49   and name HB2 ))
   (( segid "    " and resid 48   and name HB2 ))
      6.000     4.500     0.000 peak  3078 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.677 ppm2      2.324 CV     1
 ASSI { 3080}
   (( segid "    " and resid 131  and name HB  ))
   (( segid "    " and resid 131  and name HG11))
      6.000     4.500     0.000 peak  3080 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.155 ppm2      1.657 CV     1
 OR { 3080}
   (( segid "    " and resid 131  and name HB  ))
   (( segid "    " and resid 131  and name HG12))
 ASSI { 3082}
   (( segid "    " and resid 131  and name HB  ))
   (  segid "    " and resid 59   and name HB% )
      6.000     4.500     0.000 peak  3082 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.152 ppm2      1.271 CV     1
 ASSI { 3084}
   (( segid "    " and resid 131  and name HB  ))
   (  segid "    " and resid 131  and name HG2%)
      6.000     4.500     0.000 peak  3084 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.152 ppm2      0.854 CV     1
 ASSI { 3087}
   (( segid "    " and resid 137  and name HB2 ))
   (( segid "    " and resid 137  and name HB1 ))
      6.000     4.500     0.000 peak  3087 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.384 ppm2      3.248 CV     1
 ASSI { 3093}
   (( segid "    " and resid 33   and name HB  ))
   (  segid "    " and resid 33   and name HD1%)
      6.000     4.500     0.000 peak  3093 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.787 ppm2      0.918 CV     1
 ASSI { 3098}
   (( segid "    " and resid 116  and name HB1 ))
   (( segid "    " and resid 116  and name HB2 ))
      6.000     4.500     0.000 peak  3098 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.078 ppm2      2.971 CV     1
 ASSI { 3101}
   (( segid "    " and resid 116  and name HB2 ))
   (( segid "    " and resid 116  and name HA  ))
      6.000     4.500     0.000 peak  3101 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.976 ppm2      4.188 CV     1
 ASSI { 3103}
   (( segid "    " and resid 67   and name HG2 ))
   (( segid "    " and resid 67   and name HG1 ))
      6.000     4.500     0.000 peak  3103 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.154 ppm2      1.982 CV     1
 ASSI { 3104}
   (( segid "    " and resid 67   and name HG2 ))
   (( segid "    " and resid 67   and name HB1 ))
      6.000     4.500     0.000 peak  3104 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.155 ppm2      1.863 CV     1
 OR { 3104}
   (( segid "    " and resid 67   and name HG2 ))
   (( segid "    " and resid 67   and name HB2 ))
 ASSI { 3108}
   (( segid "    " and resid 67   and name HG1 ))
   (( segid "    " and resid 66   and name HG2 ))
      6.000     4.500     0.000 peak  3108 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.981 ppm2      1.723 CV     1
 ASSI { 3110}
   (( segid "    " and resid 67   and name HG1 ))
   (( segid "    " and resid 111  and name HG  ))
      6.000     4.500     0.000 peak  3110 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.971 ppm2      1.052 CV     1
 ASSI { 3111}
   (( segid "    " and resid 146  and name HB  ))
   (( segid "    " and resid 143  and name HA  ))
      6.000     4.500     0.000 peak  3111 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.798 ppm2      4.091 CV     1
 ASSI { 3114}
   (( segid "    " and resid 146  and name HB  ))
   (( segid "    " and resid 150  and name HG2 ))
      6.000     4.500     0.000 peak  3114 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.789 ppm2      1.426 CV     1
 ASSI { 3115}
   (( segid "    " and resid 146  and name HB  ))
   (( segid "    " and resid 125  and name HG  ))
      6.000     4.500     0.000 peak  3115 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.793 ppm2      0.331 CV     1
 ASSI { 3116}
   (( segid "    " and resid 28   and name HB  ))
   (( segid "    " and resid 28   and name HA  ))
      6.000     4.500     0.000 peak  3116 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.578 ppm2      3.778 CV     1
 ASSI { 3117}
   (( segid "    " and resid 28   and name HB  ))
   (( segid "    " and resid 31   and name HB2 ))
      6.000     4.500     0.000 peak  3117 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.581 ppm2      3.615 CV     1
 OR { 3117}
   (( segid "    " and resid 28   and name HB  ))
   (( segid "    " and resid 31   and name HB1 ))
 ASSI { 3118}
   (( segid "    " and resid 28   and name HB  ))
   (( segid "    " and resid 28   and name HG11))
      6.000     4.500     0.000 peak  3118 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.583 ppm2      2.087 CV     1
 OR { 3118}
   (( segid "    " and resid 28   and name HB  ))
   (( segid "    " and resid 28   and name HG12))
 ASSI { 3119}
   (( segid "    " and resid 28   and name HB  ))
   (  segid "    " and resid 28   and name HD1%)
      6.000     4.500     0.000 peak  3119 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.582 ppm2      0.795 CV     1
 ASSI { 3121}
   (( segid "    " and resid 39   and name HB1 ))
   (  segid "    " and resid 54   and name HD1%)
      6.000     4.500     0.000 peak  3121 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.364 ppm2     -0.634 CV     1
 OR { 3121}
   (( segid "    " and resid 39   and name HB1 ))
   (  segid "    " and resid 54   and name HD2%)
 ASSI { 3126}
   (( segid "    " and resid 19   and name HB2 ))
   (( segid "    " and resid 19   and name HB1 ))
      6.000     4.500     0.000 peak  3126 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.859 ppm2      2.695 CV     1
 ASSI { 3129}
   (( segid "    " and resid 39   and name HB2 ))
   (( segid "    " and resid 54   and name HB2 ))
      6.000     4.500     0.000 peak  3129 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.767 ppm2      0.948 CV     1
 ASSI { 3133}
   (( segid "    " and resid 67   and name HG2 ))
   (( segid "    " and resid 68   and name HB2 ))
      6.000     4.500     0.000 peak  3133 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.143 ppm2      2.313 CV     1
 OR { 3133}
   (( segid "    " and resid 67   and name HG2 ))
   (( segid "    " and resid 68   and name HB1 ))
 ASSI { 3136}
   (( segid "    " and resid 67   and name HG1 ))
   (( segid "    " and resid 111  and name HB2 ))
      6.000     4.500     0.000 peak  3136 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.986 ppm2      1.371 CV     1
 ASSI { 3137}
   (( segid "    " and resid 67   and name HG1 ))
   (( segid "    " and resid 111  and name HB1 ))
      6.000     4.500     0.000 peak  3137 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.984 ppm2      0.903 CV     1
 ASSI { 3142}
   (( segid "    " and resid 28   and name HB  ))
   (  segid "    " and resid 28   and name HG2%)
      6.000     4.500     0.000 peak  3142 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.580 ppm2      0.612 CV     1
 ASSI { 3144}
   (( segid "    " and resid 123  and name HB2 ))
   (( segid "    " and resid 123  and name HB1 ))
      6.000     4.500     0.000 peak  3144 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.354 ppm2      2.792 CV     1
 ASSI { 3155}
   (( segid "    " and resid 39   and name HB2 ))
   (  segid "    " and resid 54   and name HD1%)
      6.000     4.500     0.000 peak  3155 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.770 ppm2     -0.630 CV     1
 OR { 3155}
   (( segid "    " and resid 39   and name HB2 ))
   (  segid "    " and resid 54   and name HD2%)
 ASSI { 3156}
   (( segid "    " and resid 19   and name HB1 ))
   (  segid "    " and resid 20   and name HB% )
      6.000     4.500     0.000 peak  3156 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.701 ppm2      1.459 CV     1
 ASSI { 3158}
   (( segid "    " and resid 98   and name HB  ))
   (( segid "    " and resid 98   and name HG12))
      6.000     4.500     0.000 peak  3158 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.120 ppm2      0.978 CV     1
 ASSI { 3159}
   (( segid "    " and resid 98   and name HB  ))
   (  segid "    " and resid 98   and name HG2%)
      6.000     4.500     0.000 peak  3159 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.115 ppm2      0.831 CV     1
 ASSI { 3166}
   (( segid "    " and resid 76   and name HB  ))
   (( segid "    " and resid 73   and name HB  ))
      6.000     4.500     0.000 peak  3166 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.853 ppm2      3.958 CV     1
 ASSI { 3168}
   (( segid "    " and resid 141  and name HG1 ))
   (( segid "    " and resid 141  and name HA  ))
      6.000     4.500     0.000 peak  3168 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.290 ppm2      4.292 CV     1
 ASSI { 3169}
   (( segid "    " and resid 141  and name HG1 ))
   (( segid "    " and resid 146  and name HG11))
      6.000     4.500     0.000 peak  3169 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.292 ppm2      1.003 CV     1
 ASSI { 3171}
   (( segid "    " and resid 141  and name HG1 ))
   (( segid "    " and resid 141  and name HG2 ))
      6.000     4.500     0.000 peak  3171 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.289 ppm2      2.047 CV     1
 ASSI { 3172}
   (( segid "    " and resid 141  and name HG1 ))
   (( segid "    " and resid 141  and name HB2 ))
      6.000     4.500     0.000 peak  3172 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.287 ppm2      1.879 CV     1
 ASSI { 3173}
   (( segid "    " and resid 141  and name HG1 ))
   (( segid "    " and resid 146  and name HG12))
      6.000     4.500     0.000 peak  3173 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.287 ppm2      1.605 CV     1
 ASSI { 3177}
   (( segid "    " and resid 141  and name HG2 ))
   (( segid "    " and resid 141  and name HB2 ))
      6.000     4.500     0.000 peak  3177 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.060 ppm2      1.866 CV     1
 ASSI { 3178}
   (( segid "    " and resid 141  and name HG2 ))
   (( segid "    " and resid 146  and name HG12))
      6.000     4.500     0.000 peak  3178 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.063 ppm2      1.596 CV     1
 ASSI { 3184}
   (( segid "    " and resid 71   and name HB2 ))
   (( segid "    " and resid 71   and name HB1 ))
      6.000     4.500     0.000 peak  3184 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.102 ppm2      2.620 CV     1
 ASSI { 3186}
   (( segid "    " and resid 16   and name HG2 ))
   (( segid "    " and resid 16   and name HA  ))
      6.000     4.500     0.000 peak  3186 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.389 ppm2      4.104 CV     1
 ASSI { 3187}
   (( segid "    " and resid 16   and name HG2 ))
   (( segid "    " and resid 16   and name HG1 ))
      6.000     4.500     0.000 peak  3187 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.385 ppm2      2.352 CV     1
 ASSI { 3188}
   (( segid "    " and resid 16   and name HG2 ))
   (( segid "    " and resid 16   and name HB1 ))
      6.000     4.500     0.000 peak  3188 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.387 ppm2      2.172 CV     1
 ASSI { 3189}
   (( segid "    " and resid 16   and name HG1 ))
   (( segid "    " and resid 13   and name HB1 ))
      6.000     4.500     0.000 peak  3189 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.344 ppm2      4.414 CV     1
 ASSI { 3192}
   (( segid "    " and resid 16   and name HG1 ))
   (( segid "    " and resid 16   and name HB1 ))
      6.000     4.500     0.000 peak  3192 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.341 ppm2      2.156 CV     1
 ASSI { 3193}
   (( segid "    " and resid 104  and name HG1 ))
   (( segid "    " and resid 104  and name HA  ))
      6.000     4.500     0.000 peak  3193 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.606 ppm2      4.288 CV     1
 ASSI { 3194}
   (( segid "    " and resid 104  and name HG1 ))
   (( segid "    " and resid 104  and name HB2 ))
      6.000     4.500     0.000 peak  3194 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.605 ppm2      2.387 CV     1
 ASSI { 3196}
   (( segid "    " and resid 104  and name HG1 ))
   (( segid "    " and resid 113  and name HB  ))
      6.000     4.500     0.000 peak  3196 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.607 ppm2      1.928 CV     1
 ASSI { 3197}
   (( segid "    " and resid 104  and name HG1 ))
   (( segid "    " and resid 104  and name HB1 ))
      6.000     4.500     0.000 peak  3197 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.602 ppm2      2.181 CV     1
 ASSI { 3198}
   (( segid "    " and resid 104  and name HG1 ))
   (( segid "    " and resid 66   and name HG2 ))
      6.000     4.500     0.000 peak  3198 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.593 ppm2      1.756 CV     1
 ASSI { 3201}
   (( segid "    " and resid 104  and name HG1 ))
   (  segid "    " and resid 106  and name HD1%)
      6.000     4.500     0.000 peak  3201 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.601 ppm2      0.626 CV     1
 ASSI { 3206}
   (( segid "    " and resid 104  and name HG2 ))
   (  segid "    " and resid 106  and name HD1%)
      6.000     4.500     0.000 peak  3206 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.528 ppm2      0.625 CV     1
 ASSI { 3207}
   (( segid "    " and resid 30   and name HG2 ))
   (( segid "    " and resid 30   and name HA  ))
      6.000     4.500     0.000 peak  3207 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.184 ppm2      3.924 CV     1
 ASSI { 3209}
   (( segid "    " and resid 58   and name HB  ))
   (  segid "    " and resid 58   and name HG2%)
      6.000     4.500     0.000 peak  3209 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.985 ppm2      1.003 CV     1
 OR { 3209}
   (( segid "    " and resid 58   and name HB  ))
   (  segid "    " and resid 58   and name HG1%)
 ASSI { 3212}
   (( segid "    " and resid 77   and name HG2 ))
   (( segid "    " and resid 77   and name HA  ))
      6.000     4.500     0.000 peak  3212 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.864 ppm2      3.754 CV     1
 ASSI { 3213}
   (( segid "    " and resid 77   and name HG2 ))
   (( segid "    " and resid 77   and name HB1 ))
      6.000     4.500     0.000 peak  3213 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.871 ppm2      2.586 CV     1
 ASSI { 3214}
   (( segid "    " and resid 77   and name HG2 ))
   (( segid "    " and resid 77   and name HG1 ))
      6.000     4.500     0.000 peak  3214 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.866 ppm2      1.957 CV     1
 ASSI { 3215}
   (( segid "    " and resid 77   and name HG2 ))
   (( segid "    " and resid 77   and name HB2 ))
      6.000     4.500     0.000 peak  3215 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.873 ppm2      1.817 CV     1
 ASSI { 3218}
   (( segid "    " and resid 77   and name HG2 ))
   (  segid "    " and resid 96   and name HD2%)
      6.000     4.500     0.000 peak  3218 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.858 ppm2      1.146 CV     1
 OR { 3218}
   (( segid "    " and resid 77   and name HG2 ))
   (  segid "    " and resid 96   and name HD1%)
 ASSI { 3220}
   (( segid "    " and resid 80   and name HG1 ))
   (  segid "    " and resid 21   and name HB% )
      6.000     4.500     0.000 peak  3220 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.516 ppm2      1.579 CV     1
 ASSI { 3221}
   (( segid "    " and resid 80   and name HG1 ))
   (( segid "    " and resid 80   and name HB2 ))
      6.000     4.500     0.000 peak  3221 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.502 ppm2      2.865 CV     1
 ASSI { 3222}
   (( segid "    " and resid 80   and name HG1 ))
   (( segid "    " and resid 80   and name HG2 ))
      6.000     4.500     0.000 peak  3222 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.507 ppm2      2.242 CV     1
 ASSI { 3223}
   (( segid "    " and resid 80   and name HG1 ))
   (( segid "    " and resid 80   and name HB1 ))
      6.000     4.500     0.000 peak  3223 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.508 ppm2      1.793 CV     1
 ASSI { 3227}
   (( segid "    " and resid 68   and name HG2 ))
   (( segid "    " and resid 69   and name HB2 ))
      6.000     4.500     0.000 peak  3227 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.415 ppm2      2.248 CV     1
 OR { 3227}
   (( segid "    " and resid 68   and name HG1 ))
   (( segid "    " and resid 69   and name HB2 ))
 ASSI { 3230}
   (( segid "    " and resid 68   and name HG2 ))
   (( segid "    " and resid 64   and name HG  ))
      6.000     4.500     0.000 peak  3230 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.416 ppm2      0.746 CV     1
 OR { 3230}
   (( segid "    " and resid 68   and name HG1 ))
   (( segid "    " and resid 64   and name HG  ))
 ASSI { 3231}
   (( segid "    " and resid 87   and name HG1 ))
   (( segid "    " and resid 87   and name HB2 ))
      6.000     4.500     0.000 peak  3231 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.339 ppm2      2.037 CV     1
 OR { 3231}
   (( segid "    " and resid 87   and name HG1 ))
   (( segid "    " and resid 87   and name HB1 ))
 OR { 3231}
   (( segid "    " and resid 87   and name HG2 ))
   (( segid "    " and resid 87   and name HB2 ))
 OR { 3231}
   (( segid "    " and resid 87   and name HG2 ))
   (( segid "    " and resid 87   and name HB1 ))
 ASSI { 3232}
   (( segid "    " and resid 109  and name HG2 ))
   (( segid "    " and resid 109  and name HB1 ))
      6.000     4.500     0.000 peak  3232 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.281 ppm2      2.042 CV     1
 OR { 3232}
   (( segid "    " and resid 109  and name HG2 ))
   (( segid "    " and resid 109  and name HB2 ))
 ASSI { 3235}
   (( segid "    " and resid 80   and name HG2 ))
   (( segid "    " and resid 80   and name HB2 ))
      6.000     4.500     0.000 peak  3235 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.256 ppm2      2.878 CV     1
 ASSI { 3237}
   (( segid "    " and resid 30   and name HG2 ))
   (( segid "    " and resid 30   and name HB1 ))
      6.000     4.500     0.000 peak  3237 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.186 ppm2      2.414 CV     1
 ASSI { 3238}
   (( segid "    " and resid 30   and name HG2 ))
   (( segid "    " and resid 64   and name HB1 ))
      6.000     4.500     0.000 peak  3238 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.188 ppm2      1.496 CV     1
 ASSI { 3239}
   (( segid "    " and resid 30   and name HG2 ))
   (( segid "    " and resid 63   and name HB2 ))
      6.000     4.500     0.000 peak  3239 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.177 ppm2      4.071 CV     1
 OR { 3239}
   (( segid "    " and resid 30   and name HG2 ))
   (( segid "    " and resid 63   and name HB1 ))
 ASSI { 3240}
   (( segid "    " and resid 30   and name HG2 ))
   (( segid "    " and resid 64   and name HG  ))
      6.000     4.500     0.000 peak  3240 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.182 ppm2      0.755 CV     1
 ASSI { 3241}
   (( segid "    " and resid 30   and name HG1 ))
   (( segid "    " and resid 63   and name HB2 ))
      6.000     4.500     0.000 peak  3241 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.110 ppm2      4.066 CV     1
 OR { 3241}
   (( segid "    " and resid 30   and name HG1 ))
   (( segid "    " and resid 63   and name HB1 ))
 ASSI { 3243}
   (( segid "    " and resid 30   and name HG1 ))
   (( segid "    " and resid 30   and name HB1 ))
      6.000     4.500     0.000 peak  3243 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.112 ppm2      2.415 CV     1
 ASSI { 3245}
   (( segid "    " and resid 30   and name HG1 ))
   (( segid "    " and resid 64   and name HG  ))
      6.000     4.500     0.000 peak  3245 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.114 ppm2      0.761 CV     1
 ASSI { 3252}
   (( segid "    " and resid 68   and name HG1 ))
   (( segid "    " and resid 68   and name HA  ))
      6.000     4.500     0.000 peak  3252 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.415 ppm2      4.338 CV     1
 OR { 3252}
   (( segid "    " and resid 68   and name HG2 ))
   (( segid "    " and resid 68   and name HA  ))
 ASSI { 3254}
   (( segid "    " and resid 68   and name HG1 ))
   (( segid "    " and resid 67   and name HB2 ))
      6.000     4.500     0.000 peak  3254 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.415 ppm2      1.841 CV     1
 OR { 3254}
   (( segid "    " and resid 68   and name HG2 ))
   (( segid "    " and resid 67   and name HB2 ))
 OR { 3254}
   (( segid "    " and resid 68   and name HG1 ))
   (( segid "    " and resid 67   and name HB1 ))
 OR { 3254}
   (( segid "    " and resid 68   and name HG2 ))
   (( segid "    " and resid 67   and name HB1 ))
 ASSI { 3255}
   (( segid "    " and resid 68   and name HG2 ))
   (( segid "    " and resid 64   and name HB2 ))
      6.000     4.500     0.000 peak  3255 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.415 ppm2      1.746 CV     1
 OR { 3255}
   (( segid "    " and resid 68   and name HG1 ))
   (( segid "    " and resid 64   and name HB2 ))
 ASSI { 3256}
   (( segid "    " and resid 68   and name HG2 ))
   (( segid "    " and resid 69   and name HB1 ))
      6.000     4.500     0.000 peak  3256 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.413 ppm2      1.323 CV     1
 OR { 3256}
   (( segid "    " and resid 68   and name HG1 ))
   (( segid "    " and resid 69   and name HB1 ))
 ASSI { 3260}
   (( segid "    " and resid 87   and name HG1 ))
   (( segid "    " and resid 88   and name HG1 ))
      6.000     4.500     0.000 peak  3260 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.335 ppm2      1.118 CV     1
 OR { 3260}
   (( segid "    " and resid 87   and name HG1 ))
   (( segid "    " and resid 88   and name HG2 ))
 OR { 3260}
   (( segid "    " and resid 87   and name HG2 ))
   (( segid "    " and resid 88   and name HG1 ))
 OR { 3260}
   (( segid "    " and resid 87   and name HG2 ))
   (( segid "    " and resid 88   and name HG2 ))
 ASSI { 3264}
   (( segid "    " and resid 61   and name HG1 ))
   (( segid "    " and resid 61   and name HG2 ))
      6.000     4.500     0.000 peak  3264 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.225 ppm2      1.938 CV     1
 ASSI { 3265}
   (( segid "    " and resid 61   and name HG1 ))
   (( segid "    " and resid 61   and name HB2 ))
      6.000     4.500     0.000 peak  3265 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.225 ppm2      1.771 CV     1
 ASSI { 3266}
   (( segid "    " and resid 61   and name HG1 ))
   (( segid "    " and resid 34   and name HB2 ))
      6.000     4.500     0.000 peak  3266 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.233 ppm2      1.542 CV     1
 ASSI { 3268}
   (( segid "    " and resid 61   and name HG1 ))
   (  segid "    " and resid 34   and name HD2%)
      6.000     4.500     0.000 peak  3268 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.228 ppm2      0.824 CV     1
 OR { 3268}
   (( segid "    " and resid 61   and name HG1 ))
   (  segid "    " and resid 34   and name HD1%)
 ASSI { 3269}
   (( segid "    " and resid 61   and name HG1 ))
   (( segid "    " and resid 61   and name HB1 ))
      6.000     4.500     0.000 peak  3269 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.222 ppm2      1.315 CV     1
 ASSI { 3270}
   (( segid "    " and resid 134  and name HG2 ))
   (( segid "    " and resid 135  and name HB1 ))
      6.000     6.000     0.000 peak  3270 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.147 ppm2      1.328 CV     1
 ASSI { 3271}
   (( segid "    " and resid 134  and name HG2 ))
   (  segid "    " and resid 132  and name HB% )
      6.000     4.500     0.000 peak  3271 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.140 ppm2      1.048 CV     1
 ASSI { 3277}
   (( segid "    " and resid 61   and name HG2 ))
   (( segid "    " and resid 61   and name HB2 ))
      6.000     4.500     0.000 peak  3277 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.937 ppm2      1.768 CV     1
 ASSI { 3283}
   (( segid "    " and resid 74   and name HG2 ))
   (( segid "    " and resid 74   and name HG1 ))
      6.000     4.500     0.000 peak  3283 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.957 ppm2      2.431 CV     1
 ASSI { 3284}
   (( segid "    " and resid 134  and name HG1 ))
   (  segid "    " and resid 132  and name HB% )
      6.000     4.500     0.000 peak  3284 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.324 ppm2      1.021 CV     1
 ASSI { 3285}
   (( segid "    " and resid 134  and name HG1 ))
   (( segid "    " and resid 134  and name HG2 ))
      6.000     4.500     0.000 peak  3285 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.312 ppm2      2.126 CV     1
 ASSI { 3286}
   (( segid "    " and resid 134  and name HG1 ))
   (( segid "    " and resid 134  and name HB2 ))
      6.000     4.500     0.000 peak  3286 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.313 ppm2      1.762 CV     1
 ASSI { 3287}
   (( segid "    " and resid 134  and name HG2 ))
   (( segid "    " and resid 134  and name HG1 ))
      6.000     4.500     0.000 peak  3287 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.122 ppm2      2.311 CV     1
 OR { 3287}
   (( segid "    " and resid 134  and name HG2 ))
   (( segid "    " and resid 134  and name HB1 ))
 ASSI { 3288}
   (( segid "    " and resid 134  and name HG2 ))
   (( segid "    " and resid 134  and name HB2 ))
      6.000     4.500     0.000 peak  3288 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.121 ppm2      1.764 CV     1
 ASSI { 3290}
   (( segid "    " and resid 74   and name HG2 ))
   (( segid "    " and resid 74   and name HA  ))
      6.000     4.500     0.000 peak  3290 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.960 ppm2      4.234 CV     1
 ASSI { 3291}
   (( segid "    " and resid 74   and name HG2 ))
   (( segid "    " and resid 74   and name HB1 ))
      6.000     4.500     0.000 peak  3291 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.961 ppm2      2.256 CV     1
 ASSI { 3292}
   (( segid "    " and resid 74   and name HG2 ))
   (( segid "    " and resid 74   and name HB2 ))
      6.000     4.500     0.000 peak  3292 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.959 ppm2      1.918 CV     1
 ASSI { 3293}
   (( segid "    " and resid 74   and name HG2 ))
   (  segid "    " and resid 70   and name HD2%)
      6.000     4.500     0.000 peak  3293 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.963 ppm2      0.722 CV     1
 ASSI { 3299}
   (( segid "    " and resid 36   and name HB  ))
   (  segid "    " and resid 36   and name HG2%)
      6.000     4.500     0.000 peak  3299 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.968 ppm2      1.357 CV     1
 ASSI { 3300}
   (( segid "    " and resid 36   and name HB  ))
   (  segid "    " and resid 36   and name HG1%)
      6.000     4.500     0.000 peak  3300 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.968 ppm2      1.118 CV     1
 ASSI { 3303}
   (( segid "    " and resid 114  and name HB2 ))
   (( segid "    " and resid 114  and name HD2 ))
      6.000     4.500     0.000 peak  3303 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.881 ppm2      3.668 CV     1
 ASSI { 3308}
   (( segid "    " and resid 114  and name HB2 ))
   (( segid "    " and resid 114  and name HG1 ))
      6.000     4.500     0.000 peak  3308 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.877 ppm2      2.471 CV     1
 ASSI { 3309}
   (( segid "    " and resid 114  and name HB2 ))
   (( segid "    " and resid 114  and name HB1 ))
      6.000     4.500     0.000 peak  3309 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.880 ppm2      2.108 CV     1
 ASSI { 3310}
   (( segid "    " and resid 114  and name HB2 ))
   (  segid "    " and resid 100  and name HD2%)
      6.000     4.500     0.000 peak  3310 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.878 ppm2      1.076 CV     1
 ASSI { 3311}
   (( segid "    " and resid 48   and name HG2 ))
   (( segid "    " and resid 48   and name HB1 ))
      6.000     4.500     0.000 peak  3311 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.556 ppm2      2.040 CV     1
 ASSI { 3321}
   (( segid "    " and resid 99   and name HB2 ))
   (( segid "    " and resid 99   and name HB1 ))
      6.000     4.500     0.000 peak  3321 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.140 ppm2      2.251 CV     1
 ASSI { 3324}
   (( segid "    " and resid 99   and name HB2 ))
   (( segid "    " and resid 4    and name HB2 ))
      6.000     4.500     0.000 peak  3324 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.127 ppm2      2.729 CV     1
 ASSI { 3325}
   (( segid "    " and resid 114  and name HB1 ))
   (( segid "    " and resid 114  and name HD1 ))
      6.000     4.500     0.000 peak  3325 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.120 ppm2      4.183 CV     1
 ASSI { 3326}
   (( segid "    " and resid 114  and name HB1 ))
   (( segid "    " and resid 114  and name HD2 ))
      6.000     4.500     0.000 peak  3326 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.115 ppm2      3.687 CV     1
 ASSI { 3328}
   (( segid "    " and resid 114  and name HB1 ))
   (( segid "    " and resid 114  and name HG1 ))
      6.000     4.500     0.000 peak  3328 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.114 ppm2      2.478 CV     1
 ASSI { 3330}
   (( segid "    " and resid 114  and name HB1 ))
   (  segid "    " and resid 100  and name HD2%)
      6.000     4.500     0.000 peak  3330 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.110 ppm2      1.070 CV     1
 ASSI { 3342}
   (( segid "    " and resid 79   and name HG1 ))
   (( segid "    " and resid 75   and name HB1 ))
      6.000     4.500     0.000 peak  3342 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.679 ppm2      2.322 CV     1
 ASSI { 3343}
   (( segid "    " and resid 79   and name HG1 ))
   (( segid "    " and resid 78   and name HB2 ))
      6.000     4.500     0.000 peak  3343 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.670 ppm2      1.991 CV     1
 ASSI { 3344}
   (( segid "    " and resid 79   and name HG2 ))
   (( segid "    " and resid 75   and name HG1 ))
      6.000     4.500     0.000 peak  3344 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.592 ppm2      1.701 CV     1
 ASSI { 3347}
   (( segid "    " and resid 79   and name HG2 ))
   (( segid "    " and resid 76   and name HA  ))
      6.000     4.500     0.000 peak  3347 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.583 ppm2      3.599 CV     1
 ASSI { 3350}
   (( segid "    " and resid 48   and name HG2 ))
   (( segid "    " and resid 48   and name HB2 ))
      6.000     4.500     0.000 peak  3350 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.573 ppm2      2.310 CV     1
 ASSI { 3353}
   (( segid "    " and resid 48   and name HG2 ))
   (( segid "    " and resid 48   and name HA  ))
      6.000     4.500     0.000 peak  3353 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.553 ppm2      4.322 CV     1
 ASSI { 3354}
   (( segid "    " and resid 48   and name HG1 ))
   (( segid "    " and resid 48   and name HB1 ))
      6.000     4.500     0.000 peak  3354 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.478 ppm2      2.046 CV     1
 ASSI { 3357}
   (( segid "    " and resid 142  and name HB2 ))
   (( segid "    " and resid 142  and name HG1 ))
      6.000     4.500     0.000 peak  3357 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.275 ppm2      2.654 CV     1
 ASSI { 3361}
   (( segid "    " and resid 142  and name HB1 ))
   (( segid "    " and resid 142  and name HB2 ))
      6.000     4.500     0.000 peak  3361 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.103 ppm2      2.261 CV     1
 ASSI { 3362}
   (( segid "    " and resid 142  and name HB1 ))
   (( segid "    " and resid 135  and name HB2 ))
      6.000     4.500     0.000 peak  3362 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.102 ppm2      1.742 CV     1
 ASSI { 3365}
   (( segid "    " and resid 136  and name HB  ))
   (  segid "    " and resid 136  and name HG2%)
      6.000     4.500     0.000 peak  3365 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.951 ppm2      1.043 CV     1
 OR { 3365}
   (( segid "    " and resid 136  and name HB  ))
   (  segid "    " and resid 136  and name HG1%)
 ASSI { 3371}
   (( segid "    " and resid 145  and name HG2 ))
   (( segid "    " and resid 148  and name HB1 ))
      6.000     4.500     0.000 peak  3371 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.490 ppm2      3.271 CV     1
 OR { 3371}
   (( segid "    " and resid 145  and name HG1 ))
   (( segid "    " and resid 148  and name HB1 ))
 ASSI { 3372}
   (( segid "    " and resid 145  and name HG1 ))
   (( segid "    " and resid 142  and name HG2 ))
      6.000     4.500     0.000 peak  3372 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.486 ppm2      2.849 CV     1
 OR { 3372}
   (( segid "    " and resid 145  and name HG2 ))
   (( segid "    " and resid 142  and name HG2 ))
 ASSI { 3374}
   (( segid "    " and resid 145  and name HG1 ))
   (( segid "    " and resid 145  and name HB2 ))
      6.000     4.500     0.000 peak  3374 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.488 ppm2      2.306 CV     1
 OR { 3374}
   (( segid "    " and resid 145  and name HG1 ))
   (( segid "    " and resid 145  and name HB1 ))
 OR { 3374}
   (( segid "    " and resid 145  and name HG2 ))
   (( segid "    " and resid 145  and name HB2 ))
 OR { 3374}
   (( segid "    " and resid 145  and name HG2 ))
   (( segid "    " and resid 145  and name HB1 ))
 ASSI { 3376}
   (( segid "    " and resid 145  and name HG2 ))
   (( segid "    " and resid 146  and name HG12))
      6.000     4.500     0.000 peak  3376 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.490 ppm2      1.595 CV     1
 OR { 3376}
   (( segid "    " and resid 145  and name HG1 ))
   (( segid "    " and resid 146  and name HG12))
 ASSI { 3379}
   (( segid "    " and resid 145  and name HG2 ))
   (( segid "    " and resid 146  and name HG11))
      6.000     4.500     0.000 peak  3379 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.491 ppm2      0.971 CV     1
 OR { 3379}
   (( segid "    " and resid 145  and name HG1 ))
   (( segid "    " and resid 146  and name HG11))
 ASSI { 3386}
   (( segid "    " and resid 142  and name HB2 ))
   (( segid "    " and resid 142  and name HG2 ))
      6.000     4.500     0.000 peak  3386 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.260 ppm2      2.821 CV     1
 ASSI { 3387}
   (( segid "    " and resid 142  and name HB2 ))
   (( segid "    " and resid 145  and name HG1 ))
      6.000     4.500     0.000 peak  3387 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.260 ppm2      2.483 CV     1
 OR { 3387}
   (( segid "    " and resid 142  and name HB2 ))
   (( segid "    " and resid 145  and name HG2 ))
 ASSI { 3391}
   (( segid "    " and resid 14   and name HB1 ))
   (  segid "    " and resid 54   and name HD2%)
      6.000     4.500     0.000 peak  3391 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.884 ppm2     -0.632 CV     1
 OR { 3391}
   (( segid "    " and resid 14   and name HB1 ))
   (  segid "    " and resid 54   and name HD1%)
 ASSI { 3392}
   (( segid "    " and resid 14   and name HB1 ))
   (( segid "    " and resid 14   and name HB2 ))
      6.000     4.500     0.000 peak  3392 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.871 ppm2      1.143 CV     1
 ASSI { 3402}
   (( segid "    " and resid 14   and name HB2 ))
   (( segid "    " and resid 14   and name HG1 ))
      6.000     4.500     0.000 peak  3402 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.145 ppm2      1.456 CV     1
 ASSI { 3404}
   (( segid "    " and resid 14   and name HB2 ))
   (( segid "    " and resid 14   and name HG2 ))
      6.000     4.500     0.000 peak  3404 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.135 ppm2      2.172 CV     1
 ASSI { 3407}
   (( segid "    " and resid 14   and name HB2 ))
   (( segid "    " and resid 54   and name HB2 ))
      6.000     4.500     0.000 peak  3407 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.139 ppm2      0.973 CV     1
 ASSI { 3410}
   (( segid "    " and resid 14   and name HB2 ))
   (  segid "    " and resid 54   and name HD2%)
      6.000     4.500     0.000 peak  3410 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.133 ppm2     -0.631 CV     1
 OR { 3410}
   (( segid "    " and resid 14   and name HB2 ))
   (  segid "    " and resid 54   and name HD1%)
 ASSI { 3426}
   (( segid "    " and resid 14   and name HB1 ))
   (( segid "    " and resid 14   and name HG1 ))
      6.000     4.500     0.000 peak  3426 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.892 ppm2      1.476 CV     1
 ASSI { 3427}
   (( segid "    " and resid 14   and name HB1 ))
   (( segid "    " and resid 54   and name HB1 ))
      6.000     4.500     0.000 peak  3427 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.888 ppm2      0.383 CV     1
 ASSI { 3431}
   (( segid "    " and resid 99   and name HG2 ))
   (( segid "    " and resid 99   and name HG1 ))
      6.000     4.500     0.000 peak  3431 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.198 ppm2      2.699 CV     1
 ASSI { 3433}
   (( segid "    " and resid 83   and name HB  ))
   (( segid "    " and resid 85   and name HG1 ))
      6.000     4.500     0.000 peak  3433 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.120 ppm2      1.448 CV     1
 OR { 3433}
   (( segid "    " and resid 83   and name HB  ))
   (( segid "    " and resid 85   and name HG2 ))
 ASSI { 3434}
   (( segid "    " and resid 83   and name HB  ))
   (  segid "    " and resid 83   and name HG2%)
      6.000     4.500     0.000 peak  3434 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.116 ppm2      0.987 CV     1
 OR { 3434}
   (( segid "    " and resid 83   and name HB  ))
   (  segid "    " and resid 83   and name HG1%)
 ASSI { 3440}
   (( segid "    " and resid 41   and name HB1 ))
   (( segid "    " and resid 41   and name HD2 ))
      6.000     4.500     0.000 peak  3440 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.725 ppm2      3.190 CV     1
 OR { 3440}
   (( segid "    " and resid 41   and name HB2 ))
   (( segid "    " and resid 41   and name HD2 ))
 ASSI { 3446}
   (( segid "    " and resid 51   and name HB2 ))
   (( segid "    " and resid 51   and name HD1 ))
      6.000     4.500     0.000 peak  3446 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.163 ppm2      3.866 CV     1
 ASSI { 3447}
   (( segid "    " and resid 51   and name HB2 ))
   (( segid "    " and resid 51   and name HA  ))
      6.000     4.500     0.000 peak  3447 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.149 ppm2      4.441 CV     1
 ASSI { 3448}
   (( segid "    " and resid 51   and name HB2 ))
   (( segid "    " and resid 51   and name HB1 ))
      6.000     4.500     0.000 peak  3448 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.154 ppm2      2.451 CV     1
 ASSI { 3449}
   (( segid "    " and resid 51   and name HB2 ))
   (( segid "    " and resid 51   and name HG1 ))
      6.000     4.500     0.000 peak  3449 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.152 ppm2      1.873 CV     1
 ASSI { 3451}
   (( segid "    " and resid 83   and name HB  ))
   (( segid "    " and resid 11   and name HG  ))
      6.000     4.500     0.000 peak  3451 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.133 ppm2      0.833 CV     1
 ASSI { 3453}
   (( segid "    " and resid 105  and name HB  ))
   (( segid "    " and resid 104  and name HA  ))
      6.000     4.500     0.000 peak  3453 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.022 ppm2      4.268 CV     1
 ASSI { 3458}
   (( segid "    " and resid 142  and name HG2 ))
   (( segid "    " and resid 142  and name HG1 ))
      6.000     4.500     0.000 peak  3458 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.818 ppm2      2.672 CV     1
 ASSI { 3460}
   (( segid "    " and resid 142  and name HG2 ))
   (( segid "    " and resid 142  and name HB1 ))
      6.000     4.500     0.000 peak  3460 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.817 ppm2      2.101 CV     1
 ASSI { 3466}
   (( segid "    " and resid 51   and name HB1 ))
   (( segid "    " and resid 51   and name HD2 ))
      6.000     4.500     0.000 peak  3466 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.444 ppm2      3.426 CV     1
 ASSI { 3469}
   (( segid "    " and resid 29   and name HB2 ))
   (( segid "    " and resid 30   and name HA  ))
      6.000     4.500     0.000 peak  3469 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.399 ppm2      3.918 CV     1
 ASSI { 3470}
   (( segid "    " and resid 29   and name HB2 ))
   (( segid "    " and resid 29   and name HD1 ))
      6.000     4.500     0.000 peak  3470 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.397 ppm2      3.673 CV     1
 ASSI { 3471}
   (( segid "    " and resid 29   and name HB2 ))
   (( segid "    " and resid 29   and name HD2 ))
      6.000     4.500     0.000 peak  3471 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.396 ppm2      2.758 CV     1
 ASSI { 3473}
   (( segid "    " and resid 29   and name HB2 ))
   (( segid "    " and resid 29   and name HB1 ))
      6.000     4.500     0.000 peak  3473 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.397 ppm2      1.904 CV     1
 ASSI { 3474}
   (( segid "    " and resid 29   and name HB2 ))
   (( segid "    " and resid 64   and name HG  ))
      6.000     4.500     0.000 peak  3474 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.400 ppm2      0.770 CV     1
 ASSI { 3475}
   (( segid "    " and resid 29   and name HB2 ))
   (  segid "    " and resid 28   and name HG2%)
      6.000     4.500     0.000 peak  3475 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.401 ppm2      0.638 CV     1
 ASSI { 3477}
   (( segid "    " and resid 50   and name HG2 ))
   (( segid "    " and resid 48   and name HG2 ))
      6.000     4.500     0.000 peak  3477 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.389 ppm2      2.538 CV     1
 OR { 3477}
   (( segid "    " and resid 50   and name HG1 ))
   (( segid "    " and resid 48   and name HG2 ))
 ASSI { 3478}
   (( segid "    " and resid 50   and name HG1 ))
   (( segid "    " and resid 50   and name HB2 ))
      6.000     4.500     0.000 peak  3478 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.388 ppm2      2.040 CV     1
 OR { 3478}
   (( segid "    " and resid 50   and name HG1 ))
   (( segid "    " and resid 50   and name HB1 ))
 OR { 3478}
   (( segid "    " and resid 50   and name HG2 ))
   (( segid "    " and resid 50   and name HB2 ))
 OR { 3478}
   (( segid "    " and resid 50   and name HG2 ))
   (( segid "    " and resid 50   and name HB1 ))
 ASSI { 3480}
   (( segid "    " and resid 105  and name HB  ))
   (( segid "    " and resid 104  and name HB2 ))
      6.000     4.500     0.000 peak  3480 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.049 ppm2      2.381 CV     1
 ASSI { 3481}
   (( segid "    " and resid 157  and name HB2 ))
   (( segid "    " and resid 157  and name HG2 ))
      6.000     4.500     0.000 peak  3481 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.997 ppm2      1.298 CV     1
 ASSI { 3484}
   (( segid "    " and resid 29   and name HB1 ))
   (( segid "    " and resid 29   and name HD1 ))
      6.000     4.500     0.000 peak  3484 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.902 ppm2      3.672 CV     1
 ASSI { 3485}
   (( segid "    " and resid 29   and name HB1 ))
   (( segid "    " and resid 29   and name HD2 ))
      6.000     4.500     0.000 peak  3485 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.901 ppm2      2.759 CV     1
 ASSI { 3487}
   (( segid "    " and resid 29   and name HB1 ))
   (( segid "    " and resid 64   and name HG  ))
      6.000     4.500     0.000 peak  3487 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.903 ppm2      0.757 CV     1
 ASSI { 3488}
   (( segid "    " and resid 157  and name HB1 ))
   (( segid "    " and resid 157  and name HG2 ))
      6.000     4.500     0.000 peak  3488 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.838 ppm2      1.297 CV     1
 ASSI { 3489}
   (( segid "    " and resid 157  and name HB1 ))
   (( segid "    " and resid 157  and name HG1 ))
      6.000     4.500     0.000 peak  3489 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.833 ppm2      1.647 CV     1
 ASSI { 3490}
   (( segid "    " and resid 110  and name HB1 ))
   (( segid "    " and resid 111  and name HB1 ))
      6.000     4.500     0.000 peak  3490 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.420 ppm2      0.934 CV     1
 ASSI { 3495}
   (( segid "    " and resid 47   and name HB1 ))
   (( segid "    " and resid 90   and name HA1 ))
      6.000     4.500     0.000 peak  3495 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.447 ppm2      3.913 CV     1
 ASSI { 3502}
   (( segid "    " and resid 110  and name HB2 ))
   (( segid "    " and resid 110  and name HA  ))
      6.000     4.500     0.000 peak  3502 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.655 ppm2      4.240 CV     1
 ASSI { 3503}
   (( segid "    " and resid 110  and name HB2 ))
   (( segid "    " and resid 74   and name HG2 ))
      6.000     4.500     0.000 peak  3503 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.655 ppm2      2.951 CV     1
 ASSI { 3504}
   (( segid "    " and resid 110  and name HB2 ))
   (( segid "    " and resid 70   and name HG  ))
      6.000     4.500     0.000 peak  3504 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.654 ppm2      1.381 CV     1
 ASSI { 3506}
   (( segid "    " and resid 110  and name HB2 ))
   (( segid "    " and resid 110  and name HD1 ))
      6.000     4.500     0.000 peak  3506 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.642 ppm2      3.251 CV     1
 OR { 3506}
   (( segid "    " and resid 110  and name HB2 ))
   (( segid "    " and resid 110  and name HD2 ))
 ASSI { 3509}
   (( segid "    " and resid 154  and name HB1 ))
   (( segid "    " and resid 154  and name HG2 ))
      6.000     4.500     0.000 peak  3509 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.422 ppm2      1.196 CV     1
 OR { 3509}
   (( segid "    " and resid 154  and name HB2 ))
   (( segid "    " and resid 154  and name HG2 ))
 ASSI { 3519}
   (( segid "    " and resid 72   and name HB1 ))
   (( segid "    " and resid 69   and name HA  ))
      6.000     4.500     0.000 peak  3519 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.452 ppm2      4.211 CV     1
 ASSI { 3521}
   (( segid "    " and resid 72   and name HB1 ))
   (( segid "    " and resid 64   and name HG  ))
      6.000     4.500     0.000 peak  3521 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.450 ppm2      0.787 CV     1
 ASSI { 3522}
   (( segid "    " and resid 72   and name HB1 ))
   (  segid "    " and resid 28   and name HG2%)
      6.000     4.500     0.000 peak  3522 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.452 ppm2      0.629 CV     1
 ASSI { 3523}
   (( segid "    " and resid 72   and name HB1 ))
   (( segid "    " and resid 72   and name HB2 ))
      6.000     4.500     0.000 peak  3523 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.449 ppm2      2.950 CV     1
 ASSI { 3524}
   (( segid "    " and resid 72   and name HB1 ))
   (  segid "    " and resid 73   and name HG2%)
      6.000     4.500     0.000 peak  3524 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.446 ppm2      1.075 CV     1
 ASSI { 3529}
   (( segid "    " and resid 72   and name HB2 ))
   (  segid "    " and resid 28   and name HG2%)
      6.000     4.500     0.000 peak  3529 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.953 ppm2      0.609 CV     1
 ASSI { 3533}
   (( segid "    " and resid 138  and name HB1 ))
   (( segid "    " and resid 138  and name HD1 ))
      6.000     4.500     0.000 peak  3533 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.416 ppm2      4.023 CV     1
 OR { 3533}
   (( segid "    " and resid 138  and name HB1 ))
   (( segid "    " and resid 138  and name HD2 ))
 ASSI { 3534}
   (( segid "    " and resid 138  and name HB1 ))
   (  segid "    " and resid 105  and name HG2%)
      6.000     4.500     0.000 peak  3534 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.418 ppm2      1.033 CV     1
 OR { 3534}
   (( segid "    " and resid 138  and name HB1 ))
   (  segid "    " and resid 105  and name HG1%)
 ASSI { 3536}
   (( segid "    " and resid 91   and name HG2 ))
   (( segid "    " and resid 91   and name HD2 ))
      6.000     4.500     0.000 peak  3536 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.087 ppm2      3.679 CV     1
 OR { 3536}
   (( segid "    " and resid 91   and name HG1 ))
   (( segid "    " and resid 91   and name HD2 ))
 ASSI { 3537}
   (( segid "    " and resid 91   and name HG2 ))
   (( segid "    " and resid 51   and name HD2 ))
      6.000     4.500     0.000 peak  3537 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.092 ppm2      3.461 CV     1
 OR { 3537}
   (( segid "    " and resid 91   and name HG1 ))
   (( segid "    " and resid 51   and name HD2 ))
 ASSI { 3538}
   (( segid "    " and resid 91   and name HG2 ))
   (( segid "    " and resid 91   and name HB2 ))
      6.000     4.500     0.000 peak  3538 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.083 ppm2      1.820 CV     1
 OR { 3538}
   (( segid "    " and resid 91   and name HG1 ))
   (( segid "    " and resid 91   and name HB1 ))
 OR { 3538}
   (( segid "    " and resid 91   and name HG2 ))
   (( segid "    " and resid 91   and name HB1 ))
 OR { 3538}
   (( segid "    " and resid 91   and name HG1 ))
   (( segid "    " and resid 91   and name HB2 ))
 ASSI { 3541}
   (( segid "    " and resid 23   and name HB2 ))
   (( segid "    " and resid 23   and name HA  ))
      6.000     4.500     0.000 peak  3541 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.966 ppm2      4.004 CV     1
 OR { 3541}
   (( segid "    " and resid 23   and name HB1 ))
   (( segid "    " and resid 23   and name HA  ))
 ASSI { 3543}
   (( segid "    " and resid 23   and name HB2 ))
   (( segid "    " and resid 23   and name HG2 ))
      6.000     4.500     0.000 peak  3543 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.966 ppm2      1.567 CV     1
 OR { 3543}
   (( segid "    " and resid 23   and name HB1 ))
   (( segid "    " and resid 23   and name HG2 ))
 ASSI { 3546}
   (( segid "    " and resid 138  and name HB2 ))
   (( segid "    " and resid 138  and name HD2 ))
      6.000     4.500     0.000 peak  3546 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.863 ppm2      4.029 CV     1
 OR { 3546}
   (( segid "    " and resid 138  and name HB2 ))
   (( segid "    " and resid 138  and name HD1 ))
 ASSI { 3550}
   (( segid "    " and resid 138  and name HB2 ))
   (  segid "    " and resid 105  and name HG2%)
      6.000     4.500     0.000 peak  3550 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.836 ppm2      1.030 CV     1
 OR { 3550}
   (( segid "    " and resid 138  and name HB2 ))
   (  segid "    " and resid 105  and name HG1%)
 ASSI { 3552}
   (( segid "    " and resid 91   and name HB2 ))
   (( segid "    " and resid 91   and name HD1 ))
      6.000     4.500     0.000 peak  3552 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.815 ppm2      3.482 CV     1
 OR { 3552}
   (( segid "    " and resid 91   and name HB1 ))
   (( segid "    " and resid 91   and name HD1 ))
 ASSI { 3557}
   (( segid "    " and resid 119  and name HB2 ))
   (( segid "    " and resid 146  and name HG12))
      6.000     4.500     0.000 peak  3557 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.691 ppm2      1.600 CV     1
 ASSI { 3560}
   (( segid "    " and resid 119  and name HB2 ))
   (( segid "    " and resid 119  and name HB1 ))
      6.000     4.500     0.000 peak  3560 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.662 ppm2      1.496 CV     1
 ASSI { 3567}
   (( segid "    " and resid 119  and name HB1 ))
   (  segid "    " and resid 146  and name HD1%)
      6.000     4.500     0.000 peak  3567 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.507 ppm2      0.514 CV     1
 ASSI { 3571}
   (( segid "    " and resid 115  and name HB2 ))
   (( segid "    " and resid 115  and name HB1 ))
      6.000     4.500     0.000 peak  3571 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.787 ppm2      3.005 CV     1
 ASSI { 3574}
   (( segid "    " and resid 115  and name HB1 ))
   (( segid "    " and resid 118  and name HB1 ))
      6.000     4.500     0.000 peak  3574 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.013 ppm2      1.953 CV     1
 OR { 3574}
   (( segid "    " and resid 115  and name HB1 ))
   (( segid "    " and resid 118  and name HB2 ))
 ASSI { 3576}
   (( segid "    " and resid 72   and name HB2 ))
   (( segid "    " and resid 69   and name HA  ))
      6.000     4.500     0.000 peak  3576 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.960 ppm2      4.198 CV     1
 ASSI { 3585}
   (( segid "    " and resid 2    and name HB  ))
   (( segid "    " and resid 1    and name HG21))
      6.000     4.500     0.000 peak  3585 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.763 ppm2      0.560 CV     1
 ASSI { 3588}
   (( segid "    " and resid 32   and name HB2 ))
   (( segid "    " and resid 32   and name HB1 ))
      6.000     4.500     0.000 peak  3588 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.337 ppm2      3.130 CV     1
 ASSI { 3593}
   (( segid "    " and resid 32   and name HB1 ))
   (( segid "    " and resid 61   and name HB1 ))
      6.000     4.500     0.000 peak  3593 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.139 ppm2      1.313 CV     1
 ASSI { 3597}
   (( segid "    " and resid 32   and name HB1 ))
   (( segid "    " and resid 61   and name HB2 ))
      6.000     4.500     0.000 peak  3597 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.129 ppm2      1.780 CV     1
 ASSI { 3602}
   (( segid "    " and resid 17   and name HG1 ))
   (  segid "    " and resid 94   and name HD2%)
      6.000     4.500     0.000 peak  3602 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.647 ppm2      0.855 CV     1
 OR { 3602}
   (( segid "    " and resid 17   and name HG1 ))
   (  segid "    " and resid 94   and name HD1%)
 OR { 3602}
   (( segid "    " and resid 17   and name HG2 ))
   (  segid "    " and resid 94   and name HD2%)
 OR { 3602}
   (( segid "    " and resid 17   and name HG2 ))
   (  segid "    " and resid 94   and name HD1%)
 ASSI { 3603}
   (( segid "    " and resid 17   and name HG1 ))
   (( segid "    " and resid 17   and name HB2 ))
      6.000     4.500     0.000 peak  3603 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.641 ppm2      2.168 CV     1
 OR { 3603}
   (( segid "    " and resid 17   and name HG1 ))
   (( segid "    " and resid 17   and name HB1 ))
 OR { 3603}
   (( segid "    " and resid 17   and name HG2 ))
   (( segid "    " and resid 17   and name HB2 ))
 OR { 3603}
   (( segid "    " and resid 17   and name HG2 ))
   (( segid "    " and resid 17   and name HB1 ))
 ASSI { 3605}
   (( segid "    " and resid 17   and name HG2 ))
   (( segid "    " and resid 16   and name HG1 ))
      6.000     4.500     0.000 peak  3605 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.622 ppm2      2.329 CV     1
 OR { 3605}
   (( segid "    " and resid 17   and name HG1 ))
   (( segid "    " and resid 16   and name HG1 ))
 ASSI { 3609}
   (( segid "    " and resid 2    and name HB  ))
   (  segid "    " and resid 2    and name HG1%)
      6.000     4.500     0.000 peak  3609 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.765 ppm2      0.777 CV     1
 ASSI { 3610}
   (( segid "    " and resid 2    and name HB  ))
   (  segid "    " and resid 2    and name HG2%)
      6.000     4.500     0.000 peak  3610 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.765 ppm2      0.131 CV     1
 ASSI { 3614}
   (( segid "    " and resid 121  and name HB2 ))
   (( segid "    " and resid 121  and name HB1 ))
      6.000     4.500     0.000 peak  3614 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.871 ppm2     -0.659 CV     1
 ASSI { 3620}
   (( segid "    " and resid 121  and name HB1 ))
   (( segid "    " and resid 121  and name HG2 ))
      6.000     4.500     0.000 peak  3620 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1     -0.647 ppm2      1.339 CV     1
 ASSI { 3624}
   (( segid "    " and resid 104  and name HB2 ))
   (( segid "    " and resid 104  and name HB1 ))
      6.000     4.500     0.000 peak  3624 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.397 ppm2      2.182 CV     1
 ASSI { 3626}
   (( segid "    " and resid 104  and name HB2 ))
   (( segid "    " and resid 104  and name HA  ))
      6.000     4.500     0.000 peak  3626 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.387 ppm2      4.265 CV     1
 ASSI { 3629}
   (( segid "    " and resid 104  and name HB2 ))
   (  segid "    " and resid 106  and name HD1%)
      6.000     4.500     0.000 peak  3629 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.388 ppm2      0.639 CV     1
 ASSI { 3634}
   (( segid "    " and resid 104  and name HB1 ))
   (  segid "    " and resid 106  and name HD1%)
      6.000     4.500     0.000 peak  3634 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.188 ppm2      0.638 CV     1
 ASSI { 3645}
   (( segid "    " and resid 121  and name HB1 ))
   (( segid "    " and resid 121  and name HA  ))
      6.000     4.500     0.000 peak  3645 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1     -0.659 ppm2      4.127 CV     1
 ASSI { 3646}
   (( segid "    " and resid 127  and name HB1 ))
   (  segid "    " and resid 57   and name HB% )
      6.000     4.500     0.000 peak  3646 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.722 ppm2      1.371 CV     1
 ASSI { 3648}
   (( segid "    " and resid 127  and name HB1 ))
   (( segid "    " and resid 127  and name HB2 ))
      6.000     4.500     0.000 peak  3648 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.710 ppm2      1.947 CV     1
 ASSI { 3649}
   (( segid "    " and resid 127  and name HB1 ))
   (( segid "    " and resid 127  and name HG1 ))
      6.000     4.500     0.000 peak  3649 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.709 ppm2      1.564 CV     1
 ASSI { 3650}
   (( segid "    " and resid 144  and name HB2 ))
   (( segid "    " and resid 144  and name HB1 ))
      6.000     4.500     0.000 peak  3650 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.138 ppm2      1.791 CV     1
 ASSI { 3653}
   (( segid "    " and resid 127  and name HB2 ))
   (( segid "    " and resid 127  and name HG1 ))
      6.000     4.500     0.000 peak  3653 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.954 ppm2      1.587 CV     1
 ASSI { 3655}
   (( segid "    " and resid 127  and name HB2 ))
   (  segid "    " and resid 57   and name HB% )
      6.000     4.500     0.000 peak  3655 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.940 ppm2      1.367 CV     1
 ASSI { 3665}
   (( segid "    " and resid 148  and name HB1 ))
   (( segid "    " and resid 148  and name HA  ))
      6.000     4.500     0.000 peak  3665 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.268 ppm2      4.442 CV     1
 ASSI { 3666}
   (( segid "    " and resid 148  and name HB1 ))
   (( segid "    " and resid 145  and name HA  ))
      6.000     4.500     0.000 peak  3666 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.269 ppm2      4.245 CV     1
 ASSI { 3670}
   (( segid "    " and resid 148  and name HB1 ))
   (( segid "    " and resid 147  and name HB2 ))
      6.000     4.500     0.000 peak  3670 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.276 ppm2      1.092 CV     1
 ASSI { 3672}
   (( segid "    " and resid 148  and name HB2 ))
   (( segid "    " and resid 144  and name HD1 ))
      6.000     4.500     0.000 peak  3672 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.202 ppm2      3.426 CV     1
 ASSI { 3673}
   (( segid "    " and resid 148  and name HB2 ))
   (( segid "    " and resid 148  and name HA  ))
      6.000     4.500     0.000 peak  3673 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.192 ppm2      4.426 CV     1
 ASSI { 3676}
   (( segid "    " and resid 148  and name HB2 ))
   (( segid "    " and resid 145  and name HA  ))
      6.000     4.500     0.000 peak  3676 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.187 ppm2      4.242 CV     1
 ASSI { 3679}
   (( segid "    " and resid 43   and name HB1 ))
   (( segid "    " and resid 44   and name HD1 ))
      6.000     4.500     0.000 peak  3679 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.452 ppm2      4.116 CV     1
 ASSI { 3681}
   (( segid "    " and resid 43   and name HB1 ))
   (( segid "    " and resid 43   and name HG1 ))
      6.000     4.500     0.000 peak  3681 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.450 ppm2      2.184 CV     1
 OR { 3681}
   (( segid "    " and resid 43   and name HB1 ))
   (( segid "    " and resid 43   and name HG2 ))
 ASSI { 3682}
   (( segid "    " and resid 43   and name HB1 ))
   (( segid "    " and resid 43   and name HB2 ))
      6.000     4.500     0.000 peak  3682 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.447 ppm2      2.016 CV     1
 ASSI { 3686}
   (( segid "    " and resid 50   and name HB1 ))
   (( segid "    " and resid 51   and name HD2 ))
      6.000     4.500     0.000 peak  3686 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.021 ppm2      3.437 CV     1
 OR { 3686}
   (( segid "    " and resid 50   and name HB2 ))
   (( segid "    " and resid 51   and name HD2 ))
 ASSI { 3688}
   (( segid "    " and resid 50   and name HB1 ))
   (( segid "    " and resid 44   and name HG2 ))
      6.000     4.500     0.000 peak  3688 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.019 ppm2      2.190 CV     1
 OR { 3688}
   (( segid "    " and resid 50   and name HB2 ))
   (( segid "    " and resid 44   and name HG2 ))
 OR { 3688}
   (( segid "    " and resid 50   and name HB1 ))
   (( segid "    " and resid 44   and name HG1 ))
 OR { 3688}
   (( segid "    " and resid 50   and name HB2 ))
   (( segid "    " and resid 44   and name HG1 ))
 ASSI { 3693}
   (( segid "    " and resid 141  and name HB2 ))
   (( segid "    " and resid 137  and name HB2 ))
      6.000     4.500     0.000 peak  3693 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.864 ppm2      3.403 CV     1
 ASSI { 3699}
   (( segid "    " and resid 141  and name HB1 ))
   (( segid "    " and resid 141  and name HG1 ))
      6.000     4.500     0.000 peak  3699 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.778 ppm2      2.278 CV     1
 ASSI { 3700}
   (( segid "    " and resid 141  and name HB1 ))
   (( segid "    " and resid 141  and name HG2 ))
      6.000     4.500     0.000 peak  3700 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.779 ppm2      2.040 CV     1
 ASSI { 3704}
   (( segid "    " and resid 88   and name HB2 ))
   (( segid "    " and resid 88   and name HA  ))
      6.000     4.500     0.000 peak  3704 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.688 ppm2      4.077 CV     1
 ASSI { 3706}
   (( segid "    " and resid 88   and name HB2 ))
   (( segid "    " and resid 88   and name HD1 ))
      6.000     4.500     0.000 peak  3706 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.681 ppm2      2.723 CV     1
 ASSI { 3707}
   (( segid "    " and resid 88   and name HB2 ))
   (( segid "    " and resid 88   and name HG1 ))
      6.000     4.500     0.000 peak  3707 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.682 ppm2      1.109 CV     1
 OR { 3707}
   (( segid "    " and resid 88   and name HB2 ))
   (( segid "    " and resid 88   and name HG2 ))
 ASSI { 3708}
   (( segid "    " and resid 88   and name HB2 ))
   (( segid "    " and resid 88   and name HB1 ))
      6.000     4.500     0.000 peak  3708 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.677 ppm2      1.525 CV     1
 ASSI { 3711}
   (( segid "    " and resid 82   and name HB1 ))
   (( segid "    " and resid 77   and name HB1 ))
      6.000     4.500     0.000 peak  3711 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.601 ppm2      2.594 CV     1
 OR { 3711}
   (( segid "    " and resid 82   and name HB2 ))
   (( segid "    " and resid 77   and name HB1 ))
 ASSI { 3712}
   (( segid "    " and resid 82   and name HB2 ))
   (( segid "    " and resid 82   and name HD2 ))
      6.000     4.500     0.000 peak  3712 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.593 ppm2      3.353 CV     1
 OR { 3712}
   (( segid "    " and resid 82   and name HB1 ))
   (( segid "    " and resid 82   and name HD2 ))
 ASSI { 3715}
   (( segid "    " and resid 18   and name HB  ))
   (  segid "    " and resid 22   and name HD2%)
      6.000     4.500     0.000 peak  3715 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.543 ppm2      0.915 CV     1
 ASSI { 3716}
   (( segid "    " and resid 18   and name HB  ))
   (  segid "    " and resid 7    and name HG2%)
      6.000     4.500     0.000 peak  3716 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.541 ppm2      0.800 CV     1
 ASSI { 3717}
   (( segid "    " and resid 18   and name HB  ))
   (  segid "    " and resid 18   and name HG1%)
      6.000     4.500     0.000 peak  3717 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.540 ppm2      0.635 CV     1
 ASSI { 3718}
   (( segid "    " and resid 18   and name HB  ))
   (  segid "    " and resid 18   and name HG2%)
      6.000     4.500     0.000 peak  3718 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.541 ppm2      0.234 CV     1
 ASSI { 3719}
   (( segid "    " and resid 18   and name HB  ))
   (  segid "    " and resid 54   and name HD2%)
      6.000     4.500     0.000 peak  3719 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.537 ppm2     -0.634 CV     1
 ASSI { 3720}
   (( segid "    " and resid 88   and name HB1 ))
   (( segid "    " and resid 88   and name HA  ))
      6.000     4.500     0.000 peak  3720 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.529 ppm2      4.078 CV     1
 ASSI { 3724}
   (( segid "    " and resid 88   and name HB1 ))
   (( segid "    " and resid 88   and name HG2 ))
      6.000     4.500     0.000 peak  3724 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.526 ppm2      1.101 CV     1
 OR { 3724}
   (( segid "    " and resid 88   and name HB1 ))
   (( segid "    " and resid 88   and name HG1 ))
 ASSI { 3725}
   (( segid "    " and resid 88   and name HB1 ))
   (( segid "    " and resid 88   and name HD1 ))
      6.000     4.500     0.000 peak  3725 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.517 ppm2      2.725 CV     1
 ASSI { 3727}
   (( segid "    " and resid 66   and name HB2 ))
   (  segid "    " and resid 111  and name HD1%)
      6.000     4.500     0.000 peak  3727 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.293 ppm2      0.350 CV     1
 ASSI { 3730}
   (( segid "    " and resid 66   and name HB2 ))
   (( segid "    " and resid 66   and name HB1 ))
      6.000     4.500     0.000 peak  3730 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.286 ppm2      0.555 CV     1
 ASSI { 3734}
   (( segid "    " and resid 66   and name HB1 ))
   (( segid "    " and resid 66   and name HG2 ))
      6.000     4.500     0.000 peak  3734 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.557 ppm2      1.740 CV     1
 ASSI { 3743}
   (( segid "    " and resid 118  and name HG1 ))
   (( segid "    " and resid 124  and name HB1 ))
      6.000     4.500     0.000 peak  3743 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.329 ppm2      2.177 CV     1
 OR { 3743}
   (( segid "    " and resid 118  and name HG1 ))
   (( segid "    " and resid 124  and name HB2 ))
 OR { 3743}
   (( segid "    " and resid 118  and name HG2 ))
   (( segid "    " and resid 124  and name HB1 ))
 OR { 3743}
   (( segid "    " and resid 118  and name HG2 ))
   (( segid "    " and resid 124  and name HB2 ))
 ASSI { 3744}
   (( segid "    " and resid 118  and name HG1 ))
   (( segid "    " and resid 118  and name HB2 ))
      6.000     4.500     0.000 peak  3744 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.329 ppm2      1.966 CV     1
 OR { 3744}
   (( segid "    " and resid 118  and name HG2 ))
   (( segid "    " and resid 118  and name HB1 ))
 OR { 3744}
   (( segid "    " and resid 118  and name HG1 ))
   (( segid "    " and resid 118  and name HB1 ))
 OR { 3744}
   (( segid "    " and resid 118  and name HG2 ))
   (( segid "    " and resid 118  and name HB2 ))
 ASSI { 3747}
   (( segid "    " and resid 130  and name HB1 ))
   (  segid "    " and resid 131  and name HG2%)
      6.000     4.500     0.000 peak  3747 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.642 ppm2      0.846 CV     1
 ASSI { 3749}
   (( segid "    " and resid 77   and name HB1 ))
   (( segid "    " and resid 78   and name HA  ))
      6.000     4.500     0.000 peak  3749 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.581 ppm2      4.210 CV     1
 ASSI { 3751}
   (( segid "    " and resid 77   and name HB1 ))
   (( segid "    " and resid 77   and name HB2 ))
      6.000     4.500     0.000 peak  3751 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.585 ppm2      1.816 CV     1
 ASSI { 3754}
   (( segid "    " and resid 48   and name HB2 ))
   (( segid "    " and resid 48   and name HB1 ))
      6.000     4.500     0.000 peak  3754 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.298 ppm2      2.040 CV     1
 ASSI { 3764}
   (( segid "    " and resid 50   and name HB2 ))
   (( segid "    " and resid 51   and name HG1 ))
      6.000     4.500     0.000 peak  3764 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.010 ppm2      1.876 CV     1
 OR { 3764}
   (( segid "    " and resid 50   and name HB1 ))
   (( segid "    " and resid 51   and name HG1 ))
 ASSI { 3769}
   (( segid "    " and resid 84   and name HB1 ))
   (( segid "    " and resid 84   and name HD2 ))
      6.000     4.500     0.000 peak  3769 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.868 ppm2      3.242 CV     1
 OR { 3769}
   (( segid "    " and resid 84   and name HB1 ))
   (( segid "    " and resid 84   and name HD1 ))
 OR { 3769}
   (( segid "    " and resid 84   and name HB2 ))
   (( segid "    " and resid 84   and name HD1 ))
 OR { 3769}
   (( segid "    " and resid 84   and name HB2 ))
   (( segid "    " and resid 84   and name HD2 ))
 ASSI { 3770}
   (( segid "    " and resid 84   and name HB2 ))
   (  segid "    " and resid 83   and name HG1%)
      6.000     4.500     0.000 peak  3770 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.866 ppm2      0.983 CV     1
 OR { 3770}
   (( segid "    " and resid 84   and name HB1 ))
   (  segid "    " and resid 83   and name HG1%)
 ASSI { 3772}
   (( segid "    " and resid 77   and name HB2 ))
   (( segid "    " and resid 77   and name HA  ))
      6.000     4.500     0.000 peak  3772 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.822 ppm2      3.771 CV     1
 ASSI { 3774}
   (( segid "    " and resid 141  and name HB1 ))
   (( segid "    " and resid 142  and name HG2 ))
      6.000     4.500     0.000 peak  3774 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.807 ppm2      2.852 CV     1
 ASSI { 3775}
   (( segid "    " and resid 141  and name HB1 ))
   (( segid "    " and resid 146  and name HG11))
      6.000     4.500     0.000 peak  3775 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.801 ppm2      0.987 CV     1
 ASSI { 3777}
   (( segid "    " and resid 61   and name HB2 ))
   (  segid "    " and resid 34   and name HD2%)
      6.000     4.500     0.000 peak  3777 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.761 ppm2      0.825 CV     1
 OR { 3777}
   (( segid "    " and resid 61   and name HB2 ))
   (  segid "    " and resid 34   and name HD1%)
 ASSI { 3780}
   (( segid "    " and resid 92   and name HB2 ))
   (( segid "    " and resid 92   and name HD1 ))
      6.000     4.500     0.000 peak  3780 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.656 ppm2      3.523 CV     1
 ASSI { 3783}
   (( segid "    " and resid 61   and name HB1 ))
   (( segid "    " and resid 61   and name HG2 ))
      6.000     4.500     0.000 peak  3783 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.312 ppm2      1.922 CV     1
 ASSI { 3788}
   (( segid "    " and resid 66   and name HB1 ))
   (( segid "    " and resid 66   and name HG1 ))
      6.000     4.500     0.000 peak  3788 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.556 ppm2      0.790 CV     1
 ASSI { 3790}
   (( segid "    " and resid 158  and name HB2 ))
   (( segid "    " and resid 39   and name HB1 ))
      6.000     4.500     0.000 peak  3790 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.077 ppm2      3.366 CV     1
 ASSI { 3791}
   (( segid "    " and resid 158  and name HB2 ))
   (( segid "    " and resid 54   and name HB2 ))
      6.000     4.500     0.000 peak  3791 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.076 ppm2      0.970 CV     1
 ASSI { 3792}
   (( segid "    " and resid 158  and name HB2 ))
   (  segid "    " and resid 54   and name HD1%)
      6.000     4.500     0.000 peak  3792 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.082 ppm2     -0.616 CV     1
 ASSI { 3794}
   (( segid "    " and resid 158  and name HB2 ))
   (( segid "    " and resid 158  and name HB1 ))
      6.000     4.500     0.000 peak  3794 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.071 ppm2      2.769 CV     1
 ASSI { 3800}
   (( segid "    " and resid 158  and name HB1 ))
   (( segid "    " and resid 54   and name HB2 ))
      6.000     4.500     0.000 peak  3800 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.767 ppm2      0.941 CV     1
 ASSI { 3801}
   (( segid "    " and resid 158  and name HB1 ))
   (  segid "    " and resid 54   and name HD1%)
      6.000     4.500     0.000 peak  3801 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.771 ppm2     -0.635 CV     1
 ASSI { 3802}
   (( segid "    " and resid 130  and name HB1 ))
   (( segid "    " and resid 130  and name HA  ))
      6.000     4.500     0.000 peak  3802 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.653 ppm2      3.890 CV     1
 ASSI { 3804}
   (( segid "    " and resid 130  and name HB1 ))
   (( segid "    " and resid 130  and name HB2 ))
      6.000     4.500     0.000 peak  3804 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.641 ppm2      2.286 CV     1
 ASSI { 3806}
   (( segid "    " and resid 68   and name HB1 ))
   (( segid "    " and resid 64   and name HG  ))
      6.000     4.500     0.000 peak  3806 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.292 ppm2      0.749 CV     1
 OR { 3806}
   (( segid "    " and resid 68   and name HB2 ))
   (( segid "    " and resid 64   and name HG  ))
 ASSI { 3808}
   (( segid "    " and resid 68   and name HB1 ))
   (( segid "    " and resid 68   and name HG2 ))
      6.000     4.500     0.000 peak  3808 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.284 ppm2      2.412 CV     1
 OR { 3808}
   (( segid "    " and resid 68   and name HB2 ))
   (( segid "    " and resid 68   and name HG1 ))
 OR { 3808}
   (( segid "    " and resid 68   and name HB2 ))
   (( segid "    " and resid 68   and name HG2 ))
 OR { 3808}
   (( segid "    " and resid 68   and name HB1 ))
   (( segid "    " and resid 68   and name HG1 ))
 ASSI { 3810}
   (( segid "    " and resid 68   and name HB1 ))
   (( segid "    " and resid 64   and name HB2 ))
      6.000     4.500     0.000 peak  3810 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.284 ppm2      1.745 CV     1
 OR { 3810}
   (( segid "    " and resid 68   and name HB2 ))
   (( segid "    " and resid 64   and name HB2 ))
 ASSI { 3811}
   (( segid "    " and resid 68   and name HB1 ))
   (  segid "    " and resid 65   and name HB% )
      6.000     4.500     0.000 peak  3811 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.283 ppm2      1.476 CV     1
 OR { 3811}
   (( segid "    " and resid 68   and name HB2 ))
   (  segid "    " and resid 65   and name HB% )
 ASSI { 3821}
   (( segid "    " and resid 87   and name HB2 ))
   (( segid "    " and resid 48   and name HB2 ))
      6.000     4.500     0.000 peak  3821 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.020 ppm2      2.313 CV     1
 OR { 3821}
   (( segid "    " and resid 87   and name HB1 ))
   (( segid "    " and resid 48   and name HB2 ))
 ASSI { 3824}
   (( segid "    " and resid 87   and name HB1 ))
   (( segid "    " and resid 87   and name HA  ))
      6.000     4.500     0.000 peak  3824 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.011 ppm2      4.193 CV     1
 OR { 3824}
   (( segid "    " and resid 87   and name HB2 ))
   (( segid "    " and resid 87   and name HA  ))
 ASSI { 3825}
   (( segid "    " and resid 158  and name HB1 ))
   (( segid "    " and resid 54   and name HG  ))
      6.000     4.500     0.000 peak  3825 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.776 ppm2      0.253 CV     1
 ASSI { 3827}
   (( segid "    " and resid 150  and name HB2 ))
   (( segid "    " and resid 150  and name HB1 ))
      6.000     4.500     0.000 peak  3827 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.263 ppm2      0.922 CV     1
 ASSI { 3838}
   (( segid "    " and resid 75   and name HB1 ))
   (( segid "    " and resid 72   and name HA  ))
      6.000     4.500     0.000 peak  3838 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.330 ppm2      4.399 CV     1
 ASSI { 3840}
   (( segid "    " and resid 75   and name HB1 ))
   (( segid "    " and resid 75   and name HB2 ))
      6.000     4.500     0.000 peak  3840 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.341 ppm2      1.904 CV     1
 ASSI { 3841}
   (( segid "    " and resid 75   and name HB1 ))
   (( segid "    " and resid 75   and name HG2 ))
      6.000     4.500     0.000 peak  3841 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.339 ppm2      1.580 CV     1
 ASSI { 3846}
   (( segid "    " and resid 28   and name HG11))
   (( segid "    " and resid 25   and name HA  ))
      6.000     4.500     0.000 peak  3846 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.084 ppm2      3.903 CV     1
 OR { 3846}
   (( segid "    " and resid 28   and name HG12))
   (( segid "    " and resid 25   and name HA  ))
 ASSI { 3847}
   (( segid "    " and resid 28   and name HG12))
   (( segid "    " and resid 28   and name HA  ))
      6.000     4.500     0.000 peak  3847 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.087 ppm2      3.784 CV     1
 OR { 3847}
   (( segid "    " and resid 28   and name HG11))
   (( segid "    " and resid 28   and name HA  ))
 ASSI { 3848}
   (( segid "    " and resid 28   and name HG11))
   (( segid "    " and resid 72   and name HB2 ))
      6.000     4.500     0.000 peak  3848 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.088 ppm2      2.939 CV     1
 OR { 3848}
   (( segid "    " and resid 28   and name HG12))
   (( segid "    " and resid 72   and name HB2 ))
 ASSI { 3851}
   (( segid "    " and resid 28   and name HG11))
   (  segid "    " and resid 28   and name HG2%)
      6.000     4.500     0.000 peak  3851 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.091 ppm2      0.624 CV     1
 OR { 3851}
   (( segid "    " and resid 28   and name HG12))
   (  segid "    " and resid 28   and name HG2%)
 ASSI { 3853}
   (( segid "    " and resid 75   and name HB2 ))
   (( segid "    " and resid 72   and name HA  ))
      6.000     4.500     0.000 peak  3853 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.907 ppm2      4.389 CV     1
 ASSI { 3855}
   (( segid "    " and resid 75   and name HB2 ))
   (( segid "    " and resid 75   and name HD1 ))
      6.000     4.500     0.000 peak  3855 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.901 ppm2      3.352 CV     1
 ASSI { 3857}
   (( segid "    " and resid 75   and name HB2 ))
   (( segid "    " and resid 75   and name HG2 ))
      6.000     4.500     0.000 peak  3857 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.906 ppm2      1.585 CV     1
 ASSI { 3859}
   (( segid "    " and resid 23   and name HD1 ))
   (( segid "    " and resid 23   and name HD2 ))
      6.000     4.500     0.000 peak  3859 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.705 ppm2      1.444 CV     1
 OR { 3859}
   (( segid "    " and resid 23   and name HD1 ))
   (( segid "    " and resid 23   and name HG1 ))
 ASSI { 3864}
   (( segid "    " and resid 23   and name HD1 ))
   (( segid "    " and resid 23   and name HB1 ))
      6.000     4.500     0.000 peak  3864 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.703 ppm2      1.970 CV     1
 OR { 3864}
   (( segid "    " and resid 23   and name HD1 ))
   (( segid "    " and resid 23   and name HB2 ))
 ASSI { 3865}
   (( segid "    " and resid 23   and name HD1 ))
   (( segid "    " and resid 23   and name HG2 ))
      6.000     4.500     0.000 peak  3865 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.702 ppm2      1.548 CV     1
 ASSI { 3866}
   (( segid "    " and resid 33   and name HG12))
   (( segid "    " and resid 33   and name HA  ))
      6.000     4.500     0.000 peak  3866 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.596 ppm2      3.902 CV     1
 OR { 3866}
   (( segid "    " and resid 33   and name HG11))
   (( segid "    " and resid 33   and name HA  ))
 ASSI { 3886}
   (( segid "    " and resid 145  and name HB2 ))
   (( segid "    " and resid 145  and name HA  ))
      6.000     4.500     0.000 peak  3886 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.327 ppm2      4.246 CV     1
 OR { 3886}
   (( segid "    " and resid 145  and name HB1 ))
   (( segid "    " and resid 145  and name HA  ))
 ASSI { 3895}
   (( segid "    " and resid 33   and name HG12))
   (( segid "    " and resid 34   and name HA  ))
      6.000     4.500     0.000 peak  3895 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.617 ppm2      4.510 CV     1
 OR { 3895}
   (( segid "    " and resid 33   and name HG11))
   (( segid "    " and resid 34   and name HA  ))
 ASSI { 3900}
   (( segid "    " and resid 33   and name HG12))
   (( segid "    " and resid 61   and name HB2 ))
      6.000     4.500     0.000 peak  3900 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.610 ppm2      1.758 CV     1
 OR { 3900}
   (( segid "    " and resid 33   and name HG11))
   (( segid "    " and resid 61   and name HB2 ))
 ASSI { 3901}
   (( segid "    " and resid 33   and name HG11))
   (( segid "    " and resid 22   and name HB2 ))
      6.000     4.500     0.000 peak  3901 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.611 ppm2      1.462 CV     1
 OR { 3901}
   (( segid "    " and resid 33   and name HG12))
   (( segid "    " and resid 22   and name HB2 ))
 ASSI { 3902}
   (( segid "    " and resid 23   and name HD2 ))
   (( segid "    " and resid 23   and name HD1 ))
      6.000     4.500     0.000 peak  3902 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.456 ppm2      1.696 CV     1
 ASSI { 3929}
   (( segid "    " and resid 145  and name HB1 ))
   (( segid "    " and resid 146  and name HG11))
      6.000     4.500     0.000 peak  3929 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.319 ppm2      1.012 CV     1
 OR { 3929}
   (( segid "    " and resid 145  and name HB2 ))
   (( segid "    " and resid 146  and name HG11))
 ASSI { 3932}
   (( segid "    " and resid 67   and name HB1 ))
   (( segid "    " and resid 66   and name HB2 ))
      6.000     4.500     0.000 peak  3932 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.864 ppm2      1.293 CV     1
 OR { 3932}
   (( segid "    " and resid 67   and name HB2 ))
   (( segid "    " and resid 66   and name HB2 ))
 ASSI { 3933}
   (( segid "    " and resid 67   and name HB1 ))
   (  segid "    " and resid 111  and name HD1%)
      6.000     4.500     0.000 peak  3933 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.861 ppm2      0.348 CV     1
 OR { 3933}
   (( segid "    " and resid 67   and name HB2 ))
   (  segid "    " and resid 111  and name HD1%)
 ASSI { 3939}
   (( segid "    " and resid 134  and name HB1 ))
   (( segid "    " and resid 134  and name HB2 ))
      6.000     4.500     0.000 peak  3939 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.318 ppm2      1.762 CV     1
 ASSI { 3940}
   (( segid "    " and resid 134  and name HB1 ))
   (( segid "    " and resid 134  and name HA  ))
      6.000     4.500     0.000 peak  3940 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.313 ppm2      4.537 CV     1
 ASSI { 3942}
   (( segid "    " and resid 44   and name HG1 ))
   (( segid "    " and resid 44   and name HD1 ))
      6.000     4.500     0.000 peak  3942 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.193 ppm2      4.124 CV     1
 OR { 3942}
   (( segid "    " and resid 44   and name HG2 ))
   (( segid "    " and resid 44   and name HD1 ))
 ASSI { 3949}
   (( segid "    " and resid 98   and name HG11))
   (( segid "    " and resid 98   and name HG12))
      6.000     4.500     0.000 peak  3949 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.879 ppm2      0.987 CV     1
 ASSI { 3950}
   (( segid "    " and resid 98   and name HG11))
   (  segid "    " and resid 98   and name HG2%)
      6.000     4.500     0.000 peak  3950 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.880 ppm2      0.825 CV     1
 ASSI { 3951}
   (( segid "    " and resid 98   and name HG11))
   (( segid "    " and resid 98   and name HB  ))
      6.000     4.500     0.000 peak  3951 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.870 ppm2      2.139 CV     1
 ASSI { 3954}
   (( segid "    " and resid 134  and name HB2 ))
   (( segid "    " and resid 134  and name HB1 ))
      6.000     4.500     0.000 peak  3954 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.753 ppm2      2.314 CV     1
 OR { 3954}
   (( segid "    " and resid 134  and name HB2 ))
   (( segid "    " and resid 134  and name HG1 ))
 ASSI { 3958}
   (( segid "    " and resid 5    and name HG12))
   (  segid "    " and resid 5    and name HG2%)
      6.000     4.500     0.000 peak  3958 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.583 ppm2      0.850 CV     1
 OR { 3958}
   (( segid "    " and resid 5    and name HG11))
   (  segid "    " and resid 5    and name HG2%)
 ASSI { 3968}
   (( segid "    " and resid 146  and name HG11))
   (( segid "    " and resid 146  and name HG12))
      6.000     4.500     0.000 peak  3968 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.982 ppm2      1.597 CV     1
 ASSI { 3969}
   (( segid "    " and resid 98   and name HG12))
   (  segid "    " and resid 98   and name HG2%)
      6.000     4.500     0.000 peak  3969 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.984 ppm2      0.819 CV     1
 ASSI { 3970}
   (( segid "    " and resid 146  and name HG11))
   (  segid "    " and resid 146  and name HG2%)
      6.000     4.500     0.000 peak  3970 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.981 ppm2      0.756 CV     1
 ASSI { 3979}
   (( segid "    " and resid 79   and name HB1 ))
   (( segid "    " and resid 79   and name HB2 ))
      6.000     4.500     0.000 peak  3979 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.356 ppm2      2.304 CV     1
 ASSI { 3980}
   (( segid "    " and resid 79   and name HB2 ))
   (( segid "    " and resid 79   and name HG2 ))
      6.000     4.500     0.000 peak  3980 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.278 ppm2      2.580 CV     1
 ASSI { 3983}
   (( segid "    " and resid 127  and name HG2 ))
   (( segid "    " and resid 127  and name HD2 ))
      6.000     4.500     0.000 peak  3983 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.057 ppm2      3.228 CV     1
 ASSI { 3985}
   (( segid "    " and resid 127  and name HG2 ))
   (  segid "    " and resid 155  and name HD1%)
      6.000     4.500     0.000 peak  3985 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.057 ppm2      0.518 CV     1
 ASSI { 3986}
   (( segid "    " and resid 127  and name HG2 ))
   (( segid "    " and resid 127  and name HD1 ))
      6.000     4.500     0.000 peak  3986 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.054 ppm2      3.389 CV     1
 ASSI { 3987}
   (( segid "    " and resid 127  and name HG2 ))
   (( segid "    " and resid 126  and name HB1 ))
      6.000     4.500     0.000 peak  3987 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.049 ppm2      3.103 CV     1
 ASSI { 3988}
   (( segid "    " and resid 127  and name HG2 ))
   (( segid "    " and resid 127  and name HG1 ))
      6.000     4.500     0.000 peak  3988 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.055 ppm2      1.570 CV     1
 ASSI { 4014}
   (( segid "    " and resid 79   and name HB1 ))
   (( segid "    " and resid 76   and name HA  ))
      6.000     4.500     0.000 peak  4014 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.369 ppm2      3.593 CV     1
 ASSI { 4015}
   (( segid "    " and resid 79   and name HB1 ))
   (  segid "    " and resid 76   and name HG2%)
      6.000     4.500     0.000 peak  4015 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.369 ppm2      0.833 CV     1
 ASSI { 4016}
   (( segid "    " and resid 79   and name HB1 ))
   (( segid "    " and resid 79   and name HA  ))
      6.000     4.500     0.000 peak  4016 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.366 ppm2      4.187 CV     1
 ASSI { 4017}
   (( segid "    " and resid 79   and name HB1 ))
   (( segid "    " and resid 79   and name HG2 ))
      6.000     4.500     0.000 peak  4017 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.367 ppm2      2.574 CV     1
 ASSI { 4018}
   (( segid "    " and resid 79   and name HB2 ))
   (( segid "    " and resid 76   and name HA  ))
      6.000     4.500     0.000 peak  4018 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.278 ppm2      3.600 CV     1
 ASSI { 4020}
   (( segid "    " and resid 79   and name HB2 ))
   (( segid "    " and resid 79   and name HA  ))
      6.000     4.500     0.000 peak  4020 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.273 ppm2      4.193 CV     1
 ASSI { 4028}
   (( segid "    " and resid 14   and name HG2 ))
   (( segid "    " and resid 54   and name HB2 ))
      6.000     4.500     0.000 peak  4028 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.163 ppm2      0.954 CV     1
 ASSI { 4035}
   (( segid "    " and resid 127  and name HG2 ))
   (( segid "    " and resid 123  and name HA  ))
      6.000     4.500     0.000 peak  4035 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.057 ppm2      4.339 CV     1
 ASSI { 4038}
   (( segid "    " and resid 127  and name HG2 ))
   (( segid "    " and resid 123  and name HB1 ))
      6.000     4.500     0.000 peak  4038 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.054 ppm2      2.743 CV     1
 ASSI { 4044}
   (( segid "    " and resid 29   and name HG1 ))
   (  segid "    " and resid 28   and name HG2%)
      6.000     4.500     0.000 peak  4044 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.994 ppm2      0.608 CV     1
 ASSI { 4046}
   (( segid "    " and resid 29   and name HG1 ))
   (( segid "    " and resid 29   and name HD1 ))
      6.000     4.500     0.000 peak  4046 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.989 ppm2      3.668 CV     1
 ASSI { 4059}
   (( segid "    " and resid 144  and name HG1 ))
   (( segid "    " and resid 144  and name HD2 ))
      6.000     4.500     0.000 peak  4059 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.654 ppm2      3.243 CV     1
 ASSI { 4060}
   (( segid "    " and resid 144  and name HG1 ))
   (( segid "    " and resid 144  and name HA  ))
      6.000     4.500     0.000 peak  4060 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.632 ppm2      3.524 CV     1
 ASSI { 4063}
   (( segid "    " and resid 41   and name HG2 ))
   (( segid "    " and resid 41   and name HG1 ))
      6.000     4.500     0.000 peak  4063 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.606 ppm2      1.321 CV     1
 ASSI { 4064}
   (( segid "    " and resid 144  and name HG2 ))
   (( segid "    " and resid 144  and name HA  ))
      6.000     4.500     0.000 peak  4064 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.579 ppm2      3.525 CV     1
 ASSI { 4072}
   (( segid "    " and resid 14   and name HG1 ))
   (( segid "    " and resid 14   and name HD1 ))
      6.000     4.500     0.000 peak  4072 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.459 ppm2      3.603 CV     1
 ASSI { 4073}
   (( segid "    " and resid 14   and name HG1 ))
   (( segid "    " and resid 14   and name HG2 ))
      6.000     4.500     0.000 peak  4073 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.455 ppm2      2.175 CV     1
 ASSI { 4081}
   (  segid "    " and resid 60   and name HD1%)
   (( segid "    " and resid 31   and name HB1 ))
      6.000     4.500     0.000 peak  4081 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.743 ppm2      3.595 CV     1
 OR { 4081}
   (  segid "    " and resid 60   and name HD1%)
   (( segid "    " and resid 31   and name HB2 ))
 ASSI { 4100}
   (( segid "    " and resid 126  and name HB1 ))
   (( segid "    " and resid 127  and name HD1 ))
      6.000     4.500     0.000 peak  4100 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.121 ppm2      3.394 CV     1
 ASSI { 4102}
   (( segid "    " and resid 126  and name HB1 ))
   (( segid "    " and resid 126  and name HB2 ))
      6.000     4.500     0.000 peak  4102 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.117 ppm2      2.962 CV     1
 ASSI { 4103}
   (( segid "    " and resid 126  and name HB1 ))
   (  segid "    " and resid 155  and name HD1%)
      6.000     4.500     0.000 peak  4103 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.119 ppm2      0.504 CV     1
 OR { 4103}
   (( segid "    " and resid 126  and name HB1 ))
   (  segid "    " and resid 155  and name HD2%)
 ASSI { 4109}
   (( segid "    " and resid 126  and name HB2 ))
   (  segid "    " and resid 155  and name HD1%)
      6.000     4.500     0.000 peak  4109 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.966 ppm2      0.504 CV     1
 OR { 4109}
   (( segid "    " and resid 126  and name HB2 ))
   (  segid "    " and resid 155  and name HD2%)
 ASSI { 4110}
   (( segid "    " and resid 80   and name HB2 ))
   (  segid "    " and resid 76   and name HG2%)
      6.000     4.500     0.000 peak  4110 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.880 ppm2      0.833 CV     1
 ASSI { 4114}
   (( segid "    " and resid 80   and name HB2 ))
   (( segid "    " and resid 80   and name HB1 ))
      6.000     4.500     0.000 peak  4114 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.873 ppm2      1.786 CV     1
 ASSI { 4118}
   (( segid "    " and resid 14   and name HG2 ))
   (( segid "    " and resid 14   and name HA  ))
      6.000     4.500     0.000 peak  4118 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.182 ppm2      4.328 CV     1
 ASSI { 4125}
   (( segid "    " and resid 74   and name HB2 ))
   (( segid "    " and resid 74   and name HB1 ))
      6.000     4.500     0.000 peak  4125 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.922 ppm2      2.249 CV     1
 ASSI { 4131}
   (( segid "    " and resid 80   and name HB1 ))
   (( segid "    " and resid 77   and name HA  ))
      6.000     4.500     0.000 peak  4131 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.798 ppm2      3.742 CV     1
 ASSI { 4132}
   (( segid "    " and resid 133  and name HG1 ))
   (( segid "    " and resid 133  and name HD1 ))
      6.000     4.500     0.000 peak  4132 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.800 ppm2      3.432 CV     1
 OR { 4132}
   (( segid "    " and resid 133  and name HG2 ))
   (( segid "    " and resid 133  and name HD1 ))
 ASSI { 4137}
   (( segid "    " and resid 80   and name HB1 ))
   (  segid "    " and resid 76   and name HG2%)
      6.000     4.500     0.000 peak  4137 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.797 ppm2      0.832 CV     1
 ASSI { 4140}
   (( segid "    " and resid 133  and name HG1 ))
   (( segid "    " and resid 133  and name HB1 ))
      6.000     4.500     0.000 peak  4140 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.793 ppm2      1.490 CV     1
 OR { 4140}
   (( segid "    " and resid 133  and name HG2 ))
   (( segid "    " and resid 133  and name HB1 ))
 ASSI { 4141}
   (( segid "    " and resid 150  and name HG1 ))
   (( segid "    " and resid 150  and name HD2 ))
      6.000     4.500     0.000 peak  4141 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.514 ppm2      2.964 CV     1
 ASSI { 4161}
   (  segid "    " and resid 60   and name HD1%)
   (( segid "    " and resid 60   and name HB1 ))
      6.000     4.500     0.000 peak  4161 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.742 ppm2      1.847 CV     1
 ASSI { 4162}
   (  segid "    " and resid 60   and name HD1%)
   (( segid "    " and resid 60   and name HG  ))
      6.000     4.500     0.000 peak  4162 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.744 ppm2      1.292 CV     1
 ASSI { 4163}
   (  segid "    " and resid 60   and name HD1%)
   (  segid "    " and resid 69   and name HD1%)
      6.000     4.500     0.000 peak  4163 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.742 ppm2      1.006 CV     1
 ASSI { 4169}
   (( segid "    " and resid 119  and name HG2 ))
   (( segid "    " and resid 119  and name HA  ))
      6.000     4.500     0.000 peak  4169 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.539 ppm2      3.808 CV     1
 ASSI { 4171}
   (( segid "    " and resid 119  and name HG2 ))
   (( segid "    " and resid 119  and name HG1 ))
      6.000     4.500     0.000 peak  4171 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.534 ppm2      1.292 CV     1
 ASSI { 4173}
   (( segid "    " and resid 30   and name HB1 ))
   (( segid "    " and resid 64   and name HB1 ))
      6.000     4.500     0.000 peak  4173 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.424 ppm2      1.506 CV     1
 ASSI { 4177}
   (( segid "    " and resid 30   and name HB1 ))
   (( segid "    " and resid 30   and name HB2 ))
      6.000     4.500     0.000 peak  4177 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.415 ppm2      2.011 CV     1
 ASSI { 4178}
   (( segid "    " and resid 30   and name HB1 ))
   (( segid "    " and resid 64   and name HG  ))
      6.000     4.500     0.000 peak  4178 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.416 ppm2      0.762 CV     1
 ASSI { 4181}
   (( segid "    " and resid 17   and name HB2 ))
   (  segid "    " and resid 18   and name HG1%)
      6.000     4.500     0.000 peak  4181 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.154 ppm2      0.652 CV     1
 OR { 4181}
   (( segid "    " and resid 17   and name HB1 ))
   (  segid "    " and resid 18   and name HG1%)
 ASSI { 4184}
   (( segid "    " and resid 29   and name HG2 ))
   (( segid "    " and resid 72   and name HB1 ))
      6.000     4.500     0.000 peak  4184 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.065 ppm2      3.484 CV     1
 ASSI { 4185}
   (( segid "    " and resid 25   and name HG  ))
   (  segid "    " and resid 25   and name HD1%)
      6.000     4.500     0.000 peak  4185 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.982 ppm2      0.831 CV     1
 OR { 4185}
   (( segid "    " and resid 25   and name HG  ))
   (  segid "    " and resid 25   and name HD2%)
 ASSI { 4186}
   (( segid "    " and resid 22   and name HG  ))
   (  segid "    " and resid 22   and name HD1%)
      6.000     4.500     0.000 peak  4186 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.906 ppm2      1.139 CV     1
 ASSI { 4188}
   (( segid "    " and resid 150  and name HG1 ))
   (( segid "    " and resid 150  and name HA  ))
      6.000     4.500     0.000 peak  4188 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.513 ppm2      4.030 CV     1
 ASSI { 4189}
   (( segid "    " and resid 150  and name HG1 ))
   (( segid "    " and resid 150  and name HD1 ))
      6.000     4.500     0.000 peak  4189 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.514 ppm2      3.115 CV     1
 ASSI { 4196}
   (( segid "    " and resid 150  and name HG2 ))
   (( segid "    " and resid 150  and name HB2 ))
      6.000     4.500     0.000 peak  4196 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.451 ppm2      1.270 CV     1
 ASSI { 4198}
   (( segid "    " and resid 150  and name HG2 ))
   (( segid "    " and resid 150  and name HB1 ))
      6.000     4.500     0.000 peak  4198 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.435 ppm2      0.933 CV     1
 ASSI { 4200}
   (( segid "    " and resid 82   and name HG1 ))
   (( segid "    " and resid 82   and name HG2 ))
      6.000     4.500     0.000 peak  4200 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.420 ppm2      1.788 CV     1
 ASSI { 4206}
   (( segid "    " and resid 119  and name HG1 ))
   (( segid "    " and resid 124  and name HB2 ))
      6.000     6.000     0.000 peak  4206 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.318 ppm2      2.172 CV     1
 OR { 4206}
   (( segid "    " and resid 119  and name HG1 ))
   (( segid "    " and resid 124  and name HB1 ))
 ASSI { 4208}
   (( segid "    " and resid 119  and name HG1 ))
   (  segid "    " and resid 146  and name HG2%)
      6.000     4.500     0.000 peak  4208 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.301 ppm2      0.736 CV     1
 ASSI { 4231}
   (( segid "    " and resid 89   and name HB2 ))
   (( segid "    " and resid 47   and name HG2 ))
      6.000     4.500     0.000 peak  4231 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.578 ppm2      2.100 CV     1
 OR { 4231}
   (( segid "    " and resid 89   and name HB1 ))
   (( segid "    " and resid 47   and name HG2 ))
 ASSI { 4233}
   (( segid "    " and resid 25   and name HG  ))
   (( segid "    " and resid 23   and name HA  ))
      6.000     4.500     0.000 peak  4233 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.000 ppm2      4.042 CV     1
 ASSI { 4236}
   (( segid "    " and resid 75   and name HG1 ))
   (( segid "    " and resid 75   and name HA  ))
      6.000     4.500     0.000 peak  4236 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.708 ppm2      4.147 CV     1
 ASSI { 4238}
   (( segid "    " and resid 75   and name HG1 ))
   (( segid "    " and resid 75   and name HB1 ))
      6.000     4.500     0.000 peak  4238 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.701 ppm2      2.336 CV     1
 ASSI { 4239}
   (( segid "    " and resid 96   and name HG  ))
   (  segid "    " and resid 96   and name HD2%)
      6.000     4.500     0.000 peak  4239 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.630 ppm2      1.137 CV     1
 OR { 4239}
   (( segid "    " and resid 96   and name HG  ))
   (  segid "    " and resid 96   and name HD1%)
 ASSI { 4241}
   (( segid "    " and resid 75   and name HG2 ))
   (( segid "    " and resid 79   and name HG2 ))
      6.000     4.500     0.000 peak  4241 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.606 ppm2      2.591 CV     1
 ASSI { 4244}
   (( segid "    " and resid 75   and name HG2 ))
   (( segid "    " and resid 75   and name HD2 ))
      6.000     4.500     0.000 peak  4244 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.585 ppm2      3.171 CV     1
 ASSI { 4251}
   (( segid "    " and resid 15   and name HG  ))
   (( segid "    " and resid 15   and name HB1 ))
      6.000     4.500     0.000 peak  4251 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.521 ppm2      1.703 CV     1
 ASSI { 4252}
   (( segid "    " and resid 15   and name HG  ))
   (( segid "    " and resid 19   and name HB2 ))
      6.000     4.500     0.000 peak  4252 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.503 ppm2      2.860 CV     1
 ASSI { 4253}
   (( segid "    " and resid 15   and name HG  ))
   (( segid "    " and resid 16   and name HG2 ))
      6.000     4.500     0.000 peak  4253 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.502 ppm2      2.406 CV     1
 ASSI { 4254}
   (( segid "    " and resid 15   and name HG  ))
   (  segid "    " and resid 15   and name HD1%)
      6.000     4.500     0.000 peak  4254 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.507 ppm2      1.022 CV     1
 OR { 4254}
   (( segid "    " and resid 15   and name HG  ))
   (  segid "    " and resid 15   and name HD2%)
 ASSI { 4259}
   (( segid "    " and resid 82   and name HG1 ))
   (( segid "    " and resid 77   and name HB1 ))
      6.000     4.500     0.000 peak  4259 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.399 ppm2      2.567 CV     1
 ASSI { 4260}
   (( segid "    " and resid 92   and name HG2 ))
   (( segid "    " and resid 48   and name HB1 ))
      6.000     4.500     0.000 peak  4260 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.382 ppm2      2.043 CV     1
 ASSI { 4272}
   (  segid "    " and resid 96   and name HD1%)
   (( segid "    " and resid 73   and name HA  ))
      6.000     4.500     0.000 peak  4272 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.141 ppm2      4.306 CV     1
 OR { 4272}
   (  segid "    " and resid 96   and name HD2%)
   (( segid "    " and resid 73   and name HA  ))
 ASSI { 4273}
   (  segid "    " and resid 96   and name HD2%)
   (( segid "    " and resid 21   and name HA  ))
      6.000     4.500     0.000 peak  4273 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.138 ppm2      4.138 CV     1
 OR { 4273}
   (  segid "    " and resid 96   and name HD1%)
   (( segid "    " and resid 21   and name HA  ))
 ASSI { 4274}
   (  segid "    " and resid 96   and name HD1%)
   (( segid "    " and resid 73   and name HB  ))
      6.000     4.500     0.000 peak  4274 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.143 ppm2      3.958 CV     1
 ASSI { 4275}
   (  segid "    " and resid 96   and name HD2%)
   (( segid "    " and resid 96   and name HB1 ))
      6.000     4.500     0.000 peak  4275 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.142 ppm2      0.993 CV     1
 OR { 4275}
   (  segid "    " and resid 96   and name HD1%)
   (( segid "    " and resid 96   and name HB1 ))
 ASSI { 4277}
   (( segid "    " and resid 111  and name HG  ))
   (( segid "    " and resid 67   and name HB1 ))
      6.000     4.500     0.000 peak  4277 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.070 ppm2      1.891 CV     1
 OR { 4277}
   (( segid "    " and resid 111  and name HG  ))
   (( segid "    " and resid 67   and name HB2 ))
 ASSI { 4279}
   (( segid "    " and resid 111  and name HG  ))
   (  segid "    " and resid 111  and name HD2%)
      6.000     4.500     0.000 peak  4279 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.054 ppm2      0.363 CV     1
 ASSI { 4281}
   (  segid "    " and resid 69   and name HD1%)
   (( segid "    " and resid 69   and name HA  ))
      6.000     4.500     0.000 peak  4281 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.023 ppm2      4.193 CV     1
 ASSI { 4283}
   (  segid "    " and resid 69   and name HD1%)
   (( segid "    " and resid 69   and name HG  ))
      6.000     4.500     0.000 peak  4283 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.017 ppm2      1.616 CV     1
 ASSI { 4289}
   (( segid "    " and resid 147  and name HG  ))
   (( segid "    " and resid 125  and name HG  ))
      6.000     4.500     0.000 peak  4289 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.874 ppm2      0.310 CV     1
 ASSI { 4290}
   (( segid "    " and resid 147  and name HG  ))
   (  segid "    " and resid 147  and name HD1%)
      6.000     4.500     0.000 peak  4290 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.870 ppm2     -0.460 CV     1
 ASSI { 4296}
   (  segid "    " and resid 64   and name HD2%)
   (( segid "    " and resid 64   and name HB2 ))
      6.000     4.500     0.000 peak  4296 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.710 ppm2      1.745 CV     1
 OR { 4296}
   (  segid "    " and resid 64   and name HD1%)
   (( segid "    " and resid 64   and name HB2 ))
 ASSI { 4297}
   (  segid "    " and resid 64   and name HD1%)
   (( segid "    " and resid 64   and name HB1 ))
      6.000     4.500     0.000 peak  4297 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.708 ppm2      1.494 CV     1
 OR { 4297}
   (  segid "    " and resid 64   and name HD2%)
   (( segid "    " and resid 64   and name HB1 ))
 ASSI { 4298}
   (  segid "    " and resid 64   and name HD1%)
   (  segid "    " and resid 69   and name HD2%)
      6.000     4.500     0.000 peak  4298 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.704 ppm2      0.955 CV     1
 OR { 4298}
   (  segid "    " and resid 64   and name HD2%)
   (  segid "    " and resid 69   and name HD2%)
 ASSI { 4303}
   (  segid "    " and resid 70   and name HD1%)
   (( segid "    " and resid 98   and name HG11))
      6.000     4.500     0.000 peak  4303 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.496 ppm2      1.865 CV     1
 ASSI { 4313}
   (( segid "    " and resid 125  and name HG  ))
   (  segid "    " and resid 146  and name HG2%)
      6.000     4.500     0.000 peak  4313 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.326 ppm2      0.749 CV     1
 ASSI { 4314}
   (( segid "    " and resid 125  and name HG  ))
   (  segid "    " and resid 125  and name HD1%)
      6.000     4.500     0.000 peak  4314 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.326 ppm2      0.475 CV     1
 OR { 4314}
   (( segid "    " and resid 125  and name HG  ))
   (  segid "    " and resid 125  and name HD2%)
 ASSI { 4318}
   (( segid "    " and resid 125  and name HG  ))
   (  segid "    " and resid 147  and name HD2%)
      6.000     4.500     0.000 peak  4318 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.325 ppm2     -0.572 CV     1
 ASSI { 4322}
   (( segid "    " and resid 114  and name HG1 ))
   (( segid "    " and resid 138  and name HD1 ))
      6.000     4.500     0.000 peak  4322 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.476 ppm2      4.028 CV     1
 OR { 4322}
   (( segid "    " and resid 114  and name HG1 ))
   (( segid "    " and resid 138  and name HD2 ))
 ASSI { 4326}
   (( segid "    " and resid 114  and name HG1 ))
   (( segid "    " and resid 114  and name HG2 ))
      6.000     4.500     0.000 peak  4326 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.478 ppm2      1.995 CV     1
 ASSI { 4327}
   (( segid "    " and resid 114  and name HG1 ))
   (  segid "    " and resid 100  and name HD2%)
      6.000     4.500     0.000 peak  4327 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.478 ppm2      1.064 CV     1
 ASSI { 4328}
   (( segid "    " and resid 114  and name HG2 ))
   (( segid "    " and resid 114  and name HD1 ))
      6.000     4.500     0.000 peak  4328 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.998 ppm2      4.176 CV     1
 ASSI { 4329}
   (( segid "    " and resid 114  and name HG2 ))
   (( segid "    " and resid 114  and name HB2 ))
      6.000     4.500     0.000 peak  4329 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.999 ppm2      2.860 CV     1
 ASSI { 4330}
   (( segid "    " and resid 114  and name HG2 ))
   (  segid "    " and resid 100  and name HD2%)
      6.000     4.500     0.000 peak  4330 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.992 ppm2      1.062 CV     1
 ASSI { 4331}
   (( segid "    " and resid 66   and name HG2 ))
   (( segid "    " and resid 66   and name HB2 ))
      6.000     4.500     0.000 peak  4331 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.746 ppm2      1.276 CV     1
 ASSI { 4335}
   (( segid "    " and resid 66   and name HG2 ))
   (( segid "    " and resid 66   and name HG1 ))
      6.000     4.500     0.000 peak  4335 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.742 ppm2      0.787 CV     1
 ASSI { 4351}
   (  segid "    " and resid 22   and name HD1%)
   (  segid "    " and resid 36   and name HG2%)
      6.000     4.500     0.000 peak  4351 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.138 ppm2      1.394 CV     1
 ASSI { 4362}
   (( segid "    " and resid 147  and name HG  ))
   (  segid "    " and resid 147  and name HD2%)
      6.000     4.500     0.000 peak  4362 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.874 ppm2     -0.563 CV     1
 ASSI { 4381}
   (  segid "    " and resid 128  and name HD2%)
   (( segid "    " and resid 100  and name HB2 ))
      6.000     4.500     0.000 peak  4381 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.590 ppm2      1.998 CV     1
 OR { 4381}
   (  segid "    " and resid 128  and name HD1%)
   (( segid "    " and resid 100  and name HB2 ))
 ASSI { 4382}
   (  segid "    " and resid 128  and name HD2%)
   (( segid "    " and resid 100  and name HB1 ))
      6.000     4.500     0.000 peak  4382 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.589 ppm2      1.812 CV     1
 OR { 4382}
   (  segid "    " and resid 128  and name HD1%)
   (( segid "    " and resid 100  and name HB1 ))
 ASSI { 4384}
   (  segid "    " and resid 128  and name HD2%)
   (( segid "    " and resid 143  and name HG  ))
      6.000     4.500     0.000 peak  4384 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.589 ppm2      0.967 CV     1
 OR { 4384}
   (  segid "    " and resid 128  and name HD1%)
   (( segid "    " and resid 143  and name HG  ))
 ASSI { 4385}
   (  segid "    " and resid 128  and name HD1%)
   (  segid "    " and resid 131  and name HG2%)
      6.000     4.500     0.000 peak  4385 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.589 ppm2      0.841 CV     1
 OR { 4385}
   (  segid "    " and resid 128  and name HD2%)
   (  segid "    " and resid 131  and name HG2%)
 ASSI { 4387}
   (  segid "    " and resid 128  and name HD2%)
   (( segid "    " and resid 128  and name HG  ))
      6.000     4.500     0.000 peak  4387 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.591 ppm2      0.322 CV     1
 OR { 4387}
   (  segid "    " and resid 128  and name HD1%)
   (( segid "    " and resid 128  and name HG  ))
 ASSI { 4392}
   (  segid "    " and resid 155  and name HD1%)
   (( segid "    " and resid 126  and name HB1 ))
      6.000     4.500     0.000 peak  4392 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.501 ppm2      3.113 CV     1
 ASSI { 4395}
   (  segid "    " and resid 155  and name HD1%)
   (( segid "    " and resid 155  and name HB1 ))
      6.000     4.500     0.000 peak  4395 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.501 ppm2      1.424 CV     1
 OR { 4395}
   (  segid "    " and resid 155  and name HD1%)
   (( segid "    " and resid 155  and name HB2 ))
 OR { 4395}
   (  segid "    " and resid 155  and name HD2%)
   (( segid "    " and resid 155  and name HB1 ))
 OR { 4395}
   (  segid "    " and resid 155  and name HD2%)
   (( segid "    " and resid 155  and name HB2 ))
 ASSI { 4407}
   (( segid "    " and resid 157  and name HG2 ))
   (( segid "    " and resid 157  and name HE1 ))
      6.000     4.500     0.000 peak  4407 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.303 ppm2      2.983 CV     1
 OR { 4407}
   (( segid "    " and resid 157  and name HG2 ))
   (( segid "    " and resid 157  and name HE2 ))
 ASSI { 4409}
   (( segid "    " and resid 157  and name HG2 ))
   (( segid "    " and resid 157  and name HG1 ))
      6.000     4.500     0.000 peak  4409 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.297 ppm2      1.644 CV     1
 ASSI { 4417}
   (( segid "    " and resid 125  and name HG  ))
   (( segid "    " and resid 118  and name HG1 ))
      6.000     4.500     0.000 peak  4417 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.324 ppm2      3.359 CV     1
 OR { 4417}
   (( segid "    " and resid 125  and name HG  ))
   (( segid "    " and resid 118  and name HG2 ))
 ASSI { 4422}
   (  segid "    " and resid 135  and name HD1%)
   (( segid "    " and resid 135  and name HA  ))
      6.000     4.500     0.000 peak  4422 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.379 ppm2      3.851 CV     1
 ASSI { 4423}
   (  segid "    " and resid 135  and name HD1%)
   (( segid "    " and resid 135  and name HG  ))
      6.000     4.500     0.000 peak  4423 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.380 ppm2      1.274 CV     1
 ASSI { 4426}
   (  segid "    " and resid 135  and name HD1%)
   (  segid "    " and resid 135  and name HD2%)
      6.000     4.500     0.000 peak  4426 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.380 ppm2      0.116 CV     1
 ASSI { 4427}
   (  segid "    " and resid 111  and name HD1%)
   (( segid "    " and resid 111  and name HA  ))
      6.000     4.500     0.000 peak  4427 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.327 ppm2      3.914 CV     1
 ASSI { 4428}
   (  segid "    " and resid 111  and name HD1%)
   (( segid "    " and resid 98   and name HB  ))
      6.000     4.500     0.000 peak  4428 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.326 ppm2      2.139 CV     1
 ASSI { 4431}
   (  segid "    " and resid 111  and name HD1%)
   (  segid "    " and resid 106  and name HD1%)
      6.000     6.000     0.000 peak  4431 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.329 ppm2      0.631 CV     1
 ASSI { 4441}
   (  segid "    " and resid 135  and name HD2%)
   (  segid "    " and resid 100  and name HD1%)
      6.000     4.500     0.000 peak  4441 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.112 ppm2      0.666 CV     1
 ASSI { 4458}
   (( segid "    " and resid 131  and name HG12))
   (  segid "    " and resid 131  and name HD1%)
      6.000     4.500     0.000 peak  4458 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.658 ppm2      0.866 CV     1
 OR { 4458}
   (( segid "    " and resid 131  and name HG11))
   (  segid "    " and resid 131  and name HD1%)
 OR { 4458}
   (( segid "    " and resid 131  and name HG12))
   (  segid "    " and resid 131  and name HG2%)
 OR { 4458}
   (( segid "    " and resid 131  and name HG11))
   (  segid "    " and resid 131  and name HG2%)
 ASSI { 4459}
   (( segid "    " and resid 131  and name HG12))
   (( segid "    " and resid 128  and name HG  ))
      6.000     4.500     0.000 peak  4459 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.662 ppm2      0.303 CV     1
 OR { 4459}
   (( segid "    " and resid 131  and name HG11))
   (( segid "    " and resid 128  and name HG  ))
 ASSI { 4460}
   (( segid "    " and resid 131  and name HG12))
   (( segid "    " and resid 128  and name HA  ))
      6.000     4.500     0.000 peak  4460 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.646 ppm2      3.866 CV     1
 OR { 4460}
   (( segid "    " and resid 131  and name HG11))
   (( segid "    " and resid 128  and name HA  ))
 ASSI { 4461}
   (( segid "    " and resid 23   and name HG2 ))
   (( segid "    " and resid 20   and name HA  ))
      6.000     4.500     0.000 peak  4461 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.564 ppm2      4.164 CV     1
 ASSI { 4464}
   (( segid "    " and resid 23   and name HG2 ))
   (( segid "    " and resid 23   and name HG1 ))
      6.000     4.500     0.000 peak  4464 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.566 ppm2      1.457 CV     1
 OR { 4464}
   (( segid "    " and resid 23   and name HG2 ))
   (( segid "    " and resid 23   and name HD2 ))
 ASSI { 4487}
   (( segid "    " and resid 154  and name HG2 ))
   (( segid "    " and resid 154  and name HG1 ))
      6.000     4.500     0.000 peak  4487 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.195 ppm2      0.738 CV     1
 ASSI { 4493}
   (( segid "    " and resid 143  and name HG  ))
   (( segid "    " and resid 125  and name HA  ))
      6.000     4.500     0.000 peak  4493 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.967 ppm2      3.835 CV     1
 ASSI { 4495}
   (( segid "    " and resid 143  and name HG  ))
   (( segid "    " and resid 133  and name HB1 ))
      6.000     4.500     0.000 peak  4495 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.966 ppm2      1.526 CV     1
 ASSI { 4496}
   (( segid "    " and resid 143  and name HG  ))
   (( segid "    " and resid 143  and name HB1 ))
      6.000     4.500     0.000 peak  4496 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.968 ppm2      1.345 CV     1
 ASSI { 4500}
   (( segid "    " and resid 143  and name HG  ))
   (  segid "    " and resid 147  and name HD1%)
      6.000     4.500     0.000 peak  4500 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.966 ppm2     -0.459 CV     1
 ASSI { 4518}
   (  segid "    " and resid 54   and name HD1%)
   (( segid "    " and resid 158  and name HB2 ))
      6.000     4.500     0.000 peak  4518 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1     -0.631 ppm2      3.075 CV     1
 OR { 4518}
   (  segid "    " and resid 54   and name HD2%)
   (( segid "    " and resid 158  and name HB2 ))
 ASSI { 4521}
   (  segid "    " and resid 54   and name HD1%)
   (( segid "    " and resid 41   and name HB2 ))
      6.000     4.500     0.000 peak  4521 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1     -0.634 ppm2      1.717 CV     1
 OR { 4521}
   (  segid "    " and resid 54   and name HD1%)
   (( segid "    " and resid 41   and name HB1 ))
 ASSI { 4523}
   (  segid "    " and resid 54   and name HD2%)
   (( segid "    " and resid 15   and name HG  ))
      6.000     4.500     0.000 peak  4523 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1     -0.633 ppm2      1.510 CV     1
 OR { 4523}
   (  segid "    " and resid 54   and name HD1%)
   (( segid "    " and resid 15   and name HG  ))
 ASSI { 4527}
   (  segid "    " and resid 54   and name HD2%)
   (  segid "    " and resid 18   and name HG1%)
      6.000     4.500     0.000 peak  4527 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1     -0.632 ppm2      0.638 CV     1
 ASSI { 4542}
   (( segid "    " and resid 131  and name HG11))
   (( segid "    " and resid 58   and name HB  ))
      6.000     4.500     0.000 peak  4542 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.644 ppm2      2.000 CV     1
 OR { 4542}
   (( segid "    " and resid 131  and name HG12))
   (( segid "    " and resid 58   and name HB  ))
 ASSI { 4547}
   (( segid "    " and resid 23   and name HG1 ))
   (( segid "    " and resid 20   and name HA  ))
      6.000     4.500     0.000 peak  4547 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.455 ppm2      4.169 CV     1
 ASSI { 4548}
   (( segid "    " and resid 23   and name HG1 ))
   (( segid "    " and resid 23   and name HA  ))
      6.000     4.500     0.000 peak  4548 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.454 ppm2      4.005 CV     1
 ASSI { 4550}
   (( segid "    " and resid 23   and name HG1 ))
   (( segid "    " and resid 23   and name HD1 ))
      6.000     4.500     0.000 peak  4550 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.445 ppm2      1.702 CV     1
 ASSI { 4551}
   (( segid "    " and resid 23   and name HG1 ))
   (( segid "    " and resid 23   and name HG2 ))
      6.000     4.500     0.000 peak  4551 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.454 ppm2      1.558 CV     1
 ASSI { 4552}
   (( segid "    " and resid 85   and name HG2 ))
   (( segid "    " and resid 85   and name HE1 ))
      6.000     4.500     0.000 peak  4552 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.437 ppm2      2.998 CV     1
 OR { 4552}
   (( segid "    " and resid 85   and name HG2 ))
   (( segid "    " and resid 85   and name HE2 ))
 OR { 4552}
   (( segid "    " and resid 85   and name HG1 ))
   (( segid "    " and resid 85   and name HE1 ))
 OR { 4552}
   (( segid "    " and resid 85   and name HG1 ))
   (( segid "    " and resid 85   and name HE2 ))
 ASSI { 4576}
   (  segid "    " and resid 100  and name HD2%)
   (( segid "    " and resid 100  and name HG  ))
      6.000     4.500     0.000 peak  4576 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.076 ppm2      1.613 CV     1
 ASSI { 4580}
   (  segid "    " and resid 100  and name HD2%)
   (  segid "    " and resid 100  and name HD1%)
      6.000     4.500     0.000 peak  4580 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.076 ppm2      0.668 CV     1
 ASSI { 4581}
   (  segid "    " and resid 100  and name HD2%)
   (  segid "    " and resid 146  and name HD1%)
      6.000     6.000     0.000 peak  4581 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.075 ppm2      0.516 CV     1
 ASSI { 4582}
   (  segid "    " and resid 100  and name HD2%)
   (  segid "    " and resid 135  and name HD1%)
      6.000     4.500     0.000 peak  4582 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.075 ppm2      0.368 CV     1
 ASSI { 4583}
   (  segid "    " and resid 100  and name HD2%)
   (  segid "    " and resid 135  and name HD2%)
      6.000     4.500     0.000 peak  4583 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.075 ppm2      0.119 CV     1
 ASSI { 4592}
   (( segid "    " and resid 143  and name HG  ))
   (  segid "    " and resid 128  and name HD2%)
      6.000     4.500     0.000 peak  4592 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.978 ppm2      0.617 CV     1
 ASSI { 4593}
   (( segid "    " and resid 121  and name HG1 ))
   (( segid "    " and resid 121  and name HB1 ))
      6.000     4.500     0.000 peak  4593 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.733 ppm2     -0.637 CV     1
 ASSI { 4594}
   (  segid "    " and resid 147  and name HD1%)
   (( segid "    " and resid 147  and name HA  ))
      6.000     4.500     0.000 peak  4594 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1     -0.454 ppm2      3.663 CV     1
 ASSI { 4595}
   (  segid "    " and resid 147  and name HD1%)
   (  segid "    " and resid 125  and name HD1%)
      6.000     4.500     0.000 peak  4595 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1     -0.454 ppm2      0.473 CV     1
 OR { 4595}
   (  segid "    " and resid 147  and name HD1%)
   (  segid "    " and resid 125  and name HD2%)
 ASSI { 4601}
   (  segid "    " and resid 147  and name HD1%)
   (( segid "    " and resid 150  and name HG1 ))
      6.000     4.500     0.000 peak  4601 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1     -0.462 ppm2      1.513 CV     1
 ASSI { 4602}
   (  segid "    " and resid 147  and name HD1%)
   (  segid "    " and resid 151  and name HB% )
      6.000     4.500     0.000 peak  4602 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1     -0.462 ppm2      1.232 CV     1
 ASSI { 4605}
   (  segid "    " and resid 147  and name HD1%)
   (( segid "    " and resid 147  and name HB1 ))
      6.000     4.500     0.000 peak  4605 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1     -0.459 ppm2      0.651 CV     1
 ASSI { 4606}
   (  segid "    " and resid 25   and name HD2%)
   (( segid "    " and resid 25   and name HA  ))
      6.000     4.500     0.000 peak  4606 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.850 ppm2      3.903 CV     1
 OR { 4606}
   (  segid "    " and resid 25   and name HD1%)
   (( segid "    " and resid 25   and name HA  ))
 ASSI { 4615}
   (  segid "    " and resid 22   and name HD2%)
   (( segid "    " and resid 18   and name HA  ))
      6.000     4.500     0.000 peak  4615 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.905 ppm2      3.422 CV     1
 ASSI { 4619}
   (  segid "    " and resid 22   and name HD2%)
   (( segid "    " and resid 22   and name HB2 ))
      6.000     4.500     0.000 peak  4619 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.902 ppm2      1.487 CV     1
 ASSI { 4621}
   (  segid "    " and resid 22   and name HD2%)
   (  segid "    " and resid 58   and name HG1%)
      6.000     4.500     0.000 peak  4621 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.899 ppm2      1.025 CV     1
 OR { 4621}
   (  segid "    " and resid 22   and name HD2%)
   (  segid "    " and resid 58   and name HG2%)
 ASSI { 4626}
   (  segid "    " and resid 25   and name HD1%)
   (( segid "    " and resid 22   and name HB1 ))
      6.000     4.500     0.000 peak  4626 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.863 ppm2      2.046 CV     1
 ASSI { 4630}
   (  segid "    " and resid 25   and name HD2%)
   (  segid "    " and resid 96   and name HD1%)
      6.000     4.500     0.000 peak  4630 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.866 ppm2      1.131 CV     1
 OR { 4630}
   (  segid "    " and resid 25   and name HD2%)
   (  segid "    " and resid 96   and name HD2%)
 OR { 4630}
   (  segid "    " and resid 25   and name HD1%)
   (  segid "    " and resid 96   and name HD1%)
 OR { 4630}
   (  segid "    " and resid 25   and name HD1%)
   (  segid "    " and resid 96   and name HD2%)
 ASSI { 4633}
   (  segid "    " and resid 111  and name HD2%)
   (( segid "    " and resid 67   and name HA  ))
      6.000     4.500     0.000 peak  4633 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.383 ppm2      3.662 CV     1
 ASSI { 4634}
   (  segid "    " and resid 111  and name HD2%)
   (( segid "    " and resid 98   and name HB  ))
      6.000     4.500     0.000 peak  4634 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.381 ppm2      2.129 CV     1
 ASSI { 4636}
   (  segid "    " and resid 111  and name HD2%)
   (( segid "    " and resid 111  and name HB2 ))
      6.000     4.500     0.000 peak  4636 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.382 ppm2      1.336 CV     1
 ASSI { 4637}
   (  segid "    " and resid 111  and name HD2%)
   (( segid "    " and resid 70   and name HB1 ))
      6.000     4.500     0.000 peak  4637 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.382 ppm2      1.020 CV     1
 ASSI { 4644}
   (  segid "    " and resid 42   and name HG2%)
   (  segid "    " and resid 155  and name HD2%)
      6.000     4.500     0.000 peak  4644 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.448 ppm2      0.510 CV     1
 OR { 4644}
   (  segid "    " and resid 42   and name HG2%)
   (  segid "    " and resid 155  and name HD1%)
 ASSI { 4649}
   (  segid "    " and resid 56   and name HB% )
   (( segid "    " and resid 127  and name HB2 ))
      6.000     4.500     0.000 peak  4649 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.431 ppm2      1.921 CV     1
 ASSI { 4652}
   (  segid "    " and resid 56   and name HB% )
   (( segid "    " and resid 37   and name HB2 ))
      6.000     4.500     0.000 peak  4652 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.423 ppm2      4.105 CV     1
 ASSI { 4659}
   (  segid "    " and resid 56   and name HB% )
   (  segid "    " and resid 54   and name HD2%)
      6.000     4.500     0.000 peak  4659 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.419 ppm2     -0.626 CV     1
 OR { 4659}
   (  segid "    " and resid 56   and name HB% )
   (  segid "    " and resid 54   and name HD1%)
 ASSI { 4660}
   (  segid "    " and resid 93   and name HG2%)
   (( segid "    " and resid 82   and name HA  ))
      6.000     4.500     0.000 peak  4660 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.216 ppm2      4.371 CV     1
 ASSI { 4663}
   (  segid "    " and resid 93   and name HG2%)
   (( segid "    " and resid 17   and name HG1 ))
      6.000     4.500     0.000 peak  4663 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.219 ppm2      2.646 CV     1
 ASSI { 4664}
   (  segid "    " and resid 93   and name HG2%)
   (( segid "    " and resid 83   and name HB  ))
      6.000     4.500     0.000 peak  4664 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.221 ppm2      2.121 CV     1
 ASSI { 4665}
   (  segid "    " and resid 93   and name HG2%)
   (( segid "    " and resid 82   and name HB2 ))
      6.000     4.500     0.000 peak  4665 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.217 ppm2      1.582 CV     1
 OR { 4665}
   (  segid "    " and resid 93   and name HG2%)
   (( segid "    " and resid 82   and name HB1 ))
 ASSI { 4680}
   (  segid "    " and resid 18   and name HG1%)
   (  segid "    " and resid 22   and name HD2%)
      6.000     4.500     0.000 peak  4680 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.640 ppm2      0.894 CV     1
 ASSI { 4683}
   (  segid "    " and resid 111  and name HD2%)
   (( segid "    " and resid 67   and name HB1 ))
      6.000     4.500     0.000 peak  4683 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.381 ppm2      1.866 CV     1
 OR { 4683}
   (  segid "    " and resid 111  and name HD2%)
   (( segid "    " and resid 67   and name HB2 ))
 ASSI { 4684}
   (  segid "    " and resid 111  and name HD2%)
   (( segid "    " and resid 111  and name HB1 ))
      6.000     4.500     0.000 peak  4684 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.381 ppm2      0.893 CV     1
 ASSI { 4685}
   (  segid "    " and resid 111  and name HD2%)
   (  segid "    " and resid 70   and name HD2%)
      6.000     6.000     0.000 peak  4685 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.381 ppm2      0.753 CV     1
 ASSI { 4709}
   (  segid "    " and resid 18   and name HG1%)
   (( segid "    " and resid 22   and name HG  ))
      6.000     4.500     0.000 peak  4709 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.641 ppm2      1.911 CV     1
 ASSI { 4712}
   (  segid "    " and resid 18   and name HG1%)
   (  segid "    " and resid 7    and name HG2%)
      6.000     4.500     0.000 peak  4712 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.639 ppm2      0.793 CV     1
 ASSI { 4715}
   (  segid "    " and resid 18   and name HG1%)
   (( segid "    " and resid 54   and name HB1 ))
      6.000     4.500     0.000 peak  4715 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.638 ppm2      0.382 CV     1
 ASSI { 4716}
   (  segid "    " and resid 18   and name HG1%)
   (  segid "    " and resid 18   and name HG2%)
      6.000     4.500     0.000 peak  4716 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.639 ppm2      0.238 CV     1
 ASSI { 4720}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 45   and name HA  ))
      6.000     4.500     0.000 peak  4720 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.054 ppm2      4.588 CV     1
 ASSI { 4721}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 45   and name HG  ))
      6.000     4.500     0.000 peak  4721 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.055 ppm2      1.341 CV     1
 ASSI { 4729}
   (  segid "    " and resid 69   and name HD2%)
   (( segid "    " and resid 62   and name HB  ))
      6.000     4.500     0.000 peak  4729 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.942 ppm2      3.830 CV     1
 ASSI { 4731}
   (  segid "    " and resid 69   and name HD2%)
   (( segid "    " and resid 69   and name HB2 ))
      6.000     4.500     0.000 peak  4731 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.945 ppm2      2.214 CV     1
 ASSI { 4732}
   (  segid "    " and resid 69   and name HD2%)
   (( segid "    " and resid 69   and name HG  ))
      6.000     4.500     0.000 peak  4732 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.943 ppm2      1.625 CV     1
 ASSI { 4743}
   (  segid "    " and resid 70   and name HD2%)
   (( segid "    " and resid 98   and name HB  ))
      6.000     4.500     0.000 peak  4743 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.726 ppm2      2.127 CV     1
 ASSI { 4751}
   (( segid "    " and resid 128  and name HG  ))
   (( segid "    " and resid 133  and name HB1 ))
      6.000     4.500     0.000 peak  4751 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.305 ppm2      1.493 CV     1
 ASSI { 4754}
   (( segid "    " and resid 128  and name HG  ))
   (  segid "    " and resid 131  and name HD1%)
      6.000     4.500     0.000 peak  4754 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.307 ppm2      0.880 CV     1
 OR { 4754}
   (( segid "    " and resid 128  and name HG  ))
   (  segid "    " and resid 131  and name HG2%)
 ASSI { 4763}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 25   and name HB1 ))
      6.000     4.500     0.000 peak  4763 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.020 ppm2      2.111 CV     1
 OR { 4763}
   (  segid "    " and resid 58   and name HG1%)
   (( segid "    " and resid 25   and name HB1 ))
 ASSI { 4768}
   (  segid "    " and resid 58   and name HG1%)
   (( segid "    " and resid 22   and name HB2 ))
      6.000     4.500     0.000 peak  4768 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.011 ppm2      1.488 CV     1
 OR { 4768}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 22   and name HB2 ))
 ASSI { 4773}
   (  segid "    " and resid 58   and name HG1%)
   (  segid "    " and resid 7    and name HD1%)
      6.000     4.500     0.000 peak  4773 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.010 ppm2      0.671 CV     1
 OR { 4773}
   (  segid "    " and resid 58   and name HG2%)
   (  segid "    " and resid 7    and name HD1%)
 ASSI { 4776}
   (  segid "    " and resid 94   and name HD2%)
   (( segid "    " and resid 77   and name HB1 ))
      6.000     4.500     0.000 peak  4776 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.875 ppm2      2.612 CV     1
 OR { 4776}
   (  segid "    " and resid 94   and name HD1%)
   (( segid "    " and resid 77   and name HB1 ))
 ASSI { 4779}
   (  segid "    " and resid 94   and name HD1%)
   (( segid "    " and resid 18   and name HA  ))
      6.000     4.500     0.000 peak  4779 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.865 ppm2      3.432 CV     1
 OR { 4779}
   (  segid "    " and resid 94   and name HD2%)
   (( segid "    " and resid 18   and name HA  ))
 ASSI { 4782}
   (  segid "    " and resid 70   and name HD2%)
   (( segid "    " and resid 74   and name HG1 ))
      6.000     4.500     0.000 peak  4782 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.729 ppm2      2.435 CV     1
 ASSI { 4786}
   (  segid "    " and resid 70   and name HD2%)
   (( segid "    " and resid 98   and name HG12))
      6.000     4.500     0.000 peak  4786 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.723 ppm2      0.992 CV     1
 ASSI { 4787}
   (  segid "    " and resid 70   and name HD2%)
   (  segid "    " and resid 70   and name HD1%)
      6.000     4.500     0.000 peak  4787 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.721 ppm2      0.486 CV     1
 ASSI { 4788}
   (( segid "    " and resid 128  and name HG  ))
   (( segid "    " and resid 100  and name HB1 ))
      6.000     4.500     0.000 peak  4788 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.305 ppm2      1.810 CV     1
 ASSI { 4796}
   (  segid "    " and resid 94   and name HD1%)
   (( segid "    " and resid 21   and name HA  ))
      6.000     4.500     0.000 peak  4796 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.881 ppm2      4.161 CV     1
 OR { 4796}
   (  segid "    " and resid 94   and name HD2%)
   (( segid "    " and resid 21   and name HA  ))
 ASSI { 4797}
   (  segid "    " and resid 113  and name HG1%)
   (( segid "    " and resid 101  and name HB2 ))
      6.000     4.500     0.000 peak  4797 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.880 ppm2      3.348 CV     1
 ASSI { 4799}
   (  segid "    " and resid 94   and name HD2%)
   (( segid "    " and resid 80   and name HA  ))
      6.000     4.500     0.000 peak  4799 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.853 ppm2      4.528 CV     1
 OR { 4799}
   (  segid "    " and resid 94   and name HD1%)
   (( segid "    " and resid 80   and name HA  ))
 ASSI { 4808}
   (  segid "    " and resid 57   and name HB% )
   (( segid "    " and resid 37   and name HB2 ))
      6.000     4.500     0.000 peak  4808 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.357 ppm2      4.084 CV     1
 ASSI { 4809}
   (  segid "    " and resid 57   and name HB% )
   (( segid "    " and resid 128  and name HA  ))
      6.000     4.500     0.000 peak  4809 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.363 ppm2      3.847 CV     1
 ASSI { 4819}
   (  segid "    " and resid 57   and name HB% )
   (  segid "    " and resid 131  and name HG2%)
      6.000     4.500     0.000 peak  4819 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.362 ppm2      0.876 CV     1
 OR { 4819}
   (  segid "    " and resid 57   and name HB% )
   (  segid "    " and resid 131  and name HD1%)
 ASSI { 4821}
   (  segid "    " and resid 57   and name HB% )
   (  segid "    " and resid 128  and name HD1%)
      6.000     4.500     0.000 peak  4821 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.362 ppm2      0.594 CV     1
 OR { 4821}
   (  segid "    " and resid 57   and name HB% )
   (  segid "    " and resid 128  and name HD2%)
 ASSI { 4822}
   (  segid "    " and resid 57   and name HB% )
   (( segid "    " and resid 128  and name HG  ))
      6.000     4.500     0.000 peak  4822 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.363 ppm2      0.305 CV     1
 ASSI { 4830}
   (  segid "    " and resid 36   and name HG1%)
   (( segid "    " and resid 22   and name HB2 ))
      6.000     4.500     0.000 peak  4830 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.115 ppm2      1.484 CV     1
 ASSI { 4839}
   (  segid "    " and resid 2    and name HG1%)
   (  segid "    " and resid 2    and name HG2%)
      6.000     4.500     0.000 peak  4839 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.775 ppm2      0.128 CV     1
 ASSI { 4857}
   (( segid "    " and resid 54   and name HG  ))
   (( segid "    " and resid 39   and name HB1 ))
      6.000     4.500     0.000 peak  4857 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.239 ppm2      3.379 CV     1
 ASSI { 4862}
   (( segid "    " and resid 54   and name HG  ))
   (  segid "    " and resid 56   and name HB% )
      6.000     4.500     0.000 peak  4862 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.239 ppm2      1.407 CV     1
 ASSI { 4863}
   (( segid "    " and resid 54   and name HG  ))
   (( segid "    " and resid 54   and name HB2 ))
      6.000     4.500     0.000 peak  4863 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.237 ppm2      0.968 CV     1
 ASSI { 4865}
   (( segid "    " and resid 54   and name HG  ))
   (  segid "    " and resid 18   and name HG1%)
      6.000     4.500     0.000 peak  4865 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.238 ppm2      0.635 CV     1
 ASSI { 4867}
   (( segid "    " and resid 54   and name HG  ))
   (  segid "    " and resid 54   and name HD1%)
      6.000     4.500     0.000 peak  4867 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.239 ppm2     -0.634 CV     1
 OR { 4867}
   (( segid "    " and resid 54   and name HG  ))
   (  segid "    " and resid 54   and name HD2%)
 ASSI { 4875}
   (  segid "    " and resid 147  and name HD2%)
   (  segid "    " and resid 125  and name HD1%)
      6.000     4.500     0.000 peak  4875 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1     -0.569 ppm2      0.482 CV     1
 OR { 4875}
   (  segid "    " and resid 147  and name HD2%)
   (  segid "    " and resid 125  and name HD2%)
 ASSI { 4879}
   (  segid "    " and resid 149  and name HG2%)
   (( segid "    " and resid 146  and name HA  ))
      6.000     4.500     0.000 peak  4879 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.280 ppm2      3.650 CV     1
 ASSI { 4883}
   (  segid "    " and resid 59   and name HB% )
   (( segid "    " and resid 131  and name HG11))
      6.000     4.500     0.000 peak  4883 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.264 ppm2      1.641 CV     1
 OR { 4883}
   (  segid "    " and resid 59   and name HB% )
   (( segid "    " and resid 131  and name HG12))
 ASSI { 4884}
   (  segid "    " and resid 59   and name HB% )
   (( segid "    " and resid 34   and name HB1 ))
      6.000     4.500     0.000 peak  4884 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.255 ppm2      1.705 CV     1
 ASSI { 4885}
   (  segid "    " and resid 59   and name HB% )
   (  segid "    " and resid 2    and name HG2%)
      6.000     4.500     0.000 peak  4885 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.258 ppm2      0.133 CV     1
 ASSI { 4890}
   (  segid "    " and resid 113  and name HG2%)
   (( segid "    " and resid 114  and name HD2 ))
      6.000     4.500     0.000 peak  4890 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.177 ppm2      3.690 CV     1
 ASSI { 4892}
   (  segid "    " and resid 113  and name HG2%)
   (( segid "    " and resid 114  and name HB2 ))
      6.000     4.500     0.000 peak  4892 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.173 ppm2      2.882 CV     1
 ASSI { 4893}
   (  segid "    " and resid 113  and name HG2%)
   (( segid "    " and resid 114  and name HG1 ))
      6.000     4.500     0.000 peak  4893 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.176 ppm2      2.459 CV     1
 ASSI { 4895}
   (  segid "    " and resid 113  and name HG2%)
   (( segid "    " and resid 114  and name HB1 ))
      6.000     4.500     0.000 peak  4895 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.176 ppm2      2.141 CV     1
 ASSI { 4896}
   (  segid "    " and resid 113  and name HG2%)
   (( segid "    " and resid 114  and name HG2 ))
      6.000     4.500     0.000 peak  4896 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.175 ppm2      2.011 CV     1
 ASSI { 4897}
   (  segid "    " and resid 113  and name HG2%)
   (( segid "    " and resid 113  and name HB  ))
      6.000     4.500     0.000 peak  4897 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.176 ppm2      1.879 CV     1
 ASSI { 4906}
   (  segid "    " and resid 105  and name HG2%)
   (( segid "    " and resid 104  and name HB1 ))
      6.000     4.500     0.000 peak  4906 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.062 ppm2      2.181 CV     1
 OR { 4906}
   (  segid "    " and resid 105  and name HG1%)
   (( segid "    " and resid 104  and name HB1 ))
 ASSI { 4907}
   (  segid "    " and resid 136  and name HG1%)
   (( segid "    " and resid 135  and name HB2 ))
      6.000     4.500     0.000 peak  4907 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.063 ppm2      1.745 CV     1
 OR { 4907}
   (  segid "    " and resid 136  and name HG2%)
   (( segid "    " and resid 135  and name HB2 ))
 ASSI { 4911}
   (  segid "    " and resid 2    and name HG1%)
   (  segid "    " and resid 59   and name HB% )
      6.000     4.500     0.000 peak  4911 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.783 ppm2      1.265 CV     1
 ASSI { 4928}
   (  segid "    " and resid 6    and name HB% )
   (( segid "    " and resid 99   and name HG1 ))
      6.000     4.500     0.000 peak  4928 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.778 ppm2      2.689 CV     1
 ASSI { 4933}
   (  segid "    " and resid 6    and name HB% )
   (  segid "    " and resid 5    and name HG2%)
      6.000     4.500     0.000 peak  4933 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.777 ppm2      0.856 CV     1
 ASSI { 4937}
   (  segid "    " and resid 105  and name HG2%)
   (( segid "    " and resid 114  and name HD1 ))
      6.000     4.500     0.000 peak  4937 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.036 ppm2      4.183 CV     1
 OR { 4937}
   (  segid "    " and resid 105  and name HG1%)
   (( segid "    " and resid 114  and name HD1 ))
 ASSI { 4945}
   (  segid "    " and resid 83   and name HG1%)
   (( segid "    " and resid 85   and name HG2 ))
      6.000     4.500     0.000 peak  4945 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.971 ppm2      1.444 CV     1
 OR { 4945}
   (  segid "    " and resid 83   and name HG1%)
   (( segid "    " and resid 85   and name HG1 ))
 OR { 4945}
   (  segid "    " and resid 83   and name HG2%)
   (( segid "    " and resid 85   and name HG2 ))
 OR { 4945}
   (  segid "    " and resid 83   and name HG2%)
   (( segid "    " and resid 85   and name HG1 ))
 ASSI { 4952}
   (( segid "    " and resid 155  and name HG  ))
   (( segid "    " and resid 127  and name HD2 ))
      6.000     4.500     0.000 peak  4952 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.787 ppm2      3.237 CV     1
 ASSI { 4953}
   (( segid "    " and resid 155  and name HG  ))
   (( segid "    " and resid 40   and name HB2 ))
      6.000     4.500     0.000 peak  4953 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.786 ppm2      3.086 CV     1
 ASSI { 4955}
   (( segid "    " and resid 155  and name HG  ))
   (( segid "    " and resid 154  and name HE1 ))
      6.000     4.500     0.000 peak  4955 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.788 ppm2      2.850 CV     1
 ASSI { 4956}
   (( segid "    " and resid 155  and name HG  ))
   (( segid "    " and resid 40   and name HB1 ))
      6.000     4.500     0.000 peak  4956 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.786 ppm2      2.727 CV     1
 ASSI { 4961}
   (( segid "    " and resid 1    and name HG21))
   (( segid "    " and resid 104  and name HG2 ))
      6.000     4.500     0.000 peak  4961 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.562 ppm2      2.549 CV     1
 ASSI { 4965}
   (( segid "    " and resid 1    and name HG21))
   (( segid "    " and resid 2    and name HA  ))
      6.000     4.500     0.000 peak  4965 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.557 ppm2      4.233 CV     1
 ASSI { 4966}
   (( segid "    " and resid 1    and name HG21))
   (  segid "    " and resid 62   and name HG2%)
      6.000     4.500     0.000 peak  4966 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.555 ppm2      1.112 CV     1
 ASSI { 4978}
   (  segid "    " and resid 3    and name HB% )
   (( segid "    " and resid 101  and name HB1 ))
      6.000     4.500     0.000 peak  4978 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.232 ppm2      2.326 CV     1
 ASSI { 4979}
   (  segid "    " and resid 3    and name HB% )
   (( segid "    " and resid 60   and name HB1 ))
      6.000     4.500     0.000 peak  4979 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.229 ppm2      1.833 CV     1
 ASSI { 4990}
   (  segid "    " and resid 36   and name HG2%)
   (( segid "    " and resid 33   and name HG12))
      6.000     4.500     0.000 peak  4990 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.361 ppm2      1.618 CV     1
 OR { 4990}
   (  segid "    " and resid 36   and name HG2%)
   (( segid "    " and resid 33   and name HG11))
 ASSI { 4991}
   (  segid "    " and resid 36   and name HG2%)
   (( segid "    " and resid 22   and name HB2 ))
      6.000     4.500     0.000 peak  4991 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.358 ppm2      1.502 CV     1
 ASSI { 4992}
   (  segid "    " and resid 36   and name HG2%)
   (  segid "    " and resid 22   and name HD2%)
      6.000     4.500     0.000 peak  4992 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.358 ppm2      0.866 CV     1
 ASSI { 4999}
   (  segid "    " and resid 18   and name HG2%)
   (  segid "    " and resid 56   and name HB% )
      6.000     4.500     0.000 peak  4999 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.236 ppm2      1.402 CV     1
 ASSI { 5002}
   (  segid "    " and resid 18   and name HG2%)
   (  segid "    " and resid 7    and name HG2%)
      6.000     4.500     0.000 peak  5002 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.237 ppm2      0.824 CV     1
 ASSI { 5005}
   (  segid "    " and resid 18   and name HG2%)
   (  segid "    " and resid 54   and name HD2%)
      6.000     4.500     0.000 peak  5005 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.237 ppm2     -0.637 CV     1
 ASSI { 5011}
   (  segid "    " and resid 2    and name HG2%)
   (  segid "    " and resid 132  and name HB% )
      6.000     4.500     0.000 peak  5011 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.138 ppm2      1.018 CV     1
 ASSI { 5027}
   (  segid "    " and resid 86   and name HB% )
   (( segid "    " and resid 47   and name HG2 ))
      6.000     4.500     0.000 peak  5027 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.450 ppm2      2.112 CV     1
 ASSI { 5031}
   (  segid "    " and resid 24   and name HB% )
   (( segid "    " and resid 76   and name HA  ))
      6.000     4.500     0.000 peak  5031 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.572 ppm2      3.593 CV     1
 ASSI { 5032}
   (  segid "    " and resid 21   and name HB% )
   (( segid "    " and resid 22   and name HG  ))
      6.000     4.500     0.000 peak  5032 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.570 ppm2      1.945 CV     1
 ASSI { 5036}
   (  segid "    " and resid 24   and name HB% )
   (( segid "    " and resid 76   and name HG11))
      6.000     4.500     0.000 peak  5036 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.575 ppm2      2.121 CV     1
 OR { 5036}
   (  segid "    " and resid 24   and name HB% )
   (( segid "    " and resid 76   and name HG12))
 ASSI { 5043}
   (  segid "    " and resid 21   and name HB% )
   (  segid "    " and resid 18   and name HG2%)
      6.000     4.500     0.000 peak  5043 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.563 ppm2      0.244 CV     1
 ASSI { 5044}
   (  segid "    " and resid 21   and name HB% )
   (( segid "    " and resid 18   and name HA  ))
      6.000     4.500     0.000 peak  5044 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.560 ppm2      3.429 CV     1
 ASSI { 5082}
   (  segid "    " and resid 15   and name HD1%)
   (( segid "    " and resid 14   and name HB2 ))
      6.000     4.500     0.000 peak  5082 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.019 ppm2      1.163 CV     1
 OR { 5082}
   (  segid "    " and resid 15   and name HD2%)
   (( segid "    " and resid 14   and name HB2 ))
 ASSI { 5099}
   (  segid "    " and resid 62   and name HG2%)
   (( segid "    " and resid 69   and name HB2 ))
      6.000     4.500     0.000 peak  5099 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.116 ppm2      2.216 CV     1
 ASSI { 5101}
   (  segid "    " and resid 62   and name HG2%)
   (( segid "    " and resid 64   and name HB2 ))
      6.000     4.500     0.000 peak  5101 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.112 ppm2      1.771 CV     1
 ASSI { 5102}
   (  segid "    " and resid 62   and name HG2%)
   (( segid "    " and resid 64   and name HB1 ))
      6.000     4.500     0.000 peak  5102 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.112 ppm2      1.483 CV     1
 ASSI { 5111}
   (  segid "    " and resid 106  and name HG2%)
   (  segid "    " and resid 108  and name HG2%)
      6.000     4.500     0.000 peak  5111 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.944 ppm2      1.220 CV     1
 ASSI { 5112}
   (  segid "    " and resid 106  and name HG2%)
   (  segid "    " and resid 106  and name HD1%)
      6.000     4.500     0.000 peak  5112 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.945 ppm2      0.641 CV     1
 ASSI { 5118}
   (  segid "    " and resid 131  and name HG2%)
   (  segid "    " and resid 59   and name HB% )
      6.000     4.500     0.000 peak  5118 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.849 ppm2      1.272 CV     1
 ASSI { 5135}
   (  segid "    " and resid 131  and name HG2%)
   (( segid "    " and resid 128  and name HG  ))
      6.000     4.500     0.000 peak  5135 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.845 ppm2      0.283 CV     1
 ASSI { 5137}
   (  segid "    " and resid 76   and name HG2%)
   (( segid "    " and resid 25   and name HA  ))
      6.000     4.500     0.000 peak  5137 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.838 ppm2      3.917 CV     1
 ASSI { 5138}
   (  segid "    " and resid 76   and name HG2%)
   (( segid "    " and resid 77   and name HA  ))
      6.000     4.500     0.000 peak  5138 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.836 ppm2      3.747 CV     1
 ASSI { 5143}
   (  segid "    " and resid 76   and name HG2%)
   (( segid "    " and resid 76   and name HA  ))
      6.000     4.500     0.000 peak  5143 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.830 ppm2      3.600 CV     1
 ASSI { 5146}
   (  segid "    " and resid 11   and name HD1%)
   (( segid "    " and resid 48   and name HB2 ))
      6.000     4.500     0.000 peak  5146 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.755 ppm2      2.275 CV     1
 OR { 5146}
   (  segid "    " and resid 11   and name HD2%)
   (( segid "    " and resid 48   and name HB2 ))
 ASSI { 5149}
   (  segid "    " and resid 146  and name HG2%)
   (( segid "    " and resid 150  and name HD2 ))
      6.000     4.500     0.000 peak  5149 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.752 ppm2      2.964 CV     1
 ASSI { 5152}
   (  segid "    " and resid 65   and name HB% )
   (( segid "    " and resid 68   and name HG2 ))
      6.000     4.500     0.000 peak  5152 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.459 ppm2      2.416 CV     1
 OR { 5152}
   (  segid "    " and resid 65   and name HB% )
   (( segid "    " and resid 68   and name HG1 ))
 ASSI { 5154}
   (  segid "    " and resid 20   and name HB% )
   (( segid "    " and resid 80   and name HG2 ))
      6.000     4.500     0.000 peak  5154 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.453 ppm2      2.255 CV     1
 ASSI { 5155}
   (  segid "    " and resid 65   and name HB% )
   (( segid "    " and resid 67   and name HG1 ))
      6.000     4.500     0.000 peak  5155 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.453 ppm2      2.018 CV     1
 ASSI { 5161}
   (  segid "    " and resid 33   and name HG2%)
   (( segid "    " and resid 33   and name HA  ))
      6.000     4.500     0.000 peak  5161 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.780 ppm2      3.886 CV     1
 ASSI { 5170}
   (  segid "    " and resid 20   and name HB% )
   (( segid "    " and resid 17   and name HA  ))
      6.000     4.500     0.000 peak  5170 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.453 ppm2      4.002 CV     1
 ASSI { 5174}
   (  segid "    " and resid 28   and name HG2%)
   (( segid "    " and resid 69   and name HA  ))
      6.000     4.500     0.000 peak  5174 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.604 ppm2      4.202 CV     1
 ASSI { 5179}
   (  segid "    " and resid 28   and name HG2%)
   (( segid "    " and resid 29   and name HD2 ))
      6.000     4.500     0.000 peak  5179 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.604 ppm2      2.754 CV     1
 ASSI { 5181}
   (  segid "    " and resid 28   and name HG2%)
   (( segid "    " and resid 64   and name HB2 ))
      6.000     4.500     0.000 peak  5181 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.604 ppm2      1.741 CV     1
 ASSI { 5184}
   (  segid "    " and resid 12   and name HB% )
   (( segid "    " and resid 17   and name HG1 ))
      6.000     4.500     0.000 peak  5184 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.249 ppm2      2.637 CV     1
 OR { 5184}
   (  segid "    " and resid 12   and name HB% )
   (( segid "    " and resid 17   and name HG2 ))
 ASSI { 5187}
   (  segid "    " and resid 28   and name HD1%)
   (( segid "    " and resid 72   and name HB1 ))
      6.000     4.500     0.000 peak  5187 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.820 ppm2      3.451 CV     1
 ASSI { 5188}
   (  segid "    " and resid 28   and name HD1%)
   (( segid "    " and resid 72   and name HB2 ))
      6.000     4.500     0.000 peak  5188 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.815 ppm2      2.952 CV     1
 ASSI { 5200}
   (  segid "    " and resid 131  and name HD1%)
   (( segid "    " and resid 4    and name HB2 ))
      6.000     4.500     0.000 peak  5200 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.887 ppm2      2.729 CV     1
 ASSI { 5202}
   (  segid "    " and resid 131  and name HD1%)
   (  segid "    " and resid 59   and name HB% )
      6.000     4.500     0.000 peak  5202 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.885 ppm2      1.266 CV     1
 ASSI { 5203}
   (  segid "    " and resid 131  and name HD1%)
   (( segid "    " and resid 128  and name HG  ))
      6.000     4.500     0.000 peak  5203 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.886 ppm2      0.305 CV     1
 ASSI { 5204}
   (  segid "    " and resid 131  and name HD1%)
   (( segid "    " and resid 128  and name HA  ))
      6.000     4.500     0.000 peak  5204 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.878 ppm2      3.868 CV     1
 ASSI { 5205}
   (  segid "    " and resid 131  and name HD1%)
   (( segid "    " and resid 131  and name HB  ))
      6.000     4.500     0.000 peak  5205 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.882 ppm2      2.147 CV     1
 ASSI { 5206}
   (  segid "    " and resid 131  and name HD1%)
   (( segid "    " and resid 131  and name HG12))
      6.000     4.500     0.000 peak  5206 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.880 ppm2      1.658 CV     1
 OR { 5206}
   (  segid "    " and resid 131  and name HD1%)
   (( segid "    " and resid 131  and name HG11))
 ASSI { 5208}
   (  segid "    " and resid 28   and name HD1%)
   (( segid "    " and resid 25   and name HA  ))
      6.000     4.500     0.000 peak  5208 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.815 ppm2      3.891 CV     1
 ASSI { 5210}
   (  segid "    " and resid 146  and name HD1%)
   (( segid "    " and resid 119  and name HA  ))
      6.000     4.500     0.000 peak  5210 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.475 ppm2      3.818 CV     1
 ASSI { 5227}
   (  segid "    " and resid 106  and name HD1%)
   (( segid "    " and resid 66   and name HG2 ))
      6.000     4.500     0.000 peak  5227 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.642 ppm2      1.745 CV     1
 ASSI { 5229}
   (  segid "    " and resid 33   and name HD1%)
   (( segid "    " and resid 33   and name HA  ))
      6.000     4.500     0.000 peak  5229 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.911 ppm2      3.916 CV     1
 ASSI { 5230}
   (  segid "    " and resid 33   and name HD1%)
   (( segid "    " and resid 25   and name HB1 ))
      6.000     4.500     0.000 peak  5230 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.913 ppm2      2.125 CV     1
 ASSI { 5233}
   (  segid "    " and resid 33   and name HD1%)
   (( segid "    " and resid 33   and name HG12))
      6.000     4.500     0.000 peak  5233 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.911 ppm2      1.596 CV     1
 OR { 5233}
   (  segid "    " and resid 33   and name HD1%)
   (( segid "    " and resid 33   and name HG11))
 ASSI { 5236}
   (  segid "    " and resid 98   and name HG2%)
   (( segid "    " and resid 101  and name HB2 ))
      6.000     4.500     0.000 peak  5236 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.813 ppm2      3.347 CV     1
 ASSI { 5241}
   (( segid "    " and resid 105  and name HB  ))
   (  segid "    " and resid 105  and name HG1%)
      6.000     4.500     0.000 peak  5241 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.018 ppm2      1.038 CV     1
 OR { 5241}
   (( segid "    " and resid 105  and name HB  ))
   (  segid "    " and resid 105  and name HG2%)
 ASSI {    5}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 3    and name HA  ))
      3.100     1.200     1.200 peak     5 spectrum    1 weight  0.10000E+01 volume  0.38407E-02 ppm1      9.234 ppm2      4.963 CV     1
 ASSI {    6}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 61   and name HA  ))
      3.200     1.200     1.200 peak     6 spectrum    1 weight  0.10000E+01 volume  0.12828E-01 ppm1      9.234 ppm2      4.747 CV     1
 ASSI {    7}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 2    and name HA  ))
      2.200     0.600     0.600 peak     7 spectrum    1 weight  0.10000E+01 volume  0.27283E-01 ppm1      9.234 ppm2      4.216 CV     1
 ASSI {    8}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 2    and name HB  ))
      3.700     1.700     1.700 peak     8 spectrum    1 weight  0.10000E+01 volume  0.87166E-02 ppm1      9.235 ppm2      1.775 CV     1
 ASSI {    9}
   (( segid "    " and resid 3    and name HN  ))
   (  segid "    " and resid 3    and name HB% )
      2.400     0.700     0.700 peak     9 spectrum    1 weight  0.10000E+01 volume  0.19390E-01 ppm1      9.235 ppm2      1.223 CV     1
 ASSI {   11}
   (( segid "    " and resid 3    and name HN  ))
   (  segid "    " and resid 2    and name HG2%)
      3.700     1.700     1.700 peak    11 spectrum    1 weight  0.10000E+01 volume  0.15517E-01 ppm1      9.235 ppm2      0.778 CV     1
 ASSI {   13}
   (( segid "    " and resid 3    and name HN  ))
   (  segid "    " and resid 2    and name HG1%)
      2.700     0.900     0.900 peak    13 spectrum    1 weight  0.10000E+01 volume  0.14260E-01 ppm1      9.234 ppm2      0.128 CV     1
 ASSI {   14}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 96   and name HB2 ))
      4.500     2.500     1.500 peak    14 spectrum    1 weight  0.10000E+01 volume  0.31956E-02 ppm1     10.003 ppm2      2.153 CV     1
 ASSI {   17}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 99   and name HN  ))
      4.500     2.500     1.500 peak    17 spectrum    1 weight  0.10000E+01 volume  0.23920E-02 ppm1      9.996 ppm2      9.591 CV     1
 ASSI {   20}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 5    and name HA  ))
      2.400     0.700     0.700 peak    20 spectrum    1 weight  0.10000E+01 volume  0.15553E-01 ppm1      9.997 ppm2      4.872 CV     1
 ASSI {   21}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 98   and name HA  ))
      4.400     2.400     1.600 peak    21 spectrum    1 weight  0.10000E+01 volume  0.39733E-02 ppm1      9.996 ppm2      4.173 CV     1
 ASSI {   22}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 99   and name HG1 ))
      3.800     1.800     1.800 peak    22 spectrum    1 weight  0.10000E+01 volume  0.38120E-02 ppm1      9.996 ppm2      2.675 CV     1
 ASSI {   23}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 97   and name HB2 ))
      6.000     6.000     0.000 peak    23 spectrum    1 weight  0.10000E+01 volume  0.13893E-03 ppm1      9.996 ppm2      2.548 CV     1
 ASSI {   25}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 5    and name HG12))
      4.000     2.000     2.000 peak    25 spectrum    1 weight  0.10000E+01 volume  0.86084E-02 ppm1      9.997 ppm2      1.574 CV     1
 OR {   25}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 5    and name HG11))
 ASSI {   30}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 50   and name HE21))
      3.400     1.400     1.400 peak    30 spectrum    1 weight  0.10000E+01 volume  0.87508E-02 ppm1      9.418 ppm2      7.106 CV     1
 ASSI {   31}
   (( segid "    " and resid 45   and name HN  ))
   (  segid "    " and resid 53   and name HD% )
      4.000     2.000     2.000 peak    31 spectrum    1 weight  0.10000E+01 volume  0.64323E-02 ppm1      9.417 ppm2      6.574 CV     1
 ASSI {   33}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 45   and name HA  ))
      3.300     1.300     1.300 peak    33 spectrum    1 weight  0.10000E+01 volume  0.42204E-02 ppm1      9.416 ppm2      4.569 CV     1
 ASSI {   34}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 44   and name HA  ))
      3.200     1.300     1.300 peak    34 spectrum    1 weight  0.10000E+01 volume  0.72435E-02 ppm1      9.420 ppm2      4.198 CV     1
 ASSI {   35}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 44   and name HB2 ))
      3.300     1.400     1.400 peak    35 spectrum    1 weight  0.10000E+01 volume  0.38300E-02 ppm1      9.419 ppm2      1.924 CV     1
 OR {   35}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 44   and name HB1 ))
 ASSI {   36}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 45   and name HB2 ))
      3.100     1.200     1.200 peak    36 spectrum    1 weight  0.10000E+01 volume  0.10926E-01 ppm1      9.416 ppm2      1.595 CV     1
 OR {   36}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 45   and name HB1 ))
 ASSI {   37}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 45   and name HG  ))
      4.200     2.200     1.800 peak    37 spectrum    1 weight  0.10000E+01 volume  0.17320E-02 ppm1      9.418 ppm2      1.351 CV     1
 ASSI {   38}
   (( segid "    " and resid 45   and name HN  ))
   (  segid "    " and resid 45   and name HD1%)
      4.400     2.400     1.600 peak    38 spectrum    1 weight  0.10000E+01 volume  0.26520E-02 ppm1      9.417 ppm2      0.824 CV     1
 ASSI {   40}
   (( segid "    " and resid 45   and name HN  ))
   (  segid "    " and resid 45   and name HD2%)
      4.200     2.200     1.800 peak    40 spectrum    1 weight  0.10000E+01 volume  0.25333E-02 ppm1      9.412 ppm2      1.055 CV     1
 ASSI {   43}
   (( segid "    " and resid 96   and name HN  ))
   (( segid "    " and resid 96   and name HB2 ))
      4.000     2.000     2.000 peak    43 spectrum    1 weight  0.10000E+01 volume  0.35367E-02 ppm1     10.616 ppm2      2.177 CV     1
 ASSI {   44}
   (( segid "    " and resid 96   and name HN  ))
   (( segid "    " and resid 77   and name HG2 ))
      3.900     1.900     1.900 peak    44 spectrum    1 weight  0.10000E+01 volume  0.24355E-02 ppm1     10.617 ppm2      1.953 CV     1
 ASSI {   45}
   (( segid "    " and resid 96   and name HN  ))
   (( segid "    " and resid 96   and name HG  ))
      3.600     1.600     1.600 peak    45 spectrum    1 weight  0.10000E+01 volume  0.28893E-02 ppm1     10.617 ppm2      1.623 CV     1
 ASSI {   47}
   (( segid "    " and resid 96   and name HN  ))
   (( segid "    " and resid 96   and name HB1 ))
      3.000     1.100     1.100 peak    47 spectrum    1 weight  0.10000E+01 volume  0.74447E-02 ppm1     10.613 ppm2      0.949 CV     1
 ASSI {   51}
   (( segid "    " and resid 106  and name HN  ))
   (( segid "    " and resid 107  and name HN  ))
      4.100     2.100     1.900 peak    51 spectrum    1 weight  0.10000E+01 volume  0.35238E-02 ppm1      9.385 ppm2      9.217 CV     1
 ASSI {   52}
   (( segid "    " and resid 106  and name HN  ))
   (( segid "    " and resid 105  and name HA  ))
      2.300     0.700     0.700 peak    52 spectrum    1 weight  0.10000E+01 volume  0.18058E-01 ppm1      9.384 ppm2      4.649 CV     1
 ASSI {   54}
   (( segid "    " and resid 106  and name HN  ))
   (( segid "    " and resid 114  and name HD2 ))
      6.000     5.400     0.000 peak    54 spectrum    1 weight  0.10000E+01 volume  0.81954E-03 ppm1      9.387 ppm2      3.667 CV     1
 ASSI {   55}
   (( segid "    " and resid 106  and name HN  ))
   (  segid "    " and resid 105  and name HG1%)
      3.200     1.300     1.300 peak    55 spectrum    1 weight  0.10000E+01 volume  0.22339E-01 ppm1      9.387 ppm2      1.038 CV     1
 OR {   55}
   (( segid "    " and resid 106  and name HN  ))
   (  segid "    " and resid 105  and name HG2%)
 ASSI {   56}
   (( segid "    " and resid 106  and name HN  ))
   (  segid "    " and resid 106  and name HD1%)
      3.900     1.900     1.900 peak    56 spectrum    1 weight  0.10000E+01 volume  0.30203E-02 ppm1      9.382 ppm2      0.646 CV     1
 ASSI {   57}
   (( segid "    " and resid 106  and name HN  ))
   (( segid "    " and resid 112  and name HA  ))
      5.300     3.600     0.700 peak    57 spectrum    1 weight  0.10000E+01 volume  0.13682E-02 ppm1      9.388 ppm2      5.244 CV     1
 ASSI {   59}
   (( segid "    " and resid 106  and name HN  ))
   (( segid "    " and resid 106  and name HA  ))
      3.100     1.200     1.200 peak    59 spectrum    1 weight  0.10000E+01 volume  0.65434E-02 ppm1      9.386 ppm2      4.306 CV     1
 ASSI {   61}
   (( segid "    " and resid 106  and name HN  ))
   (( segid "    " and resid 106  and name HB  ))
      3.000     1.100     1.100 peak    61 spectrum    1 weight  0.10000E+01 volume  0.94917E-02 ppm1      9.385 ppm2      1.442 CV     1
 ASSI {   63}
   (( segid "    " and resid 132  and name HN  ))
   (  segid "    " and resid 129  and name HD% )
      5.700     4.100     0.300 peak    63 spectrum    1 weight  0.10000E+01 volume  0.15376E-02 ppm1      8.300 ppm2      7.192 CV     1
 ASSI {   64}
   (( segid "    " and resid 132  and name HN  ))
   (( segid "    " and resid 131  and name HN  ))
      2.400     0.700     0.700 peak    64 spectrum    1 weight  0.10000E+01 volume  0.16153E-01 ppm1      8.300 ppm2      6.926 CV     1
 ASSI {   65}
   (( segid "    " and resid 132  and name HN  ))
   (( segid "    " and resid 132  and name HA  ))
      2.800     1.000     1.000 peak    65 spectrum    1 weight  0.10000E+01 volume  0.10202E-01 ppm1      8.300 ppm2      4.758 CV     1
 ASSI {   66}
   (( segid "    " and resid 132  and name HN  ))
   (( segid "    " and resid 133  and name HA  ))
      3.700     1.700     1.700 peak    66 spectrum    1 weight  0.10000E+01 volume  0.24803E-02 ppm1      8.304 ppm2      4.104 CV     1
 ASSI {   69}
   (( segid "    " and resid 132  and name HN  ))
   (( segid "    " and resid 133  and name HB1 ))
      3.100     3.100     2.900 peak    69 spectrum    1 weight  0.10000E+01 volume  0.11604E-01 ppm1      8.300 ppm2      1.474 CV     1
 ASSI {   70}
   (( segid "    " and resid 132  and name HN  ))
   (  segid "    " and resid 132  and name HB% )
      2.900     1.000     1.000 peak    70 spectrum    1 weight  0.10000E+01 volume  0.20016E-01 ppm1      8.300 ppm2      1.006 CV     1
 ASSI {   71}
   (( segid "    " and resid 132  and name HN  ))
   (  segid "    " and resid 128  and name HD2%)
      4.800     2.900     1.200 peak    71 spectrum    1 weight  0.10000E+01 volume  0.98155E-03 ppm1      8.303 ppm2      0.606 CV     1
 OR {   71}
   (( segid "    " and resid 132  and name HN  ))
   (  segid "    " and resid 128  and name HD1%)
 ASSI {   72}
   (( segid "    " and resid 132  and name HN  ))
   (( segid "    " and resid 128  and name HG  ))
      3.700     1.800     1.800 peak    72 spectrum    1 weight  0.10000E+01 volume  0.40878E-02 ppm1      8.300 ppm2      0.319 CV     1
 ASSI {   73}
   (( segid "    " and resid 98   and name HN  ))
   (( segid "    " and resid 97   and name HB1 ))
      4.600     2.600     1.400 peak    73 spectrum    1 weight  0.10000E+01 volume  0.59334E-03 ppm1     11.149 ppm2      2.361 CV     1
 ASSI {   76}
   (( segid "    " and resid 98   and name HN  ))
   (( segid "    " and resid 99   and name HN  ))
      4.000     2.000     2.000 peak    76 spectrum    1 weight  0.10000E+01 volume  0.37270E-02 ppm1     11.140 ppm2      9.585 CV     1
 ASSI {   79}
   (( segid "    " and resid 98   and name HN  ))
   (( segid "    " and resid 97   and name HA  ))
      2.500     0.800     0.800 peak    79 spectrum    1 weight  0.10000E+01 volume  0.10378E-01 ppm1     11.142 ppm2      5.537 CV     1
 ASSI {   81}
   (( segid "    " and resid 98   and name HN  ))
   (( segid "    " and resid 98   and name HA  ))
      3.900     1.900     1.900 peak    81 spectrum    1 weight  0.10000E+01 volume  0.76612E-03 ppm1     11.140 ppm2      4.168 CV     1
 ASSI {   82}
   (( segid "    " and resid 98   and name HN  ))
   (( segid "    " and resid 98   and name HB  ))
      2.500     0.800     0.800 peak    82 spectrum    1 weight  0.10000E+01 volume  0.74958E-02 ppm1     11.145 ppm2      2.108 CV     1
 ASSI {   83}
   (( segid "    " and resid 98   and name HN  ))
   (( segid "    " and resid 98   and name HG12))
      3.100     1.200     1.200 peak    83 spectrum    1 weight  0.10000E+01 volume  0.61779E-02 ppm1     11.139 ppm2      1.864 CV     1
 ASSI {   84}
   (( segid "    " and resid 98   and name HN  ))
   (( segid "    " and resid 98   and name HG11))
      3.000     1.100     1.100 peak    84 spectrum    1 weight  0.10000E+01 volume  0.13047E-01 ppm1     11.143 ppm2      0.965 CV     1
 ASSI {   85}
   (( segid "    " and resid 98   and name HN  ))
   (  segid "    " and resid 98   and name HG2%)
      3.800     1.800     1.800 peak    85 spectrum    1 weight  0.10000E+01 volume  0.66400E-02 ppm1     11.143 ppm2      0.818 CV     1
 ASSI {   87}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 61   and name HG2 ))
      5.100     3.300     0.900 peak    87 spectrum    1 weight  0.10000E+01 volume  0.22188E-02 ppm1      8.795 ppm2      2.218 CV     1
 ASSI {   88}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 61   and name HB1 ))
      2.500     0.800     0.800 peak    88 spectrum    1 weight  0.10000E+01 volume  0.20427E-01 ppm1      8.795 ppm2      1.327 CV     1
 ASSI {   90}
   (( segid "    " and resid 132  and name HN  ))
   (( segid "    " and resid 131  and name HA  ))
      3.300     1.400     1.400 peak    90 spectrum    1 weight  0.10000E+01 volume  0.63261E-02 ppm1      8.300 ppm2      4.497 CV     1
 ASSI {   91}
   (( segid "    " and resid 132  and name HN  ))
   (( segid "    " and resid 133  and name HD1 ))
      2.900     1.100     1.100 peak    91 spectrum    1 weight  0.10000E+01 volume  0.50241E-02 ppm1      8.298 ppm2      3.425 CV     1
 ASSI {   92}
   (( segid "    " and resid 132  and name HN  ))
   (( segid "    " and resid 133  and name HD2 ))
      4.000     2.000     2.000 peak    92 spectrum    1 weight  0.10000E+01 volume  0.61311E-02 ppm1      8.299 ppm2      3.116 CV     1
 ASSI {   95}
   (( segid "    " and resid 132  and name HN  ))
   (( segid "    " and resid 131  and name HG11))
      2.600     0.800     0.800 peak    95 spectrum    1 weight  0.10000E+01 volume  0.12151E-01 ppm1      8.300 ppm2      1.653 CV     1
 OR {   95}
   (( segid "    " and resid 132  and name HN  ))
   (( segid "    " and resid 131  and name HG12))
 ASSI {   96}
   (( segid "    " and resid 132  and name HN  ))
   (( segid "    " and resid 128  and name HB1 ))
      3.500     1.500     1.500 peak    96 spectrum    1 weight  0.10000E+01 volume  0.62634E-02 ppm1      8.299 ppm2      1.254 CV     1
 ASSI {   97}
   (( segid "    " and resid 132  and name HN  ))
   (  segid "    " and resid 131  and name HG2%)
      3.800     1.800     1.800 peak    97 spectrum    1 weight  0.10000E+01 volume  0.12399E-01 ppm1      8.300 ppm2      0.853 CV     1
 ASSI {   98}
   (( segid "    " and resid 113  and name HN  ))
   (  segid "    " and resid 105  and name HG1%)
      4.000     2.000     2.000 peak    98 spectrum    1 weight  0.10000E+01 volume  0.87008E-02 ppm1      9.393 ppm2      1.029 CV     1
 OR {   98}
   (( segid "    " and resid 113  and name HN  ))
   (  segid "    " and resid 105  and name HG2%)
 ASSI {   99}
   (( segid "    " and resid 113  and name HN  ))
   (( segid "    " and resid 105  and name HA  ))
      4.900     3.000     1.100 peak    99 spectrum    1 weight  0.10000E+01 volume  0.28204E-02 ppm1      9.382 ppm2      4.648 CV     1
 ASSI {  101}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 31   and name HA  ))
      5.700     4.100     0.300 peak   101 spectrum    1 weight  0.10000E+01 volume  0.85074E-03 ppm1      8.795 ppm2      5.935 CV     1
 ASSI {  106}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 60   and name HB2 ))
      3.700     1.700     1.700 peak   106 spectrum    1 weight  0.10000E+01 volume  0.95635E-02 ppm1      8.794 ppm2      1.012 CV     1
 ASSI {  107}
   (( segid "    " and resid 2    and name HN  ))
   (( segid "    " and resid 62   and name HN  ))
      3.300     3.300     2.700 peak   107 spectrum    1 weight  0.10000E+01 volume  0.14261E-01 ppm1      8.788 ppm2      9.219 CV     1
 ASSI {  109}
   (( segid "    " and resid 2    and name HN  ))
   (( segid "    " and resid 102  and name HA2 ))
      3.100     1.200     1.200 peak   109 spectrum    1 weight  0.10000E+01 volume  0.14869E-01 ppm1      8.785 ppm2      3.870 CV     1
 OR {  109}
   (( segid "    " and resid 2    and name HN  ))
   (( segid "    " and resid 102  and name HA1 ))
 ASSI {  111}
   (( segid "    " and resid 158  and name HN  ))
   (( segid "    " and resid 41   and name HN  ))
      3.400     1.500     1.500 peak   111 spectrum    1 weight  0.10000E+01 volume  0.59988E-02 ppm1      8.662 ppm2      8.821 CV     1
 ASSI {  113}
   (( segid "    " and resid 158  and name HN  ))
   (( segid "    " and resid 158  and name HE3 ))
      5.400     3.600     0.600 peak   113 spectrum    1 weight  0.10000E+01 volume  0.95154E-03 ppm1      8.661 ppm2      7.390 CV     1
 ASSI {  114}
   (( segid "    " and resid 158  and name HN  ))
   (( segid "    " and resid 158  and name HD1 ))
      5.400     3.600     0.600 peak   114 spectrum    1 weight  0.10000E+01 volume  0.15932E-02 ppm1      8.665 ppm2      7.268 CV     1
 ASSI {  115}
   (( segid "    " and resid 158  and name HN  ))
   (  segid "    " and resid 40   and name HD% )
      2.600     2.600     3.400 peak   115 spectrum    1 weight  0.10000E+01 volume  0.33005E-02 ppm1      8.660 ppm2      7.034 CV     1
 ASSI {  116}
   (( segid "    " and resid 158  and name HN  ))
   (( segid "    " and resid 40   and name HA  ))
      2.800     1.000     1.000 peak   116 spectrum    1 weight  0.10000E+01 volume  0.10722E-01 ppm1      8.662 ppm2      5.252 CV     1
 ASSI {  117}
   (( segid "    " and resid 158  and name HN  ))
   (( segid "    " and resid 157  and name HA  ))
      2.300     0.600     0.600 peak   117 spectrum    1 weight  0.10000E+01 volume  0.15192E-01 ppm1      8.660 ppm2      4.497 CV     1
 ASSI {  118}
   (( segid "    " and resid 158  and name HN  ))
   (( segid "    " and resid 158  and name HA  ))
      3.000     1.100     1.100 peak   118 spectrum    1 weight  0.10000E+01 volume  0.44215E-02 ppm1      8.659 ppm2      3.960 CV     1
 ASSI {  119}
   (( segid "    " and resid 158  and name HN  ))
   (( segid "    " and resid 39   and name HB2 ))
      4.400     2.400     1.600 peak   119 spectrum    1 weight  0.10000E+01 volume  0.10135E-02 ppm1      8.662 ppm2      3.365 CV     1
 ASSI {  120}
   (( segid "    " and resid 158  and name HN  ))
   (( segid "    " and resid 158  and name HB2 ))
      2.600     0.800     0.800 peak   120 spectrum    1 weight  0.10000E+01 volume  0.11546E-01 ppm1      8.661 ppm2      3.059 CV     1
 ASSI {  122}
   (( segid "    " and resid 158  and name HN  ))
   (( segid "    " and resid 157  and name HB1 ))
      3.000     1.100     1.100 peak   122 spectrum    1 weight  0.10000E+01 volume  0.10559E-01 ppm1      8.663 ppm2      1.834 CV     1
 ASSI {  123}
   (( segid "    " and resid 158  and name HN  ))
   (( segid "    " and resid 157  and name HG2 ))
      3.600     1.600     1.600 peak   123 spectrum    1 weight  0.10000E+01 volume  0.10974E-01 ppm1      8.662 ppm2      1.658 CV     1
 ASSI {  124}
   (( segid "    " and resid 158  and name HN  ))
   (( segid "    " and resid 41   and name HG1 ))
      3.800     1.800     1.800 peak   124 spectrum    1 weight  0.10000E+01 volume  0.53945E-02 ppm1      8.663 ppm2      1.301 CV     1
 ASSI {  125}
   (( segid "    " and resid 158  and name HN  ))
   (( segid "    " and resid 157  and name HB2 ))
      4.700     2.800     1.300 peak   125 spectrum    1 weight  0.10000E+01 volume  0.24246E-02 ppm1      8.656 ppm2      1.988 CV     1
 ASSI {  126}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 60   and name HN  ))
      4.500     2.500     1.500 peak   126 spectrum    1 weight  0.10000E+01 volume  0.17665E-02 ppm1      8.536 ppm2      9.314 CV     1
 ASSI {  127}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 37   and name HN  ))
      4.200     2.200     1.800 peak   127 spectrum    1 weight  0.10000E+01 volume  0.59020E-02 ppm1      8.534 ppm2      9.122 CV     1
 ASSI {  129}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 132  and name HN  ))
      3.600     1.600     1.600 peak   129 spectrum    1 weight  0.10000E+01 volume  0.21616E-02 ppm1      8.533 ppm2      8.337 CV     1
 ASSI {  132}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 58   and name HA  ))
      2.200     0.600     0.600 peak   132 spectrum    1 weight  0.10000E+01 volume  0.30503E-01 ppm1      8.534 ppm2      5.021 CV     1
 ASSI {  135}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 58   and name HB  ))
      3.200     1.300     1.300 peak   135 spectrum    1 weight  0.10000E+01 volume  0.81590E-02 ppm1      8.535 ppm2      1.973 CV     1
 ASSI {  140}
   (( segid "    " and resid 59   and name HN  ))
   (  segid "    " and resid 58   and name HG2%)
      2.800     1.000     1.000 peak   140 spectrum    1 weight  0.10000E+01 volume  0.31793E-01 ppm1      8.534 ppm2      0.990 CV     1
 OR {  140}
   (( segid "    " and resid 59   and name HN  ))
   (  segid "    " and resid 58   and name HG1%)
 ASSI {  141}
   (( segid "    " and resid 59   and name HN  ))
   (  segid "    " and resid 131  and name HG2%)
      3.000     1.100     1.100 peak   141 spectrum    1 weight  0.10000E+01 volume  0.12635E-01 ppm1      8.534 ppm2      0.873 CV     1
 OR {  141}
   (( segid "    " and resid 59   and name HN  ))
   (  segid "    " and resid 131  and name HD1%)
 ASSI {  143}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 131  and name HA  ))
      5.300     3.600     0.700 peak   143 spectrum    1 weight  0.10000E+01 volume  0.16070E-02 ppm1      8.524 ppm2      4.536 CV     1
 ASSI {  149}
   (( segid "    " and resid 99   and name HN  ))
   (( segid "    " and resid 99   and name HA  ))
      3.900     1.900     1.900 peak   149 spectrum    1 weight  0.10000E+01 volume  0.15664E-02 ppm1      9.591 ppm2      4.565 CV     1
 ASSI {  150}
   (( segid "    " and resid 99   and name HN  ))
   (( segid "    " and resid 98   and name HA  ))
      2.500     0.800     0.800 peak   150 spectrum    1 weight  0.10000E+01 volume  0.87644E-02 ppm1      9.592 ppm2      4.169 CV     1
 ASSI {  152}
   (( segid "    " and resid 99   and name HN  ))
   (( segid "    " and resid 99   and name HB2 ))
      2.800     1.000     1.000 peak   152 spectrum    1 weight  0.10000E+01 volume  0.56756E-02 ppm1      9.592 ppm2      2.279 CV     1
 ASSI {  153}
   (( segid "    " and resid 99   and name HN  ))
   (( segid "    " and resid 98   and name HB  ))
      3.800     1.800     1.800 peak   153 spectrum    1 weight  0.10000E+01 volume  0.60094E-02 ppm1      9.592 ppm2      2.093 CV     1
 ASSI {  155}
   (( segid "    " and resid 99   and name HN  ))
   (( segid "    " and resid 98   and name HG11))
      3.800     1.800     1.800 peak   155 spectrum    1 weight  0.10000E+01 volume  0.12661E-01 ppm1      9.591 ppm2      0.977 CV     1
 ASSI {  159}
   (( segid "    " and resid 113  and name HN  ))
   (( segid "    " and resid 107  and name HA  ))
      3.600     1.600     1.600 peak   159 spectrum    1 weight  0.10000E+01 volume  0.45413E-02 ppm1      9.389 ppm2      5.511 CV     1
 ASSI {  160}
   (( segid "    " and resid 113  and name HN  ))
   (( segid "    " and resid 112  and name HA  ))
      2.300     0.700     0.700 peak   160 spectrum    1 weight  0.10000E+01 volume  0.17940E-01 ppm1      9.391 ppm2      5.239 CV     1
 ASSI {  162}
   (( segid "    " and resid 113  and name HN  ))
   (( segid "    " and resid 113  and name HA  ))
      3.000     1.100     1.100 peak   162 spectrum    1 weight  0.10000E+01 volume  0.57171E-02 ppm1      9.393 ppm2      4.330 CV     1
 ASSI {  163}
   (( segid "    " and resid 113  and name HN  ))
   (( segid "    " and resid 113  and name HB  ))
      2.700     0.900     0.900 peak   163 spectrum    1 weight  0.10000E+01 volume  0.68870E-02 ppm1      9.389 ppm2      1.871 CV     1
 ASSI {  164}
   (( segid "    " and resid 113  and name HN  ))
   (  segid "    " and resid 112  and name HG2%)
      3.900     1.900     1.900 peak   164 spectrum    1 weight  0.10000E+01 volume  0.17698E-01 ppm1      9.390 ppm2      1.446 CV     1
 ASSI {  165}
   (( segid "    " and resid 113  and name HN  ))
   (  segid "    " and resid 113  and name HG2%)
      3.600     1.600     1.600 peak   165 spectrum    1 weight  0.10000E+01 volume  0.10956E-01 ppm1      9.393 ppm2      0.919 CV     1
 ASSI {  168}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 61   and name HN  ))
      3.200     1.300     1.300 peak   168 spectrum    1 weight  0.10000E+01 volume  0.40141E-02 ppm1      9.171 ppm2      8.796 CV     1
 ASSI {  170}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 61   and name HA  ))
      3.800     1.800     1.800 peak   170 spectrum    1 weight  0.10000E+01 volume  0.92737E-02 ppm1      9.168 ppm2      4.754 CV     1
 ASSI {  171}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 34   and name HA  ))
      3.100     1.200     1.200 peak   171 spectrum    1 weight  0.10000E+01 volume  0.71199E-02 ppm1      9.171 ppm2      4.518 CV     1
 ASSI {  177}
   (( segid "    " and resid 34   and name HN  ))
   (  segid "    " and resid 60   and name HD1%)
      3.800     3.800     2.200 peak   177 spectrum    1 weight  0.10000E+01 volume  0.14871E-01 ppm1      9.172 ppm2      0.752 CV     1
 ASSI {  179}
   (( segid "    " and resid 2    and name HN  ))
   (( segid "    " and resid 2    and name HA  ))
      2.900     1.100     1.100 peak   179 spectrum    1 weight  0.10000E+01 volume  0.79870E-02 ppm1      8.776 ppm2      4.211 CV     1
 ASSI {  180}
   (( segid "    " and resid 2    and name HN  ))
   (  segid "    " and resid 2    and name HG2%)
      2.700     0.900     0.900 peak   180 spectrum    1 weight  0.10000E+01 volume  0.20292E-01 ppm1      8.776 ppm2      0.770 CV     1
 ASSI {  181}
   (( segid "    " and resid 2    and name HN  ))
   (  segid "    " and resid 2    and name HG1%)
      3.900     1.900     1.900 peak   181 spectrum    1 weight  0.10000E+01 volume  0.75682E-02 ppm1      8.778 ppm2      0.124 CV     1
 ASSI {  183}
   (( segid "    " and resid 2    and name HN  ))
   (( segid "    " and resid 1    and name HA  ))
      2.300     0.700     0.700 peak   183 spectrum    1 weight  0.10000E+01 volume  0.22079E-01 ppm1      8.775 ppm2      3.628 CV     1
 ASSI {  184}
   (( segid "    " and resid 2    and name HN  ))
   (( segid "    " and resid 2    and name HB  ))
      2.500     0.800     0.800 peak   184 spectrum    1 weight  0.10000E+01 volume  0.20198E-01 ppm1      8.774 ppm2      1.761 CV     1
 ASSI {  185}
   (( segid "    " and resid 2    and name HN  ))
   (( segid "    " and resid 1    and name HG21))
      2.700     0.900     0.900 peak   185 spectrum    1 weight  0.10000E+01 volume  0.17330E-01 ppm1      8.775 ppm2      0.546 CV     1
 ASSI {  194}
   (( segid "    " and resid 99   and name HN  ))
   (( segid "    " and resid 5    and name HG12))
      5.000     3.200     1.000 peak   194 spectrum    1 weight  0.10000E+01 volume  0.65239E-03 ppm1      9.590 ppm2      1.598 CV     1
 OR {  194}
   (( segid "    " and resid 99   and name HN  ))
   (( segid "    " and resid 5    and name HG11))
 ASSI {  196}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 60   and name HB1 ))
      2.400     0.700     0.700 peak   196 spectrum    1 weight  0.10000E+01 volume  0.10322E-01 ppm1      9.325 ppm2      1.839 CV     1
 ASSI {  201}
   (( segid "    " and resid 60   and name HN  ))
   (  segid "    " and resid 2    and name HG1%)
      3.500     1.500     1.500 peak   201 spectrum    1 weight  0.10000E+01 volume  0.61957E-02 ppm1      9.325 ppm2      0.124 CV     1
 ASSI {  202}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 4    and name HA  ))
      3.700     1.800     1.800 peak   202 spectrum    1 weight  0.10000E+01 volume  0.32767E-02 ppm1      9.322 ppm2      5.554 CV     1
 ASSI {  203}
   (( segid "    " and resid 136  and name HN  ))
   (( segid "    " and resid 136  and name HA  ))
      3.100     1.200     1.200 peak   203 spectrum    1 weight  0.10000E+01 volume  0.41647E-02 ppm1      8.395 ppm2      4.519 CV     1
 ASSI {  204}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 61   and name HN  ))
      4.100     2.100     1.900 peak   204 spectrum    1 weight  0.10000E+01 volume  0.30583E-02 ppm1      9.329 ppm2      8.792 CV     1
 ASSI {  206}
   (( segid "    " and resid 60   and name HN  ))
   (  segid "    " and resid 4    and name HD% )
      2.900     2.900     3.100 peak   206 spectrum    1 weight  0.10000E+01 volume  0.17628E-02 ppm1      9.329 ppm2      6.820 CV     1
 ASSI {  207}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 59   and name HA  ))
      2.200     0.600     0.600 peak   207 spectrum    1 weight  0.10000E+01 volume  0.25368E-01 ppm1      9.326 ppm2      4.831 CV     1
 ASSI {  208}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 2    and name HA  ))
      5.000     3.100     1.000 peak   208 spectrum    1 weight  0.10000E+01 volume  0.18966E-02 ppm1      9.325 ppm2      4.214 CV     1
 ASSI {  217}
   (( segid "    " and resid 107  and name HN  ))
   (( segid "    " and resid 107  and name HB1 ))
      3.100     1.200     1.200 peak   217 spectrum    1 weight  0.10000E+01 volume  0.29502E-01 ppm1      9.223 ppm2      2.688 CV     1
 ASSI {  219}
   (( segid "    " and resid 95   and name HN  ))
   (( segid "    " and resid 96   and name HB2 ))
      4.000     2.000     2.000 peak   219 spectrum    1 weight  0.10000E+01 volume  0.39434E-02 ppm1      9.221 ppm2      2.189 CV     1
 ASSI {  220}
   (( segid "    " and resid 95   and name HN  ))
   (( segid "    " and resid 77   and name HG2 ))
      3.800     1.800     1.800 peak   220 spectrum    1 weight  0.10000E+01 volume  0.32831E-02 ppm1      9.226 ppm2      1.999 CV     1
 ASSI {  221}
   (( segid "    " and resid 107  and name HN  ))
   (( segid "    " and resid 113  and name HB  ))
      4.500     2.500     1.500 peak   221 spectrum    1 weight  0.10000E+01 volume  0.23905E-02 ppm1      9.222 ppm2      1.908 CV     1
 ASSI {  224}
   (( segid "    " and resid 107  and name HN  ))
   (( segid "    " and resid 107  and name HD21))
      3.900     1.900     1.900 peak   224 spectrum    1 weight  0.10000E+01 volume  0.18211E-02 ppm1      9.216 ppm2      7.808 CV     1
 ASSI {  225}
   (( segid "    " and resid 107  and name HN  ))
   (( segid "    " and resid 106  and name HA  ))
      2.200     0.600     0.600 peak   225 spectrum    1 weight  0.10000E+01 volume  0.35916E-01 ppm1      9.216 ppm2      4.310 CV     1
 ASSI {  227}
   (( segid "    " and resid 107  and name HN  ))
   (  segid "    " and resid 108  and name HG2%)
      3.200     3.200     2.800 peak   227 spectrum    1 weight  0.10000E+01 volume  0.11388E-01 ppm1      9.215 ppm2      1.216 CV     1
 ASSI {  229}
   (( segid "    " and resid 143  and name HN  ))
   (( segid "    " and resid 133  and name HB1 ))
      4.800     2.900     1.200 peak   229 spectrum    1 weight  0.10000E+01 volume  0.40696E-02 ppm1      8.452 ppm2      1.517 CV     1
 ASSI {  233}
   (( segid "    " and resid 143  and name HN  ))
   (( segid "    " and resid 142  and name HA  ))
      2.100     0.600     0.600 peak   233 spectrum    1 weight  0.10000E+01 volume  0.24789E-01 ppm1      8.448 ppm2      4.799 CV     1
 ASSI {  234}
   (( segid "    " and resid 143  and name HN  ))
   (( segid "    " and resid 136  and name HA  ))
      3.500     1.600     1.600 peak   234 spectrum    1 weight  0.10000E+01 volume  0.86000E-02 ppm1      8.447 ppm2      4.519 CV     1
 ASSI {  235}
   (( segid "    " and resid 143  and name HN  ))
   (( segid "    " and resid 143  and name HA  ))
      3.000     1.100     1.100 peak   235 spectrum    1 weight  0.10000E+01 volume  0.54253E-02 ppm1      8.446 ppm2      4.085 CV     1
 ASSI {  238}
   (( segid "    " and resid 143  and name HN  ))
   (( segid "    " and resid 142  and name HG2 ))
      4.500     2.600     1.500 peak   238 spectrum    1 weight  0.10000E+01 volume  0.26280E-02 ppm1      8.446 ppm2      2.654 CV     1
 ASSI {  239}
   (( segid "    " and resid 143  and name HN  ))
   (( segid "    " and resid 143  and name HB2 ))
      2.300     0.700     0.700 peak   239 spectrum    1 weight  0.10000E+01 volume  0.12642E-01 ppm1      8.449 ppm2      2.221 CV     1
 ASSI {  240}
   (( segid "    " and resid 143  and name HN  ))
   (( segid "    " and resid 136  and name HB  ))
      2.600     2.600     3.400 peak   240 spectrum    1 weight  0.10000E+01 volume  0.32080E-02 ppm1      8.441 ppm2      1.933 CV     1
 ASSI {  241}
   (( segid "    " and resid 143  and name HN  ))
   (( segid "    " and resid 135  and name HB1 ))
      3.400     1.500     1.500 peak   241 spectrum    1 weight  0.10000E+01 volume  0.33568E-02 ppm1      8.446 ppm2      1.767 CV     1
 ASSI {  242}
   (( segid "    " and resid 143  and name HN  ))
   (( segid "    " and resid 135  and name HB2 ))
      3.200     1.300     1.300 peak   242 spectrum    1 weight  0.10000E+01 volume  0.11548E-01 ppm1      8.448 ppm2      1.335 CV     1
 ASSI {  245}
   (( segid "    " and resid 143  and name HN  ))
   (  segid "    " and resid 135  and name HD1%)
      3.800     3.800     2.200 peak   245 spectrum    1 weight  0.10000E+01 volume  0.40568E-02 ppm1      8.448 ppm2      0.110 CV     1
 ASSI {  247}
   (( segid "    " and resid 136  and name HN  ))
   (( segid "    " and resid 135  and name HN  ))
      4.400     2.400     1.600 peak   247 spectrum    1 weight  0.10000E+01 volume  0.38744E-02 ppm1      8.393 ppm2      7.212 CV     1
 ASSI {  248}
   (( segid "    " and resid 136  and name HN  ))
   (( segid "    " and resid 135  and name HA  ))
      2.300     0.600     0.600 peak   248 spectrum    1 weight  0.10000E+01 volume  0.28830E-01 ppm1      8.393 ppm2      3.846 CV     1
 ASSI {  249}
   (( segid "    " and resid 136  and name HN  ))
   (( segid "    " and resid 136  and name HB  ))
      3.000     1.100     1.100 peak   249 spectrum    1 weight  0.10000E+01 volume  0.11864E-01 ppm1      8.393 ppm2      1.942 CV     1
 ASSI {  250}
   (( segid "    " and resid 136  and name HN  ))
   (( segid "    " and resid 135  and name HB1 ))
      3.700     1.700     1.700 peak   250 spectrum    1 weight  0.10000E+01 volume  0.73447E-02 ppm1      8.392 ppm2      1.724 CV     1
 ASSI {  251}
   (( segid "    " and resid 136  and name HN  ))
   (( segid "    " and resid 135  and name HG  ))
      3.200     1.300     1.300 peak   251 spectrum    1 weight  0.10000E+01 volume  0.16573E-01 ppm1      8.393 ppm2      1.256 CV     1
 ASSI {  252}
   (( segid "    " and resid 136  and name HN  ))
   (  segid "    " and resid 136  and name HG1%)
      2.600     0.900     0.900 peak   252 spectrum    1 weight  0.10000E+01 volume  0.20986E-01 ppm1      8.393 ppm2      1.035 CV     1
 OR {  252}
   (( segid "    " and resid 136  and name HN  ))
   (  segid "    " and resid 136  and name HG2%)
 ASSI {  254}
   (( segid "    " and resid 136  and name HN  ))
   (  segid "    " and resid 135  and name HD1%)
      3.800     1.800     1.800 peak   254 spectrum    1 weight  0.10000E+01 volume  0.48752E-02 ppm1      8.393 ppm2      0.110 CV     1
 ASSI {  258}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 82   and name HA  ))
      2.500     0.800     0.800 peak   258 spectrum    1 weight  0.10000E+01 volume  0.19935E-01 ppm1      8.231 ppm2      4.377 CV     1
 ASSI {  261}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 83   and name HB  ))
      2.600     0.900     0.900 peak   261 spectrum    1 weight  0.10000E+01 volume  0.11801E-01 ppm1      8.231 ppm2      2.108 CV     1
 ASSI {  262}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 82   and name HG1 ))
      3.100     1.200     1.200 peak   262 spectrum    1 weight  0.10000E+01 volume  0.52701E-02 ppm1      8.234 ppm2      1.801 CV     1
 ASSI {  263}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 82   and name HB2 ))
      3.000     1.100     1.100 peak   263 spectrum    1 weight  0.10000E+01 volume  0.65089E-02 ppm1      8.229 ppm2      1.592 CV     1
 OR {  263}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 82   and name HB1 ))
 ASSI {  264}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 82   and name HG2 ))
      3.700     1.700     1.700 peak   264 spectrum    1 weight  0.10000E+01 volume  0.77194E-02 ppm1      8.232 ppm2      1.396 CV     1
 ASSI {  265}
   (( segid "    " and resid 83   and name HN  ))
   (  segid "    " and resid 83   and name HG2%)
      2.800     1.000     1.000 peak   265 spectrum    1 weight  0.10000E+01 volume  0.21062E-01 ppm1      8.232 ppm2      0.983 CV     1
 OR {  265}
   (( segid "    " and resid 83   and name HN  ))
   (  segid "    " and resid 83   and name HG1%)
 ASSI {  267}
   (( segid "    " and resid 107  and name HN  ))
   (( segid "    " and resid 108  and name HN  ))
      3.900     1.900     1.900 peak   267 spectrum    1 weight  0.10000E+01 volume  0.77717E-02 ppm1      9.216 ppm2      8.981 CV     1
 ASSI {  268}
   (( segid "    " and resid 95   and name HN  ))
   (( segid "    " and resid 8    and name HN  ))
      2.800     0.900     0.900 peak   268 spectrum    1 weight  0.10000E+01 volume  0.65943E-02 ppm1      9.211 ppm2      8.735 CV     1
 ASSI {  269}
   (( segid "    " and resid 107  and name HN  ))
   (( segid "    " and resid 107  and name HA  ))
      3.000     1.100     1.100 peak   269 spectrum    1 weight  0.10000E+01 volume  0.82728E-02 ppm1      9.216 ppm2      5.512 CV     1
 ASSI {  273}
   (( segid "    " and resid 107  and name HN  ))
   (  segid "    " and resid 105  and name HG1%)
      3.600     3.600     2.400 peak   273 spectrum    1 weight  0.10000E+01 volume  0.81311E-02 ppm1      9.214 ppm2      1.047 CV     1
 OR {  273}
   (( segid "    " and resid 107  and name HN  ))
   (  segid "    " and resid 105  and name HG2%)
 ASSI {  277}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 83   and name HB  ))
      4.400     2.500     1.600 peak   277 spectrum    1 weight  0.10000E+01 volume  0.32318E-02 ppm1      8.803 ppm2      2.100 CV     1
 ASSI {  280}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 84   and name HD1 ))
      4.500     2.500     1.500 peak   280 spectrum    1 weight  0.10000E+01 volume  0.19179E-02 ppm1      8.799 ppm2      3.223 CV     1
 OR {  280}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 84   and name HD2 ))
 ASSI {  281}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 92   and name HG2 ))
      3.000     3.000     3.000 peak   281 spectrum    1 weight  0.10000E+01 volume  0.22398E-01 ppm1      8.800 ppm2      1.833 CV     1
 ASSI {  282}
   (( segid "    " and resid 84   and name HN  ))
   (  segid "    " and resid 83   and name HG1%)
      3.200     1.300     1.300 peak   282 spectrum    1 weight  0.10000E+01 volume  0.10457E-01 ppm1      8.801 ppm2      0.972 CV     1
 OR {  282}
   (( segid "    " and resid 84   and name HN  ))
   (  segid "    " and resid 83   and name HG2%)
 ASSI {  286}
   (( segid "    " and resid 101  and name HN  ))
   (( segid "    " and resid 101  and name HA  ))
      3.200     1.300     1.300 peak   286 spectrum    1 weight  0.10000E+01 volume  0.33236E-02 ppm1      9.848 ppm2      4.569 CV     1
 ASSI {  287}
   (( segid "    " and resid 101  and name HN  ))
   (( segid "    " and resid 101  and name HB2 ))
      2.700     0.900     0.900 peak   287 spectrum    1 weight  0.10000E+01 volume  0.80380E-02 ppm1      9.849 ppm2      3.324 CV     1
 ASSI {  288}
   (( segid "    " and resid 101  and name HN  ))
   (( segid "    " and resid 101  and name HB1 ))
      2.800     1.000     1.000 peak   288 spectrum    1 weight  0.10000E+01 volume  0.61909E-02 ppm1      9.851 ppm2      2.320 CV     1
 ASSI {  290}
   (( segid "    " and resid 101  and name HN  ))
   (( segid "    " and resid 100  and name HB2 ))
      3.700     1.700     1.700 peak   290 spectrum    1 weight  0.10000E+01 volume  0.56280E-02 ppm1      9.854 ppm2      1.806 CV     1
 ASSI {  292}
   (( segid "    " and resid 101  and name HN  ))
   (  segid "    " and resid 113  and name HG1%)
      4.000     2.000     2.000 peak   292 spectrum    1 weight  0.10000E+01 volume  0.15086E-01 ppm1      9.851 ppm2      1.163 CV     1
 ASSI {  294}
   (( segid "    " and resid 101  and name HN  ))
   (  segid "    " and resid 113  and name HG2%)
      3.900     1.900     1.900 peak   294 spectrum    1 weight  0.10000E+01 volume  0.39087E-02 ppm1      9.851 ppm2      0.908 CV     1
 ASSI {  296}
   (( segid "    " and resid 97   and name HN  ))
   (( segid "    " and resid 6    and name HN  ))
      3.200     1.300     1.300 peak   296 spectrum    1 weight  0.10000E+01 volume  0.47733E-02 ppm1      8.999 ppm2      9.989 CV     1
 ASSI {  299}
   (( segid "    " and resid 97   and name HN  ))
   (( segid "    " and resid 97   and name HA  ))
      3.100     1.200     1.200 peak   299 spectrum    1 weight  0.10000E+01 volume  0.52852E-02 ppm1      8.998 ppm2      5.538 CV     1
 ASSI {  300}
   (( segid "    " and resid 97   and name HN  ))
   (( segid "    " and resid 96   and name HA  ))
      2.400     0.700     0.700 peak   300 spectrum    1 weight  0.10000E+01 volume  0.16102E-01 ppm1      8.998 ppm2      5.372 CV     1
 ASSI {  303}
   (( segid "    " and resid 97   and name HN  ))
   (( segid "    " and resid 96   and name HB2 ))
      3.800     1.800     1.800 peak   303 spectrum    1 weight  0.10000E+01 volume  0.49328E-02 ppm1      9.001 ppm2      2.147 CV     1
 ASSI {  304}
   (( segid "    " and resid 97   and name HN  ))
   (( segid "    " and resid 70   and name HG  ))
      5.400     3.600     0.600 peak   304 spectrum    1 weight  0.10000E+01 volume  0.12055E-02 ppm1      8.999 ppm2      1.371 CV     1
 ASSI {  305}
   (( segid "    " and resid 97   and name HN  ))
   (( segid "    " and resid 96   and name HB1 ))
      3.700     1.800     1.800 peak   305 spectrum    1 weight  0.10000E+01 volume  0.15391E-01 ppm1      8.998 ppm2      0.956 CV     1
 ASSI {  306}
   (( segid "    " and resid 97   and name HN  ))
   (  segid "    " and resid 5    and name HG2%)
      2.600     0.800     0.800 peak   306 spectrum    1 weight  0.10000E+01 volume  0.15849E-01 ppm1      8.998 ppm2      0.854 CV     1
 ASSI {  307}
   (( segid "    " and resid 97   and name HN  ))
   (( segid "    " and resid 97   and name HB2 ))
      3.100     1.200     1.200 peak   307 spectrum    1 weight  0.10000E+01 volume  0.57951E-02 ppm1      8.996 ppm2      2.527 CV     1
 ASSI {  308}
   (( segid "    " and resid 97   and name HN  ))
   (  segid "    " and resid 6    and name HB% )
      3.300     1.400     1.400 peak   308 spectrum    1 weight  0.10000E+01 volume  0.76661E-02 ppm1      8.997 ppm2      1.775 CV     1
 ASSI {  309}
   (( segid "    " and resid 97   and name HN  ))
   (( segid "    " and resid 96   and name HG  ))
      4.400     2.400     1.600 peak   309 spectrum    1 weight  0.10000E+01 volume  0.21075E-02 ppm1      8.994 ppm2      1.654 CV     1
 ASSI {  310}
   (( segid "    " and resid 97   and name HN  ))
   (( segid "    " and resid 5    and name HG12))
      4.500     2.600     1.500 peak   310 spectrum    1 weight  0.10000E+01 volume  0.22779E-02 ppm1      8.991 ppm2      1.606 CV     1
 OR {  310}
   (( segid "    " and resid 97   and name HN  ))
   (( segid "    " and resid 5    and name HG11))
 ASSI {  312}
   (( segid "    " and resid 88   and name HN  ))
   (( segid "    " and resid 87   and name HN  ))
      3.900     1.900     1.900 peak   312 spectrum    1 weight  0.10000E+01 volume  0.41783E-02 ppm1      8.647 ppm2      8.351 CV     1
 ASSI {  314}
   (( segid "    " and resid 88   and name HN  ))
   (( segid "    " and resid 87   and name HG1 ))
      4.100     2.100     1.900 peak   314 spectrum    1 weight  0.10000E+01 volume  0.43633E-02 ppm1      8.649 ppm2      2.332 CV     1
 OR {  314}
   (( segid "    " and resid 88   and name HN  ))
   (( segid "    " and resid 87   and name HG2 ))
 ASSI {  315}
   (( segid "    " and resid 88   and name HN  ))
   (( segid "    " and resid 87   and name HB1 ))
      4.000     2.000     2.000 peak   315 spectrum    1 weight  0.10000E+01 volume  0.67089E-02 ppm1      8.649 ppm2      1.997 CV     1
 OR {  315}
   (( segid "    " and resid 88   and name HN  ))
   (( segid "    " and resid 87   and name HB2 ))
 ASSI {  316}
   (( segid "    " and resid 88   and name HN  ))
   (( segid "    " and resid 88   and name HB2 ))
      2.800     1.000     1.000 peak   316 spectrum    1 weight  0.10000E+01 volume  0.96874E-02 ppm1      8.647 ppm2      1.676 CV     1
 ASSI {  319}
   (( segid "    " and resid 88   and name HN  ))
   (( segid "    " and resid 89   and name HN  ))
      4.100     2.100     1.900 peak   319 spectrum    1 weight  0.10000E+01 volume  0.96106E-03 ppm1      8.645 ppm2      9.339 CV     1
 ASSI {  322}
   (( segid "    " and resid 88   and name HN  ))
   (( segid "    " and resid 88   and name HD2 ))
      5.900     4.300     0.100 peak   322 spectrum    1 weight  0.10000E+01 volume  0.71675E-03 ppm1      8.644 ppm2      2.905 CV     1
 ASSI {  325}
   (( segid "    " and resid 112  and name HN  ))
   (( segid "    " and resid 113  and name HN  ))
      4.500     2.500     1.500 peak   325 spectrum    1 weight  0.10000E+01 volume  0.18742E-02 ppm1      9.760 ppm2      9.375 CV     1
 ASSI {  327}
   (( segid "    " and resid 112  and name HN  ))
   (( segid "    " and resid 71   and name HN  ))
      2.700     2.700     3.300 peak   327 spectrum    1 weight  0.10000E+01 volume  0.24222E-02 ppm1      9.759 ppm2      7.770 CV     1
 ASSI {  330}
   (( segid "    " and resid 112  and name HN  ))
   (( segid "    " and resid 112  and name HA  ))
      3.000     1.200     1.200 peak   330 spectrum    1 weight  0.10000E+01 volume  0.49451E-02 ppm1      9.761 ppm2      5.235 CV     1
 ASSI {  332}
   (( segid "    " and resid 112  and name HN  ))
   (( segid "    " and resid 112  and name HB  ))
      3.200     1.300     1.300 peak   332 spectrum    1 weight  0.10000E+01 volume  0.96384E-02 ppm1      9.760 ppm2      4.363 CV     1
 ASSI {  333}
   (( segid "    " and resid 112  and name HN  ))
   (( segid "    " and resid 111  and name HA  ))
      2.200     0.600     0.600 peak   333 spectrum    1 weight  0.10000E+01 volume  0.21565E-01 ppm1      9.761 ppm2      3.901 CV     1
 ASSI {  334}
   (( segid "    " and resid 112  and name HN  ))
   (  segid "    " and resid 112  and name HG2%)
      3.500     1.600     1.600 peak   334 spectrum    1 weight  0.10000E+01 volume  0.73197E-02 ppm1      9.761 ppm2      1.443 CV     1
 ASSI {  335}
   (( segid "    " and resid 112  and name HN  ))
   (( segid "    " and resid 70   and name HG  ))
      3.700     1.700     1.700 peak   335 spectrum    1 weight  0.10000E+01 volume  0.46273E-02 ppm1      9.760 ppm2      1.380 CV     1
 ASSI {  337}
   (( segid "    " and resid 112  and name HN  ))
   (( segid "    " and resid 111  and name HB1 ))
      3.900     1.900     1.900 peak   337 spectrum    1 weight  0.10000E+01 volume  0.70297E-02 ppm1      9.760 ppm2      0.916 CV     1
 ASSI {  341}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 58   and name HN  ))
      3.100     1.200     1.200 peak   341 spectrum    1 weight  0.10000E+01 volume  0.49076E-02 ppm1      9.494 ppm2      9.076 CV     1
 ASSI {  342}
   (( segid "    " and resid 5    and name HN  ))
   (  segid "    " and resid 4    and name HD% )
      4.600     2.700     1.400 peak   342 spectrum    1 weight  0.10000E+01 volume  0.28160E-02 ppm1      9.497 ppm2      6.833 CV     1
 ASSI {  343}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 4    and name HA  ))
      2.400     0.700     0.700 peak   343 spectrum    1 weight  0.10000E+01 volume  0.15975E-01 ppm1      9.497 ppm2      5.565 CV     1
 ASSI {  344}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 59   and name HA  ))
      3.400     1.500     1.500 peak   344 spectrum    1 weight  0.10000E+01 volume  0.74016E-02 ppm1      9.497 ppm2      4.851 CV     1
 ASSI {  346}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 5    and name HB  ))
      2.800     1.000     1.000 peak   346 spectrum    1 weight  0.10000E+01 volume  0.88958E-02 ppm1      9.495 ppm2      1.762 CV     1
 ASSI {  347}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 5    and name HG11))
      2.800     1.000     1.000 peak   347 spectrum    1 weight  0.10000E+01 volume  0.62463E-02 ppm1      9.495 ppm2      1.575 CV     1
 OR {  347}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 5    and name HG12))
 ASSI {  350}
   (( segid "    " and resid 5    and name HN  ))
   (  segid "    " and resid 5    and name HG2%)
      3.600     1.600     1.600 peak   350 spectrum    1 weight  0.10000E+01 volume  0.15101E-01 ppm1      9.496 ppm2      0.850 CV     1
 ASSI {  351}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 60   and name HN  ))
      3.600     1.600     1.600 peak   351 spectrum    1 weight  0.10000E+01 volume  0.40173E-02 ppm1      9.490 ppm2      9.322 CV     1
 ASSI {  352}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 58   and name HA  ))
      4.300     2.300     1.700 peak   352 spectrum    1 weight  0.10000E+01 volume  0.23285E-02 ppm1      9.489 ppm2      5.017 CV     1
 ASSI {  353}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 4    and name HB1 ))
      3.800     1.800     1.800 peak   353 spectrum    1 weight  0.10000E+01 volume  0.52868E-02 ppm1      9.491 ppm2      2.730 CV     1
 ASSI {  354}
   (( segid "    " and resid 5    and name HN  ))
   (  segid "    " and resid 57   and name HB% )
      4.800     2.900     1.200 peak   354 spectrum    1 weight  0.10000E+01 volume  0.12680E-02 ppm1      9.489 ppm2      1.359 CV     1
 ASSI {  356}
   (( segid "    " and resid 116  and name HN  ))
   (  segid "    " and resid 116  and name HD% )
      2.900     1.000     1.000 peak   356 spectrum    1 weight  0.10000E+01 volume  0.10171E-01 ppm1      8.412 ppm2      6.643 CV     1
 ASSI {  357}
   (( segid "    " and resid 116  and name HN  ))
   (( segid "    " and resid 115  and name HA  ))
      3.000     1.100     1.100 peak   357 spectrum    1 weight  0.10000E+01 volume  0.57633E-02 ppm1      8.412 ppm2      4.588 CV     1
 ASSI {  360}
   (( segid "    " and resid 116  and name HN  ))
   (( segid "    " and resid 116  and name HA  ))
      3.100     1.200     1.200 peak   360 spectrum    1 weight  0.10000E+01 volume  0.57627E-02 ppm1      8.408 ppm2      4.188 CV     1
 ASSI {  361}
   (( segid "    " and resid 116  and name HN  ))
   (( segid "    " and resid 115  and name HB2 ))
      4.200     2.200     1.800 peak   361 spectrum    1 weight  0.10000E+01 volume  0.60823E-02 ppm1      8.409 ppm2      3.013 CV     1
 ASSI {  363}
   (( segid "    " and resid 137  and name HN  ))
   (( segid "    " and resid 137  and name HB1 ))
      3.900     1.900     1.900 peak   363 spectrum    1 weight  0.10000E+01 volume  0.47414E-02 ppm1      9.232 ppm2      3.353 CV     1
 ASSI {  365}
   (( segid "    " and resid 137  and name HN  ))
   (( segid "    " and resid 136  and name HN  ))
      3.700     1.700     1.700 peak   365 spectrum    1 weight  0.10000E+01 volume  0.48689E-02 ppm1      9.227 ppm2      8.408 CV     1
 ASSI {  367}
   (( segid "    " and resid 137  and name HN  ))
   (  segid "    " and resid 137  and name HD% )
      2.400     2.400     3.600 peak   367 spectrum    1 weight  0.10000E+01 volume  0.77578E-02 ppm1      9.228 ppm2      7.328 CV     1
 ASSI {  369}
   (( segid "    " and resid 137  and name HN  ))
   (( segid "    " and resid 142  and name HA  ))
      3.400     1.500     1.500 peak   369 spectrum    1 weight  0.10000E+01 volume  0.49434E-02 ppm1      9.229 ppm2      4.787 CV     1
 ASSI {  370}
   (( segid "    " and resid 137  and name HN  ))
   (( segid "    " and resid 136  and name HA  ))
      2.200     0.600     0.600 peak   370 spectrum    1 weight  0.10000E+01 volume  0.13245E-01 ppm1      9.229 ppm2      4.503 CV     1
 ASSI {  371}
   (( segid "    " and resid 137  and name HN  ))
   (( segid "    " and resid 137  and name HA  ))
      2.800     1.000     1.000 peak   371 spectrum    1 weight  0.10000E+01 volume  0.80183E-02 ppm1      9.229 ppm2      4.311 CV     1
 ASSI {  372}
   (( segid "    " and resid 137  and name HN  ))
   (( segid "    " and resid 138  and name HD1 ))
      4.400     2.400     1.600 peak   372 spectrum    1 weight  0.10000E+01 volume  0.58579E-02 ppm1      9.226 ppm2      4.022 CV     1
 OR {  372}
   (( segid "    " and resid 137  and name HN  ))
   (( segid "    " and resid 138  and name HD2 ))
 ASSI {  373}
   (( segid "    " and resid 137  and name HN  ))
   (( segid "    " and resid 137  and name HB2 ))
      2.700     0.900     0.900 peak   373 spectrum    1 weight  0.10000E+01 volume  0.90856E-02 ppm1      9.229 ppm2      3.260 CV     1
 ASSI {  375}
   (( segid "    " and resid 137  and name HN  ))
   (( segid "    " and resid 136  and name HB  ))
      4.000     2.000     2.000 peak   375 spectrum    1 weight  0.10000E+01 volume  0.63199E-02 ppm1      9.228 ppm2      1.938 CV     1
 ASSI {  376}
   (( segid "    " and resid 137  and name HN  ))
   (  segid "    " and resid 136  and name HG2%)
      2.800     2.800     3.200 peak   376 spectrum    1 weight  0.10000E+01 volume  0.17355E-01 ppm1      9.227 ppm2      1.031 CV     1
 OR {  376}
   (( segid "    " and resid 137  and name HN  ))
   (  segid "    " and resid 136  and name HG1%)
 ASSI {  379}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 158  and name HE3 ))
      4.800     2.800     1.200 peak   379 spectrum    1 weight  0.10000E+01 volume  0.30517E-02 ppm1      8.829 ppm2      7.392 CV     1
 ASSI {  380}
   (( segid "    " and resid 41   and name HN  ))
   (  segid "    " and resid 40   and name HD% )
      4.300     2.300     1.700 peak   380 spectrum    1 weight  0.10000E+01 volume  0.36706E-02 ppm1      8.829 ppm2      7.049 CV     1
 ASSI {  382}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 41   and name HA  ))
      3.500     1.500     1.500 peak   382 spectrum    1 weight  0.10000E+01 volume  0.25790E-02 ppm1      8.832 ppm2      6.085 CV     1
 ASSI {  383}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 40   and name HA  ))
      2.500     0.800     0.800 peak   383 spectrum    1 weight  0.10000E+01 volume  0.12661E-01 ppm1      8.830 ppm2      5.251 CV     1
 ASSI {  384}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 157  and name HA  ))
      3.400     1.500     1.500 peak   384 spectrum    1 weight  0.10000E+01 volume  0.67671E-02 ppm1      8.830 ppm2      4.495 CV     1
 ASSI {  385}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 158  and name HA  ))
      4.300     2.300     1.700 peak   385 spectrum    1 weight  0.10000E+01 volume  0.32657E-02 ppm1      8.831 ppm2      3.961 CV     1
 ASSI {  387}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 41   and name HD2 ))
      4.200     2.200     1.800 peak   387 spectrum    1 weight  0.10000E+01 volume  0.68341E-02 ppm1      8.830 ppm2      2.844 CV     1
 ASSI {  388}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 40   and name HB2 ))
      3.700     1.700     1.700 peak   388 spectrum    1 weight  0.10000E+01 volume  0.77752E-02 ppm1      8.828 ppm2      2.701 CV     1
 ASSI {  389}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 41   and name HB1 ))
      2.600     0.800     0.800 peak   389 spectrum    1 weight  0.10000E+01 volume  0.13940E-01 ppm1      8.829 ppm2      1.739 CV     1
 OR {  389}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 41   and name HB2 ))
 ASSI {  390}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 155  and name HB1 ))
      3.400     1.400     1.400 peak   390 spectrum    1 weight  0.10000E+01 volume  0.10070E-01 ppm1      8.832 ppm2      1.411 CV     1
 OR {  390}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 155  and name HB2 ))
 ASSI {  392}
   (( segid "    " and resid 153  and name HN  ))
   (( segid "    " and resid 154  and name HN  ))
      3.100     1.200     1.200 peak   392 spectrum    1 weight  0.10000E+01 volume  0.68062E-02 ppm1      8.744 ppm2      8.304 CV     1
 ASSI {  393}
   (( segid "    " and resid 153  and name HN  ))
   (( segid "    " and resid 152  and name HN  ))
      3.400     1.400     1.400 peak   393 spectrum    1 weight  0.10000E+01 volume  0.50324E-02 ppm1      8.743 ppm2      7.210 CV     1
 ASSI {  394}
   (( segid "    " and resid 153  and name HN  ))
   (  segid "    " and resid 152  and name HD% )
      3.700     1.700     1.700 peak   394 spectrum    1 weight  0.10000E+01 volume  0.82802E-02 ppm1      8.745 ppm2      7.049 CV     1
 ASSI {  395}
   (( segid "    " and resid 153  and name HN  ))
   (( segid "    " and resid 152  and name HA  ))
      2.200     0.600     0.600 peak   395 spectrum    1 weight  0.10000E+01 volume  0.51094E-01 ppm1      8.744 ppm2      4.618 CV     1
 ASSI {  396}
   (( segid "    " and resid 153  and name HN  ))
   (( segid "    " and resid 151  and name HA  ))
      3.600     1.700     1.700 peak   396 spectrum    1 weight  0.10000E+01 volume  0.36209E-02 ppm1      8.743 ppm2      4.099 CV     1
 ASSI {  397}
   (( segid "    " and resid 153  and name HN  ))
   (( segid "    " and resid 152  and name HB2 ))
      3.400     1.500     1.500 peak   397 spectrum    1 weight  0.10000E+01 volume  0.10258E-01 ppm1      8.742 ppm2      3.379 CV     1
 ASSI {  399}
   (( segid "    " and resid 153  and name HN  ))
   (( segid "    " and resid 153  and name HB2 ))
      2.700     0.900     0.900 peak   399 spectrum    1 weight  0.10000E+01 volume  0.30153E-01 ppm1      8.744 ppm2      2.592 CV     1
 ASSI {  400}
   (( segid "    " and resid 153  and name HN  ))
   (( segid "    " and resid 154  and name HB2 ))
      4.800     2.900     1.200 peak   400 spectrum    1 weight  0.10000E+01 volume  0.32605E-02 ppm1      8.742 ppm2      1.420 CV     1
 OR {  400}
   (( segid "    " and resid 153  and name HN  ))
   (( segid "    " and resid 154  and name HB1 ))
 ASSI {  401}
   (( segid "    " and resid 153  and name HN  ))
   (( segid "    " and resid 154  and name HG2 ))
      4.200     2.200     1.800 peak   401 spectrum    1 weight  0.10000E+01 volume  0.24687E-02 ppm1      8.743 ppm2      1.210 CV     1
 ASSI {  402}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 19   and name HA  ))
      3.600     1.700     1.700 peak   402 spectrum    1 weight  0.10000E+01 volume  0.51223E-02 ppm1      8.468 ppm2      4.601 CV     1
 ASSI {  405}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 60   and name HA  ))
      5.000     3.100     1.000 peak   405 spectrum    1 weight  0.10000E+01 volume  0.17556E-02 ppm1      9.246 ppm2      4.768 CV     1
 ASSI {  408}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 32   and name HA  ))
      2.400     0.700     0.700 peak   408 spectrum    1 weight  0.10000E+01 volume  0.25281E-01 ppm1      9.240 ppm2      4.920 CV     1
 ASSI {  409}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 26   and name HA1 ))
      3.700     1.700     1.700 peak   409 spectrum    1 weight  0.10000E+01 volume  0.96466E-02 ppm1      9.243 ppm2      3.876 CV     1
 ASSI {  410}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 32   and name HB1 ))
      3.500     1.500     1.500 peak   410 spectrum    1 weight  0.10000E+01 volume  0.55873E-02 ppm1      9.240 ppm2      3.352 CV     1
 ASSI {  411}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 32   and name HB2 ))
      3.900     1.900     1.900 peak   411 spectrum    1 weight  0.10000E+01 volume  0.76082E-02 ppm1      9.241 ppm2      3.159 CV     1
 ASSI {  412}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 33   and name HB  ))
      2.400     0.700     0.700 peak   412 spectrum    1 weight  0.10000E+01 volume  0.23138E-01 ppm1      9.241 ppm2      1.766 CV     1
 ASSI {  413}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 33   and name HG11))
      3.000     1.200     1.200 peak   413 spectrum    1 weight  0.10000E+01 volume  0.13880E-01 ppm1      9.240 ppm2      1.587 CV     1
 OR {  413}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 33   and name HG12))
 ASSI {  416}
   (( segid "    " and resid 153  and name HN  ))
   (( segid "    " and resid 154  and name HG1 ))
      4.400     2.400     1.600 peak   416 spectrum    1 weight  0.10000E+01 volume  0.19013E-02 ppm1      8.745 ppm2      0.768 CV     1
 ASSI {  417}
   (( segid "    " and resid 115  and name HN  ))
   (( segid "    " and resid 99   and name HN  ))
      3.600     3.600     2.400 peak   417 spectrum    1 weight  0.10000E+01 volume  0.49428E-03 ppm1      8.653 ppm2      9.580 CV     1
 ASSI {  419}
   (( segid "    " and resid 115  and name HN  ))
   (( segid "    " and resid 114  and name HA  ))
      2.600     0.800     0.800 peak   419 spectrum    1 weight  0.10000E+01 volume  0.11273E-01 ppm1      8.654 ppm2      5.455 CV     1
 ASSI {  420}
   (( segid "    " and resid 115  and name HN  ))
   (( segid "    " and resid 100  and name HA  ))
      2.600     2.600     3.400 peak   420 spectrum    1 weight  0.10000E+01 volume  0.32709E-02 ppm1      8.652 ppm2      4.828 CV     1
 ASSI {  422}
   (( segid "    " and resid 115  and name HN  ))
   (( segid "    " and resid 99   and name HA  ))
      2.800     1.000     1.000 peak   422 spectrum    1 weight  0.10000E+01 volume  0.11595E-01 ppm1      8.653 ppm2      4.575 CV     1
 ASSI {  423}
   (( segid "    " and resid 115  and name HN  ))
   (( segid "    " and resid 113  and name HA  ))
      2.900     2.900     3.100 peak   423 spectrum    1 weight  0.10000E+01 volume  0.96322E-02 ppm1      8.655 ppm2      4.326 CV     1
 ASSI {  424}
   (( segid "    " and resid 115  and name HN  ))
   (( segid "    " and resid 114  and name HD1 ))
      5.500     3.800     0.500 peak   424 spectrum    1 weight  0.10000E+01 volume  0.44894E-03 ppm1      8.650 ppm2      4.153 CV     1
 ASSI {  425}
   (( segid "    " and resid 115  and name HN  ))
   (( segid "    " and resid 115  and name HB1 ))
      3.000     1.100     1.100 peak   425 spectrum    1 weight  0.10000E+01 volume  0.75566E-02 ppm1      8.655 ppm2      3.782 CV     1
 ASSI {  426}
   (( segid "    " and resid 115  and name HN  ))
   (( segid "    " and resid 118  and name HG2 ))
      5.300     3.500     0.700 peak   426 spectrum    1 weight  0.10000E+01 volume  0.45857E-03 ppm1      8.651 ppm2      3.320 CV     1
 OR {  426}
   (( segid "    " and resid 115  and name HN  ))
   (( segid "    " and resid 118  and name HG1 ))
 ASSI {  428}
   (( segid "    " and resid 115  and name HN  ))
   (( segid "    " and resid 114  and name HB2 ))
      4.500     2.500     1.500 peak   428 spectrum    1 weight  0.10000E+01 volume  0.37533E-02 ppm1      8.654 ppm2      2.855 CV     1
 ASSI {  430}
   (( segid "    " and resid 115  and name HN  ))
   (( segid "    " and resid 114  and name HB1 ))
      4.100     2.100     1.900 peak   430 spectrum    1 weight  0.10000E+01 volume  0.61122E-02 ppm1      8.652 ppm2      2.096 CV     1
 ASSI {  431}
   (( segid "    " and resid 115  and name HN  ))
   (( segid "    " and resid 118  and name HB1 ))
      3.400     1.500     1.500 peak   431 spectrum    1 weight  0.10000E+01 volume  0.58079E-02 ppm1      8.653 ppm2      1.959 CV     1
 OR {  431}
   (( segid "    " and resid 115  and name HN  ))
   (( segid "    " and resid 118  and name HB2 ))
 ASSI {  437}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 20   and name HN  ))
      2.400     0.700     0.700 peak   437 spectrum    1 weight  0.10000E+01 volume  0.18820E-01 ppm1      8.480 ppm2      8.138 CV     1
 ASSI {  442}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 18   and name HA  ))
      3.300     1.400     1.400 peak   442 spectrum    1 weight  0.10000E+01 volume  0.71797E-02 ppm1      8.479 ppm2      3.425 CV     1
 ASSI {  443}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 19   and name HB2 ))
      5.100     3.300     0.900 peak   443 spectrum    1 weight  0.10000E+01 volume  0.14006E-02 ppm1      8.480 ppm2      2.871 CV     1
 ASSI {  444}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 22   and name HG  ))
      3.700     1.800     1.800 peak   444 spectrum    1 weight  0.10000E+01 volume  0.61799E-02 ppm1      8.480 ppm2      1.921 CV     1
 ASSI {  447}
   (( segid "    " and resid 21   and name HN  ))
   (  segid "    " and resid 18   and name HG1%)
      4.700     2.800     1.300 peak   447 spectrum    1 weight  0.10000E+01 volume  0.20472E-02 ppm1      8.479 ppm2      0.229 CV     1
 ASSI {  451}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 10   and name HB2 ))
      3.300     1.400     1.400 peak   451 spectrum    1 weight  0.10000E+01 volume  0.58184E-02 ppm1      8.471 ppm2      0.652 CV     1
 ASSI {  452}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 11   and name HN  ))
      2.500     0.800     0.800 peak   452 spectrum    1 weight  0.10000E+01 volume  0.11803E-01 ppm1      8.457 ppm2      6.976 CV     1
 ASSI {  454}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 94   and name HA  ))
      5.600     3.900     0.400 peak   454 spectrum    1 weight  0.10000E+01 volume  0.70907E-03 ppm1      8.463 ppm2      4.832 CV     1
 ASSI {  455}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 37   and name HN  ))
      4.400     2.400     1.600 peak   455 spectrum    1 weight  0.10000E+01 volume  0.32495E-02 ppm1      8.317 ppm2      9.131 CV     1
 ASSI {  461}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 35   and name HA  ))
      2.200     0.600     0.600 peak   461 spectrum    1 weight  0.10000E+01 volume  0.53431E-01 ppm1      8.316 ppm2      4.624 CV     1
 ASSI {  462}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 35   and name HB  ))
      2.900     1.100     1.100 peak   462 spectrum    1 weight  0.10000E+01 volume  0.99694E-02 ppm1      8.315 ppm2      4.105 CV     1
 ASSI {  463}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 36   and name HB  ))
      2.500     0.800     0.800 peak   463 spectrum    1 weight  0.10000E+01 volume  0.22834E-01 ppm1      8.316 ppm2      1.960 CV     1
 ASSI {  464}
   (( segid "    " and resid 36   and name HN  ))
   (  segid "    " and resid 35   and name HG2%)
      3.300     1.400     1.400 peak   464 spectrum    1 weight  0.10000E+01 volume  0.32301E-01 ppm1      8.316 ppm2      1.288 CV     1
 ASSI {  470}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 24   and name HA  ))
      6.000     4.400     0.000 peak   470 spectrum    1 weight  0.10000E+01 volume  0.43819E-03 ppm1      7.163 ppm2      4.202 CV     1
 ASSI {  471}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 27   and name HB1 ))
      3.700     1.700     1.700 peak   471 spectrum    1 weight  0.10000E+01 volume  0.42090E-02 ppm1      7.164 ppm2      2.938 CV     1
 ASSI {  472}
   (( segid "    " and resid 28   and name HN  ))
   (  segid "    " and resid 28   and name HG2%)
      3.500     1.500     1.500 peak   472 spectrum    1 weight  0.10000E+01 volume  0.18433E-01 ppm1      7.161 ppm2      0.618 CV     1
 ASSI {  475}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 27   and name HA  ))
      3.400     1.400     1.400 peak   475 spectrum    1 weight  0.10000E+01 volume  0.72652E-02 ppm1      7.160 ppm2      4.947 CV     1
 ASSI {  476}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 28   and name HA  ))
      2.400     0.700     0.700 peak   476 spectrum    1 weight  0.10000E+01 volume  0.20378E-01 ppm1      7.160 ppm2      3.821 CV     1
 ASSI {  477}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 31   and name HB2 ))
      4.000     2.000     2.000 peak   477 spectrum    1 weight  0.10000E+01 volume  0.52488E-02 ppm1      7.160 ppm2      3.628 CV     1
 OR {  477}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 31   and name HB1 ))
 ASSI {  479}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 27   and name HB2 ))
      3.900     1.900     1.900 peak   479 spectrum    1 weight  0.10000E+01 volume  0.59120E-02 ppm1      7.160 ppm2      2.592 CV     1
 ASSI {  480}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 28   and name HG12))
      2.900     1.000     1.000 peak   480 spectrum    1 weight  0.10000E+01 volume  0.87408E-02 ppm1      7.160 ppm2      2.088 CV     1
 OR {  480}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 28   and name HG11))
 ASSI {  481}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 28   and name HB  ))
      2.400     0.700     0.700 peak   481 spectrum    1 weight  0.10000E+01 volume  0.17268E-01 ppm1      7.160 ppm2      1.576 CV     1
 ASSI {  482}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 25   and name HB2 ))
      5.200     3.400     0.800 peak   482 spectrum    1 weight  0.10000E+01 volume  0.12014E-02 ppm1      7.159 ppm2      1.181 CV     1
 ASSI {  485}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 63   and name HN  ))
      2.000     0.500     0.500 peak   485 spectrum    1 weight  0.10000E+01 volume  0.14873E-01 ppm1      8.545 ppm2      8.255 CV     1
 ASSI {  486}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 31   and name HN  ))
      5.900     4.300     0.100 peak   486 spectrum    1 weight  0.10000E+01 volume  0.62905E-03 ppm1      8.544 ppm2      7.252 CV     1
 ASSI {  488}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 62   and name HA  ))
      3.900     1.900     1.900 peak   488 spectrum    1 weight  0.10000E+01 volume  0.63746E-02 ppm1      8.547 ppm2      5.522 CV     1
 ASSI {  489}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 63   and name HA  ))
      3.500     1.500     1.500 peak   489 spectrum    1 weight  0.10000E+01 volume  0.38710E-02 ppm1      8.544 ppm2      4.993 CV     1
 ASSI {  493}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 64   and name HA  ))
      2.700     0.900     0.900 peak   493 spectrum    1 weight  0.10000E+01 volume  0.91799E-02 ppm1      8.544 ppm2      4.224 CV     1
 ASSI {  494}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 63   and name HB2 ))
      3.900     1.900     1.900 peak   494 spectrum    1 weight  0.10000E+01 volume  0.45128E-02 ppm1      8.544 ppm2      4.051 CV     1
 OR {  494}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 63   and name HB1 ))
 ASSI {  495}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 62   and name HB  ))
      4.100     2.100     1.900 peak   495 spectrum    1 weight  0.10000E+01 volume  0.38750E-02 ppm1      8.546 ppm2      3.845 CV     1
 ASSI {  497}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 31   and name HB1 ))
      5.000     3.100     1.000 peak   497 spectrum    1 weight  0.10000E+01 volume  0.18397E-02 ppm1      8.545 ppm2      3.615 CV     1
 OR {  497}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 31   and name HB2 ))
 ASSI {  498}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 30   and name HB1 ))
      3.700     1.700     1.700 peak   498 spectrum    1 weight  0.10000E+01 volume  0.32360E-02 ppm1      8.543 ppm2      2.415 CV     1
 ASSI {  499}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 30   and name HG2 ))
      5.200     3.400     0.800 peak   499 spectrum    1 weight  0.10000E+01 volume  0.26312E-02 ppm1      8.545 ppm2      2.182 CV     1
 ASSI {  500}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 30   and name HB2 ))
      3.600     1.600     1.600 peak   500 spectrum    1 weight  0.10000E+01 volume  0.36363E-02 ppm1      8.545 ppm2      1.993 CV     1
 ASSI {  501}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 64   and name HB2 ))
      2.300     0.700     0.700 peak   501 spectrum    1 weight  0.10000E+01 volume  0.10915E-01 ppm1      8.546 ppm2      1.741 CV     1
 ASSI {  502}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 64   and name HB1 ))
      2.400     0.700     0.700 peak   502 spectrum    1 weight  0.10000E+01 volume  0.22509E-01 ppm1      8.544 ppm2      1.483 CV     1
 ASSI {  503}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 60   and name HG  ))
      5.100     3.300     0.900 peak   503 spectrum    1 weight  0.10000E+01 volume  0.39295E-02 ppm1      8.544 ppm2      1.301 CV     1
 ASSI {  504}
   (( segid "    " and resid 64   and name HN  ))
   (  segid "    " and resid 62   and name HG2%)
      3.500     1.500     1.500 peak   504 spectrum    1 weight  0.10000E+01 volume  0.10274E-01 ppm1      8.547 ppm2      1.103 CV     1
 ASSI {  505}
   (( segid "    " and resid 64   and name HN  ))
   (  segid "    " and resid 64   and name HD2%)
      3.400     1.400     1.400 peak   505 spectrum    1 weight  0.10000E+01 volume  0.22385E-01 ppm1      8.544 ppm2      0.729 CV     1
 OR {  505}
   (( segid "    " and resid 64   and name HN  ))
   (  segid "    " and resid 64   and name HD1%)
 ASSI {  506}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 18   and name HN  ))
      4.500     2.600     1.500 peak   506 spectrum    1 weight  0.10000E+01 volume  0.17264E-02 ppm1      8.145 ppm2      8.732 CV     1
 ASSI {  508}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 80   and name HE21))
      4.000     2.000     2.000 peak   508 spectrum    1 weight  0.10000E+01 volume  0.33886E-02 ppm1      8.145 ppm2      7.892 CV     1
 ASSI {  510}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 23   and name HN  ))
      3.600     1.600     1.600 peak   510 spectrum    1 weight  0.10000E+01 volume  0.65247E-02 ppm1      8.145 ppm2      7.421 CV     1
 ASSI {  511}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 19   and name HD22))
      3.200     3.200     2.800 peak   511 spectrum    1 weight  0.10000E+01 volume  0.91327E-03 ppm1      8.145 ppm2      6.786 CV     1
 ASSI {  512}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 19   and name HA  ))
      3.500     1.600     1.600 peak   512 spectrum    1 weight  0.10000E+01 volume  0.57274E-02 ppm1      8.146 ppm2      4.585 CV     1
 ASSI {  515}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 18   and name HA  ))
      4.300     2.300     1.700 peak   515 spectrum    1 weight  0.10000E+01 volume  0.24547E-02 ppm1      8.146 ppm2      3.423 CV     1
 ASSI {  516}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 19   and name HB2 ))
      2.500     0.800     0.800 peak   516 spectrum    1 weight  0.10000E+01 volume  0.10446E-01 ppm1      8.145 ppm2      2.848 CV     1
 ASSI {  517}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 19   and name HB1 ))
      3.400     1.400     1.400 peak   517 spectrum    1 weight  0.10000E+01 volume  0.10463E-01 ppm1      8.145 ppm2      2.681 CV     1
 ASSI {  519}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 17   and name HB1 ))
      4.300     2.300     1.700 peak   519 spectrum    1 weight  0.10000E+01 volume  0.41062E-02 ppm1      8.145 ppm2      2.132 CV     1
 OR {  519}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 17   and name HB2 ))
 ASSI {  520}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 23   and name HB1 ))
      4.300     2.300     1.700 peak   520 spectrum    1 weight  0.10000E+01 volume  0.43064E-02 ppm1      8.144 ppm2      1.954 CV     1
 OR {  520}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 23   and name HB2 ))
 ASSI {  528}
   (( segid "    " and resid 117  and name HN  ))
   (( segid "    " and resid 124  and name HB2 ))
      6.000     5.900     0.000 peak   528 spectrum    1 weight  0.10000E+01 volume  0.89020E-03 ppm1      8.019 ppm2      2.155 CV     1
 OR {  528}
   (( segid "    " and resid 117  and name HN  ))
   (( segid "    " and resid 124  and name HB1 ))
 ASSI {  531}
   (( segid "    " and resid 86   and name HN  ))
   (( segid "    " and resid 85   and name HA  ))
      2.800     1.000     1.000 peak   531 spectrum    1 weight  0.10000E+01 volume  0.14801E-01 ppm1      7.742 ppm2      4.434 CV     1
 ASSI {  532}
   (( segid "    " and resid 86   and name HN  ))
   (( segid "    " and resid 86   and name HA  ))
      3.000     1.100     1.100 peak   532 spectrum    1 weight  0.10000E+01 volume  0.11718E-01 ppm1      7.741 ppm2      4.306 CV     1
 ASSI {  534}
   (( segid "    " and resid 86   and name HN  ))
   (( segid "    " and resid 85   and name HB1 ))
      3.300     1.300     1.300 peak   534 spectrum    1 weight  0.10000E+01 volume  0.76988E-02 ppm1      7.742 ppm2      1.985 CV     1
 ASSI {  535}
   (( segid "    " and resid 86   and name HN  ))
   (( segid "    " and resid 85   and name HB2 ))
      3.300     1.400     1.400 peak   535 spectrum    1 weight  0.10000E+01 volume  0.64918E-02 ppm1      7.741 ppm2      1.776 CV     1
 ASSI {  536}
   (( segid "    " and resid 86   and name HN  ))
   (  segid "    " and resid 86   and name HB% )
      2.600     0.800     0.800 peak   536 spectrum    1 weight  0.10000E+01 volume  0.30683E-01 ppm1      7.742 ppm2      1.439 CV     1
 ASSI {  541}
   (( segid "    " and resid 142  and name HN  ))
   (( segid "    " and resid 142  and name HA  ))
      2.600     0.900     0.900 peak   541 spectrum    1 weight  0.10000E+01 volume  0.76826E-02 ppm1      9.275 ppm2      4.790 CV     1
 ASSI {  542}
   (( segid "    " and resid 142  and name HN  ))
   (( segid "    " and resid 141  and name HA  ))
      2.000     0.500     0.500 peak   542 spectrum    1 weight  0.10000E+01 volume  0.40085E-01 ppm1      9.272 ppm2      4.288 CV     1
 ASSI {  543}
   (( segid "    " and resid 142  and name HN  ))
   (( segid "    " and resid 143  and name HA  ))
      5.400     3.700     0.600 peak   543 spectrum    1 weight  0.10000E+01 volume  0.62574E-03 ppm1      9.273 ppm2      4.108 CV     1
 ASSI {  545}
   (( segid "    " and resid 142  and name HN  ))
   (( segid "    " and resid 142  and name HB2 ))
      2.300     0.600     0.600 peak   545 spectrum    1 weight  0.10000E+01 volume  0.21735E-01 ppm1      9.273 ppm2      2.270 CV     1
 ASSI {  548}
   (( segid "    " and resid 142  and name HN  ))
   (( segid "    " and resid 146  and name HG11))
      4.200     2.200     1.800 peak   548 spectrum    1 weight  0.10000E+01 volume  0.15587E-02 ppm1      9.274 ppm2      1.605 CV     1
 ASSI {  550}
   (( segid "    " and resid 142  and name HN  ))
   (  segid "    " and resid 146  and name HD1%)
      5.900     4.400     0.100 peak   550 spectrum    1 weight  0.10000E+01 volume  0.58196E-03 ppm1      9.272 ppm2      0.461 CV     1
 ASSI {  551}
   (( segid "    " and resid 142  and name HN  ))
   (( segid "    " and resid 143  and name HN  ))
      4.100     2.100     1.900 peak   551 spectrum    1 weight  0.10000E+01 volume  0.29682E-02 ppm1      9.269 ppm2      8.440 CV     1
 ASSI {  553}
   (( segid "    " and resid 142  and name HN  ))
   (( segid "    " and resid 142  and name HG2 ))
      3.500     1.600     1.600 peak   553 spectrum    1 weight  0.10000E+01 volume  0.67780E-02 ppm1      9.270 ppm2      2.659 CV     1
 ASSI {  554}
   (( segid "    " and resid 142  and name HN  ))
   (( segid "    " and resid 145  and name HG1 ))
      4.300     2.300     1.700 peak   554 spectrum    1 weight  0.10000E+01 volume  0.40314E-02 ppm1      9.268 ppm2      2.477 CV     1
 OR {  554}
   (( segid "    " and resid 142  and name HN  ))
   (( segid "    " and resid 145  and name HG2 ))
 ASSI {  555}
   (( segid "    " and resid 117  and name HN  ))
   (( segid "    " and resid 116  and name HN  ))
      5.100     3.200     0.900 peak   555 spectrum    1 weight  0.10000E+01 volume  0.85356E-03 ppm1      8.015 ppm2      8.410 CV     1
 ASSI {  556}
   (( segid "    " and resid 117  and name HN  ))
   (( segid "    " and resid 118  and name HN  ))
      2.300     0.600     0.600 peak   556 spectrum    1 weight  0.10000E+01 volume  0.13280E-01 ppm1      8.009 ppm2      7.545 CV     1
 ASSI {  559}
   (( segid "    " and resid 117  and name HN  ))
   (( segid "    " and resid 120  and name HD22))
      3.500     1.500     1.500 peak   559 spectrum    1 weight  0.10000E+01 volume  0.53556E-02 ppm1      8.011 ppm2      6.889 CV     1
 ASSI {  560}
   (( segid "    " and resid 117  and name HN  ))
   (  segid "    " and resid 116  and name HD% )
      4.200     2.200     1.800 peak   560 spectrum    1 weight  0.10000E+01 volume  0.49412E-02 ppm1      8.011 ppm2      6.640 CV     1
 ASSI {  561}
   (( segid "    " and resid 117  and name HN  ))
   (( segid "    " and resid 117  and name HA  ))
      3.200     1.300     1.300 peak   561 spectrum    1 weight  0.10000E+01 volume  0.46288E-02 ppm1      8.011 ppm2      5.085 CV     1
 ASSI {  563}
   (( segid "    " and resid 117  and name HN  ))
   (( segid "    " and resid 118  and name HA  ))
      5.800     4.300     0.200 peak   563 spectrum    1 weight  0.10000E+01 volume  0.76154E-03 ppm1      8.011 ppm2      3.869 CV     1
 ASSI {  564}
   (( segid "    " and resid 117  and name HN  ))
   (( segid "    " and resid 118  and name HG2 ))
      4.600     2.600     1.400 peak   564 spectrum    1 weight  0.10000E+01 volume  0.13702E-02 ppm1      8.008 ppm2      3.322 CV     1
 OR {  564}
   (( segid "    " and resid 117  and name HN  ))
   (( segid "    " and resid 118  and name HG1 ))
 ASSI {  565}
   (( segid "    " and resid 117  and name HN  ))
   (( segid "    " and resid 120  and name HB1 ))
      3.900     1.900     1.900 peak   565 spectrum    1 weight  0.10000E+01 volume  0.45239E-02 ppm1      8.008 ppm2      3.020 CV     1
 ASSI {  567}
   (( segid "    " and resid 117  and name HN  ))
   (( segid "    " and resid 119  and name HG2 ))
      3.900     1.900     1.900 peak   567 spectrum    1 weight  0.10000E+01 volume  0.17385E-02 ppm1      8.012 ppm2      1.337 CV     1
 ASSI {  568}
   (( segid "    " and resid 117  and name HN  ))
   (( segid "    " and resid 117  and name HB2 ))
      3.500     1.600     1.600 peak   568 spectrum    1 weight  0.10000E+01 volume  0.60141E-02 ppm1      8.010 ppm2      0.873 CV     1
 ASSI {  569}
   (( segid "    " and resid 117  and name HN  ))
   (( segid "    " and resid 116  and name HA  ))
      4.200     2.200     1.800 peak   569 spectrum    1 weight  0.10000E+01 volume  0.50954E-03 ppm1      8.004 ppm2      4.204 CV     1
 ASSI {  581}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 40   and name HN  ))
      3.200     1.300     1.300 peak   581 spectrum    1 weight  0.10000E+01 volume  0.46404E-02 ppm1      9.401 ppm2      9.109 CV     1
 ASSI {  582}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 158  and name HE3 ))
      3.300     3.300     2.700 peak   582 spectrum    1 weight  0.10000E+01 volume  0.84700E-03 ppm1      9.409 ppm2      7.396 CV     1
 ASSI {  585}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 55   and name HA  ))
      3.500     1.500     1.500 peak   585 spectrum    1 weight  0.10000E+01 volume  0.32437E-02 ppm1      9.405 ppm2      6.220 CV     1
 ASSI {  586}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 54   and name HA  ))
      2.500     0.800     0.800 peak   586 spectrum    1 weight  0.10000E+01 volume  0.13136E-01 ppm1      9.405 ppm2      5.479 CV     1
 ASSI {  589}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 40   and name HB1 ))
      4.400     2.400     1.600 peak   589 spectrum    1 weight  0.10000E+01 volume  0.19854E-02 ppm1      9.404 ppm2      3.065 CV     1
 ASSI {  592}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 54   and name HB1 ))
      3.900     1.900     1.900 peak   592 spectrum    1 weight  0.10000E+01 volume  0.74824E-02 ppm1      9.409 ppm2      0.958 CV     1
 ASSI {  593}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 54   and name HB2 ))
      5.900     4.300     0.100 peak   593 spectrum    1 weight  0.10000E+01 volume  0.95801E-03 ppm1      9.403 ppm2      0.375 CV     1
 ASSI {  594}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 54   and name HG  ))
      3.100     1.200     1.200 peak   594 spectrum    1 weight  0.10000E+01 volume  0.95515E-02 ppm1      9.404 ppm2      0.231 CV     1
 ASSI {  595}
   (( segid "    " and resid 55   and name HN  ))
   (  segid "    " and resid 54   and name HD1%)
      4.400     2.400     1.600 peak   595 spectrum    1 weight  0.10000E+01 volume  0.24377E-02 ppm1      9.405 ppm2     -0.641 CV     1
 ASSI {  597}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 41   and name HA  ))
      4.200     2.200     1.800 peak   597 spectrum    1 weight  0.10000E+01 volume  0.14351E-02 ppm1      9.396 ppm2      6.067 CV     1
 ASSI {  600}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 58   and name HA  ))
      2.900     1.000     1.000 peak   600 spectrum    1 weight  0.10000E+01 volume  0.11992E-01 ppm1      9.128 ppm2      5.039 CV     1
 ASSI {  601}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 36   and name HA  ))
      2.300     0.700     0.700 peak   601 spectrum    1 weight  0.10000E+01 volume  0.24599E-01 ppm1      9.129 ppm2      4.835 CV     1
 ASSI {  603}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 37   and name HA  ))
      3.200     1.300     1.300 peak   603 spectrum    1 weight  0.10000E+01 volume  0.60129E-02 ppm1      9.128 ppm2      4.265 CV     1
 ASSI {  604}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 37   and name HB2 ))
      3.200     1.300     1.300 peak   604 spectrum    1 weight  0.10000E+01 volume  0.81990E-02 ppm1      9.128 ppm2      4.077 CV     1
 ASSI {  606}
   (( segid "    " and resid 37   and name HN  ))
   (  segid "    " and resid 36   and name HG2%)
      3.200     1.300     1.300 peak   606 spectrum    1 weight  0.10000E+01 volume  0.20498E-01 ppm1      9.129 ppm2      1.353 CV     1
 ASSI {  610}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 57   and name HN  ))
      3.900     1.900     1.900 peak   610 spectrum    1 weight  0.10000E+01 volume  0.36576E-02 ppm1      9.127 ppm2      9.504 CV     1
 ASSI {  611}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 38   and name HN  ))
      4.500     2.500     1.500 peak   611 spectrum    1 weight  0.10000E+01 volume  0.17203E-02 ppm1      9.125 ppm2      9.296 CV     1
 ASSI {  614}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 82   and name HD1 ))
      4.600     2.700     1.400 peak   614 spectrum    1 weight  0.10000E+01 volume  0.19237E-02 ppm1      8.212 ppm2      3.345 CV     1
 ASSI {  618}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 57   and name HA  ))
      4.100     2.200     1.900 peak   618 spectrum    1 weight  0.10000E+01 volume  0.36185E-02 ppm1      8.978 ppm2      5.667 CV     1
 ASSI {  621}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 7    and name HG11))
      3.600     1.600     1.600 peak   621 spectrum    1 weight  0.10000E+01 volume  0.40186E-02 ppm1      8.982 ppm2      1.569 CV     1
 OR {  621}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 7    and name HG12))
 ASSI {  622}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 96   and name HB1 ))
      3.900     1.900     1.900 peak   622 spectrum    1 weight  0.10000E+01 volume  0.41763E-02 ppm1      8.982 ppm2      0.973 CV     1
 ASSI {  625}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 66   and name HD1 ))
      5.000     3.100     1.000 peak   625 spectrum    1 weight  0.10000E+01 volume  0.21219E-02 ppm1      8.391 ppm2      3.404 CV     1
 ASSI {  626}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 64   and name HB2 ))
      4.100     2.100     1.900 peak   626 spectrum    1 weight  0.10000E+01 volume  0.54419E-02 ppm1      8.387 ppm2      1.741 CV     1
 ASSI {  628}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 81   and name HN  ))
      3.200     1.300     1.300 peak   628 spectrum    1 weight  0.10000E+01 volume  0.12279E-01 ppm1      8.212 ppm2      7.931 CV     1
 ASSI {  630}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 81   and name HA1 ))
      3.300     1.400     1.400 peak   630 spectrum    1 weight  0.10000E+01 volume  0.16184E-01 ppm1      8.211 ppm2      4.165 CV     1
 ASSI {  631}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 81   and name HA2 ))
      2.900     1.000     1.000 peak   631 spectrum    1 weight  0.10000E+01 volume  0.71496E-02 ppm1      8.211 ppm2      3.823 CV     1
 ASSI {  632}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 82   and name HD2 ))
      5.000     3.100     1.000 peak   632 spectrum    1 weight  0.10000E+01 volume  0.21166E-02 ppm1      8.210 ppm2      3.516 CV     1
 ASSI {  633}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 77   and name HB1 ))
      4.600     2.600     1.400 peak   633 spectrum    1 weight  0.10000E+01 volume  0.10050E-02 ppm1      8.213 ppm2      2.597 CV     1
 ASSI {  634}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 82   and name HG1 ))
      3.400     1.400     1.400 peak   634 spectrum    1 weight  0.10000E+01 volume  0.12557E-01 ppm1      8.213 ppm2      1.793 CV     1
 ASSI {  635}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 82   and name HB1 ))
      2.600     0.800     0.800 peak   635 spectrum    1 weight  0.10000E+01 volume  0.23285E-01 ppm1      8.213 ppm2      1.586 CV     1
 OR {  635}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 82   and name HB2 ))
 ASSI {  636}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 82   and name HG2 ))
      2.800     1.000     1.000 peak   636 spectrum    1 weight  0.10000E+01 volume  0.83718E-02 ppm1      8.211 ppm2      1.403 CV     1
 ASSI {  637}
   (( segid "    " and resid 82   and name HN  ))
   (  segid "    " and resid 93   and name HG2%)
      4.900     3.000     1.100 peak   637 spectrum    1 weight  0.10000E+01 volume  0.25163E-02 ppm1      8.214 ppm2      1.224 CV     1
 ASSI {  638}
   (( segid "    " and resid 82   and name HN  ))
   (  segid "    " and resid 83   and name HG2%)
      4.100     2.100     1.900 peak   638 spectrum    1 weight  0.10000E+01 volume  0.45273E-02 ppm1      8.212 ppm2      0.981 CV     1
 OR {  638}
   (( segid "    " and resid 82   and name HN  ))
   (  segid "    " and resid 83   and name HG1%)
 ASSI {  641}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 38   and name HN  ))
      4.000     2.000     2.000 peak   641 spectrum    1 weight  0.10000E+01 volume  0.48276E-02 ppm1      9.499 ppm2      9.320 CV     1
 ASSI {  642}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 58   and name HN  ))
      3.600     1.600     1.600 peak   642 spectrum    1 weight  0.10000E+01 volume  0.11262E-01 ppm1      9.499 ppm2      9.105 CV     1
 ASSI {  643}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 56   and name HN  ))
      4.900     3.000     1.100 peak   643 spectrum    1 weight  0.10000E+01 volume  0.79952E-03 ppm1      9.497 ppm2      8.938 CV     1
 ASSI {  645}
   (( segid "    " and resid 57   and name HN  ))
   (  segid "    " and resid 40   and name HD% )
      3.500     1.500     1.500 peak   645 spectrum    1 weight  0.10000E+01 volume  0.12612E-01 ppm1      9.500 ppm2      7.033 CV     1
 ASSI {  647}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 57   and name HA  ))
      3.000     1.100     1.100 peak   647 spectrum    1 weight  0.10000E+01 volume  0.50998E-02 ppm1      9.497 ppm2      5.663 CV     1
 ASSI {  648}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 37   and name HB1 ))
      3.100     1.200     1.200 peak   648 spectrum    1 weight  0.10000E+01 volume  0.55359E-02 ppm1      9.500 ppm2      5.116 CV     1
 ASSI {  649}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 56   and name HA  ))
      2.100     0.600     0.600 peak   649 spectrum    1 weight  0.10000E+01 volume  0.20040E-01 ppm1      9.499 ppm2      4.921 CV     1
 ASSI {  650}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 127  and name HA  ))
      5.300     3.500     0.700 peak   650 spectrum    1 weight  0.10000E+01 volume  0.21831E-02 ppm1      9.499 ppm2      4.526 CV     1
 ASSI {  652}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 127  and name HB2 ))
      2.400     0.700     0.700 peak   652 spectrum    1 weight  0.10000E+01 volume  0.50518E-02 ppm1      9.501 ppm2      2.696 CV     1
 ASSI {  653}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 127  and name HB1 ))
      2.600     0.900     0.900 peak   653 spectrum    1 weight  0.10000E+01 volume  0.50319E-02 ppm1      9.499 ppm2      1.952 CV     1
 ASSI {  654}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 127  and name HG1 ))
      4.900     3.000     1.100 peak   654 spectrum    1 weight  0.10000E+01 volume  0.18423E-02 ppm1      9.499 ppm2      1.576 CV     1
 ASSI {  657}
   (( segid "    " and resid 57   and name HN  ))
   (  segid "    " and resid 131  and name HG2%)
      3.700     1.700     1.700 peak   657 spectrum    1 weight  0.10000E+01 volume  0.61124E-02 ppm1      9.498 ppm2      0.837 CV     1
 ASSI {  660}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 54   and name HA  ))
      5.200     3.400     0.800 peak   660 spectrum    1 weight  0.10000E+01 volume  0.48383E-03 ppm1      9.114 ppm2      5.467 CV     1
 ASSI {  661}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 41   and name HN  ))
      5.300     3.500     0.700 peak   661 spectrum    1 weight  0.10000E+01 volume  0.87819E-03 ppm1      9.114 ppm2      8.830 CV     1
 ASSI {  663}
   (( segid "    " and resid 40   and name HN  ))
   (  segid "    " and resid 40   and name HD% )
      2.400     0.700     0.700 peak   663 spectrum    1 weight  0.10000E+01 volume  0.20976E-01 ppm1      9.111 ppm2      7.021 CV     1
 ASSI {  665}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 39   and name HA  ))
      2.400     0.700     0.700 peak   665 spectrum    1 weight  0.10000E+01 volume  0.15890E-01 ppm1      9.112 ppm2      5.243 CV     1
 ASSI {  666}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 157  and name HA  ))
      4.500     2.600     1.500 peak   666 spectrum    1 weight  0.10000E+01 volume  0.28568E-02 ppm1      9.109 ppm2      4.487 CV     1
 ASSI {  667}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 39   and name HB2 ))
      4.300     2.300     1.700 peak   667 spectrum    1 weight  0.10000E+01 volume  0.46358E-02 ppm1      9.112 ppm2      3.359 CV     1
 ASSI {  671}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 54   and name HG  ))
      3.000     1.100     1.100 peak   671 spectrum    1 weight  0.10000E+01 volume  0.65134E-02 ppm1      9.113 ppm2      0.227 CV     1
 ASSI {  673}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 6    and name HA  ))
      2.600     0.800     0.800 peak   673 spectrum    1 weight  0.10000E+01 volume  0.11783E-01 ppm1      8.978 ppm2      5.034 CV     1
 ASSI {  674}
   (( segid "    " and resid 7    and name HN  ))
   (  segid "    " and resid 6    and name HB% )
      4.100     2.100     1.900 peak   674 spectrum    1 weight  0.10000E+01 volume  0.53009E-02 ppm1      8.980 ppm2      1.763 CV     1
 ASSI {  675}
   (( segid "    " and resid 7    and name HN  ))
   (  segid "    " and resid 56   and name HB% )
      3.100     3.100     2.900 peak   675 spectrum    1 weight  0.10000E+01 volume  0.16397E-01 ppm1      8.977 ppm2      1.440 CV     1
 ASSI {  676}
   (( segid "    " and resid 7    and name HN  ))
   (  segid "    " and resid 7    and name HG2%)
      3.700     1.700     1.700 peak   676 spectrum    1 weight  0.10000E+01 volume  0.11425E-01 ppm1      8.979 ppm2      0.806 CV     1
 ASSI {  678}
   (( segid "    " and resid 157  and name HN  ))
   (( segid "    " and resid 156  and name HN  ))
      4.500     2.500     1.500 peak   678 spectrum    1 weight  0.10000E+01 volume  0.30418E-02 ppm1      8.785 ppm2      9.311 CV     1
 ASSI {  680}
   (( segid "    " and resid 157  and name HN  ))
   (  segid "    " and resid 40   and name HD% )
      3.600     1.600     1.600 peak   680 spectrum    1 weight  0.10000E+01 volume  0.32246E-02 ppm1      8.783 ppm2      7.047 CV     1
 ASSI {  681}
   (( segid "    " and resid 157  and name HN  ))
   (( segid "    " and resid 40   and name HA  ))
      4.600     2.600     1.400 peak   681 spectrum    1 weight  0.10000E+01 volume  0.21046E-02 ppm1      8.785 ppm2      5.254 CV     1
 ASSI {  682}
   (( segid "    " and resid 157  and name HN  ))
   (( segid "    " and resid 156  and name HA  ))
      2.000     0.500     0.500 peak   682 spectrum    1 weight  0.10000E+01 volume  0.50224E-01 ppm1      8.785 ppm2      4.941 CV     1
 ASSI {  683}
   (( segid "    " and resid 157  and name HN  ))
   (( segid "    " and resid 157  and name HA  ))
      2.700     0.900     0.900 peak   683 spectrum    1 weight  0.10000E+01 volume  0.97094E-02 ppm1      8.785 ppm2      4.488 CV     1
 ASSI {  684}
   (( segid "    " and resid 157  and name HN  ))
   (( segid "    " and resid 156  and name HB2 ))
      3.000     1.200     1.200 peak   684 spectrum    1 weight  0.10000E+01 volume  0.25851E-01 ppm1      8.785 ppm2      2.862 CV     1
 OR {  684}
   (( segid "    " and resid 157  and name HN  ))
   (( segid "    " and resid 156  and name HB1 ))
 ASSI {  685}
   (( segid "    " and resid 157  and name HN  ))
   (( segid "    " and resid 157  and name HB2 ))
      2.600     0.900     0.900 peak   685 spectrum    1 weight  0.10000E+01 volume  0.13442E-01 ppm1      8.785 ppm2      1.992 CV     1
 ASSI {  686}
   (( segid "    " and resid 157  and name HN  ))
   (( segid "    " and resid 157  and name HB1 ))
      3.100     1.200     1.200 peak   686 spectrum    1 weight  0.10000E+01 volume  0.26344E-01 ppm1      8.785 ppm2      1.824 CV     1
 ASSI {  687}
   (( segid "    " and resid 157  and name HN  ))
   (( segid "    " and resid 157  and name HG2 ))
      2.800     1.000     1.000 peak   687 spectrum    1 weight  0.10000E+01 volume  0.27135E-01 ppm1      8.785 ppm2      1.632 CV     1
 ASSI {  688}
   (( segid "    " and resid 157  and name HN  ))
   (( segid "    " and resid 157  and name HG1 ))
      2.400     0.700     0.700 peak   688 spectrum    1 weight  0.10000E+01 volume  0.13443E-01 ppm1      8.785 ppm2      1.299 CV     1
 ASSI {  691}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 68   and name HN  ))
      4.800     2.800     1.200 peak   691 spectrum    1 weight  0.10000E+01 volume  0.20827E-02 ppm1      8.389 ppm2      6.878 CV     1
 ASSI {  692}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 65   and name HA  ))
      2.700     0.900     0.900 peak   692 spectrum    1 weight  0.10000E+01 volume  0.10912E-01 ppm1      8.387 ppm2      4.612 CV     1
 ASSI {  694}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 64   and name HA  ))
      2.300     0.600     0.600 peak   694 spectrum    1 weight  0.10000E+01 volume  0.21968E-01 ppm1      8.387 ppm2      4.228 CV     1
 ASSI {  696}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 68   and name HG2 ))
      4.500     2.500     1.500 peak   696 spectrum    1 weight  0.10000E+01 volume  0.49087E-02 ppm1      8.386 ppm2      2.405 CV     1
 OR {  696}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 68   and name HG1 ))
 ASSI {  697}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 69   and name HB1 ))
      3.600     1.600     1.600 peak   697 spectrum    1 weight  0.10000E+01 volume  0.12222E-01 ppm1      8.387 ppm2      2.215 CV     1
 ASSI {  702}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 64   and name HG  ))
      3.300     1.300     1.300 peak   702 spectrum    1 weight  0.10000E+01 volume  0.17930E-01 ppm1      8.388 ppm2      0.743 CV     1
 ASSI {  703}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 66   and name HD2 ))
      5.000     3.200     1.000 peak   703 spectrum    1 weight  0.10000E+01 volume  0.18138E-02 ppm1      8.384 ppm2      3.626 CV     1
 ASSI {  705}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 32   and name HN  ))
      3.600     1.600     1.600 peak   705 spectrum    1 weight  0.10000E+01 volume  0.47179E-03 ppm1      8.259 ppm2      9.000 CV     1
 ASSI {  706}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 30   and name HG2 ))
      4.800     2.900     1.200 peak   706 spectrum    1 weight  0.10000E+01 volume  0.32627E-02 ppm1      8.261 ppm2      2.175 CV     1
 ASSI {  708}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 64   and name HB2 ))
      3.700     1.700     1.700 peak   708 spectrum    1 weight  0.10000E+01 volume  0.66759E-02 ppm1      8.245 ppm2      1.778 CV     1
 ASSI {  710}
   (( segid "    " and resid 146  and name HN  ))
   (( segid "    " and resid 147  and name HN  ))
      2.600     0.800     0.800 peak   710 spectrum    1 weight  0.10000E+01 volume  0.96978E-02 ppm1      7.881 ppm2      7.464 CV     1
 ASSI {  712}
   (( segid "    " and resid 146  and name HN  ))
   (( segid "    " and resid 145  and name HN  ))
      2.300     0.700     0.700 peak   712 spectrum    1 weight  0.10000E+01 volume  0.12755E-01 ppm1      7.880 ppm2      6.770 CV     1
 ASSI {  713}
   (( segid "    " and resid 146  and name HN  ))
   (( segid "    " and resid 142  and name HA  ))
      4.300     2.300     1.700 peak   713 spectrum    1 weight  0.10000E+01 volume  0.25107E-02 ppm1      7.884 ppm2      4.802 CV     1
 ASSI {  714}
   (( segid "    " and resid 146  and name HN  ))
   (( segid "    " and resid 145  and name HA  ))
      3.500     1.500     1.500 peak   714 spectrum    1 weight  0.10000E+01 volume  0.35830E-02 ppm1      7.879 ppm2      4.251 CV     1
 ASSI {  715}
   (( segid "    " and resid 146  and name HN  ))
   (( segid "    " and resid 143  and name HA  ))
      3.500     1.500     1.500 peak   715 spectrum    1 weight  0.10000E+01 volume  0.36273E-02 ppm1      7.880 ppm2      4.078 CV     1
 ASSI {  716}
   (( segid "    " and resid 146  and name HN  ))
   (( segid "    " and resid 146  and name HA  ))
      3.000     1.100     1.100 peak   716 spectrum    1 weight  0.10000E+01 volume  0.76391E-02 ppm1      7.881 ppm2      3.658 CV     1
 ASSI {  717}
   (( segid "    " and resid 146  and name HN  ))
   (( segid "    " and resid 144  and name HA  ))
      4.900     3.000     1.100 peak   717 spectrum    1 weight  0.10000E+01 volume  0.40806E-03 ppm1      7.881 ppm2      3.518 CV     1
 ASSI {  720}
   (( segid "    " and resid 146  and name HN  ))
   (( segid "    " and resid 141  and name HG2 ))
      3.800     1.800     1.800 peak   720 spectrum    1 weight  0.10000E+01 volume  0.49187E-02 ppm1      7.883 ppm2      2.085 CV     1
 ASSI {  721}
   (( segid "    " and resid 146  and name HN  ))
   (( segid "    " and resid 146  and name HB  ))
      2.400     0.700     0.700 peak   721 spectrum    1 weight  0.10000E+01 volume  0.15118E-01 ppm1      7.880 ppm2      1.780 CV     1
 ASSI {  723}
   (( segid "    " and resid 146  and name HN  ))
   (( segid "    " and resid 146  and name HG12))
      3.100     1.200     1.200 peak   723 spectrum    1 weight  0.10000E+01 volume  0.14692E-01 ppm1      7.880 ppm2      0.965 CV     1
 ASSI {  724}
   (( segid "    " and resid 146  and name HN  ))
   (  segid "    " and resid 146  and name HG2%)
      3.800     1.800     1.800 peak   724 spectrum    1 weight  0.10000E+01 volume  0.92071E-02 ppm1      7.881 ppm2      0.739 CV     1
 ASSI {  725}
   (( segid "    " and resid 146  and name HN  ))
   (  segid "    " and resid 125  and name HD2%)
      3.900     1.900     1.900 peak   725 spectrum    1 weight  0.10000E+01 volume  0.89549E-02 ppm1      7.882 ppm2      0.459 CV     1
 OR {  725}
   (( segid "    " and resid 146  and name HN  ))
   (  segid "    " and resid 125  and name HD1%)
 ASSI {  729}
   (( segid "    " and resid 135  and name HN  ))
   (( segid "    " and resid 136  and name HB  ))
      6.000     6.000     0.000 peak   729 spectrum    1 weight  0.10000E+01 volume  0.13088E-03 ppm1      7.220 ppm2      1.970 CV     1
 ASSI {  731}
   (( segid "    " and resid 135  and name HN  ))
   (  segid "    " and resid 135  and name HD2%)
      4.100     2.100     1.900 peak   731 spectrum    1 weight  0.10000E+01 volume  0.57090E-02 ppm1      7.219 ppm2      0.366 CV     1
 ASSI {  732}
   (( segid "    " and resid 135  and name HN  ))
   (  segid "    " and resid 135  and name HD1%)
      4.600     2.600     1.400 peak   732 spectrum    1 weight  0.10000E+01 volume  0.36396E-02 ppm1      7.218 ppm2      0.116 CV     1
 ASSI {  733}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 53   and name HN  ))
      5.200     3.400     0.800 peak   733 spectrum    1 weight  0.10000E+01 volume  0.85807E-03 ppm1      8.557 ppm2      8.851 CV     1
 ASSI {  736}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 10   and name HD21))
      2.600     2.600     3.400 peak   736 spectrum    1 weight  0.10000E+01 volume  0.35382E-02 ppm1      8.563 ppm2      6.494 CV     1
 ASSI {  737}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 53   and name HB1 ))
      5.100     3.300     0.900 peak   737 spectrum    1 weight  0.10000E+01 volume  0.76757E-03 ppm1      8.557 ppm2      2.887 CV     1
 ASSI {  738}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 53   and name HB2 ))
      3.100     1.200     1.200 peak   738 spectrum    1 weight  0.10000E+01 volume  0.63886E-02 ppm1      8.556 ppm2      2.234 CV     1
 ASSI {  739}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 14   and name HB1 ))
      4.500     2.500     1.500 peak   739 spectrum    1 weight  0.10000E+01 volume  0.46604E-03 ppm1      8.559 ppm2      1.865 CV     1
 ASSI {  740}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 54   and name HB1 ))
      2.900     1.100     1.100 peak   740 spectrum    1 weight  0.10000E+01 volume  0.57965E-02 ppm1      8.556 ppm2      0.958 CV     1
 ASSI {  741}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 54   and name HB2 ))
      3.400     1.400     1.400 peak   741 spectrum    1 weight  0.10000E+01 volume  0.34074E-02 ppm1      8.558 ppm2      0.377 CV     1
 ASSI {  743}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 10   and name HA  ))
      5.100     3.200     0.900 peak   743 spectrum    1 weight  0.10000E+01 volume  0.60275E-03 ppm1      8.551 ppm2      4.645 CV     1
 ASSI {  744}
   (( segid "    " and resid 54   and name HN  ))
   (  segid "    " and resid 18   and name HG2%)
      4.400     2.400     1.600 peak   744 spectrum    1 weight  0.10000E+01 volume  0.25729E-02 ppm1      8.551 ppm2      0.619 CV     1
 ASSI {  745}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 62   and name HN  ))
      4.600     2.600     1.400 peak   745 spectrum    1 weight  0.10000E+01 volume  0.19070E-02 ppm1      8.259 ppm2      9.213 CV     1
 ASSI {  748}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 31   and name HA  ))
      3.200     1.300     1.300 peak   748 spectrum    1 weight  0.10000E+01 volume  0.83861E-02 ppm1      8.257 ppm2      5.912 CV     1
 ASSI {  749}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 62   and name HA  ))
      2.200     0.600     0.600 peak   749 spectrum    1 weight  0.10000E+01 volume  0.17978E-01 ppm1      8.259 ppm2      5.515 CV     1
 ASSI {  750}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 63   and name HA  ))
      3.200     1.200     1.200 peak   750 spectrum    1 weight  0.10000E+01 volume  0.58380E-02 ppm1      8.258 ppm2      4.981 CV     1
 ASSI {  752}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 63   and name HB2 ))
      2.800     1.000     1.000 peak   752 spectrum    1 weight  0.10000E+01 volume  0.12239E-01 ppm1      8.258 ppm2      4.062 CV     1
 OR {  752}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 63   and name HB1 ))
 ASSI {  753}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 62   and name HB  ))
      3.400     1.400     1.400 peak   753 spectrum    1 weight  0.10000E+01 volume  0.91250E-02 ppm1      8.258 ppm2      3.834 CV     1
 ASSI {  754}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 31   and name HB1 ))
      4.600     2.600     1.400 peak   754 spectrum    1 weight  0.10000E+01 volume  0.39022E-02 ppm1      8.261 ppm2      3.592 CV     1
 OR {  754}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 31   and name HB2 ))
 ASSI {  755}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 30   and name HB1 ))
      3.100     1.200     1.200 peak   755 spectrum    1 weight  0.10000E+01 volume  0.46572E-02 ppm1      8.260 ppm2      2.412 CV     1
 ASSI {  756}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 30   and name HB2 ))
      3.700     1.700     1.700 peak   756 spectrum    1 weight  0.10000E+01 volume  0.53164E-02 ppm1      8.260 ppm2      2.005 CV     1
 ASSI {  757}
   (( segid "    " and resid 63   and name HN  ))
   (  segid "    " and resid 62   and name HG2%)
      4.100     2.100     1.900 peak   757 spectrum    1 weight  0.10000E+01 volume  0.51335E-02 ppm1      8.259 ppm2      1.096 CV     1
 ASSI {  760}
   (( segid "    " and resid 135  and name HN  ))
   (( segid "    " and resid 134  and name HN  ))
      2.600     0.800     0.800 peak   760 spectrum    1 weight  0.10000E+01 volume  0.13446E-01 ppm1      7.220 ppm2      8.281 CV     1
 ASSI {  762}
   (( segid "    " and resid 135  and name HN  ))
   (( segid "    " and resid 142  and name HA  ))
      3.300     3.300     2.700 peak   762 spectrum    1 weight  0.10000E+01 volume  0.10678E-01 ppm1      7.220 ppm2      4.803 CV     1
 ASSI {  763}
   (( segid "    " and resid 135  and name HN  ))
   (( segid "    " and resid 134  and name HA  ))
      3.200     1.300     1.300 peak   763 spectrum    1 weight  0.10000E+01 volume  0.56134E-02 ppm1      7.220 ppm2      4.548 CV     1
 ASSI {  764}
   (( segid "    " and resid 135  and name HN  ))
   (( segid "    " and resid 135  and name HA  ))
      2.800     1.000     1.000 peak   764 spectrum    1 weight  0.10000E+01 volume  0.11924E-01 ppm1      7.219 ppm2      3.844 CV     1
 ASSI {  765}
   (( segid "    " and resid 135  and name HN  ))
   (( segid "    " and resid 134  and name HG1 ))
      4.000     2.000     2.000 peak   765 spectrum    1 weight  0.10000E+01 volume  0.46145E-02 ppm1      7.219 ppm2      2.303 CV     1
 OR {  765}
   (( segid "    " and resid 135  and name HN  ))
   (( segid "    " and resid 134  and name HB1 ))
 ASSI {  766}
   (( segid "    " and resid 135  and name HN  ))
   (( segid "    " and resid 135  and name HB1 ))
      2.500     0.800     0.800 peak   766 spectrum    1 weight  0.10000E+01 volume  0.21131E-01 ppm1      7.220 ppm2      1.735 CV     1
 ASSI {  767}
   (( segid "    " and resid 135  and name HN  ))
   (( segid "    " and resid 135  and name HB2 ))
      2.400     0.700     0.700 peak   767 spectrum    1 weight  0.10000E+01 volume  0.23810E-01 ppm1      7.219 ppm2      1.298 CV     1
 ASSI {  768}
   (( segid "    " and resid 135  and name HN  ))
   (( segid "    " and resid 143  and name HG  ))
      3.500     3.500     2.500 peak   768 spectrum    1 weight  0.10000E+01 volume  0.15182E-01 ppm1      7.219 ppm2      0.998 CV     1
 ASSI {  772}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 54   and name HA  ))
      4.600     2.600     1.400 peak   772 spectrum    1 weight  0.10000E+01 volume  0.54213E-03 ppm1      8.555 ppm2      5.470 CV     1
 ASSI {  773}
   (( segid "    " and resid 54   and name HN  ))
   (  segid "    " and resid 54   and name HD2%)
      6.000     4.400     0.000 peak   773 spectrum    1 weight  0.10000E+01 volume  0.86376E-03 ppm1      8.559 ppm2     -0.631 CV     1
 OR {  773}
   (( segid "    " and resid 54   and name HN  ))
   (  segid "    " and resid 54   and name HD1%)
 ASSI {  776}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 73   and name HA  ))
      4.400     2.500     1.600 peak   776 spectrum    1 weight  0.10000E+01 volume  0.71115E-03 ppm1      8.009 ppm2      4.345 CV     1
 ASSI {  777}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 75   and name HA  ))
      3.700     1.700     1.700 peak   777 spectrum    1 weight  0.10000E+01 volume  0.33759E-02 ppm1      8.010 ppm2      4.158 CV     1
 ASSI {  778}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 77   and name HB2 ))
      3.900     3.900     2.100 peak   778 spectrum    1 weight  0.10000E+01 volume  0.78458E-02 ppm1      8.009 ppm2      1.839 CV     1
 ASSI {  779}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 75   and name HN  ))
      2.600     0.800     0.800 peak   779 spectrum    1 weight  0.10000E+01 volume  0.11181E-01 ppm1      8.004 ppm2      7.691 CV     1
 ASSI {  780}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 73   and name HB  ))
      4.100     2.100     1.900 peak   780 spectrum    1 weight  0.10000E+01 volume  0.32243E-02 ppm1      8.006 ppm2      3.951 CV     1
 ASSI {  781}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 76   and name HA  ))
      3.000     1.100     1.100 peak   781 spectrum    1 weight  0.10000E+01 volume  0.64950E-02 ppm1      8.005 ppm2      3.598 CV     1
 ASSI {  783}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 28   and name HG11))
      3.800     1.800     1.800 peak   783 spectrum    1 weight  0.10000E+01 volume  0.75514E-02 ppm1      8.003 ppm2      2.078 CV     1
 OR {  783}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 28   and name HG12))
 ASSI {  785}
   (( segid "    " and resid 76   and name HN  ))
   (  segid "    " and resid 96   and name HD2%)
      4.100     2.100     1.900 peak   785 spectrum    1 weight  0.10000E+01 volume  0.42151E-02 ppm1      8.003 ppm2      1.129 CV     1
 OR {  785}
   (( segid "    " and resid 76   and name HN  ))
   (  segid "    " and resid 96   and name HD1%)
 ASSI {  786}
   (( segid "    " and resid 76   and name HN  ))
   (  segid "    " and resid 76   and name HG2%)
      3.000     3.000     3.000 peak   786 spectrum    1 weight  0.10000E+01 volume  0.35896E-01 ppm1      8.005 ppm2      0.814 CV     1
 ASSI {  788}
   (( segid "    " and resid 25   and name HN  ))
   (  segid "    " and resid 24   and name HB% )
      3.100     1.200     1.200 peak   788 spectrum    1 weight  0.10000E+01 volume  0.12353E-01 ppm1      9.347 ppm2      1.567 CV     1
 ASSI {  799}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 73   and name HN  ))
      2.600     0.800     0.800 peak   799 spectrum    1 weight  0.10000E+01 volume  0.10303E-01 ppm1      8.921 ppm2      9.339 CV     1
 ASSI {  803}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 74   and name HA  ))
      3.000     1.100     1.100 peak   803 spectrum    1 weight  0.10000E+01 volume  0.72929E-02 ppm1      8.921 ppm2      4.213 CV     1
 ASSI {  804}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 73   and name HB  ))
      4.000     2.000     2.000 peak   804 spectrum    1 weight  0.10000E+01 volume  0.16399E-02 ppm1      8.923 ppm2      3.964 CV     1
 ASSI {  806}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 74   and name HB2 ))
      2.600     0.800     0.800 peak   806 spectrum    1 weight  0.10000E+01 volume  0.13299E-01 ppm1      8.919 ppm2      2.249 CV     1
 ASSI {  807}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 75   and name HB1 ))
      3.600     1.600     1.600 peak   807 spectrum    1 weight  0.10000E+01 volume  0.13456E-01 ppm1      8.919 ppm2      1.905 CV     1
 ASSI {  809}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 75   and name HN  ))
      2.600     0.800     0.800 peak   809 spectrum    1 weight  0.10000E+01 volume  0.10442E-01 ppm1      8.918 ppm2      7.701 CV     1
 ASSI {  810}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 74   and name HG2 ))
      2.700     0.900     0.900 peak   810 spectrum    1 weight  0.10000E+01 volume  0.63046E-02 ppm1      8.918 ppm2      2.947 CV     1
 ASSI {  812}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 70   and name HG  ))
      3.800     1.800     1.800 peak   812 spectrum    1 weight  0.10000E+01 volume  0.44510E-02 ppm1      8.915 ppm2      1.347 CV     1
 ASSI {  813}
   (( segid "    " and resid 74   and name HN  ))
   (  segid "    " and resid 73   and name HG2%)
      3.600     1.700     1.700 peak   813 spectrum    1 weight  0.10000E+01 volume  0.85661E-02 ppm1      8.918 ppm2      1.065 CV     1
 ASSI {  815}
   (( segid "    " and resid 74   and name HN  ))
   (  segid "    " and resid 70   and name HD1%)
      6.000     6.000     0.000 peak   815 spectrum    1 weight  0.10000E+01 volume  0.13840E-03 ppm1      8.917 ppm2      0.525 CV     1
 ASSI {  817}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 78   and name HN  ))
      2.500     0.800     0.800 peak   817 spectrum    1 weight  0.10000E+01 volume  0.11900E-01 ppm1      8.782 ppm2      7.975 CV     1
 ASSI {  847}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 22   and name HN  ))
      5.100     3.200     0.900 peak   847 spectrum    1 weight  0.10000E+01 volume  0.67717E-03 ppm1      9.347 ppm2      8.499 CV     1
 ASSI {  850}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 25   and name HB1 ))
      3.300     1.400     1.400 peak   850 spectrum    1 weight  0.10000E+01 volume  0.10395E-01 ppm1      9.347 ppm2      2.121 CV     1
 ASSI {  851}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 25   and name HG  ))
      2.200     0.600     0.600 peak   851 spectrum    1 weight  0.10000E+01 volume  0.18450E-01 ppm1      9.346 ppm2      1.973 CV     1
 ASSI {  854}
   (( segid "    " and resid 25   and name HN  ))
   (  segid "    " and resid 25   and name HD2%)
      3.000     1.200     1.200 peak   854 spectrum    1 weight  0.10000E+01 volume  0.31544E-01 ppm1      9.348 ppm2      0.830 CV     1
 OR {  854}
   (( segid "    " and resid 25   and name HN  ))
   (  segid "    " and resid 25   and name HD1%)
 ASSI {  855}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 76   and name HA  ))
      3.500     1.500     1.500 peak   855 spectrum    1 weight  0.10000E+01 volume  0.39784E-02 ppm1      8.779 ppm2      3.589 CV     1
 ASSI {  856}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 79   and name HG2 ))
      3.000     1.100     1.100 peak   856 spectrum    1 weight  0.10000E+01 volume  0.11285E-01 ppm1      8.781 ppm2      2.570 CV     1
 ASSI {  857}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 75   and name HB2 ))
      1.800     1.800     4.200 peak   857 spectrum    1 weight  0.10000E+01 volume  0.26715E-01 ppm1      8.780 ppm2      2.312 CV     1
 ASSI {  858}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 75   and name HB1 ))
      2.300     2.300     3.700 peak   858 spectrum    1 weight  0.10000E+01 volume  0.74668E-02 ppm1      8.782 ppm2      1.939 CV     1
 ASSI {  861}
   (( segid "    " and resid 79   and name HN  ))
   (  segid "    " and resid 76   and name HG2%)
      4.000     2.000     2.000 peak   861 spectrum    1 weight  0.10000E+01 volume  0.47025E-02 ppm1      8.780 ppm2      0.827 CV     1
 ASSI {  872}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 25   and name HN  ))
      2.400     0.700     0.700 peak   872 spectrum    1 weight  0.10000E+01 volume  0.16137E-01 ppm1      7.919 ppm2      9.345 CV     1
 ASSI {  875}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 23   and name HN  ))
      2.200     0.600     0.600 peak   875 spectrum    1 weight  0.10000E+01 volume  0.28160E-01 ppm1      7.920 ppm2      7.422 CV     1
 ASSI {  876}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 20   and name HA  ))
      2.400     2.400     3.600 peak   876 spectrum    1 weight  0.10000E+01 volume  0.35218E-01 ppm1      7.920 ppm2      4.182 CV     1
 ASSI {  878}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 23   and name HB1 ))
      2.300     0.600     0.600 peak   878 spectrum    1 weight  0.10000E+01 volume  0.37643E-01 ppm1      7.920 ppm2      1.960 CV     1
 OR {  878}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 23   and name HB2 ))
 ASSI {  879}
   (( segid "    " and resid 24   and name HN  ))
   (  segid "    " and resid 24   and name HB% )
      2.200     0.600     0.600 peak   879 spectrum    1 weight  0.10000E+01 volume  0.44524E-01 ppm1      7.920 ppm2      1.568 CV     1
 ASSI {  880}
   (( segid "    " and resid 24   and name HN  ))
   (  segid "    " and resid 22   and name HD1%)
      4.000     2.000     2.000 peak   880 spectrum    1 weight  0.10000E+01 volume  0.92358E-02 ppm1      7.918 ppm2      1.161 CV     1
 ASSI {  884}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 54   and name HA  ))
      5.300     3.500     0.700 peak   884 spectrum    1 weight  0.10000E+01 volume  0.65677E-03 ppm1     10.308 ppm2      5.475 CV     1
 ASSI {  885}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 41   and name HD2 ))
      4.900     3.000     1.100 peak   885 spectrum    1 weight  0.10000E+01 volume  0.27796E-02 ppm1     10.308 ppm2      2.852 CV     1
 ASSI {  886}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 52   and name HB2 ))
      5.400     3.600     0.600 peak   886 spectrum    1 weight  0.10000E+01 volume  0.11511E-02 ppm1     10.306 ppm2      2.649 CV     1
 ASSI {  890}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 31   and name HA  ))
      4.300     2.400     1.700 peak   890 spectrum    1 weight  0.10000E+01 volume  0.42999E-02 ppm1      9.233 ppm2      5.912 CV     1
 ASSI {  891}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 62   and name HA  ))
      3.200     1.300     1.300 peak   891 spectrum    1 weight  0.10000E+01 volume  0.34182E-02 ppm1      9.232 ppm2      5.518 CV     1
 ASSI {  892}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 61   and name HA  ))
      2.000     0.500     0.500 peak   892 spectrum    1 weight  0.10000E+01 volume  0.44763E-01 ppm1      9.232 ppm2      4.758 CV     1
 ASSI {  894}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 2    and name HA  ))
      2.900     1.000     1.000 peak   894 spectrum    1 weight  0.10000E+01 volume  0.94309E-02 ppm1      9.232 ppm2      4.216 CV     1
 ASSI {  895}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 62   and name HB  ))
      3.300     1.400     1.400 peak   895 spectrum    1 weight  0.10000E+01 volume  0.46923E-02 ppm1      9.232 ppm2      3.835 CV     1
 ASSI {  897}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 61   and name HG1 ))
      4.200     2.200     1.800 peak   897 spectrum    1 weight  0.10000E+01 volume  0.61412E-02 ppm1      9.233 ppm2      1.948 CV     1
 ASSI {  899}
   (( segid "    " and resid 62   and name HN  ))
   (  segid "    " and resid 2    and name HG1%)
      2.800     2.800     3.200 peak   899 spectrum    1 weight  0.10000E+01 volume  0.23960E-02 ppm1      9.233 ppm2      0.125 CV     1
 ASSI {  901}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 64   and name HN  ))
      6.000     4.600     0.000 peak   901 spectrum    1 weight  0.10000E+01 volume  0.89221E-03 ppm1      9.228 ppm2      8.544 CV     1
 ASSI {  902}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 61   and name HG2 ))
      4.300     2.300     1.700 peak   902 spectrum    1 weight  0.10000E+01 volume  0.36747E-02 ppm1      9.231 ppm2      2.218 CV     1
 ASSI {  907}
   (( segid "    " and resid 62   and name HN  ))
   (  segid "    " and resid 60   and name HD1%)
      3.200     3.200     2.800 peak   907 spectrum    1 weight  0.10000E+01 volume  0.13113E-01 ppm1      9.231 ppm2      0.777 CV     1
 ASSI {  912}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 48   and name HN  ))
      2.700     0.900     0.900 peak   912 spectrum    1 weight  0.10000E+01 volume  0.15331E-01 ppm1      8.890 ppm2      8.586 CV     1
 ASSI {  913}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 50   and name HN  ))
      2.700     0.900     0.900 peak   913 spectrum    1 weight  0.10000E+01 volume  0.75848E-02 ppm1      8.890 ppm2      7.813 CV     1
 ASSI {  914}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 49   and name HA  ))
      2.700     0.900     0.900 peak   914 spectrum    1 weight  0.10000E+01 volume  0.15787E-01 ppm1      8.891 ppm2      4.671 CV     1
 ASSI {  915}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 47   and name HA  ))
      3.300     1.400     1.400 peak   915 spectrum    1 weight  0.10000E+01 volume  0.66180E-02 ppm1      8.892 ppm2      4.473 CV     1
 ASSI {  916}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 48   and name HA  ))
      3.000     1.100     1.100 peak   916 spectrum    1 weight  0.10000E+01 volume  0.12953E-01 ppm1      8.890 ppm2      4.306 CV     1
 ASSI {  917}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 49   and name HB2 ))
      2.800     1.000     1.000 peak   917 spectrum    1 weight  0.10000E+01 volume  0.27043E-01 ppm1      8.890 ppm2      2.684 CV     1
 ASSI {  919}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 48   and name HB2 ))
      3.000     1.200     1.200 peak   919 spectrum    1 weight  0.10000E+01 volume  0.11744E-01 ppm1      8.888 ppm2      2.300 CV     1
 ASSI {  922}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 19   and name HB2 ))
      5.600     3.900     0.400 peak   922 spectrum    1 weight  0.10000E+01 volume  0.88457E-03 ppm1      8.733 ppm2      2.848 CV     1
 ASSI {  925}
   (( segid "    " and resid 18   and name HN  ))
   (  segid "    " and resid 18   and name HG1%)
      4.500     2.500     1.500 peak   925 spectrum    1 weight  0.10000E+01 volume  0.53278E-02 ppm1      8.730 ppm2      0.242 CV     1
 ASSI {  926}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 40   and name HN  ))
      5.300     3.500     0.700 peak   926 spectrum    1 weight  0.10000E+01 volume  0.85199E-03 ppm1      8.674 ppm2      9.102 CV     1
 ASSI {  928}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 38   and name HN  ))
      4.600     2.600     1.400 peak   928 spectrum    1 weight  0.10000E+01 volume  0.19295E-02 ppm1      8.665 ppm2      9.299 CV     1
 ASSI {  930}
   (( segid "    " and resid 39   and name HN  ))
   (  segid "    " and resid 39   and name HD% )
      2.700     0.900     0.900 peak   930 spectrum    1 weight  0.10000E+01 volume  0.67346E-02 ppm1      8.669 ppm2      6.955 CV     1
 ASSI {  931}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 39   and name HA  ))
      3.000     1.100     1.100 peak   931 spectrum    1 weight  0.10000E+01 volume  0.58622E-02 ppm1      8.667 ppm2      5.247 CV     1
 ASSI {  934}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 38   and name HB1 ))
      2.500     0.800     0.800 peak   934 spectrum    1 weight  0.10000E+01 volume  0.80706E-02 ppm1      8.671 ppm2      3.727 CV     1
 ASSI {  936}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 39   and name HB2 ))
      2.500     0.800     0.800 peak   936 spectrum    1 weight  0.10000E+01 volume  0.12944E-01 ppm1      8.669 ppm2      3.357 CV     1
 ASSI {  937}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 158  and name HB2 ))
      5.500     3.800     0.500 peak   937 spectrum    1 weight  0.10000E+01 volume  0.18955E-02 ppm1      8.667 ppm2      3.079 CV     1
 ASSI {  938}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 39   and name HB1 ))
      3.800     1.800     1.800 peak   938 spectrum    1 weight  0.10000E+01 volume  0.84144E-02 ppm1      8.670 ppm2      2.762 CV     1
 ASSI {  939}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 157  and name HG2 ))
      3.400     1.500     1.500 peak   939 spectrum    1 weight  0.10000E+01 volume  0.35699E-02 ppm1      8.666 ppm2      1.616 CV     1
 ASSI {  941}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 54   and name HG  ))
      5.100     3.300     0.900 peak   941 spectrum    1 weight  0.10000E+01 volume  0.26169E-02 ppm1      8.668 ppm2      0.231 CV     1
 ASSI {  942}
   (( segid "    " and resid 39   and name HN  ))
   (  segid "    " and resid 54   and name HD1%)
      6.000     6.000     0.000 peak   942 spectrum    1 weight  0.10000E+01 volume  0.14413E-03 ppm1      8.668 ppm2     -0.648 CV     1
 OR {  942}
   (( segid "    " and resid 39   and name HN  ))
   (  segid "    " and resid 54   and name HD2%)
 ASSI {  944}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 70   and name HN  ))
      2.700     0.900     0.900 peak   944 spectrum    1 weight  0.10000E+01 volume  0.11261E-01 ppm1      8.232 ppm2      7.826 CV     1
 ASSI {  945}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 72   and name HD2 ))
      4.500     2.500     1.500 peak   945 spectrum    1 weight  0.10000E+01 volume  0.21897E-02 ppm1      8.234 ppm2      7.248 CV     1
 ASSI {  946}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 68   and name HN  ))
      2.200     0.600     0.600 peak   946 spectrum    1 weight  0.10000E+01 volume  0.16646E-01 ppm1      8.232 ppm2      6.875 CV     1
 ASSI {  948}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 68   and name HA  ))
      3.300     1.400     1.400 peak   948 spectrum    1 weight  0.10000E+01 volume  0.51351E-02 ppm1      8.237 ppm2      4.345 CV     1
 ASSI {  949}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 69   and name HA  ))
      2.800     1.000     1.000 peak   949 spectrum    1 weight  0.10000E+01 volume  0.91341E-02 ppm1      8.235 ppm2      4.184 CV     1
 ASSI {  950}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 66   and name HD2 ))
      4.600     2.700     1.400 peak   950 spectrum    1 weight  0.10000E+01 volume  0.23943E-02 ppm1      8.234 ppm2      3.637 CV     1
 ASSI {  951}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 66   and name HA  ))
      3.300     1.400     1.400 peak   951 spectrum    1 weight  0.10000E+01 volume  0.53488E-02 ppm1      8.233 ppm2      3.353 CV     1
 ASSI {  952}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 68   and name HG2 ))
      4.100     2.100     1.900 peak   952 spectrum    1 weight  0.10000E+01 volume  0.38199E-02 ppm1      8.232 ppm2      2.402 CV     1
 OR {  952}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 68   and name HG1 ))
 ASSI {  953}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 69   and name HB1 ))
      2.200     0.600     0.600 peak   953 spectrum    1 weight  0.10000E+01 volume  0.26675E-01 ppm1      8.233 ppm2      2.210 CV     1
 ASSI {  954}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 67   and name HG2 ))
      6.000     5.000     0.000 peak   954 spectrum    1 weight  0.10000E+01 volume  0.94600E-03 ppm1      8.235 ppm2      1.979 CV     1
 ASSI {  955}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 64   and name HB2 ))
      4.000     2.000     2.000 peak   955 spectrum    1 weight  0.10000E+01 volume  0.11193E-01 ppm1      8.229 ppm2      1.780 CV     1
 ASSI {  956}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 69   and name HG  ))
      4.200     2.200     1.800 peak   956 spectrum    1 weight  0.10000E+01 volume  0.57155E-02 ppm1      8.230 ppm2      1.623 CV     1
 ASSI {  957}
   (( segid "    " and resid 69   and name HN  ))
   (  segid "    " and resid 65   and name HB% )
      3.700     1.700     1.700 peak   957 spectrum    1 weight  0.10000E+01 volume  0.71456E-02 ppm1      8.232 ppm2      1.460 CV     1
 ASSI {  958}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 69   and name HB2 ))
      2.400     0.700     0.700 peak   958 spectrum    1 weight  0.10000E+01 volume  0.18964E-01 ppm1      8.233 ppm2      1.314 CV     1
 ASSI {  959}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 98   and name HG11))
      3.400     3.400     2.600 peak   959 spectrum    1 weight  0.10000E+01 volume  0.16570E-01 ppm1      8.234 ppm2      0.998 CV     1
 ASSI {  961}
   (( segid "    " and resid 69   and name HN  ))
   (  segid "    " and resid 64   and name HD1%)
      3.100     1.200     1.200 peak   961 spectrum    1 weight  0.10000E+01 volume  0.71987E-02 ppm1      8.231 ppm2      0.692 CV     1
 OR {  961}
   (( segid "    " and resid 69   and name HN  ))
   (  segid "    " and resid 64   and name HD2%)
 ASSI {  972}
   (( segid "    " and resid 141  and name HN  ))
   (( segid "    " and resid 137  and name HN  ))
      2.900     1.100     1.100 peak   972 spectrum    1 weight  0.10000E+01 volume  0.66859E-02 ppm1      7.982 ppm2      9.238 CV     1
 ASSI {  973}
   (( segid "    " and resid 141  and name HN  ))
   (( segid "    " and resid 142  and name HA  ))
      4.000     2.000     2.000 peak   973 spectrum    1 weight  0.10000E+01 volume  0.33521E-02 ppm1      7.987 ppm2      4.792 CV     1
 ASSI {  974}
   (( segid "    " and resid 141  and name HN  ))
   (( segid "    " and resid 137  and name HB1 ))
      3.700     1.700     1.700 peak   974 spectrum    1 weight  0.10000E+01 volume  0.93005E-02 ppm1      7.981 ppm2      3.363 CV     1
 ASSI {  975}
   (( segid "    " and resid 141  and name HN  ))
   (( segid "    " and resid 141  and name HG2 ))
      4.000     2.000     2.000 peak   975 spectrum    1 weight  0.10000E+01 volume  0.34013E-02 ppm1      7.984 ppm2      2.072 CV     1
 ASSI {  977}
   (( segid "    " and resid 141  and name HN  ))
   (( segid "    " and resid 140  and name HN  ))
      2.400     0.700     0.700 peak   977 spectrum    1 weight  0.10000E+01 volume  0.14647E-01 ppm1      7.981 ppm2      8.371 CV     1
 ASSI {  993}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 43   and name HD1 ))
      5.100     3.200     0.900 peak   993 spectrum    1 weight  0.10000E+01 volume  0.10026E-02 ppm1     10.314 ppm2      3.830 CV     1
 OR {  993}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 43   and name HD2 ))
 ASSI {  996}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 158  and name HE3 ))
      4.800     2.900     1.200 peak   996 spectrum    1 weight  0.10000E+01 volume  0.38531E-02 ppm1     10.304 ppm2      7.408 CV     1
 ASSI {  997}
   (( segid "    " and resid 42   and name HN  ))
   (  segid "    " and resid 53   and name HD% )
      4.800     2.900     1.200 peak   997 spectrum    1 weight  0.10000E+01 volume  0.56416E-03 ppm1     10.304 ppm2      6.527 CV     1
 ASSI {  998}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 41   and name HA  ))
      2.600     0.800     0.800 peak   998 spectrum    1 weight  0.10000E+01 volume  0.11619E-01 ppm1     10.306 ppm2      6.084 CV     1
 ASSI {  999}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 42   and name HA  ))
      3.200     1.300     1.300 peak   999 spectrum    1 weight  0.10000E+01 volume  0.43803E-02 ppm1     10.307 ppm2      5.150 CV     1
 ASSI { 1002}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 42   and name HB  ))
      3.800     1.800     1.800 peak  1002 spectrum    1 weight  0.10000E+01 volume  0.26740E-02 ppm1     10.306 ppm2      4.369 CV     1
 ASSI { 1003}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 158  and name HA  ))
      6.000     6.000     0.000 peak  1003 spectrum    1 weight  0.10000E+01 volume  0.14073E-03 ppm1     10.308 ppm2      3.997 CV     1
 ASSI { 1005}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 41   and name HB1 ))
      4.500     2.600     1.500 peak  1005 spectrum    1 weight  0.10000E+01 volume  0.31188E-02 ppm1     10.309 ppm2      1.720 CV     1
 OR { 1005}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 41   and name HB2 ))
 ASSI { 1006}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 41   and name HG2 ))
      3.200     1.300     1.300 peak  1006 spectrum    1 weight  0.10000E+01 volume  0.45568E-02 ppm1     10.308 ppm2      1.633 CV     1
 ASSI { 1007}
   (( segid "    " and resid 42   and name HN  ))
   (  segid "    " and resid 42   and name HG2%)
      3.300     1.300     1.300 peak  1007 spectrum    1 weight  0.10000E+01 volume  0.70309E-02 ppm1     10.307 ppm2      1.433 CV     1
 ASSI { 1010}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 19   and name HN  ))
      2.400     0.700     0.700 peak  1010 spectrum    1 weight  0.10000E+01 volume  0.19020E-01 ppm1      8.731 ppm2      8.130 CV     1
 ASSI { 1011}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 80   and name HE21))
      5.700     4.000     0.300 peak  1011 spectrum    1 weight  0.10000E+01 volume  0.66143E-03 ppm1      8.724 ppm2      7.890 CV     1
 ASSI { 1012}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 80   and name HE22))
      5.500     3.800     0.500 peak  1012 spectrum    1 weight  0.10000E+01 volume  0.99280E-03 ppm1      8.731 ppm2      7.445 CV     1
 ASSI { 1015}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 17   and name HA  ))
      3.300     1.400     1.400 peak  1015 spectrum    1 weight  0.10000E+01 volume  0.47442E-02 ppm1      8.730 ppm2      3.979 CV     1
 ASSI { 1016}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 18   and name HA  ))
      2.700     0.900     0.900 peak  1016 spectrum    1 weight  0.10000E+01 volume  0.98062E-02 ppm1      8.731 ppm2      3.422 CV     1
 ASSI { 1017}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 17   and name HG2 ))
      4.200     2.200     1.800 peak  1017 spectrum    1 weight  0.10000E+01 volume  0.54998E-02 ppm1      8.730 ppm2      2.647 CV     1
 OR { 1017}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 17   and name HG1 ))
 ASSI { 1019}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 17   and name HB2 ))
      2.400     0.700     0.700 peak  1019 spectrum    1 weight  0.10000E+01 volume  0.20092E-01 ppm1      8.731 ppm2      2.143 CV     1
 OR { 1019}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 17   and name HB1 ))
 ASSI { 1021}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 18   and name HB  ))
      2.400     0.700     0.700 peak  1021 spectrum    1 weight  0.10000E+01 volume  0.19257E-01 ppm1      8.731 ppm2      1.525 CV     1
 ASSI { 1022}
   (( segid "    " and resid 18   and name HN  ))
   (  segid "    " and resid 18   and name HG2%)
      2.500     0.800     0.800 peak  1022 spectrum    1 weight  0.10000E+01 volume  0.14090E-01 ppm1      8.731 ppm2      0.624 CV     1
 ASSI { 1024}
   (( segid "    " and resid 18   and name HN  ))
   (  segid "    " and resid 54   and name HD2%)
      5.000     3.100     1.000 peak  1024 spectrum    1 weight  0.10000E+01 volume  0.33495E-02 ppm1      8.730 ppm2     -0.630 CV     1
 ASSI { 1031}
   (( segid "    " and resid 154  and name HN  ))
   (( segid "    " and resid 153  and name HA  ))
      2.200     2.200     3.800 peak  1031 spectrum    1 weight  0.10000E+01 volume  0.50769E-01 ppm1      8.306 ppm2      4.568 CV     1
 ASSI { 1032}
   (( segid "    " and resid 154  and name HN  ))
   (( segid "    " and resid 154  and name HA  ))
      2.700     0.900     0.900 peak  1032 spectrum    1 weight  0.10000E+01 volume  0.16191E-01 ppm1      8.305 ppm2      2.961 CV     1
 ASSI { 1034}
   (( segid "    " and resid 154  and name HN  ))
   (( segid "    " and resid 153  and name HB2 ))
      3.200     1.300     1.300 peak  1034 spectrum    1 weight  0.10000E+01 volume  0.14573E-01 ppm1      8.306 ppm2      2.589 CV     1
 ASSI { 1035}
   (( segid "    " and resid 154  and name HN  ))
   (( segid "    " and resid 154  and name HB2 ))
      2.400     0.700     0.700 peak  1035 spectrum    1 weight  0.10000E+01 volume  0.41238E-01 ppm1      8.305 ppm2      1.415 CV     1
 OR { 1035}
   (( segid "    " and resid 154  and name HN  ))
   (( segid "    " and resid 154  and name HB1 ))
 ASSI { 1036}
   (( segid "    " and resid 154  and name HN  ))
   (( segid "    " and resid 154  and name HG2 ))
      3.100     1.200     1.200 peak  1036 spectrum    1 weight  0.10000E+01 volume  0.15225E-01 ppm1      8.306 ppm2      1.184 CV     1
 ASSI { 1037}
   (( segid "    " and resid 154  and name HN  ))
   (( segid "    " and resid 154  and name HG1 ))
      2.500     0.800     0.800 peak  1037 spectrum    1 weight  0.10000E+01 volume  0.93739E-02 ppm1      8.306 ppm2      0.754 CV     1
 ASSI { 1040}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 55   and name HN  ))
      6.000     4.900     0.000 peak  1040 spectrum    1 weight  0.10000E+01 volume  0.44416E-03 ppm1      8.909 ppm2      9.429 CV     1
 ASSI { 1042}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 55   and name HD22))
      4.200     2.200     1.800 peak  1042 spectrum    1 weight  0.10000E+01 volume  0.31340E-02 ppm1      8.908 ppm2      7.991 CV     1
 ASSI { 1044}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 55   and name HA  ))
      2.800     1.000     1.000 peak  1044 spectrum    1 weight  0.10000E+01 volume  0.10775E-01 ppm1      8.909 ppm2      6.210 CV     1
 ASSI { 1045}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 8    and name HA1 ))
      3.000     3.000     3.000 peak  1045 spectrum    1 weight  0.10000E+01 volume  0.15277E-02 ppm1      8.910 ppm2      5.749 CV     1
 ASSI { 1047}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 55   and name HB1 ))
      3.800     1.800     1.800 peak  1047 spectrum    1 weight  0.10000E+01 volume  0.56700E-02 ppm1      8.911 ppm2      3.347 CV     1
 ASSI { 1048}
   (( segid "    " and resid 56   and name HN  ))
   (  segid "    " and resid 56   and name HB% )
      3.000     1.100     1.100 peak  1048 spectrum    1 weight  0.10000E+01 volume  0.13795E-01 ppm1      8.911 ppm2      1.423 CV     1
 ASSI { 1050}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 54   and name HG  ))
      3.400     3.400     2.600 peak  1050 spectrum    1 weight  0.10000E+01 volume  0.34352E-02 ppm1      8.909 ppm2      0.235 CV     1
 ASSI { 1051}
   (( segid "    " and resid 56   and name HN  ))
   (  segid "    " and resid 58   and name HG1%)
      5.300     3.500     0.700 peak  1051 spectrum    1 weight  0.10000E+01 volume  0.39967E-03 ppm1      8.901 ppm2      0.988 CV     1
 OR { 1051}
   (( segid "    " and resid 56   and name HN  ))
   (  segid "    " and resid 58   and name HG2%)
 ASSI { 1055}
   (( segid "    " and resid 111  and name HN  ))
   (( segid "    " and resid 112  and name HN  ))
      4.700     2.800     1.300 peak  1055 spectrum    1 weight  0.10000E+01 volume  0.24373E-02 ppm1      7.630 ppm2      9.766 CV     1
 ASSI { 1056}
   (( segid "    " and resid 111  and name HN  ))
   (( segid "    " and resid 108  and name HN  ))
      3.300     1.300     1.300 peak  1056 spectrum    1 weight  0.10000E+01 volume  0.76532E-02 ppm1      7.632 ppm2      8.969 CV     1
 ASSI { 1059}
   (( segid "    " and resid 111  and name HN  ))
   (( segid "    " and resid 107  and name HA  ))
      4.600     2.700     1.400 peak  1059 spectrum    1 weight  0.10000E+01 volume  0.22806E-02 ppm1      7.631 ppm2      5.514 CV     1
 ASSI { 1060}
   (( segid "    " and resid 111  and name HN  ))
   (( segid "    " and resid 112  and name HA  ))
      6.000     5.900     0.000 peak  1060 spectrum    1 weight  0.10000E+01 volume  0.14341E-03 ppm1      7.633 ppm2      5.228 CV     1
 ASSI { 1063}
   (( segid "    " and resid 111  and name HN  ))
   (( segid "    " and resid 110  and name HA  ))
      3.400     1.400     1.400 peak  1063 spectrum    1 weight  0.10000E+01 volume  0.64044E-02 ppm1      7.630 ppm2      4.230 CV     1
 ASSI { 1064}
   (( segid "    " and resid 111  and name HN  ))
   (( segid "    " and resid 111  and name HA  ))
      2.800     1.000     1.000 peak  1064 spectrum    1 weight  0.10000E+01 volume  0.79136E-02 ppm1      7.633 ppm2      3.905 CV     1
 ASSI { 1065}
   (( segid "    " and resid 111  and name HN  ))
   (( segid "    " and resid 109  and name HB2 ))
      4.400     2.400     1.600 peak  1065 spectrum    1 weight  0.10000E+01 volume  0.60590E-02 ppm1      7.634 ppm2      2.035 CV     1
 OR { 1065}
   (( segid "    " and resid 111  and name HN  ))
   (( segid "    " and resid 109  and name HB1 ))
 ASSI { 1066}
   (( segid "    " and resid 111  and name HN  ))
   (( segid "    " and resid 110  and name HG2 ))
      4.300     2.300     1.700 peak  1066 spectrum    1 weight  0.10000E+01 volume  0.54298E-02 ppm1      7.633 ppm2      1.785 CV     1
 OR { 1066}
   (( segid "    " and resid 111  and name HN  ))
   (( segid "    " and resid 110  and name HG1 ))
 ASSI { 1067}
   (( segid "    " and resid 111  and name HN  ))
   (( segid "    " and resid 110  and name HB1 ))
      3.900     1.900     1.900 peak  1067 spectrum    1 weight  0.10000E+01 volume  0.59344E-02 ppm1      7.632 ppm2      1.647 CV     1
 ASSI { 1068}
   (( segid "    " and resid 111  and name HN  ))
   (( segid "    " and resid 111  and name HB2 ))
      2.500     0.800     0.800 peak  1068 spectrum    1 weight  0.10000E+01 volume  0.17747E-01 ppm1      7.632 ppm2      1.346 CV     1
 ASSI { 1069}
   (( segid "    " and resid 111  and name HN  ))
   (( segid "    " and resid 111  and name HB1 ))
      2.300     0.600     0.600 peak  1069 spectrum    1 weight  0.10000E+01 volume  0.19011E-01 ppm1      7.632 ppm2      0.921 CV     1
 ASSI { 1072}
   (( segid "    " and resid 111  and name HN  ))
   (  segid "    " and resid 111  and name HD1%)
      3.700     1.700     1.700 peak  1072 spectrum    1 weight  0.10000E+01 volume  0.11062E-01 ppm1      7.631 ppm2      0.346 CV     1
 ASSI { 1073}
   (( segid "    " and resid 111  and name HN  ))
   (( segid "    " and resid 71   and name HD21))
      4.300     2.300     1.700 peak  1073 spectrum    1 weight  0.10000E+01 volume  0.10789E-02 ppm1      7.626 ppm2      7.469 CV     1
 ASSI { 1075}
   (( segid "    " and resid 156  and name HN  ))
   (  segid "    " and resid 40   and name HD% )
      4.000     2.000     2.000 peak  1075 spectrum    1 weight  0.10000E+01 volume  0.46390E-02 ppm1      9.327 ppm2      7.052 CV     1
 ASSI { 1076}
   (( segid "    " and resid 156  and name HN  ))
   (( segid "    " and resid 154  and name HA  ))
      2.800     2.800     3.200 peak  1076 spectrum    1 weight  0.10000E+01 volume  0.23111E-02 ppm1      9.327 ppm2      3.005 CV     1
 ASSI { 1078}
   (( segid "    " and resid 156  and name HN  ))
   (( segid "    " and resid 155  and name HG  ))
      2.400     2.400     3.600 peak  1078 spectrum    1 weight  0.10000E+01 volume  0.57998E-02 ppm1      9.318 ppm2      0.777 CV     1
 ASSI { 1081}
   (( segid "    " and resid 105  and name HN  ))
   (( segid "    " and resid 105  and name HA  ))
      2.900     1.000     1.000 peak  1081 spectrum    1 weight  0.10000E+01 volume  0.67730E-02 ppm1      8.190 ppm2      4.652 CV     1
 ASSI { 1082}
   (( segid "    " and resid 105  and name HN  ))
   (( segid "    " and resid 104  and name HA  ))
      2.200     0.600     0.600 peak  1082 spectrum    1 weight  0.10000E+01 volume  0.47520E-01 ppm1      8.190 ppm2      4.265 CV     1
 ASSI { 1084}
   (( segid "    " and resid 105  and name HN  ))
   (( segid "    " and resid 104  and name HG1 ))
      4.500     2.500     1.500 peak  1084 spectrum    1 weight  0.10000E+01 volume  0.60449E-02 ppm1      8.194 ppm2      2.576 CV     1
 ASSI { 1085}
   (( segid "    " and resid 105  and name HN  ))
   (( segid "    " and resid 104  and name HB2 ))
      3.100     1.200     1.200 peak  1085 spectrum    1 weight  0.10000E+01 volume  0.10645E-01 ppm1      8.191 ppm2      2.389 CV     1
 ASSI { 1086}
   (( segid "    " and resid 105  and name HN  ))
   (  segid "    " and resid 105  and name HG2%)
      2.800     1.000     1.000 peak  1086 spectrum    1 weight  0.10000E+01 volume  0.27721E-01 ppm1      8.190 ppm2      1.032 CV     1
 OR { 1086}
   (( segid "    " and resid 105  and name HN  ))
   (  segid "    " and resid 105  and name HG1%)
 ASSI { 1087}
   (( segid "    " and resid 105  and name HN  ))
   (  segid "    " and resid 106  and name HD1%)
      4.500     2.500     1.500 peak  1087 spectrum    1 weight  0.10000E+01 volume  0.15278E-02 ppm1      8.193 ppm2      0.636 CV     1
 ASSI { 1088}
   (( segid "    " and resid 105  and name HN  ))
   (( segid "    " and resid 106  and name HN  ))
      3.700     1.700     1.700 peak  1088 spectrum    1 weight  0.10000E+01 volume  0.34062E-02 ppm1      8.188 ppm2      9.381 CV     1
 ASSI { 1090}
   (( segid "    " and resid 105  and name HN  ))
   (( segid "    " and resid 104  and name HB1 ))
      3.200     1.300     1.300 peak  1090 spectrum    1 weight  0.10000E+01 volume  0.10168E-01 ppm1      8.188 ppm2      2.182 CV     1
 ASSI { 1091}
   (( segid "    " and resid 105  and name HN  ))
   (( segid "    " and resid 105  and name HB  ))
      2.700     0.900     0.900 peak  1091 spectrum    1 weight  0.10000E+01 volume  0.19345E-01 ppm1      8.188 ppm2      2.008 CV     1
 ASSI { 1098}
   (( segid "    " and resid 118  and name HN  ))
   (  segid "    " and resid 116  and name HD% )
      3.300     3.300     2.700 peak  1098 spectrum    1 weight  0.10000E+01 volume  0.86416E-03 ppm1      7.550 ppm2      6.652 CV     1
 ASSI { 1099}
   (( segid "    " and resid 118  and name HN  ))
   (( segid "    " and resid 117  and name HA  ))
      3.700     1.700     1.700 peak  1099 spectrum    1 weight  0.10000E+01 volume  0.48142E-02 ppm1      7.547 ppm2      5.074 CV     1
 ASSI { 1100}
   (( segid "    " and resid 118  and name HN  ))
   (( segid "    " and resid 99   and name HA  ))
      5.500     3.800     0.500 peak  1100 spectrum    1 weight  0.10000E+01 volume  0.47699E-03 ppm1      7.550 ppm2      4.575 CV     1
 ASSI { 1101}
   (( segid "    " and resid 118  and name HN  ))
   (( segid "    " and resid 119  and name HA  ))
      3.800     1.800     1.800 peak  1101 spectrum    1 weight  0.10000E+01 volume  0.75519E-02 ppm1      7.549 ppm2      3.837 CV     1
 ASSI { 1102}
   (( segid "    " and resid 118  and name HN  ))
   (( segid "    " and resid 118  and name HG2 ))
      2.800     1.000     1.000 peak  1102 spectrum    1 weight  0.10000E+01 volume  0.91667E-02 ppm1      7.549 ppm2      3.318 CV     1
 OR { 1102}
   (( segid "    " and resid 118  and name HN  ))
   (( segid "    " and resid 118  and name HG1 ))
 ASSI { 1104}
   (( segid "    " and resid 118  and name HN  ))
   (( segid "    " and resid 124  and name HB2 ))
      3.800     1.800     1.800 peak  1104 spectrum    1 weight  0.10000E+01 volume  0.10838E-01 ppm1      7.548 ppm2      2.168 CV     1
 OR { 1104}
   (( segid "    " and resid 118  and name HN  ))
   (( segid "    " and resid 124  and name HB1 ))
 ASSI { 1106}
   (( segid "    " and resid 118  and name HN  ))
   (( segid "    " and resid 117  and name HB1 ))
      3.000     1.100     1.100 peak  1106 spectrum    1 weight  0.10000E+01 volume  0.47612E-02 ppm1      7.550 ppm2      1.523 CV     1
 ASSI { 1107}
   (( segid "    " and resid 118  and name HN  ))
   (( segid "    " and resid 119  and name HG2 ))
      3.500     1.600     1.600 peak  1107 spectrum    1 weight  0.10000E+01 volume  0.80207E-02 ppm1      7.551 ppm2      1.325 CV     1
 ASSI { 1111}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 25   and name HN  ))
      3.800     1.800     1.800 peak  1111 spectrum    1 weight  0.10000E+01 volume  0.28612E-02 ppm1      7.423 ppm2      9.349 CV     1
 ASSI { 1112}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 22   and name HN  ))
      2.400     0.700     0.700 peak  1112 spectrum    1 weight  0.10000E+01 volume  0.16375E-01 ppm1      7.423 ppm2      8.504 CV     1
 ASSI { 1114}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 19   and name HA  ))
      4.400     2.400     1.600 peak  1114 spectrum    1 weight  0.10000E+01 volume  0.17637E-02 ppm1      7.423 ppm2      4.586 CV     1
 ASSI { 1115}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 20   and name HA  ))
      2.900     1.000     1.000 peak  1115 spectrum    1 weight  0.10000E+01 volume  0.13245E-01 ppm1      7.424 ppm2      4.157 CV     1
 ASSI { 1117}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 23   and name HB2 ))
      2.000     0.500     0.500 peak  1117 spectrum    1 weight  0.10000E+01 volume  0.63758E-01 ppm1      7.424 ppm2      1.958 CV     1
 OR { 1117}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 23   and name HB1 ))
 ASSI { 1119}
   (( segid "    " and resid 23   and name HN  ))
   (  segid "    " and resid 22   and name HD1%)
      3.000     1.100     1.100 peak  1119 spectrum    1 weight  0.10000E+01 volume  0.73150E-02 ppm1      7.422 ppm2      1.137 CV     1
 ASSI { 1123}
   (( segid "    " and resid 156  and name HN  ))
   (  segid "    " and resid 155  and name HD2%)
      4.800     2.800     1.200 peak  1123 spectrum    1 weight  0.10000E+01 volume  0.29232E-02 ppm1      9.325 ppm2      0.490 CV     1
 ASSI { 1125}
   (( segid "    " and resid 156  and name HN  ))
   (( segid "    " and resid 156  and name HD22))
      3.800     1.800     1.800 peak  1125 spectrum    1 weight  0.10000E+01 volume  0.61625E-02 ppm1      9.314 ppm2      7.785 CV     1
 ASSI { 1126}
   (( segid "    " and resid 156  and name HN  ))
   (( segid "    " and resid 156  and name HA  ))
      2.900     1.100     1.100 peak  1126 spectrum    1 weight  0.10000E+01 volume  0.99616E-02 ppm1      9.320 ppm2      4.931 CV     1
 ASSI { 1127}
   (( segid "    " and resid 156  and name HN  ))
   (( segid "    " and resid 155  and name HA  ))
      2.200     0.600     0.600 peak  1127 spectrum    1 weight  0.10000E+01 volume  0.27189E-01 ppm1      9.320 ppm2      4.454 CV     1
 ASSI { 1128}
   (( segid "    " and resid 156  and name HN  ))
   (( segid "    " and resid 156  and name HB1 ))
      2.700     0.900     0.900 peak  1128 spectrum    1 weight  0.10000E+01 volume  0.22989E-01 ppm1      9.320 ppm2      2.861 CV     1
 OR { 1128}
   (( segid "    " and resid 156  and name HN  ))
   (( segid "    " and resid 156  and name HB2 ))
 ASSI { 1129}
   (( segid "    " and resid 156  and name HN  ))
   (( segid "    " and resid 154  and name HB1 ))
      2.000     2.000     4.000 peak  1129 spectrum    1 weight  0.10000E+01 volume  0.17462E-01 ppm1      9.321 ppm2      1.409 CV     1
 OR { 1129}
   (( segid "    " and resid 156  and name HN  ))
   (( segid "    " and resid 154  and name HB2 ))
 ASSI { 1132}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 48   and name HE21))
      4.000     2.000     2.000 peak  1132 spectrum    1 weight  0.10000E+01 volume  0.17449E-02 ppm1      8.596 ppm2      7.784 CV     1
 ASSI { 1135}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 48   and name HE22))
      6.000     4.500     0.000 peak  1135 spectrum    1 weight  0.10000E+01 volume  0.50833E-03 ppm1      8.588 ppm2      7.054 CV     1
 ASSI { 1136}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 49   and name HA  ))
      6.000     5.100     0.000 peak  1136 spectrum    1 weight  0.10000E+01 volume  0.51262E-03 ppm1      8.590 ppm2      4.678 CV     1
 ASSI { 1137}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 47   and name HA  ))
      2.600     0.800     0.800 peak  1137 spectrum    1 weight  0.10000E+01 volume  0.26048E-01 ppm1      8.588 ppm2      4.470 CV     1
 ASSI { 1138}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 48   and name HA  ))
      2.900     1.000     1.000 peak  1138 spectrum    1 weight  0.10000E+01 volume  0.10246E-01 ppm1      8.589 ppm2      4.308 CV     1
 ASSI { 1141}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 48   and name HB2 ))
      3.500     1.500     1.500 peak  1141 spectrum    1 weight  0.10000E+01 volume  0.85215E-02 ppm1      8.589 ppm2      2.291 CV     1
 ASSI { 1144}
   (( segid "    " and resid 85   and name HN  ))
   (( segid "    " and resid 84   and name HD1 ))
      2.700     2.700     3.300 peak  1144 spectrum    1 weight  0.10000E+01 volume  0.25879E-02 ppm1      8.323 ppm2      3.223 CV     1
 OR { 1144}
   (( segid "    " and resid 85   and name HN  ))
   (( segid "    " and resid 84   and name HD2 ))
 ASSI { 1146}
   (( segid "    " and resid 85   and name HN  ))
   (( segid "    " and resid 85   and name HA  ))
      3.300     1.400     1.400 peak  1146 spectrum    1 weight  0.10000E+01 volume  0.57164E-02 ppm1      8.319 ppm2      4.445 CV     1
 ASSI { 1148}
   (( segid "    " and resid 129  and name HN  ))
   (( segid "    " and resid 130  and name HN  ))
      2.800     1.000     1.000 peak  1148 spectrum    1 weight  0.10000E+01 volume  0.76596E-02 ppm1      8.659 ppm2      7.751 CV     1
 ASSI { 1149}
   (( segid "    " and resid 129  and name HN  ))
   (  segid "    " and resid 129  and name HD% )
      4.400     2.400     1.600 peak  1149 spectrum    1 weight  0.10000E+01 volume  0.58659E-02 ppm1      8.659 ppm2      7.187 CV     1
 ASSI { 1153}
   (( segid "    " and resid 129  and name HN  ))
   (( segid "    " and resid 129  and name HB2 ))
      2.600     0.800     0.800 peak  1153 spectrum    1 weight  0.10000E+01 volume  0.12061E-01 ppm1      8.660 ppm2      3.172 CV     1
 ASSI { 1154}
   (( segid "    " and resid 129  and name HN  ))
   (( segid "    " and resid 129  and name HB1 ))
      2.500     0.800     0.800 peak  1154 spectrum    1 weight  0.10000E+01 volume  0.15866E-01 ppm1      8.659 ppm2      2.887 CV     1
 ASSI { 1155}
   (( segid "    " and resid 129  and name HN  ))
   (( segid "    " and resid 128  and name HB2 ))
      3.300     1.300     1.300 peak  1155 spectrum    1 weight  0.10000E+01 volume  0.11134E-01 ppm1      8.659 ppm2      2.026 CV     1
 ASSI { 1156}
   (( segid "    " and resid 129  and name HN  ))
   (( segid "    " and resid 133  and name HB1 ))
      4.000     2.000     2.000 peak  1156 spectrum    1 weight  0.10000E+01 volume  0.52332E-02 ppm1      8.659 ppm2      1.507 CV     1
 ASSI { 1157}
   (( segid "    " and resid 129  and name HN  ))
   (( segid "    " and resid 128  and name HG  ))
      3.900     1.900     1.900 peak  1157 spectrum    1 weight  0.10000E+01 volume  0.52661E-02 ppm1      8.659 ppm2      0.318 CV     1
 ASSI { 1159}
   (( segid "    " and resid 129  and name HN  ))
   (( segid "    " and resid 133  and name HA  ))
      5.100     3.200     0.900 peak  1159 spectrum    1 weight  0.10000E+01 volume  0.16891E-02 ppm1      8.655 ppm2      4.142 CV     1
 ASSI { 1162}
   (( segid "    " and resid 129  and name HN  ))
   (  segid "    " and resid 128  and name HD2%)
      3.500     1.500     1.500 peak  1162 spectrum    1 weight  0.10000E+01 volume  0.11723E-01 ppm1      8.657 ppm2      0.593 CV     1
 OR { 1162}
   (( segid "    " and resid 129  and name HN  ))
   (  segid "    " and resid 128  and name HD1%)
 ASSI { 1163}
   (( segid "    " and resid 129  and name HN  ))
   (  segid "    " and resid 147  and name HD1%)
      4.100     2.100     1.900 peak  1163 spectrum    1 weight  0.10000E+01 volume  0.48136E-02 ppm1      8.656 ppm2     -0.452 CV     1
 ASSI { 1165}
   (( segid "    " and resid 87   and name HN  ))
   (( segid "    " and resid 86   and name HN  ))
      4.300     2.300     1.700 peak  1165 spectrum    1 weight  0.10000E+01 volume  0.60624E-02 ppm1      8.347 ppm2      7.738 CV     1
 ASSI { 1166}
   (( segid "    " and resid 87   and name HN  ))
   (( segid "    " and resid 86   and name HA  ))
      2.300     0.700     0.700 peak  1166 spectrum    1 weight  0.10000E+01 volume  0.33758E-01 ppm1      8.351 ppm2      4.287 CV     1
 ASSI { 1167}
   (( segid "    " and resid 87   and name HN  ))
   (( segid "    " and resid 87   and name HG2 ))
      3.700     1.700     1.700 peak  1167 spectrum    1 weight  0.10000E+01 volume  0.61434E-02 ppm1      8.356 ppm2      2.326 CV     1
 OR { 1167}
   (( segid "    " and resid 87   and name HN  ))
   (( segid "    " and resid 87   and name HG1 ))
 ASSI { 1168}
   (( segid "    " and resid 87   and name HN  ))
   (( segid "    " and resid 87   and name HB1 ))
      2.500     0.800     0.800 peak  1168 spectrum    1 weight  0.10000E+01 volume  0.33053E-01 ppm1      8.354 ppm2      2.000 CV     1
 OR { 1168}
   (( segid "    " and resid 87   and name HN  ))
   (( segid "    " and resid 87   and name HB2 ))
 ASSI { 1169}
   (( segid "    " and resid 87   and name HN  ))
   (  segid "    " and resid 86   and name HB% )
      3.200     1.300     1.300 peak  1169 spectrum    1 weight  0.10000E+01 volume  0.24232E-01 ppm1      8.353 ppm2      1.439 CV     1
 ASSI { 1170}
   (( segid "    " and resid 85   and name HN  ))
   (  segid "    " and resid 83   and name HG1%)
      3.400     1.500     1.500 peak  1170 spectrum    1 weight  0.10000E+01 volume  0.72563E-02 ppm1      8.322 ppm2      0.964 CV     1
 OR { 1170}
   (( segid "    " and resid 85   and name HN  ))
   (  segid "    " and resid 83   and name HG2%)
 ASSI { 1171}
   (( segid "    " and resid 85   and name HN  ))
   (( segid "    " and resid 84   and name HN  ))
      4.200     2.200     1.800 peak  1171 spectrum    1 weight  0.10000E+01 volume  0.14053E-02 ppm1      8.319 ppm2      8.807 CV     1
 ASSI { 1173}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 3    and name HN  ))
      5.200     3.400     0.800 peak  1173 spectrum    1 weight  0.10000E+01 volume  0.91530E-03 ppm1      8.650 ppm2      9.238 CV     1
 ASSI { 1174}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 102  and name HN  ))
      3.700     1.700     1.700 peak  1174 spectrum    1 weight  0.10000E+01 volume  0.62910E-02 ppm1      8.651 ppm2      8.392 CV     1
 ASSI { 1175}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 100  and name HN  ))
      2.700     0.900     0.900 peak  1175 spectrum    1 weight  0.10000E+01 volume  0.85014E-02 ppm1      8.652 ppm2      7.520 CV     1
 ASSI { 1176}
   (( segid "    " and resid 4    and name HN  ))
   (  segid "    " and resid 4    and name HD% )
      2.500     0.800     0.800 peak  1176 spectrum    1 weight  0.10000E+01 volume  0.81035E-02 ppm1      8.651 ppm2      6.829 CV     1
 ASSI { 1177}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 4    and name HA  ))
      3.000     1.100     1.100 peak  1177 spectrum    1 weight  0.10000E+01 volume  0.58940E-02 ppm1      8.651 ppm2      5.559 CV     1
 ASSI { 1178}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 3    and name HA  ))
      2.000     0.500     0.500 peak  1178 spectrum    1 weight  0.10000E+01 volume  0.25221E-01 ppm1      8.651 ppm2      4.960 CV     1
 ASSI { 1179}
   (( segid "    " and resid 129  and name HN  ))
   (( segid "    " and resid 127  and name HA  ))
      3.100     1.200     1.200 peak  1179 spectrum    1 weight  0.10000E+01 volume  0.80889E-02 ppm1      8.652 ppm2      4.548 CV     1
 ASSI { 1181}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 4    and name HB1 ))
      3.200     1.300     1.300 peak  1181 spectrum    1 weight  0.10000E+01 volume  0.13245E-01 ppm1      8.650 ppm2      2.733 CV     1
 ASSI { 1198}
   (( segid "    " and resid 155  and name HN  ))
   (( segid "    " and resid 156  and name HN  ))
      3.700     1.700     1.700 peak  1198 spectrum    1 weight  0.10000E+01 volume  0.53141E-02 ppm1      7.673 ppm2      9.312 CV     1
 ASSI { 1200}
   (( segid "    " and resid 155  and name HN  ))
   (( segid "    " and resid 154  and name HN  ))
      4.600     2.600     1.400 peak  1200 spectrum    1 weight  0.10000E+01 volume  0.42171E-02 ppm1      7.676 ppm2      8.293 CV     1
 ASSI { 1202}
   (( segid "    " and resid 155  and name HN  ))
   (  segid "    " and resid 40   and name HD% )
      4.600     2.600     1.400 peak  1202 spectrum    1 weight  0.10000E+01 volume  0.29374E-02 ppm1      7.673 ppm2      7.038 CV     1
 ASSI { 1203}
   (( segid "    " and resid 155  and name HN  ))
   (( segid "    " and resid 126  and name HD1 ))
      4.100     2.100     1.900 peak  1203 spectrum    1 weight  0.10000E+01 volume  0.40484E-02 ppm1      7.677 ppm2      6.716 CV     1
 ASSI { 1204}
   (( segid "    " and resid 155  and name HN  ))
   (( segid "    " and resid 155  and name HA  ))
      2.500     0.800     0.800 peak  1204 spectrum    1 weight  0.10000E+01 volume  0.93812E-02 ppm1      7.677 ppm2      4.454 CV     1
 ASSI { 1205}
   (( segid "    " and resid 155  and name HN  ))
   (( segid "    " and resid 154  and name HA  ))
      2.500     0.800     0.800 peak  1205 spectrum    1 weight  0.10000E+01 volume  0.36650E-01 ppm1      7.677 ppm2      2.963 CV     1
 ASSI { 1206}
   (( segid "    " and resid 155  and name HN  ))
   (( segid "    " and resid 154  and name HB1 ))
      1.900     0.400     0.400 peak  1206 spectrum    1 weight  0.10000E+01 volume  0.56736E-01 ppm1      7.677 ppm2      1.412 CV     1
 OR { 1206}
   (( segid "    " and resid 155  and name HN  ))
   (( segid "    " and resid 154  and name HB2 ))
 ASSI { 1207}
   (( segid "    " and resid 155  and name HN  ))
   (( segid "    " and resid 154  and name HG2 ))
      4.200     2.200     1.800 peak  1207 spectrum    1 weight  0.10000E+01 volume  0.77435E-02 ppm1      7.674 ppm2      1.200 CV     1
 ASSI { 1208}
   (( segid "    " and resid 155  and name HN  ))
   (( segid "    " and resid 154  and name HG1 ))
      4.000     2.000     2.000 peak  1208 spectrum    1 weight  0.10000E+01 volume  0.14967E-01 ppm1      7.678 ppm2      0.765 CV     1
 ASSI { 1209}
   (( segid "    " and resid 155  and name HN  ))
   (  segid "    " and resid 155  and name HD2%)
      3.500     1.500     1.500 peak  1209 spectrum    1 weight  0.10000E+01 volume  0.82522E-02 ppm1      7.677 ppm2      0.494 CV     1
 OR { 1209}
   (( segid "    " and resid 155  and name HN  ))
   (  segid "    " and resid 155  and name HD1%)
 ASSI { 1212}
   (( segid "    " and resid 151  and name HN  ))
   (( segid "    " and resid 150  and name HN  ))
      2.600     0.800     0.800 peak  1212 spectrum    1 weight  0.10000E+01 volume  0.11612E-01 ppm1      7.523 ppm2      7.854 CV     1
 ASSI { 1214}
   (( segid "    " and resid 151  and name HN  ))
   (( segid "    " and resid 152  and name HN  ))
      2.600     0.900     0.900 peak  1214 spectrum    1 weight  0.10000E+01 volume  0.15010E-01 ppm1      7.523 ppm2      7.202 CV     1
 ASSI { 1215}
   (( segid "    " and resid 151  and name HN  ))
   (  segid "    " and resid 152  and name HD% )
      3.800     1.800     1.800 peak  1215 spectrum    1 weight  0.10000E+01 volume  0.34522E-02 ppm1      7.525 ppm2      7.053 CV     1
 ASSI { 1216}
   (( segid "    " and resid 151  and name HN  ))
   (( segid "    " and resid 152  and name HA  ))
      6.000     6.000     0.000 peak  1216 spectrum    1 weight  0.10000E+01 volume  0.12737E-03 ppm1      7.520 ppm2      4.637 CV     1
 ASSI { 1217}
   (( segid "    " and resid 151  and name HN  ))
   (( segid "    " and resid 148  and name HA  ))
      4.100     2.100     1.900 peak  1217 spectrum    1 weight  0.10000E+01 volume  0.18587E-02 ppm1      7.522 ppm2      4.462 CV     1
 ASSI { 1219}
   (( segid "    " and resid 151  and name HN  ))
   (( segid "    " and resid 147  and name HA  ))
      3.100     1.200     1.200 peak  1219 spectrum    1 weight  0.10000E+01 volume  0.21453E-02 ppm1      7.521 ppm2      3.679 CV     1
 ASSI { 1220}
   (( segid "    " and resid 151  and name HN  ))
   (( segid "    " and resid 152  and name HB2 ))
      6.000     5.100     0.000 peak  1220 spectrum    1 weight  0.10000E+01 volume  0.40328E-03 ppm1      7.519 ppm2      3.365 CV     1
 ASSI { 1221}
   (( segid "    " and resid 151  and name HN  ))
   (( segid "    " and resid 150  and name HG2 ))
      3.700     1.700     1.700 peak  1221 spectrum    1 weight  0.10000E+01 volume  0.57996E-02 ppm1      7.520 ppm2      1.445 CV     1
 ASSI { 1222}
   (( segid "    " and resid 151  and name HN  ))
   (  segid "    " and resid 151  and name HB% )
      2.700     0.900     0.900 peak  1222 spectrum    1 weight  0.10000E+01 volume  0.36258E-01 ppm1      7.523 ppm2      1.205 CV     1
 ASSI { 1224}
   (( segid "    " and resid 151  and name HN  ))
   (( segid "    " and resid 147  and name HG  ))
      3.800     1.800     1.800 peak  1224 spectrum    1 weight  0.10000E+01 volume  0.92584E-02 ppm1      7.522 ppm2      0.890 CV     1
 ASSI { 1225}
   (( segid "    " and resid 151  and name HN  ))
   (( segid "    " and resid 147  and name HB1 ))
      4.200     2.200     1.800 peak  1225 spectrum    1 weight  0.10000E+01 volume  0.14466E-02 ppm1      7.518 ppm2      0.689 CV     1
 ASSI { 1228}
   (( segid "    " and resid 122  and name HN  ))
   (( segid "    " and resid 123  and name HN  ))
      2.700     0.900     0.900 peak  1228 spectrum    1 weight  0.10000E+01 volume  0.79625E-02 ppm1      9.411 ppm2      6.955 CV     1
 ASSI { 1231}
   (( segid "    " and resid 122  and name HN  ))
   (( segid "    " and resid 154  and name HE1 ))
      3.100     1.200     1.200 peak  1231 spectrum    1 weight  0.10000E+01 volume  0.69103E-02 ppm1      9.412 ppm2      2.850 CV     1
 OR { 1231}
   (( segid "    " and resid 122  and name HN  ))
   (( segid "    " and resid 154  and name HE2 ))
 ASSI { 1232}
   (( segid "    " and resid 122  and name HN  ))
   (( segid "    " and resid 155  and name HG  ))
      3.500     1.600     1.600 peak  1232 spectrum    1 weight  0.10000E+01 volume  0.40193E-02 ppm1      9.413 ppm2      0.826 CV     1
 ASSI { 1235}
   (( segid "    " and resid 109  and name HN  ))
   (( segid "    " and resid 111  and name HG  ))
      6.000     6.000     0.000 peak  1235 spectrum    1 weight  0.10000E+01 volume  0.12570E-03 ppm1      8.881 ppm2      1.060 CV     1
 ASSI { 1238}
   (( segid "    " and resid 109  and name HN  ))
   (( segid "    " and resid 111  and name HN  ))
      3.400     1.500     1.500 peak  1238 spectrum    1 weight  0.10000E+01 volume  0.34720E-02 ppm1      8.875 ppm2      7.625 CV     1
 ASSI { 1240}
   (( segid "    " and resid 109  and name HN  ))
   (( segid "    " and resid 108  and name HB  ))
      2.100     0.500     0.500 peak  1240 spectrum    1 weight  0.10000E+01 volume  0.28518E-01 ppm1      8.876 ppm2      4.660 CV     1
 ASSI { 1241}
   (( segid "    " and resid 109  and name HN  ))
   (( segid "    " and resid 110  and name HA  ))
      6.000     4.600     0.000 peak  1241 spectrum    1 weight  0.10000E+01 volume  0.44107E-03 ppm1      8.878 ppm2      4.235 CV     1
 ASSI { 1242}
   (( segid "    " and resid 109  and name HN  ))
   (( segid "    " and resid 109  and name HA  ))
      2.800     0.900     0.900 peak  1242 spectrum    1 weight  0.10000E+01 volume  0.14526E-01 ppm1      8.875 ppm2      4.031 CV     1
 ASSI { 1243}
   (( segid "    " and resid 109  and name HN  ))
   (( segid "    " and resid 109  and name HG2 ))
      3.400     1.400     1.400 peak  1243 spectrum    1 weight  0.10000E+01 volume  0.85062E-02 ppm1      8.876 ppm2      2.302 CV     1
 ASSI { 1244}
   (( segid "    " and resid 109  and name HN  ))
   (( segid "    " and resid 109  and name HB2 ))
      2.300     0.700     0.700 peak  1244 spectrum    1 weight  0.10000E+01 volume  0.35556E-01 ppm1      8.875 ppm2      2.042 CV     1
 OR { 1244}
   (( segid "    " and resid 109  and name HN  ))
   (( segid "    " and resid 109  and name HB1 ))
 ASSI { 1245}
   (( segid "    " and resid 109  and name HN  ))
   (( segid "    " and resid 110  and name HG2 ))
      5.100     3.300     0.900 peak  1245 spectrum    1 weight  0.10000E+01 volume  0.20064E-02 ppm1      8.873 ppm2      1.786 CV     1
 OR { 1245}
   (( segid "    " and resid 109  and name HN  ))
   (( segid "    " and resid 110  and name HG1 ))
 ASSI { 1246}
   (( segid "    " and resid 109  and name HN  ))
   (  segid "    " and resid 108  and name HG2%)
      3.700     1.700     1.700 peak  1246 spectrum    1 weight  0.10000E+01 volume  0.15735E-01 ppm1      8.875 ppm2      1.220 CV     1
 ASSI { 1248}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 80   and name HE21))
      6.000     5.500     0.000 peak  1248 spectrum    1 weight  0.10000E+01 volume  0.42260E-03 ppm1      8.166 ppm2      7.894 CV     1
 ASSI { 1249}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 17   and name HE21))
      4.700     2.800     1.300 peak  1249 spectrum    1 weight  0.10000E+01 volume  0.34856E-02 ppm1      8.171 ppm2      7.704 CV     1
 ASSI { 1250}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 80   and name HE22))
      6.000     5.300     0.000 peak  1250 spectrum    1 weight  0.10000E+01 volume  0.40032E-03 ppm1      8.175 ppm2      7.439 CV     1
 ASSI { 1252}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 17   and name HE22))
      4.600     2.700     1.400 peak  1252 spectrum    1 weight  0.10000E+01 volume  0.57703E-02 ppm1      8.172 ppm2      6.841 CV     1
 ASSI { 1254}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 14   and name HA  ))
      3.400     1.400     1.400 peak  1254 spectrum    1 weight  0.10000E+01 volume  0.64482E-02 ppm1      8.167 ppm2      4.331 CV     1
 ASSI { 1255}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 16   and name HA  ))
      2.900     1.100     1.100 peak  1255 spectrum    1 weight  0.10000E+01 volume  0.10387E-01 ppm1      8.170 ppm2      4.100 CV     1
 ASSI { 1256}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 17   and name HA  ))
      2.700     0.900     0.900 peak  1256 spectrum    1 weight  0.10000E+01 volume  0.11457E-01 ppm1      8.170 ppm2      3.988 CV     1
 ASSI { 1258}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 17   and name HG2 ))
      2.600     0.900     0.900 peak  1258 spectrum    1 weight  0.10000E+01 volume  0.18163E-01 ppm1      8.171 ppm2      2.635 CV     1
 OR { 1258}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 17   and name HG1 ))
 ASSI { 1259}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 16   and name HB2 ))
      2.500     0.800     0.800 peak  1259 spectrum    1 weight  0.10000E+01 volume  0.16715E-01 ppm1      8.170 ppm2      2.288 CV     1
 ASSI { 1261}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 14   and name HB1 ))
      5.500     3.800     0.500 peak  1261 spectrum    1 weight  0.10000E+01 volume  0.10131E-02 ppm1      8.168 ppm2      1.872 CV     1
 ASSI { 1262}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 15   and name HB2 ))
      5.200     3.300     0.800 peak  1262 spectrum    1 weight  0.10000E+01 volume  0.29416E-02 ppm1      8.172 ppm2      1.711 CV     1
 ASSI { 1263}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 15   and name HG  ))
      4.000     2.000     2.000 peak  1263 spectrum    1 weight  0.10000E+01 volume  0.66429E-02 ppm1      8.171 ppm2      1.503 CV     1
 ASSI { 1269}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 19   and name HD21))
      3.300     1.400     1.400 peak  1269 spectrum    1 weight  0.10000E+01 volume  0.56585E-02 ppm1      8.103 ppm2      7.394 CV     1
 ASSI { 1271}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 19   and name HD22))
      3.900     1.900     1.900 peak  1271 spectrum    1 weight  0.10000E+01 volume  0.47731E-02 ppm1      8.101 ppm2      6.769 CV     1
 ASSI { 1272}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 19   and name HA  ))
      2.900     1.100     1.100 peak  1272 spectrum    1 weight  0.10000E+01 volume  0.10521E-01 ppm1      8.101 ppm2      4.585 CV     1
 ASSI { 1273}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 16   and name HA  ))
      3.100     1.200     1.200 peak  1273 spectrum    1 weight  0.10000E+01 volume  0.99795E-02 ppm1      8.101 ppm2      4.107 CV     1
 ASSI { 1275}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 19   and name HB2 ))
      2.400     0.700     0.700 peak  1275 spectrum    1 weight  0.10000E+01 volume  0.16912E-01 ppm1      8.102 ppm2      2.851 CV     1
 ASSI { 1276}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 19   and name HB1 ))
      3.600     1.700     1.700 peak  1276 spectrum    1 weight  0.10000E+01 volume  0.12284E-01 ppm1      8.102 ppm2      2.684 CV     1
 ASSI { 1283}
   (( segid "    " and resid 19   and name HN  ))
   (  segid "    " and resid 18   and name HG2%)
      4.200     2.200     1.800 peak  1283 spectrum    1 weight  0.10000E+01 volume  0.54645E-02 ppm1      8.101 ppm2      0.633 CV     1
 ASSI { 1284}
   (( segid "    " and resid 19   and name HN  ))
   (  segid "    " and resid 18   and name HG1%)
      3.700     1.700     1.700 peak  1284 spectrum    1 weight  0.10000E+01 volume  0.74932E-02 ppm1      8.102 ppm2      0.227 CV     1
 ASSI { 1285}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 80   and name HE21))
      5.000     3.100     1.000 peak  1285 spectrum    1 weight  0.10000E+01 volume  0.13880E-02 ppm1      8.096 ppm2      7.912 CV     1
 ASSI { 1287}
   (( segid "    " and resid 150  and name HN  ))
   (( segid "    " and resid 152  and name HN  ))
      4.300     2.300     1.700 peak  1287 spectrum    1 weight  0.10000E+01 volume  0.59850E-02 ppm1      7.854 ppm2      7.187 CV     1
 ASSI { 1292}
   (( segid "    " and resid 150  and name HN  ))
   (  segid "    " and resid 147  and name HD2%)
      6.000     4.500     0.000 peak  1292 spectrum    1 weight  0.10000E+01 volume  0.74498E-03 ppm1      7.861 ppm2     -0.537 CV     1
 ASSI { 1293}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 68   and name HN  ))
      4.000     2.000     2.000 peak  1293 spectrum    1 weight  0.10000E+01 volume  0.41500E-02 ppm1      7.844 ppm2      6.877 CV     1
 ASSI { 1294}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 70   and name HA  ))
      2.800     1.000     1.000 peak  1294 spectrum    1 weight  0.10000E+01 volume  0.76655E-02 ppm1      7.840 ppm2      4.580 CV     1
 ASSI { 1298}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 98   and name HG12))
      3.000     1.100     1.100 peak  1298 spectrum    1 weight  0.10000E+01 volume  0.14398E-01 ppm1      7.841 ppm2      1.860 CV     1
 ASSI { 1299}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 69   and name HG  ))
      3.800     1.800     1.800 peak  1299 spectrum    1 weight  0.10000E+01 volume  0.40886E-02 ppm1      7.842 ppm2      1.613 CV     1
 ASSI { 1301}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 98   and name HG11))
      2.600     2.600     3.400 peak  1301 spectrum    1 weight  0.10000E+01 volume  0.19296E-01 ppm1      7.842 ppm2      0.981 CV     1
 ASSI { 1306}
   (( segid "    " and resid 92   and name HN  ))
   (( segid "    " and resid 93   and name HN  ))
      4.700     2.700     1.300 peak  1306 spectrum    1 weight  0.10000E+01 volume  0.57407E-03 ppm1      9.324 ppm2      8.743 CV     1
 ASSI { 1307}
   (( segid "    " and resid 92   and name HN  ))
   (( segid "    " and resid 10   and name HN  ))
      5.300     3.500     0.700 peak  1307 spectrum    1 weight  0.10000E+01 volume  0.67789E-03 ppm1      9.326 ppm2      8.465 CV     1
 ASSI { 1308}
   (( segid "    " and resid 92   and name HN  ))
   (( segid "    " and resid 48   and name HE21))
      5.200     3.400     0.800 peak  1308 spectrum    1 weight  0.10000E+01 volume  0.41574E-03 ppm1      9.327 ppm2      7.791 CV     1
 ASSI { 1309}
   (( segid "    " and resid 92   and name HN  ))
   (( segid "    " and resid 91   and name HA  ))
      3.000     1.100     1.100 peak  1309 spectrum    1 weight  0.10000E+01 volume  0.10712E-01 ppm1      9.323 ppm2      4.735 CV     1
 ASSI { 1310}
   (( segid "    " and resid 92   and name HN  ))
   (( segid "    " and resid 92   and name HD1 ))
      3.900     1.900     1.900 peak  1310 spectrum    1 weight  0.10000E+01 volume  0.41041E-02 ppm1      9.323 ppm2      3.332 CV     1
 ASSI { 1311}
   (( segid "    " and resid 92   and name HN  ))
   (( segid "    " and resid 11   and name HB2 ))
      4.900     4.900     1.100 peak  1311 spectrum    1 weight  0.10000E+01 volume  0.15423E-02 ppm1      9.328 ppm2      0.947 CV     1
 ASSI { 1312}
   (( segid "    " and resid 92   and name HN  ))
   (( segid "    " and resid 11   and name HG  ))
      4.600     2.600     1.400 peak  1312 spectrum    1 weight  0.10000E+01 volume  0.17994E-02 ppm1      9.327 ppm2      0.821 CV     1
 ASSI { 1313}
   (( segid "    " and resid 92   and name HN  ))
   (  segid "    " and resid 11   and name HD1%)
      4.600     2.600     1.400 peak  1313 spectrum    1 weight  0.10000E+01 volume  0.27953E-02 ppm1      9.327 ppm2      0.744 CV     1
 OR { 1313}
   (( segid "    " and resid 92   and name HN  ))
   (  segid "    " and resid 11   and name HD2%)
 ASSI { 1314}
   (( segid "    " and resid 92   and name HN  ))
   (( segid "    " and resid 50   and name HN  ))
      3.300     3.300     2.700 peak  1314 spectrum    1 weight  0.10000E+01 volume  0.86009E-03 ppm1      9.322 ppm2      7.823 CV     1
 ASSI { 1315}
   (( segid "    " and resid 92   and name HN  ))
   (( segid "    " and resid 11   and name HN  ))
      4.400     2.400     1.600 peak  1315 spectrum    1 weight  0.10000E+01 volume  0.19945E-02 ppm1      9.319 ppm2      6.988 CV     1
 ASSI { 1316}
   (( segid "    " and resid 92   and name HN  ))
   (( segid "    " and resid 92   and name HA  ))
      3.100     1.200     1.200 peak  1316 spectrum    1 weight  0.10000E+01 volume  0.41569E-02 ppm1      9.321 ppm2      4.920 CV     1
 ASSI { 1318}
   (( segid "    " and resid 92   and name HN  ))
   (( segid "    " and resid 48   and name HB1 ))
      3.100     1.200     1.200 peak  1318 spectrum    1 weight  0.10000E+01 volume  0.92931E-02 ppm1      9.322 ppm2      2.055 CV     1
 ASSI { 1319}
   (( segid "    " and resid 92   and name HN  ))
   (( segid "    " and resid 91   and name HB2 ))
      3.200     1.300     1.300 peak  1319 spectrum    1 weight  0.10000E+01 volume  0.45887E-02 ppm1      9.319 ppm2      1.809 CV     1
 OR { 1319}
   (( segid "    " and resid 92   and name HN  ))
   (( segid "    " and resid 91   and name HB1 ))
 ASSI { 1320}
   (( segid "    " and resid 92   and name HN  ))
   (( segid "    " and resid 92   and name HB2 ))
      4.200     2.200     1.800 peak  1320 spectrum    1 weight  0.10000E+01 volume  0.19798E-02 ppm1      9.317 ppm2      1.646 CV     1
 ASSI { 1325}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 11   and name HB2 ))
      3.700     1.700     1.700 peak  1325 spectrum    1 weight  0.10000E+01 volume  0.54790E-02 ppm1      8.156 ppm2      0.949 CV     1
 ASSI { 1331}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 77   and name HA  ))
      3.800     1.800     1.800 peak  1331 spectrum    1 weight  0.10000E+01 volume  0.23764E-02 ppm1      7.985 ppm2      3.759 CV     1
 ASSI { 1332}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 76   and name HA  ))
      4.200     2.200     1.800 peak  1332 spectrum    1 weight  0.10000E+01 volume  0.15358E-02 ppm1      7.976 ppm2      3.588 CV     1
 ASSI { 1333}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 79   and name HB1 ))
      4.800     2.900     1.200 peak  1333 spectrum    1 weight  0.10000E+01 volume  0.28497E-02 ppm1      7.980 ppm2      2.290 CV     1
 ASSI { 1334}
   (( segid "    " and resid 150  and name HN  ))
   (( segid "    " and resid 149  and name HN  ))
      2.300     0.700     0.700 peak  1334 spectrum    1 weight  0.10000E+01 volume  0.13937E-01 ppm1      7.857 ppm2      8.355 CV     1
 ASSI { 1340}
   (( segid "    " and resid 150  and name HN  ))
   (  segid "    " and resid 151  and name HB% )
      3.000     3.000     3.000 peak  1340 spectrum    1 weight  0.10000E+01 volume  0.27623E-01 ppm1      7.856 ppm2      1.225 CV     1
 ASSI { 1342}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 74   and name HN  ))
      5.400     3.600     0.600 peak  1342 spectrum    1 weight  0.10000E+01 volume  0.50068E-03 ppm1      7.775 ppm2      8.936 CV     1
 ASSI { 1345}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 72   and name HB2 ))
      2.800     1.000     1.000 peak  1345 spectrum    1 weight  0.10000E+01 volume  0.12531E-01 ppm1      7.779 ppm2      2.969 CV     1
 ASSI { 1346}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 71   and name HB1 ))
      2.900     1.000     1.000 peak  1346 spectrum    1 weight  0.10000E+01 volume  0.77606E-02 ppm1      7.779 ppm2      2.627 CV     1
 ASSI { 1352}
   (( segid "    " and resid 121  and name HN  ))
   (( segid "    " and resid 122  and name HN  ))
      5.800     4.200     0.200 peak  1352 spectrum    1 weight  0.10000E+01 volume  0.44614E-03 ppm1      6.995 ppm2      9.403 CV     1
 ASSI { 1354}
   (( segid "    " and resid 121  and name HN  ))
   (( segid "    " and resid 120  and name HN  ))
      2.600     0.800     0.800 peak  1354 spectrum    1 weight  0.10000E+01 volume  0.17138E-01 ppm1      6.998 ppm2      7.412 CV     1
 ASSI { 1357}
   (( segid "    " and resid 121  and name HN  ))
   (( segid "    " and resid 120  and name HA  ))
      3.200     1.300     1.300 peak  1357 spectrum    1 weight  0.10000E+01 volume  0.65921E-02 ppm1      6.998 ppm2      5.015 CV     1
 ASSI { 1358}
   (( segid "    " and resid 121  and name HN  ))
   (( segid "    " and resid 121  and name HA  ))
      2.700     0.900     0.900 peak  1358 spectrum    1 weight  0.10000E+01 volume  0.14114E-01 ppm1      6.999 ppm2      4.127 CV     1
 ASSI { 1359}
   (( segid "    " and resid 121  and name HN  ))
   (( segid "    " and resid 119  and name HA  ))
      2.900     1.000     1.000 peak  1359 spectrum    1 weight  0.10000E+01 volume  0.12953E-01 ppm1      6.998 ppm2      3.823 CV     1
 ASSI { 1361}
   (( segid "    " and resid 121  and name HN  ))
   (( segid "    " and resid 120  and name HB2 ))
      3.700     1.700     1.700 peak  1361 spectrum    1 weight  0.10000E+01 volume  0.67757E-02 ppm1      7.000 ppm2      2.494 CV     1
 ASSI { 1362}
   (( segid "    " and resid 121  and name HN  ))
   (( segid "    " and resid 121  and name HD2 ))
      4.300     2.300     1.700 peak  1362 spectrum    1 weight  0.10000E+01 volume  0.63774E-02 ppm1      6.997 ppm2      2.338 CV     1
 ASSI { 1366}
   (( segid "    " and resid 121  and name HN  ))
   (  segid "    " and resid 125  and name HD1%)
      3.300     1.400     1.400 peak  1366 spectrum    1 weight  0.10000E+01 volume  0.45715E-02 ppm1      6.999 ppm2      0.458 CV     1
 OR { 1366}
   (( segid "    " and resid 121  and name HN  ))
   (  segid "    " and resid 125  and name HD2%)
 ASSI { 1367}
   (( segid "    " and resid 121  and name HN  ))
   (( segid "    " and resid 125  and name HG  ))
      3.100     1.200     1.200 peak  1367 spectrum    1 weight  0.10000E+01 volume  0.53762E-02 ppm1      6.999 ppm2      0.335 CV     1
 ASSI { 1368}
   (( segid "    " and resid 121  and name HN  ))
   (( segid "    " and resid 121  and name HB1 ))
      3.800     1.800     1.800 peak  1368 spectrum    1 weight  0.10000E+01 volume  0.60476E-02 ppm1      6.999 ppm2     -0.665 CV     1
 ASSI { 1369}
   (( segid "    " and resid 121  and name HN  ))
   (( segid "    " and resid 124  and name HN  ))
      4.900     3.000     1.100 peak  1369 spectrum    1 weight  0.10000E+01 volume  0.10865E-02 ppm1      6.990 ppm2      6.522 CV     1
 ASSI { 1370}
   (( segid "    " and resid 92   and name HN  ))
   (( segid "    " and resid 10   and name HD21))
      5.500     3.700     0.500 peak  1370 spectrum    1 weight  0.10000E+01 volume  0.55541E-03 ppm1      9.327 ppm2      6.479 CV     1
 ASSI { 1372}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 11   and name HA  ))
      2.700     0.900     0.900 peak  1372 spectrum    1 weight  0.10000E+01 volume  0.16188E-01 ppm1      8.153 ppm2      4.493 CV     1
 ASSI { 1373}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 12   and name HA  ))
      2.600     0.900     0.900 peak  1373 spectrum    1 weight  0.10000E+01 volume  0.20527E-01 ppm1      8.152 ppm2      3.875 CV     1
 ASSI { 1375}
   (( segid "    " and resid 12   and name HN  ))
   (  segid "    " and resid 11   and name HD2%)
      3.700     1.700     1.700 peak  1375 spectrum    1 weight  0.10000E+01 volume  0.12270E-01 ppm1      8.152 ppm2      0.769 CV     1
 OR { 1375}
   (( segid "    " and resid 12   and name HN  ))
   (  segid "    " and resid 11   and name HD1%)
 ASSI { 1376}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 11   and name HN  ))
      4.500     2.500     1.500 peak  1376 spectrum    1 weight  0.10000E+01 volume  0.87866E-03 ppm1      8.147 ppm2      6.979 CV     1
 ASSI { 1377}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 14   and name HD1 ))
      4.200     2.200     1.800 peak  1377 spectrum    1 weight  0.10000E+01 volume  0.17677E-02 ppm1      8.148 ppm2      3.704 CV     1
 ASSI { 1378}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 14   and name HD2 ))
      5.600     3.900     0.400 peak  1378 spectrum    1 weight  0.10000E+01 volume  0.18106E-02 ppm1      8.148 ppm2      3.618 CV     1
 ASSI { 1380}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 77   and name HG1 ))
      4.800     2.900     1.200 peak  1380 spectrum    1 weight  0.10000E+01 volume  0.16137E-02 ppm1      7.982 ppm2      2.866 CV     1
 ASSI { 1382}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 74   and name HB1 ))
      2.500     2.500     3.500 peak  1382 spectrum    1 weight  0.10000E+01 volume  0.20976E-01 ppm1      7.986 ppm2      1.937 CV     1
 ASSI { 1387}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 78   and name HG  ))
      2.500     0.800     0.800 peak  1387 spectrum    1 weight  0.10000E+01 volume  0.11756E-01 ppm1      7.983 ppm2      0.976 CV     1
 ASSI { 1388}
   (( segid "    " and resid 78   and name HN  ))
   (  segid "    " and resid 76   and name HG2%)
      3.900     3.900     2.100 peak  1388 spectrum    1 weight  0.10000E+01 volume  0.50322E-02 ppm1      7.983 ppm2      0.812 CV     1
 ASSI { 1391}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 71   and name HD21))
      5.000     3.100     1.000 peak  1391 spectrum    1 weight  0.10000E+01 volume  0.29350E-02 ppm1      7.780 ppm2      7.467 CV     1
 ASSI { 1394}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 69   and name HA  ))
      3.000     1.200     1.200 peak  1394 spectrum    1 weight  0.10000E+01 volume  0.62631E-02 ppm1      7.777 ppm2      4.187 CV     1
 ASSI { 1395}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 73   and name HB  ))
      6.000     5.600     0.000 peak  1395 spectrum    1 weight  0.10000E+01 volume  0.50087E-03 ppm1      7.779 ppm2      3.951 CV     1
 ASSI { 1396}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 72   and name HB1 ))
      3.000     1.100     1.100 peak  1396 spectrum    1 weight  0.10000E+01 volume  0.13210E-01 ppm1      7.777 ppm2      3.453 CV     1
 ASSI { 1398}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 69   and name HB2 ))
      6.000     4.700     0.000 peak  1398 spectrum    1 weight  0.10000E+01 volume  0.43548E-03 ppm1      7.777 ppm2      1.327 CV     1
 ASSI { 1400}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 64   and name HG  ))
      3.200     3.200     2.800 peak  1400 spectrum    1 weight  0.10000E+01 volume  0.19396E-01 ppm1      7.779 ppm2      0.786 CV     1
 ASSI { 1404}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 31   and name HB2 ))
      6.000     6.000     0.000 peak  1404 spectrum    1 weight  0.10000E+01 volume  0.16277E-03 ppm1      7.336 ppm2      3.625 CV     1
 OR { 1404}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 31   and name HB1 ))
 ASSI { 1405}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 25   and name HB2 ))
      5.800     4.200     0.200 peak  1405 spectrum    1 weight  0.10000E+01 volume  0.52562E-03 ppm1      7.335 ppm2      1.211 CV     1
 ASSI { 1427}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 25   and name HN  ))
      4.500     2.500     1.500 peak  1427 spectrum    1 weight  0.10000E+01 volume  0.18812E-02 ppm1      7.336 ppm2      9.357 CV     1
 ASSI { 1428}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 26   and name HN  ))
      2.500     0.800     0.800 peak  1428 spectrum    1 weight  0.10000E+01 volume  0.16901E-01 ppm1      7.334 ppm2      7.500 CV     1
 ASSI { 1430}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 28   and name HN  ))
      2.300     0.600     0.600 peak  1430 spectrum    1 weight  0.10000E+01 volume  0.23808E-01 ppm1      7.334 ppm2      7.157 CV     1
 ASSI { 1431}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 27   and name HA  ))
      2.800     1.000     1.000 peak  1431 spectrum    1 weight  0.10000E+01 volume  0.17046E-01 ppm1      7.334 ppm2      4.946 CV     1
 ASSI { 1432}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 24   and name HA  ))
      3.100     1.200     1.200 peak  1432 spectrum    1 weight  0.10000E+01 volume  0.73617E-02 ppm1      7.335 ppm2      4.201 CV     1
 ASSI { 1433}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 26   and name HA1 ))
      2.700     0.900     0.900 peak  1433 spectrum    1 weight  0.10000E+01 volume  0.18507E-01 ppm1      7.335 ppm2      3.879 CV     1
 ASSI { 1434}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 27   and name HB1 ))
      2.800     1.000     1.000 peak  1434 spectrum    1 weight  0.10000E+01 volume  0.17732E-01 ppm1      7.335 ppm2      2.930 CV     1
 ASSI { 1435}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 27   and name HB2 ))
      2.500     0.800     0.800 peak  1435 spectrum    1 weight  0.10000E+01 volume  0.25244E-01 ppm1      7.335 ppm2      2.589 CV     1
 ASSI { 1436}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 28   and name HG12))
      3.800     1.800     1.800 peak  1436 spectrum    1 weight  0.10000E+01 volume  0.77775E-02 ppm1      7.334 ppm2      2.097 CV     1
 OR { 1436}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 28   and name HG11))
 ASSI { 1440}
   (( segid "    " and resid 27   and name HN  ))
   (  segid "    " and resid 28   and name HD1%)
      3.700     3.700     2.300 peak  1440 spectrum    1 weight  0.10000E+01 volume  0.16736E-01 ppm1      7.334 ppm2      0.792 CV     1
 ASSI { 1447}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 11   and name HA  ))
      3.100     1.200     1.200 peak  1447 spectrum    1 weight  0.10000E+01 volume  0.60088E-02 ppm1      6.983 ppm2      4.484 CV     1
 ASSI { 1448}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 14   and name HA  ))
      5.300     3.400     0.700 peak  1448 spectrum    1 weight  0.10000E+01 volume  0.11027E-02 ppm1      6.981 ppm2      4.320 CV     1
 ASSI { 1449}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 93   and name HA  ))
      2.800     1.000     1.000 peak  1449 spectrum    1 weight  0.10000E+01 volume  0.73765E-02 ppm1      6.981 ppm2      4.011 CV     1
 ASSI { 1451}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 11   and name HB2 ))
      2.800     1.000     1.000 peak  1451 spectrum    1 weight  0.10000E+01 volume  0.63473E-02 ppm1      6.979 ppm2      0.950 CV     1
 ASSI { 1452}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 13   and name HN  ))
      6.000     4.900     0.000 peak  1452 spectrum    1 weight  0.10000E+01 volume  0.30228E-03 ppm1      6.978 ppm2      8.729 CV     1
 ASSI { 1453}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 17   and name HG1 ))
      5.800     4.200     0.200 peak  1453 spectrum    1 weight  0.10000E+01 volume  0.44904E-03 ppm1      6.977 ppm2      2.642 CV     1
 OR { 1453}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 17   and name HG2 ))
 ASSI { 1456}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 66   and name HA  ))
      4.000     2.000     2.000 peak  1456 spectrum    1 weight  0.10000E+01 volume  0.29854E-02 ppm1      6.880 ppm2      3.359 CV     1
 ASSI { 1467}
   (( segid "    " and resid 89   and name HN  ))
   (( segid "    " and resid 89   and name HA  ))
      5.000     3.100     1.000 peak  1467 spectrum    1 weight  0.10000E+01 volume  0.50842E-03 ppm1      9.362 ppm2      4.449 CV     1
 ASSI { 1470}
   (( segid "    " and resid 89   and name HN  ))
   (( segid "    " and resid 88   and name HA  ))
      3.500     1.500     1.500 peak  1470 spectrum    1 weight  0.10000E+01 volume  0.59901E-02 ppm1      9.354 ppm2      4.073 CV     1
 ASSI { 1471}
   (( segid "    " and resid 89   and name HN  ))
   (( segid "    " and resid 89   and name HB2 ))
      4.500     2.500     1.500 peak  1471 spectrum    1 weight  0.10000E+01 volume  0.82040E-03 ppm1      9.353 ppm2      3.564 CV     1
 OR { 1471}
   (( segid "    " and resid 89   and name HN  ))
   (( segid "    " and resid 89   and name HB1 ))
 ASSI { 1474}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 42   and name HN  ))
      5.100     3.200     0.900 peak  1474 spectrum    1 weight  0.10000E+01 volume  0.38763E-03 ppm1      8.829 ppm2     10.281 CV     1
 ASSI { 1476}
   (( segid "    " and resid 53   and name HN  ))
   (  segid "    " and resid 53   and name HD% )
      3.200     1.300     1.300 peak  1476 spectrum    1 weight  0.10000E+01 volume  0.65737E-02 ppm1      8.834 ppm2      6.527 CV     1
 ASSI { 1479}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 44   and name HD2 ))
      4.400     2.500     1.600 peak  1479 spectrum    1 weight  0.10000E+01 volume  0.39945E-02 ppm1      8.839 ppm2      4.106 CV     1
 ASSI { 1480}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 44   and name HD1 ))
      3.800     1.800     1.800 peak  1480 spectrum    1 weight  0.10000E+01 volume  0.14801E-02 ppm1      8.835 ppm2      3.826 CV     1
 ASSI { 1481}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 53   and name HB1 ))
      3.100     1.200     1.200 peak  1481 spectrum    1 weight  0.10000E+01 volume  0.60491E-02 ppm1      8.836 ppm2      2.892 CV     1
 ASSI { 1482}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 52   and name HB2 ))
      4.200     2.200     1.800 peak  1482 spectrum    1 weight  0.10000E+01 volume  0.39408E-02 ppm1      8.837 ppm2      2.631 CV     1
 ASSI { 1483}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 44   and name HG1 ))
      2.900     1.100     1.100 peak  1483 spectrum    1 weight  0.10000E+01 volume  0.85400E-02 ppm1      8.835 ppm2      2.206 CV     1
 OR { 1483}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 44   and name HG2 ))
 ASSI { 1515}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 72   and name HD2 ))
      6.000     4.700     0.000 peak  1515 spectrum    1 weight  0.10000E+01 volume  0.77136E-03 ppm1      6.880 ppm2      7.241 CV     1
 ASSI { 1518}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 68   and name HA  ))
      2.700     0.900     0.900 peak  1518 spectrum    1 weight  0.10000E+01 volume  0.10475E-01 ppm1      6.879 ppm2      4.345 CV     1
 ASSI { 1519}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 69   and name HA  ))
      4.700     2.700     1.300 peak  1519 spectrum    1 weight  0.10000E+01 volume  0.29126E-02 ppm1      6.879 ppm2      4.211 CV     1
 ASSI { 1521}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 68   and name HG2 ))
      3.900     1.900     1.900 peak  1521 spectrum    1 weight  0.10000E+01 volume  0.95822E-02 ppm1      6.877 ppm2      2.409 CV     1
 OR { 1521}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 68   and name HG1 ))
 ASSI { 1522}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 69   and name HB1 ))
      3.000     3.000     3.000 peak  1522 spectrum    1 weight  0.10000E+01 volume  0.35638E-01 ppm1      6.878 ppm2      2.221 CV     1
 ASSI { 1523}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 67   and name HB2 ))
      3.400     1.400     1.400 peak  1523 spectrum    1 weight  0.10000E+01 volume  0.13758E-01 ppm1      6.878 ppm2      1.852 CV     1
 OR { 1523}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 67   and name HB1 ))
 ASSI { 1525}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 66   and name HB2 ))
      3.700     3.700     2.300 peak  1525 spectrum    1 weight  0.10000E+01 volume  0.90033E-02 ppm1      6.879 ppm2      1.300 CV     1
 ASSI { 1527}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 64   and name HG  ))
      4.600     2.700     1.400 peak  1527 spectrum    1 weight  0.10000E+01 volume  0.43201E-02 ppm1      6.877 ppm2      0.760 CV     1
 ASSI { 1528}
   (( segid "    " and resid 68   and name HN  ))
   (  segid "    " and resid 64   and name HD1%)
      3.900     1.900     1.900 peak  1528 spectrum    1 weight  0.10000E+01 volume  0.48890E-02 ppm1      6.879 ppm2      0.720 CV     1
 OR { 1528}
   (( segid "    " and resid 68   and name HN  ))
   (  segid "    " and resid 64   and name HD2%)
 ASSI { 1531}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 65   and name HA  ))
      5.400     3.700     0.600 peak  1531 spectrum    1 weight  0.10000E+01 volume  0.87855E-03 ppm1      6.873 ppm2      4.604 CV     1
 ASSI { 1533}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 52   and name HN  ))
      4.900     2.900     1.100 peak  1533 spectrum    1 weight  0.10000E+01 volume  0.92799E-03 ppm1      8.830 ppm2      8.041 CV     1
 ASSI { 1534}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 43   and name HA  ))
      5.700     4.000     0.300 peak  1534 spectrum    1 weight  0.10000E+01 volume  0.77938E-03 ppm1      8.832 ppm2      5.109 CV     1
 ASSI { 1535}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 53   and name HA  ))
      3.400     1.500     1.500 peak  1535 spectrum    1 weight  0.10000E+01 volume  0.34540E-02 ppm1      8.835 ppm2      4.364 CV     1
 ASSI { 1536}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 52   and name HB1 ))
      3.900     1.900     1.900 peak  1536 spectrum    1 weight  0.10000E+01 volume  0.58553E-02 ppm1      8.834 ppm2      2.417 CV     1
 ASSI { 1539}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 24   and name HN  ))
      3.900     1.900     1.900 peak  1539 spectrum    1 weight  0.10000E+01 volume  0.43727E-02 ppm1      8.513 ppm2      7.914 CV     1
 ASSI { 1542}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 19   and name HA  ))
      3.800     1.800     1.800 peak  1542 spectrum    1 weight  0.10000E+01 volume  0.49909E-02 ppm1      8.513 ppm2      4.582 CV     1
 ASSI { 1543}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 21   and name HA  ))
      3.300     1.300     1.300 peak  1543 spectrum    1 weight  0.10000E+01 volume  0.54026E-02 ppm1      8.513 ppm2      4.137 CV     1
 ASSI { 1544}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 22   and name HA  ))
      2.500     0.800     0.800 peak  1544 spectrum    1 weight  0.10000E+01 volume  0.13944E-01 ppm1      8.512 ppm2      3.966 CV     1
 ASSI { 1545}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 18   and name HA  ))
      4.000     2.000     2.000 peak  1545 spectrum    1 weight  0.10000E+01 volume  0.25701E-02 ppm1      8.512 ppm2      3.424 CV     1
 ASSI { 1546}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 19   and name HB1 ))
      6.000     5.100     0.000 peak  1546 spectrum    1 weight  0.10000E+01 volume  0.38904E-03 ppm1      8.507 ppm2      2.697 CV     1
 ASSI { 1547}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 22   and name HB2 ))
      3.000     1.200     1.200 peak  1547 spectrum    1 weight  0.10000E+01 volume  0.23123E-01 ppm1      8.511 ppm2      2.051 CV     1
 ASSI { 1548}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 22   and name HG  ))
      1.800     0.400     0.400 peak  1548 spectrum    1 weight  0.10000E+01 volume  0.29715E-01 ppm1      8.512 ppm2      1.913 CV     1
 ASSI { 1551}
   (( segid "    " and resid 22   and name HN  ))
   (  segid "    " and resid 22   and name HD1%)
      3.500     1.500     1.500 peak  1551 spectrum    1 weight  0.10000E+01 volume  0.14863E-01 ppm1      8.511 ppm2      1.129 CV     1
 ASSI { 1553}
   (( segid "    " and resid 22   and name HN  ))
   (  segid "    " and resid 7    and name HD1%)
      3.700     1.700     1.700 peak  1553 spectrum    1 weight  0.10000E+01 volume  0.37356E-02 ppm1      8.511 ppm2      0.694 CV     1
 ASSI { 1554}
   (( segid "    " and resid 22   and name HN  ))
   (  segid "    " and resid 18   and name HG1%)
      3.800     1.800     1.800 peak  1554 spectrum    1 weight  0.10000E+01 volume  0.37022E-02 ppm1      8.513 ppm2      0.224 CV     1
 ASSI { 1555}
   (( segid "    " and resid 104  and name HN  ))
   (( segid "    " and resid 103  and name HN  ))
      2.400     0.700     0.700 peak  1555 spectrum    1 weight  0.10000E+01 volume  0.16166E-01 ppm1      8.326 ppm2      9.231 CV     1
 ASSI { 1556}
   (( segid "    " and resid 104  and name HN  ))
   (  segid "    " and resid 101  and name HD% )
      4.700     2.800     1.300 peak  1556 spectrum    1 weight  0.10000E+01 volume  0.35933E-02 ppm1      8.327 ppm2      7.022 CV     1
 ASSI { 1557}
   (( segid "    " and resid 104  and name HN  ))
   (( segid "    " and resid 103  and name HA  ))
      2.900     1.100     1.100 peak  1557 spectrum    1 weight  0.10000E+01 volume  0.91380E-02 ppm1      8.325 ppm2      5.173 CV     1
 ASSI { 1560}
   (( segid "    " and resid 104  and name HN  ))
   (( segid "    " and resid 104  and name HA  ))
      2.700     0.900     0.900 peak  1560 spectrum    1 weight  0.10000E+01 volume  0.12911E-01 ppm1      8.327 ppm2      4.261 CV     1
 ASSI { 1561}
   (( segid "    " and resid 104  and name HN  ))
   (( segid "    " and resid 102  and name HA1 ))
      3.600     1.600     1.600 peak  1561 spectrum    1 weight  0.10000E+01 volume  0.11553E-01 ppm1      8.325 ppm2      3.879 CV     1
 OR { 1561}
   (( segid "    " and resid 104  and name HN  ))
   (( segid "    " and resid 102  and name HA2 ))
 ASSI { 1563}
   (( segid "    " and resid 104  and name HN  ))
   (( segid "    " and resid 103  and name HB1 ))
      4.200     2.200     1.800 peak  1563 spectrum    1 weight  0.10000E+01 volume  0.32444E-02 ppm1      8.325 ppm2      2.997 CV     1
 ASSI { 1565}
   (( segid "    " and resid 104  and name HN  ))
   (( segid "    " and resid 104  and name HB2 ))
      2.800     1.000     1.000 peak  1565 spectrum    1 weight  0.10000E+01 volume  0.21845E-01 ppm1      8.326 ppm2      2.393 CV     1
 ASSI { 1566}
   (( segid "    " and resid 104  and name HN  ))
   (( segid "    " and resid 104  and name HB1 ))
      3.100     1.200     1.200 peak  1566 spectrum    1 weight  0.10000E+01 volume  0.14684E-01 ppm1      8.326 ppm2      2.178 CV     1
 ASSI { 1568}
   (( segid "    " and resid 104  and name HN  ))
   (  segid "    " and resid 113  and name HG1%)
      4.300     2.300     1.700 peak  1568 spectrum    1 weight  0.10000E+01 volume  0.24602E-02 ppm1      8.326 ppm2      1.155 CV     1
 ASSI { 1569}
   (( segid "    " and resid 104  and name HN  ))
   (  segid "    " and resid 105  and name HG2%)
      3.600     1.600     1.600 peak  1569 spectrum    1 weight  0.10000E+01 volume  0.58838E-02 ppm1      8.324 ppm2      1.042 CV     1
 OR { 1569}
   (( segid "    " and resid 104  and name HN  ))
   (  segid "    " and resid 105  and name HG1%)
 ASSI { 1570}
   (( segid "    " and resid 104  and name HN  ))
   (  segid "    " and resid 113  and name HG2%)
      5.800     4.300     0.200 peak  1570 spectrum    1 weight  0.10000E+01 volume  0.16848E-03 ppm1      8.324 ppm2      0.874 CV     1
 ASSI { 1572}
   (( segid "    " and resid 104  and name HN  ))
   (( segid "    " and resid 66   and name HB1 ))
      4.300     2.400     1.700 peak  1572 spectrum    1 weight  0.10000E+01 volume  0.71583E-02 ppm1      8.328 ppm2      0.581 CV     1
 ASSI { 1582}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 41   and name HG1 ))
      6.000     5.300     0.000 peak  1582 spectrum    1 weight  0.10000E+01 volume  0.43804E-03 ppm1      8.043 ppm2      1.291 CV     1
 ASSI { 1584}
   (( segid "    " and resid 124  and name HN  ))
   (( segid "    " and resid 125  and name HN  ))
      2.300     0.700     0.700 peak  1584 spectrum    1 weight  0.10000E+01 volume  0.12109E-01 ppm1      6.514 ppm2      7.611 CV     1
 ASSI { 1585}
   (( segid "    " and resid 124  and name HN  ))
   (( segid "    " and resid 123  and name HN  ))
      2.200     0.600     0.600 peak  1585 spectrum    1 weight  0.10000E+01 volume  0.86294E-02 ppm1      6.515 ppm2      6.944 CV     1
 ASSI { 1592}
   (( segid "    " and resid 124  and name HN  ))
   (( segid "    " and resid 124  and name HB2 ))
      2.500     0.800     0.800 peak  1592 spectrum    1 weight  0.10000E+01 volume  0.10499E-01 ppm1      6.514 ppm2      2.167 CV     1
 OR { 1592}
   (( segid "    " and resid 124  and name HN  ))
   (( segid "    " and resid 124  and name HB1 ))
 ASSI { 1595}
   (( segid "    " and resid 124  and name HN  ))
   (( segid "    " and resid 121  and name HG1 ))
      3.900     1.900     1.900 peak  1595 spectrum    1 weight  0.10000E+01 volume  0.41067E-02 ppm1      6.514 ppm2      1.338 CV     1
 ASSI { 1596}
   (( segid "    " and resid 124  and name HN  ))
   (( segid "    " and resid 125  and name HB2 ))
      4.600     2.600     1.400 peak  1596 spectrum    1 weight  0.10000E+01 volume  0.23996E-02 ppm1      6.515 ppm2      1.027 CV     1
 ASSI { 1597}
   (( segid "    " and resid 124  and name HN  ))
   (( segid "    " and resid 125  and name HB1 ))
      5.500     3.700     0.500 peak  1597 spectrum    1 weight  0.10000E+01 volume  0.24662E-02 ppm1      6.515 ppm2      0.970 CV     1
 ASSI { 1599}
   (( segid "    " and resid 124  and name HN  ))
   (( segid "    " and resid 121  and name HB2 ))
      3.300     1.400     1.400 peak  1599 spectrum    1 weight  0.10000E+01 volume  0.36088E-02 ppm1      6.514 ppm2      0.863 CV     1
 ASSI { 1600}
   (( segid "    " and resid 124  and name HN  ))
   (( segid "    " and resid 155  and name HG  ))
      4.700     2.700     1.300 peak  1600 spectrum    1 weight  0.10000E+01 volume  0.28663E-02 ppm1      6.518 ppm2      0.803 CV     1
 ASSI { 1601}
   (( segid "    " and resid 124  and name HN  ))
   (  segid "    " and resid 125  and name HD2%)
      4.500     2.500     1.500 peak  1601 spectrum    1 weight  0.10000E+01 volume  0.52492E-02 ppm1      6.515 ppm2      0.470 CV     1
 OR { 1601}
   (( segid "    " and resid 124  and name HN  ))
   (  segid "    " and resid 125  and name HD1%)
 ASSI { 1602}
   (( segid "    " and resid 124  and name HN  ))
   (( segid "    " and resid 121  and name HB1 ))
      4.000     2.000     2.000 peak  1602 spectrum    1 weight  0.10000E+01 volume  0.30805E-02 ppm1      6.513 ppm2     -0.664 CV     1
 ASSI { 1607}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 44   and name HD2 ))
      4.300     2.400     1.700 peak  1607 spectrum    1 weight  0.10000E+01 volume  0.18037E-02 ppm1      8.041 ppm2      4.109 CV     1
 ASSI { 1609}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 52   and name HB2 ))
      3.800     1.800     1.800 peak  1609 spectrum    1 weight  0.10000E+01 volume  0.47405E-02 ppm1      8.042 ppm2      2.668 CV     1
 ASSI { 1610}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 52   and name HB1 ))
      3.100     1.200     1.200 peak  1610 spectrum    1 weight  0.10000E+01 volume  0.21206E-01 ppm1      8.040 ppm2      2.430 CV     1
 ASSI { 1611}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 51   and name HB2 ))
      3.100     1.200     1.200 peak  1611 spectrum    1 weight  0.10000E+01 volume  0.13035E-01 ppm1      8.040 ppm2      2.151 CV     1
 OR { 1611}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 51   and name HG1 ))
 ASSI { 1612}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 51   and name HG2 ))
      3.500     1.500     1.500 peak  1612 spectrum    1 weight  0.10000E+01 volume  0.58432E-02 ppm1      8.040 ppm2      1.864 CV     1
 ASSI { 1613}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 41   and name HG2 ))
      5.900     4.300     0.100 peak  1613 spectrum    1 weight  0.10000E+01 volume  0.72034E-03 ppm1      8.040 ppm2      1.627 CV     1
 ASSI { 1619}
   (( segid "    " and resid 152  and name HN  ))
   (( segid "    " and resid 126  and name HA  ))
      3.200     3.200     2.800 peak  1619 spectrum    1 weight  0.10000E+01 volume  0.10312E-02 ppm1      7.228 ppm2      4.803 CV     1
 ASSI { 1625}
   (( segid "    " and resid 152  and name HN  ))
   (( segid "    " and resid 126  and name HE3 ))
      4.200     2.200     1.800 peak  1625 spectrum    1 weight  0.10000E+01 volume  0.89486E-03 ppm1      7.207 ppm2      7.845 CV     1
 ASSI { 1628}
   (( segid "    " and resid 152  and name HN  ))
   (  segid "    " and resid 152  and name HD% )
      2.600     0.900     0.900 peak  1628 spectrum    1 weight  0.10000E+01 volume  0.14083E-01 ppm1      7.209 ppm2      7.045 CV     1
 ASSI { 1631}
   (( segid "    " and resid 152  and name HN  ))
   (( segid "    " and resid 152  and name HA  ))
      2.700     0.900     0.900 peak  1631 spectrum    1 weight  0.10000E+01 volume  0.16454E-01 ppm1      7.208 ppm2      4.630 CV     1
 ASSI { 1632}
   (( segid "    " and resid 152  and name HN  ))
   (( segid "    " and resid 151  and name HA  ))
      2.200     0.600     0.600 peak  1632 spectrum    1 weight  0.10000E+01 volume  0.34077E-01 ppm1      7.208 ppm2      4.078 CV     1
 ASSI { 1633}
   (( segid "    " and resid 152  and name HN  ))
   (( segid "    " and resid 147  and name HA  ))
      4.200     2.200     1.800 peak  1633 spectrum    1 weight  0.10000E+01 volume  0.24477E-02 ppm1      7.209 ppm2      3.684 CV     1
 ASSI { 1634}
   (( segid "    " and resid 152  and name HN  ))
   (( segid "    " and resid 152  and name HB2 ))
      2.600     0.800     0.800 peak  1634 spectrum    1 weight  0.10000E+01 volume  0.15872E-01 ppm1      7.208 ppm2      3.379 CV     1
 ASSI { 1635}
   (( segid "    " and resid 152  and name HN  ))
   (( segid "    " and resid 152  and name HB1 ))
      2.900     1.100     1.100 peak  1635 spectrum    1 weight  0.10000E+01 volume  0.21634E-01 ppm1      7.208 ppm2      2.672 CV     1
 ASSI { 1636}
   (( segid "    " and resid 152  and name HN  ))
   (  segid "    " and resid 151  and name HB% )
      3.500     1.500     1.500 peak  1636 spectrum    1 weight  0.10000E+01 volume  0.15689E-01 ppm1      7.208 ppm2      1.203 CV     1
 ASSI { 1637}
   (( segid "    " and resid 152  and name HN  ))
   (( segid "    " and resid 147  and name HG  ))
      4.000     2.000     2.000 peak  1637 spectrum    1 weight  0.10000E+01 volume  0.66320E-02 ppm1      7.212 ppm2      0.900 CV     1
 ASSI { 1639}
   (( segid "    " and resid 152  and name HN  ))
   (  segid "    " and resid 147  and name HD2%)
      3.100     1.200     1.200 peak  1639 spectrum    1 weight  0.10000E+01 volume  0.34257E-02 ppm1      7.210 ppm2     -0.546 CV     1
 ASSI { 1664}
   (( segid "    " and resid 126  and name HN  ))
   (( segid "    " and resid 126  and name HE3 ))
      5.100     3.300     0.900 peak  1664 spectrum    1 weight  0.10000E+01 volume  0.23160E-02 ppm1      8.705 ppm2      7.801 CV     1
 ASSI { 1665}
   (( segid "    " and resid 126  and name HN  ))
   (( segid "    " and resid 125  and name HN  ))
      2.800     1.000     1.000 peak  1665 spectrum    1 weight  0.10000E+01 volume  0.64051E-02 ppm1      8.704 ppm2      7.626 CV     1
 ASSI { 1667}
   (( segid "    " and resid 126  and name HN  ))
   (( segid "    " and resid 126  and name HD1 ))
      4.200     2.200     1.800 peak  1667 spectrum    1 weight  0.10000E+01 volume  0.52171E-02 ppm1      8.706 ppm2      6.713 CV     1
 ASSI { 1668}
   (( segid "    " and resid 126  and name HN  ))
   (( segid "    " and resid 124  and name HN  ))
      3.800     1.800     1.800 peak  1668 spectrum    1 weight  0.10000E+01 volume  0.57537E-02 ppm1      8.705 ppm2      6.532 CV     1
 ASSI { 1669}
   (( segid "    " and resid 126  and name HN  ))
   (( segid "    " and resid 126  and name HA  ))
      2.600     0.800     0.800 peak  1669 spectrum    1 weight  0.10000E+01 volume  0.11126E-01 ppm1      8.707 ppm2      4.787 CV     1
 ASSI { 1670}
   (( segid "    " and resid 126  and name HN  ))
   (( segid "    " and resid 123  and name HA  ))
      4.100     2.100     1.900 peak  1670 spectrum    1 weight  0.10000E+01 volume  0.22867E-02 ppm1      8.706 ppm2      4.354 CV     1
 ASSI { 1672}
   (( segid "    " and resid 126  and name HN  ))
   (( segid "    " and resid 125  and name HA  ))
      3.600     1.700     1.700 peak  1672 spectrum    1 weight  0.10000E+01 volume  0.37384E-02 ppm1      8.706 ppm2      3.811 CV     1
 ASSI { 1673}
   (( segid "    " and resid 126  and name HN  ))
   (( segid "    " and resid 127  and name HD1 ))
      2.700     0.900     0.900 peak  1673 spectrum    1 weight  0.10000E+01 volume  0.10944E-01 ppm1      8.704 ppm2      3.393 CV     1
 ASSI { 1674}
   (( segid "    " and resid 126  and name HN  ))
   (( segid "    " and resid 126  and name HB1 ))
      2.100     0.600     0.600 peak  1674 spectrum    1 weight  0.10000E+01 volume  0.35689E-01 ppm1      8.704 ppm2      3.148 CV     1
 ASSI { 1675}
   (( segid "    " and resid 126  and name HN  ))
   (( segid "    " and resid 126  and name HB2 ))
      2.300     0.700     0.700 peak  1675 spectrum    1 weight  0.10000E+01 volume  0.20629E-01 ppm1      8.706 ppm2      2.953 CV     1
 ASSI { 1676}
   (( segid "    " and resid 126  and name HN  ))
   (( segid "    " and resid 127  and name HG2 ))
      4.700     2.700     1.300 peak  1676 spectrum    1 weight  0.10000E+01 volume  0.34565E-02 ppm1      8.706 ppm2      2.067 CV     1
 ASSI { 1677}
   (( segid "    " and resid 126  and name HN  ))
   (( segid "    " and resid 128  and name HB2 ))
      4.100     2.100     1.900 peak  1677 spectrum    1 weight  0.10000E+01 volume  0.37313E-02 ppm1      8.707 ppm2      2.025 CV     1
 ASSI { 1680}
   (( segid "    " and resid 126  and name HN  ))
   (( segid "    " and resid 154  and name HB2 ))
      3.800     3.800     2.200 peak  1680 spectrum    1 weight  0.10000E+01 volume  0.82381E-02 ppm1      8.707 ppm2      1.407 CV     1
 OR { 1680}
   (( segid "    " and resid 126  and name HN  ))
   (( segid "    " and resid 154  and name HB1 ))
 ASSI { 1681}
   (( segid "    " and resid 126  and name HN  ))
   (( segid "    " and resid 125  and name HB1 ))
      2.900     1.100     1.100 peak  1681 spectrum    1 weight  0.10000E+01 volume  0.14737E-01 ppm1      8.704 ppm2      0.958 CV     1
 ASSI { 1682}
   (( segid "    " and resid 126  and name HN  ))
   (( segid "    " and resid 155  and name HG  ))
      3.900     1.900     1.900 peak  1682 spectrum    1 weight  0.10000E+01 volume  0.59775E-02 ppm1      8.702 ppm2      0.790 CV     1
 ASSI { 1684}
   (( segid "    " and resid 126  and name HN  ))
   (( segid "    " and resid 125  and name HG  ))
      4.100     2.100     1.900 peak  1684 spectrum    1 weight  0.10000E+01 volume  0.50224E-02 ppm1      8.709 ppm2      0.334 CV     1
 ASSI { 1686}
   (( segid "    " and resid 126  and name HN  ))
   (  segid "    " and resid 147  and name HD2%)
      3.900     1.900     1.900 peak  1686 spectrum    1 weight  0.10000E+01 volume  0.32630E-02 ppm1      8.703 ppm2     -0.553 CV     1
 ASSI { 1688}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 50   and name HA  ))
      2.600     0.800     0.800 peak  1688 spectrum    1 weight  0.10000E+01 volume  0.71008E-02 ppm1      7.823 ppm2      4.878 CV     1
 ASSI { 1689}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 49   and name HA  ))
      2.800     1.000     1.000 peak  1689 spectrum    1 weight  0.10000E+01 volume  0.25866E-01 ppm1      7.822 ppm2      4.670 CV     1
 ASSI { 1691}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 44   and name HD1 ))
      4.900     3.000     1.100 peak  1691 spectrum    1 weight  0.10000E+01 volume  0.50046E-02 ppm1      7.821 ppm2      3.840 CV     1
 ASSI { 1692}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 51   and name HD2 ))
      4.200     2.200     1.800 peak  1692 spectrum    1 weight  0.10000E+01 volume  0.28637E-02 ppm1      7.817 ppm2      3.421 CV     1
 ASSI { 1693}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 49   and name HB2 ))
      3.200     1.300     1.300 peak  1693 spectrum    1 weight  0.10000E+01 volume  0.16584E-01 ppm1      7.817 ppm2      2.670 CV     1
 ASSI { 1694}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 50   and name HG2 ))
      3.000     1.100     1.100 peak  1694 spectrum    1 weight  0.10000E+01 volume  0.12943E-01 ppm1      7.819 ppm2      2.358 CV     1
 OR { 1694}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 50   and name HG1 ))
 ASSI { 1695}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 50   and name HB2 ))
      2.600     0.900     0.900 peak  1695 spectrum    1 weight  0.10000E+01 volume  0.35675E-01 ppm1      7.821 ppm2      2.024 CV     1
 OR { 1695}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 50   and name HB1 ))
 ASSI { 1696}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 69   and name HN  ))
      5.400     3.600     0.600 peak  1696 spectrum    1 weight  0.10000E+01 volume  0.33236E-03 ppm1      7.799 ppm2      8.232 CV     1
 ASSI { 1698}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 73   and name HN  ))
      5.300     3.500     0.700 peak  1698 spectrum    1 weight  0.10000E+01 volume  0.65219E-03 ppm1      7.792 ppm2      9.338 CV     1
 ASSI { 1699}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 71   and name HD21))
      4.200     2.200     1.800 peak  1699 spectrum    1 weight  0.10000E+01 volume  0.57648E-02 ppm1      7.793 ppm2      7.457 CV     1
 ASSI { 1702}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 67   and name HA  ))
      3.700     1.700     1.700 peak  1702 spectrum    1 weight  0.10000E+01 volume  0.30998E-02 ppm1      7.796 ppm2      3.656 CV     1
 ASSI { 1703}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 71   and name HB2 ))
      2.500     0.800     0.800 peak  1703 spectrum    1 weight  0.10000E+01 volume  0.14291E-01 ppm1      7.795 ppm2      3.090 CV     1
 ASSI { 1705}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 70   and name HB1 ))
      2.600     0.800     0.800 peak  1705 spectrum    1 weight  0.10000E+01 volume  0.84276E-02 ppm1      7.791 ppm2      1.025 CV     1
 ASSI { 1707}
   (( segid "    " and resid 71   and name HN  ))
   (  segid "    " and resid 70   and name HD1%)
      3.900     1.900     1.900 peak  1707 spectrum    1 weight  0.10000E+01 volume  0.64590E-02 ppm1      7.794 ppm2      0.489 CV     1
 ASSI { 1711}
   (( segid "    " and resid 130  and name HN  ))
   (( segid "    " and resid 132  and name HN  ))
      3.800     1.800     1.800 peak  1711 spectrum    1 weight  0.10000E+01 volume  0.44309E-02 ppm1      7.744 ppm2      8.302 CV     1
 ASSI { 1713}
   (( segid "    " and resid 130  and name HN  ))
   (  segid "    " and resid 129  and name HD% )
      3.800     1.800     1.800 peak  1713 spectrum    1 weight  0.10000E+01 volume  0.67679E-02 ppm1      7.744 ppm2      7.187 CV     1
 ASSI { 1714}
   (( segid "    " and resid 130  and name HN  ))
   (( segid "    " and resid 131  and name HN  ))
      2.500     0.800     0.800 peak  1714 spectrum    1 weight  0.10000E+01 volume  0.10493E-01 ppm1      7.745 ppm2      6.931 CV     1
 ASSI { 1715}
   (( segid "    " and resid 130  and name HN  ))
   (( segid "    " and resid 128  and name HN  ))
      3.700     1.700     1.700 peak  1715 spectrum    1 weight  0.10000E+01 volume  0.41741E-02 ppm1      7.743 ppm2      6.566 CV     1
 ASSI { 1718}
   (( segid "    " and resid 130  and name HN  ))
   (( segid "    " and resid 37   and name HB2 ))
      5.400     3.700     0.600 peak  1718 spectrum    1 weight  0.10000E+01 volume  0.60750E-03 ppm1      7.746 ppm2      4.077 CV     1
 ASSI { 1720}
   (( segid "    " and resid 130  and name HN  ))
   (( segid "    " and resid 129  and name HB2 ))
      3.800     1.800     1.800 peak  1720 spectrum    1 weight  0.10000E+01 volume  0.60687E-02 ppm1      7.744 ppm2      3.168 CV     1
 ASSI { 1721}
   (( segid "    " and resid 130  and name HN  ))
   (( segid "    " and resid 129  and name HB1 ))
      2.900     1.100     1.100 peak  1721 spectrum    1 weight  0.10000E+01 volume  0.73115E-02 ppm1      7.745 ppm2      2.883 CV     1
 ASSI { 1722}
   (( segid "    " and resid 130  and name HN  ))
   (( segid "    " and resid 130  and name HB1 ))
      2.500     0.800     0.800 peak  1722 spectrum    1 weight  0.10000E+01 volume  0.22695E-01 ppm1      7.745 ppm2      2.630 CV     1
 ASSI { 1726}
   (( segid "    " and resid 130  and name HN  ))
   (( segid "    " and resid 131  and name HG12))
      4.500     2.500     1.500 peak  1726 spectrum    1 weight  0.10000E+01 volume  0.29175E-02 ppm1      7.743 ppm2      1.649 CV     1
 OR { 1726}
   (( segid "    " and resid 130  and name HN  ))
   (( segid "    " and resid 131  and name HG11))
 ASSI { 1727}
   (( segid "    " and resid 130  and name HN  ))
   (( segid "    " and resid 133  and name HB1 ))
      4.300     2.300     1.700 peak  1727 spectrum    1 weight  0.10000E+01 volume  0.29565E-02 ppm1      7.744 ppm2      1.517 CV     1
 ASSI { 1729}
   (( segid "    " and resid 130  and name HN  ))
   (  segid "    " and resid 57   and name HB% )
      4.600     2.600     1.400 peak  1729 spectrum    1 weight  0.10000E+01 volume  0.24673E-02 ppm1      7.743 ppm2      1.364 CV     1
 ASSI { 1732}
   (( segid "    " and resid 130  and name HN  ))
   (  segid "    " and resid 131  and name HG2%)
      3.900     1.900     1.900 peak  1732 spectrum    1 weight  0.10000E+01 volume  0.95720E-02 ppm1      7.746 ppm2      0.852 CV     1
 ASSI { 1734}
   (( segid "    " and resid 130  and name HN  ))
   (( segid "    " and resid 128  and name HG  ))
      6.000     5.100     0.000 peak  1734 spectrum    1 weight  0.10000E+01 volume  0.39537E-03 ppm1      7.743 ppm2      0.308 CV     1
 ASSI { 1740}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 13   and name HB2 ))
      3.300     1.400     1.400 peak  1740 spectrum    1 weight  0.10000E+01 volume  0.73384E-02 ppm1      7.267 ppm2      4.401 CV     1
 ASSI { 1741}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 15   and name HA  ))
      3.800     1.800     1.800 peak  1741 spectrum    1 weight  0.10000E+01 volume  0.35796E-02 ppm1      7.268 ppm2      3.420 CV     1
 ASSI { 1743}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 17   and name HG2 ))
      4.100     2.100     1.900 peak  1743 spectrum    1 weight  0.10000E+01 volume  0.45447E-02 ppm1      7.266 ppm2      2.645 CV     1
 OR { 1743}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 17   and name HG1 ))
 ASSI { 1745}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 15   and name HG  ))
      3.400     1.400     1.400 peak  1745 spectrum    1 weight  0.10000E+01 volume  0.53508E-02 ppm1      7.266 ppm2      1.501 CV     1
 ASSI { 1747}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 16   and name HA  ))
      2.500     0.800     0.800 peak  1747 spectrum    1 weight  0.10000E+01 volume  0.18322E-01 ppm1      7.264 ppm2      4.103 CV     1
 ASSI { 1749}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 16   and name HB2 ))
      1.900     0.500     0.500 peak  1749 spectrum    1 weight  0.10000E+01 volume  0.48209E-01 ppm1      7.264 ppm2      2.319 CV     1
 ASSI { 1750}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 16   and name HB1 ))
      3.300     1.300     1.300 peak  1750 spectrum    1 weight  0.10000E+01 volume  0.21554E-01 ppm1      7.265 ppm2      2.163 CV     1
 ASSI { 1751}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 15   and name HB2 ))
      3.800     1.800     1.800 peak  1751 spectrum    1 weight  0.10000E+01 volume  0.10587E-01 ppm1      7.263 ppm2      1.716 CV     1
 ASSI { 1752}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 15   and name HB1 ))
      2.500     0.800     0.800 peak  1752 spectrum    1 weight  0.10000E+01 volume  0.75693E-02 ppm1      7.264 ppm2      1.258 CV     1
 ASSI { 1753}
   (( segid "    " and resid 16   and name HN  ))
   (  segid "    " and resid 15   and name HD2%)
      4.300     2.300     1.700 peak  1753 spectrum    1 weight  0.10000E+01 volume  0.76997E-02 ppm1      7.264 ppm2      1.011 CV     1
 OR { 1753}
   (( segid "    " and resid 16   and name HN  ))
   (  segid "    " and resid 15   and name HD1%)
 ASSI { 1758}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 59   and name HN  ))
      4.300     2.300     1.700 peak  1758 spectrum    1 weight  0.10000E+01 volume  0.33800E-02 ppm1      9.078 ppm2      8.536 CV     1
 ASSI { 1759}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 57   and name HA  ))
      2.400     0.700     0.700 peak  1759 spectrum    1 weight  0.10000E+01 volume  0.21853E-01 ppm1      9.078 ppm2      5.665 CV     1
 ASSI { 1762}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 58   and name HB  ))
      3.200     1.200     1.200 peak  1762 spectrum    1 weight  0.10000E+01 volume  0.88832E-02 ppm1      9.078 ppm2      1.982 CV     1
 ASSI { 1763}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 5    and name HB  ))
      3.200     1.300     1.300 peak  1763 spectrum    1 weight  0.10000E+01 volume  0.55947E-02 ppm1      9.076 ppm2      1.773 CV     1
 ASSI { 1764}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 5    and name HG11))
      3.400     1.500     1.500 peak  1764 spectrum    1 weight  0.10000E+01 volume  0.66904E-02 ppm1      9.081 ppm2      1.576 CV     1
 ASSI { 1765}
   (( segid "    " and resid 58   and name HN  ))
   (  segid "    " and resid 57   and name HB% )
      3.000     1.100     1.100 peak  1765 spectrum    1 weight  0.10000E+01 volume  0.15421E-01 ppm1      9.078 ppm2      1.361 CV     1
 ASSI { 1766}
   (( segid "    " and resid 58   and name HN  ))
   (  segid "    " and resid 58   and name HG2%)
      2.600     0.900     0.900 peak  1766 spectrum    1 weight  0.10000E+01 volume  0.22821E-01 ppm1      9.078 ppm2      0.993 CV     1
 OR { 1766}
   (( segid "    " and resid 58   and name HN  ))
   (  segid "    " and resid 58   and name HG1%)
 ASSI { 1767}
   (( segid "    " and resid 58   and name HN  ))
   (  segid "    " and resid 131  and name HG2%)
      3.000     3.000     3.000 peak  1767 spectrum    1 weight  0.10000E+01 volume  0.14149E-01 ppm1      9.078 ppm2      0.852 CV     1
 ASSI { 1772}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 71   and name HD22))
      4.700     2.700     1.300 peak  1772 spectrum    1 weight  0.10000E+01 volume  0.51615E-02 ppm1      7.792 ppm2      7.217 CV     1
 ASSI { 1773}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 68   and name HN  ))
      4.000     2.000     2.000 peak  1773 spectrum    1 weight  0.10000E+01 volume  0.29488E-02 ppm1      7.793 ppm2      6.890 CV     1
 ASSI { 1780}
   (( segid "    " and resid 147  and name HN  ))
   (( segid "    " and resid 144  and name HA  ))
      3.500     1.600     1.600 peak  1780 spectrum    1 weight  0.10000E+01 volume  0.24230E-02 ppm1      7.464 ppm2      3.529 CV     1
 ASSI { 1783}
   (( segid "    " and resid 147  and name HN  ))
   (( segid "    " and resid 147  and name HB2 ))
      2.300     0.700     0.700 peak  1783 spectrum    1 weight  0.10000E+01 volume  0.13155E-01 ppm1      7.463 ppm2      1.089 CV     1
 ASSI { 1784}
   (( segid "    " and resid 147  and name HN  ))
   (( segid "    " and resid 147  and name HG  ))
      2.400     0.700     0.700 peak  1784 spectrum    1 weight  0.10000E+01 volume  0.15821E-01 ppm1      7.462 ppm2      0.905 CV     1
 ASSI { 1787}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 79   and name HN  ))
      5.700     4.100     0.300 peak  1787 spectrum    1 weight  0.10000E+01 volume  0.41544E-03 ppm1      8.013 ppm2      8.780 CV     1
 ASSI { 1790}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 73   and name HB  ))
      6.000     4.600     0.000 peak  1790 spectrum    1 weight  0.10000E+01 volume  0.41366E-03 ppm1      8.014 ppm2      3.969 CV     1
 ASSI { 1796}
   (( segid "    " and resid 77   and name HN  ))
   (  segid "    " and resid 96   and name HD2%)
      3.600     1.600     1.600 peak  1796 spectrum    1 weight  0.10000E+01 volume  0.58549E-02 ppm1      8.012 ppm2      1.133 CV     1
 OR { 1796}
   (( segid "    " and resid 77   and name HN  ))
   (  segid "    " and resid 96   and name HD1%)
 ASSI { 1797}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 78   and name HG  ))
      4.100     2.100     1.900 peak  1797 spectrum    1 weight  0.10000E+01 volume  0.35314E-02 ppm1      8.012 ppm2      0.973 CV     1
 ASSI { 1807}
   (( segid "    " and resid 147  and name HN  ))
   (( segid "    " and resid 149  and name HN  ))
      5.700     4.000     0.300 peak  1807 spectrum    1 weight  0.10000E+01 volume  0.45330E-03 ppm1      7.461 ppm2      8.362 CV     1
 ASSI { 1809}
   (( segid "    " and resid 147  and name HN  ))
   (( segid "    " and resid 145  and name HA  ))
      5.800     4.200     0.200 peak  1809 spectrum    1 weight  0.10000E+01 volume  0.33951E-03 ppm1      7.466 ppm2      4.253 CV     1
 ASSI { 1810}
   (( segid "    " and resid 147  and name HN  ))
   (( segid "    " and resid 148  and name HB1 ))
      4.400     2.400     1.600 peak  1810 spectrum    1 weight  0.10000E+01 volume  0.37733E-02 ppm1      7.466 ppm2      3.248 CV     1
 ASSI { 1812}
   (( segid "    " and resid 147  and name HN  ))
   (( segid "    " and resid 146  and name HB  ))
      2.400     0.700     0.700 peak  1812 spectrum    1 weight  0.10000E+01 volume  0.10411E-01 ppm1      7.464 ppm2      1.781 CV     1
 ASSI { 1813}
   (( segid "    " and resid 147  and name HN  ))
   (( segid "    " and resid 146  and name HG11))
      3.800     1.800     1.800 peak  1813 spectrum    1 weight  0.10000E+01 volume  0.56167E-02 ppm1      7.466 ppm2      1.592 CV     1
 ASSI { 1814}
   (( segid "    " and resid 147  and name HN  ))
   (( segid "    " and resid 150  and name HG2 ))
      6.000     5.600     0.000 peak  1814 spectrum    1 weight  0.10000E+01 volume  0.16123E-03 ppm1      7.465 ppm2      1.460 CV     1
 ASSI { 1815}
   (( segid "    " and resid 147  and name HN  ))
   (  segid "    " and resid 125  and name HD1%)
      3.700     1.700     1.700 peak  1815 spectrum    1 weight  0.10000E+01 volume  0.42322E-02 ppm1      7.463 ppm2      0.470 CV     1
 OR { 1815}
   (( segid "    " and resid 147  and name HN  ))
   (  segid "    " and resid 125  and name HD2%)
 ASSI { 1816}
   (( segid "    " and resid 147  and name HN  ))
   (( segid "    " and resid 148  and name HA  ))
      6.000     5.500     0.000 peak  1816 spectrum    1 weight  0.10000E+01 volume  0.42457E-03 ppm1      7.459 ppm2      4.467 CV     1
 ASSI { 1819}
   (( segid "    " and resid 145  and name HN  ))
   (( segid "    " and resid 144  and name HN  ))
      2.800     1.000     1.000 peak  1819 spectrum    1 weight  0.10000E+01 volume  0.53182E-02 ppm1      6.774 ppm2      9.586 CV     1
 ASSI { 1822}
   (( segid "    " and resid 145  and name HN  ))
   (( segid "    " and resid 147  and name HN  ))
      3.800     1.800     1.800 peak  1822 spectrum    1 weight  0.10000E+01 volume  0.41560E-02 ppm1      6.772 ppm2      7.475 CV     1
 ASSI { 1823}
   (( segid "    " and resid 145  and name HN  ))
   (( segid "    " and resid 142  and name HA  ))
      4.100     2.100     1.900 peak  1823 spectrum    1 weight  0.10000E+01 volume  0.49329E-02 ppm1      6.777 ppm2      4.802 CV     1
 ASSI { 1824}
   (( segid "    " and resid 145  and name HN  ))
   (( segid "    " and resid 145  and name HA  ))
      2.700     0.900     0.900 peak  1824 spectrum    1 weight  0.10000E+01 volume  0.95612E-02 ppm1      6.772 ppm2      4.252 CV     1
 ASSI { 1825}
   (( segid "    " and resid 145  and name HN  ))
   (( segid "    " and resid 143  and name HA  ))
      4.600     2.600     1.400 peak  1825 spectrum    1 weight  0.10000E+01 volume  0.11583E-02 ppm1      6.776 ppm2      4.083 CV     1
 ASSI { 1826}
   (( segid "    " and resid 145  and name HN  ))
   (( segid "    " and resid 146  and name HA  ))
      4.800     2.900     1.200 peak  1826 spectrum    1 weight  0.10000E+01 volume  0.28626E-02 ppm1      6.774 ppm2      3.666 CV     1
 ASSI { 1827}
   (( segid "    " and resid 145  and name HN  ))
   (( segid "    " and resid 144  and name HA  ))
      3.300     1.400     1.400 peak  1827 spectrum    1 weight  0.10000E+01 volume  0.48633E-02 ppm1      6.775 ppm2      3.519 CV     1
 ASSI { 1828}
   (( segid "    " and resid 145  and name HN  ))
   (( segid "    " and resid 144  and name HD2 ))
      4.600     2.600     1.400 peak  1828 spectrum    1 weight  0.10000E+01 volume  0.12570E-02 ppm1      6.777 ppm2      3.379 CV     1
 ASSI { 1829}
   (( segid "    " and resid 145  and name HN  ))
   (( segid "    " and resid 145  and name HG2 ))
      3.900     1.900     1.900 peak  1829 spectrum    1 weight  0.10000E+01 volume  0.11693E-01 ppm1      6.773 ppm2      2.478 CV     1
 OR { 1829}
   (( segid "    " and resid 145  and name HN  ))
   (( segid "    " and resid 145  and name HG1 ))
 ASSI { 1830}
   (( segid "    " and resid 145  and name HN  ))
   (( segid "    " and resid 142  and name HB2 ))
      1.800     0.400     0.400 peak  1830 spectrum    1 weight  0.10000E+01 volume  0.42929E-01 ppm1      6.773 ppm2      2.275 CV     1
 ASSI { 1831}
   (( segid "    " and resid 145  and name HN  ))
   (( segid "    " and resid 142  and name HB1 ))
      2.900     1.100     1.100 peak  1831 spectrum    1 weight  0.10000E+01 volume  0.15769E-01 ppm1      6.773 ppm2      2.093 CV     1
 ASSI { 1835}
   (( segid "    " and resid 145  and name HN  ))
   (( segid "    " and resid 146  and name HG12))
      4.400     2.400     1.600 peak  1835 spectrum    1 weight  0.10000E+01 volume  0.65595E-02 ppm1      6.773 ppm2      0.975 CV     1
 ASSI { 1838}
   (( segid "    " and resid 145  and name HN  ))
   (( segid "    " and resid 142  and name HN  ))
      4.400     2.400     1.600 peak  1838 spectrum    1 weight  0.10000E+01 volume  0.20331E-02 ppm1      6.769 ppm2      9.266 CV     1
 ASSI { 1840}
   (( segid "    " and resid 144  and name HN  ))
   (( segid "    " and resid 136  and name HA  ))
      3.600     3.600     2.400 peak  1840 spectrum    1 weight  0.10000E+01 volume  0.48210E-03 ppm1      9.592 ppm2      4.527 CV     1
 ASSI { 1848}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 82   and name HN  ))
      4.700     2.800     1.300 peak  1848 spectrum    1 weight  0.10000E+01 volume  0.35948E-02 ppm1      7.644 ppm2      8.217 CV     1
 ASSI { 1850}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 79   and name HN  ))
      2.600     0.800     0.800 peak  1850 spectrum    1 weight  0.10000E+01 volume  0.10135E-01 ppm1      7.639 ppm2      8.778 CV     1
 ASSI { 1851}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 81   and name HN  ))
      2.500     0.800     0.800 peak  1851 spectrum    1 weight  0.10000E+01 volume  0.15946E-01 ppm1      7.641 ppm2      7.931 CV     1
 ASSI { 1853}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 80   and name HA  ))
      3.100     1.200     1.200 peak  1853 spectrum    1 weight  0.10000E+01 volume  0.85148E-02 ppm1      7.642 ppm2      4.532 CV     1
 ASSI { 1855}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 77   and name HA  ))
      3.100     1.200     1.200 peak  1855 spectrum    1 weight  0.10000E+01 volume  0.68152E-02 ppm1      7.641 ppm2      3.783 CV     1
 ASSI { 1856}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 76   and name HA  ))
      3.600     1.600     1.600 peak  1856 spectrum    1 weight  0.10000E+01 volume  0.34896E-02 ppm1      7.640 ppm2      3.594 CV     1
 ASSI { 1857}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 80   and name HB1 ))
      3.300     1.400     1.400 peak  1857 spectrum    1 weight  0.10000E+01 volume  0.67048E-02 ppm1      7.642 ppm2      2.874 CV     1
 ASSI { 1858}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 80   and name HG1 ))
      3.600     1.600     1.600 peak  1858 spectrum    1 weight  0.10000E+01 volume  0.15374E-01 ppm1      7.642 ppm2      2.511 CV     1
 ASSI { 1860}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 80   and name HB2 ))
      2.500     0.800     0.800 peak  1860 spectrum    1 weight  0.10000E+01 volume  0.16274E-01 ppm1      7.641 ppm2      1.779 CV     1
 ASSI { 1865}
   (( segid "    " and resid 144  and name HN  ))
   (( segid "    " and resid 142  and name HN  ))
      6.000     6.000     0.000 peak  1865 spectrum    1 weight  0.10000E+01 volume  0.13277E-03 ppm1      9.587 ppm2      9.280 CV     1
 ASSI { 1866}
   (( segid "    " and resid 144  and name HN  ))
   (( segid "    " and resid 143  and name HN  ))
      3.100     1.200     1.200 peak  1866 spectrum    1 weight  0.10000E+01 volume  0.39311E-02 ppm1      9.587 ppm2      8.442 CV     1
 ASSI { 1867}
   (( segid "    " and resid 144  and name HN  ))
   (( segid "    " and resid 147  and name HN  ))
      3.800     1.800     1.800 peak  1867 spectrum    1 weight  0.10000E+01 volume  0.36572E-02 ppm1      9.588 ppm2      7.468 CV     1
 ASSI { 1868}
   (( segid "    " and resid 144  and name HN  ))
   (  segid "    " and resid 129  and name HD% )
      4.900     3.000     1.100 peak  1868 spectrum    1 weight  0.10000E+01 volume  0.27369E-02 ppm1      9.591 ppm2      7.191 CV     1
 ASSI { 1870}
   (( segid "    " and resid 144  and name HN  ))
   (( segid "    " and resid 142  and name HA  ))
      3.000     1.100     1.100 peak  1870 spectrum    1 weight  0.10000E+01 volume  0.23427E-01 ppm1      9.589 ppm2      4.805 CV     1
 ASSI { 1871}
   (( segid "    " and resid 144  and name HN  ))
   (( segid "    " and resid 143  and name HA  ))
      3.700     1.700     1.700 peak  1871 spectrum    1 weight  0.10000E+01 volume  0.23562E-02 ppm1      9.589 ppm2      4.099 CV     1
 ASSI { 1872}
   (( segid "    " and resid 144  and name HN  ))
   (( segid "    " and resid 144  and name HA  ))
      3.000     1.100     1.100 peak  1872 spectrum    1 weight  0.10000E+01 volume  0.64881E-02 ppm1      9.590 ppm2      3.528 CV     1
 ASSI { 1874}
   (( segid "    " and resid 144  and name HN  ))
   (( segid "    " and resid 142  and name HB1 ))
      2.600     0.800     0.800 peak  1874 spectrum    1 weight  0.10000E+01 volume  0.11655E-01 ppm1      9.588 ppm2      2.109 CV     1
 ASSI { 1877}
   (( segid "    " and resid 144  and name HN  ))
   (( segid "    " and resid 143  and name HB1 ))
      2.700     0.900     0.900 peak  1877 spectrum    1 weight  0.10000E+01 volume  0.51962E-02 ppm1      9.587 ppm2      1.347 CV     1
 ASSI { 1881}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 60   and name HB2 ))
      4.800     2.800     1.200 peak  1881 spectrum    1 weight  0.10000E+01 volume  0.40258E-02 ppm1      9.017 ppm2      1.068 CV     1
 ASSI { 1885}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 16   and name HN  ))
      2.600     0.800     0.800 peak  1885 spectrum    1 weight  0.10000E+01 volume  0.14277E-01 ppm1      8.172 ppm2      7.260 CV     1
 ASSI { 1888}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 14   and name HD1 ))
      3.900     1.900     1.900 peak  1888 spectrum    1 weight  0.10000E+01 volume  0.46546E-02 ppm1      8.174 ppm2      3.713 CV     1
 ASSI { 1889}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 14   and name HD2 ))
      3.300     1.400     1.400 peak  1889 spectrum    1 weight  0.10000E+01 volume  0.32370E-02 ppm1      8.169 ppm2      3.627 CV     1
 ASSI { 1890}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 15   and name HA  ))
      3.000     1.100     1.100 peak  1890 spectrum    1 weight  0.10000E+01 volume  0.91528E-02 ppm1      8.173 ppm2      3.410 CV     1
 ASSI { 1891}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 16   and name HB2 ))
      4.100     2.100     1.900 peak  1891 spectrum    1 weight  0.10000E+01 volume  0.58428E-02 ppm1      8.173 ppm2      2.314 CV     1
 ASSI { 1892}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 15   and name HB2 ))
      2.600     0.900     0.900 peak  1892 spectrum    1 weight  0.10000E+01 volume  0.17608E-01 ppm1      8.173 ppm2      1.714 CV     1
 ASSI { 1893}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 15   and name HG  ))
      3.900     1.900     1.900 peak  1893 spectrum    1 weight  0.10000E+01 volume  0.89133E-02 ppm1      8.173 ppm2      1.498 CV     1
 ASSI { 1894}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 15   and name HB1 ))
      2.500     0.800     0.800 peak  1894 spectrum    1 weight  0.10000E+01 volume  0.16533E-01 ppm1      8.173 ppm2      1.256 CV     1
 ASSI { 1895}
   (( segid "    " and resid 15   and name HN  ))
   (  segid "    " and resid 15   and name HD1%)
      3.900     1.900     1.900 peak  1895 spectrum    1 weight  0.10000E+01 volume  0.18087E-01 ppm1      8.173 ppm2      1.016 CV     1
 OR { 1895}
   (( segid "    " and resid 15   and name HN  ))
   (  segid "    " and resid 15   and name HD2%)
 ASSI { 1898}
   (( segid "    " and resid 15   and name HN  ))
   (  segid "    " and resid 18   and name HG2%)
      5.100     3.300     0.900 peak  1898 spectrum    1 weight  0.10000E+01 volume  0.84344E-03 ppm1      8.172 ppm2      0.623 CV     1
 ASSI { 1900}
   (( segid "    " and resid 15   and name HN  ))
   (  segid "    " and resid 54   and name HD2%)
      3.700     1.700     1.700 peak  1900 spectrum    1 weight  0.10000E+01 volume  0.63970E-02 ppm1      8.173 ppm2     -0.641 CV     1
 OR { 1900}
   (( segid "    " and resid 15   and name HN  ))
   (  segid "    " and resid 54   and name HD1%)
 ASSI { 1901}
   (( segid "    " and resid 120  and name HD21))
   (( segid "    " and resid 120  and name HD22))
      2.100     0.500     0.500 peak  1901 spectrum    1 weight  0.10000E+01 volume  0.19050E-01 ppm1      8.099 ppm2      6.899 CV     1
 ASSI { 1902}
   (( segid "    " and resid 120  and name HD21))
   (( segid "    " and resid 120  and name HB1 ))
      3.100     1.200     1.200 peak  1902 spectrum    1 weight  0.10000E+01 volume  0.97251E-02 ppm1      8.103 ppm2      2.992 CV     1
 ASSI { 1903}
   (( segid "    " and resid 120  and name HD21))
   (( segid "    " and resid 120  and name HB2 ))
      2.700     0.900     0.900 peak  1903 spectrum    1 weight  0.10000E+01 volume  0.10274E-01 ppm1      8.101 ppm2      2.505 CV     1
 ASSI { 1904}
   (( segid "    " and resid 120  and name HD21))
   (( segid "    " and resid 117  and name HA  ))
      3.100     1.200     1.200 peak  1904 spectrum    1 weight  0.10000E+01 volume  0.67408E-02 ppm1      8.097 ppm2      5.064 CV     1
 ASSI { 1910}
   (( segid "    " and resid 120  and name HD22))
   (( segid "    " and resid 117  and name HA  ))
      3.600     1.700     1.700 peak  1910 spectrum    1 weight  0.10000E+01 volume  0.33710E-02 ppm1      6.907 ppm2      5.071 CV     1
 ASSI { 1911}
   (( segid "    " and resid 120  and name HD22))
   (( segid "    " and resid 120  and name HB1 ))
      4.100     2.100     1.900 peak  1911 spectrum    1 weight  0.10000E+01 volume  0.47043E-02 ppm1      6.903 ppm2      2.998 CV     1
 ASSI { 1912}
   (( segid "    " and resid 120  and name HD22))
   (( segid "    " and resid 120  and name HB2 ))
      4.200     2.200     1.800 peak  1912 spectrum    1 weight  0.10000E+01 volume  0.58874E-02 ppm1      6.903 ppm2      2.512 CV     1
 ASSI { 1913}
   (( segid "    " and resid 120  and name HD22))
   (( segid "    " and resid 120  and name HN  ))
      5.400     3.600     0.600 peak  1913 spectrum    1 weight  0.10000E+01 volume  0.62079E-03 ppm1      6.895 ppm2      7.418 CV     1
 ASSI { 1916}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 61   and name HN  ))
      2.900     1.000     1.000 peak  1916 spectrum    1 weight  0.10000E+01 volume  0.10216E-01 ppm1      9.015 ppm2      8.795 CV     1
 ASSI { 1917}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 64   and name HN  ))
      6.000     5.500     0.000 peak  1917 spectrum    1 weight  0.10000E+01 volume  0.10333E-02 ppm1      9.015 ppm2      8.540 CV     1
 ASSI { 1919}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 31   and name HN  ))
      4.000     2.000     2.000 peak  1919 spectrum    1 weight  0.10000E+01 volume  0.44573E-02 ppm1      9.013 ppm2      7.264 CV     1
 ASSI { 1921}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 31   and name HA  ))
      2.100     0.500     0.500 peak  1921 spectrum    1 weight  0.10000E+01 volume  0.23999E-01 ppm1      9.014 ppm2      5.940 CV     1
 ASSI { 1922}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 62   and name HA  ))
      3.200     1.300     1.300 peak  1922 spectrum    1 weight  0.10000E+01 volume  0.66491E-02 ppm1      9.018 ppm2      5.512 CV     1
 ASSI { 1923}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 32   and name HA  ))
      2.700     0.900     0.900 peak  1923 spectrum    1 weight  0.10000E+01 volume  0.11713E-01 ppm1      9.016 ppm2      4.922 CV     1
 ASSI { 1924}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 60   and name HA  ))
      3.700     1.700     1.700 peak  1924 spectrum    1 weight  0.10000E+01 volume  0.72103E-02 ppm1      9.018 ppm2      4.770 CV     1
 ASSI { 1926}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 62   and name HB  ))
      3.000     1.200     1.200 peak  1926 spectrum    1 weight  0.10000E+01 volume  0.60836E-02 ppm1      9.015 ppm2      3.851 CV     1
 ASSI { 1927}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 31   and name HB1 ))
      2.900     1.100     1.100 peak  1927 spectrum    1 weight  0.10000E+01 volume  0.17314E-01 ppm1      9.014 ppm2      3.598 CV     1
 OR { 1927}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 31   and name HB2 ))
 ASSI { 1928}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 32   and name HB1 ))
      3.400     1.500     1.500 peak  1928 spectrum    1 weight  0.10000E+01 volume  0.65647E-02 ppm1      9.014 ppm2      3.351 CV     1
 ASSI { 1929}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 32   and name HB2 ))
      3.000     1.100     1.100 peak  1929 spectrum    1 weight  0.10000E+01 volume  0.56782E-02 ppm1      9.015 ppm2      3.166 CV     1
 ASSI { 1931}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 61   and name HG1 ))
      4.700     2.700     1.300 peak  1931 spectrum    1 weight  0.10000E+01 volume  0.25326E-02 ppm1      9.015 ppm2      1.959 CV     1
 ASSI { 1936}
   (( segid "    " and resid 32   and name HN  ))
   (  segid "    " and resid 60   and name HD2%)
      3.500     1.600     1.600 peak  1936 spectrum    1 weight  0.10000E+01 volume  0.17740E-01 ppm1      9.014 ppm2      0.697 CV     1
 ASSI { 1937}
   (( segid "    " and resid 119  and name HN  ))
   (( segid "    " and resid 120  and name HN  ))
      2.600     0.800     0.800 peak  1937 spectrum    1 weight  0.10000E+01 volume  0.10091E-01 ppm1      8.120 ppm2      7.417 CV     1
 ASSI { 1939}
   (( segid "    " and resid 119  and name HN  ))
   (( segid "    " and resid 119  and name HA  ))
      2.600     0.800     0.800 peak  1939 spectrum    1 weight  0.10000E+01 volume  0.10058E-01 ppm1      8.120 ppm2      3.803 CV     1
 ASSI { 1940}
   (( segid "    " and resid 119  and name HN  ))
   (( segid "    " and resid 118  and name HG1 ))
      3.100     1.200     1.200 peak  1940 spectrum    1 weight  0.10000E+01 volume  0.41625E-02 ppm1      8.122 ppm2      3.314 CV     1
 OR { 1940}
   (( segid "    " and resid 119  and name HN  ))
   (( segid "    " and resid 118  and name HG2 ))
 ASSI { 1941}
   (( segid "    " and resid 119  and name HN  ))
   (( segid "    " and resid 119  and name HE2 ))
      5.500     3.800     0.500 peak  1941 spectrum    1 weight  0.10000E+01 volume  0.21041E-02 ppm1      8.118 ppm2      2.305 CV     1
 ASSI { 1942}
   (( segid "    " and resid 119  and name HN  ))
   (( segid "    " and resid 124  and name HB2 ))
      3.900     1.900     1.900 peak  1942 spectrum    1 weight  0.10000E+01 volume  0.81998E-02 ppm1      8.122 ppm2      2.174 CV     1
 OR { 1942}
   (( segid "    " and resid 119  and name HN  ))
   (( segid "    " and resid 124  and name HB1 ))
 ASSI { 1944}
   (( segid "    " and resid 119  and name HN  ))
   (( segid "    " and resid 119  and name HB1 ))
      2.800     1.000     1.000 peak  1944 spectrum    1 weight  0.10000E+01 volume  0.11308E-01 ppm1      8.121 ppm2      1.657 CV     1
 ASSI { 1945}
   (( segid "    " and resid 119  and name HN  ))
   (( segid "    " and resid 119  and name HB2 ))
      3.000     1.100     1.100 peak  1945 spectrum    1 weight  0.10000E+01 volume  0.22766E-01 ppm1      8.120 ppm2      1.501 CV     1
 OR { 1945}
   (( segid "    " and resid 119  and name HN  ))
   (( segid "    " and resid 119  and name HE1 ))
 ASSI { 1949}
   (( segid "    " and resid 119  and name HN  ))
   (( segid "    " and resid 119  and name HG1 ))
      2.800     1.000     1.000 peak  1949 spectrum    1 weight  0.10000E+01 volume  0.11391E-01 ppm1      8.121 ppm2      0.535 CV     1
 ASSI { 1950}
   (( segid "    " and resid 119  and name HN  ))
   (( segid "    " and resid 125  and name HG  ))
      3.700     1.800     1.800 peak  1950 spectrum    1 weight  0.10000E+01 volume  0.37218E-02 ppm1      8.119 ppm2      0.332 CV     1
 ASSI { 1951}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 8    and name HN  ))
      4.800     2.900     1.200 peak  1951 spectrum    1 weight  0.10000E+01 volume  0.14111E-02 ppm1      7.989 ppm2      8.714 CV     1
 ASSI { 1952}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 54   and name HN  ))
      3.100     1.200     1.200 peak  1952 spectrum    1 weight  0.10000E+01 volume  0.46819E-02 ppm1      7.989 ppm2      8.560 CV     1
 ASSI { 1953}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 10   and name HD21))
      3.500     3.500     2.500 peak  1953 spectrum    1 weight  0.10000E+01 volume  0.63162E-02 ppm1      7.987 ppm2      6.492 CV     1
 ASSI { 1955}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 8    and name HA1 ))
      3.500     1.600     1.600 peak  1955 spectrum    1 weight  0.10000E+01 volume  0.95006E-02 ppm1      7.986 ppm2      5.759 CV     1
 ASSI { 1958}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 9    and name HB2 ))
      3.300     1.400     1.400 peak  1958 spectrum    1 weight  0.10000E+01 volume  0.52330E-02 ppm1      7.988 ppm2      3.089 CV     1
 ASSI { 1960}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 54   and name HB1 ))
      3.800     1.800     1.800 peak  1960 spectrum    1 weight  0.10000E+01 volume  0.25485E-02 ppm1      7.985 ppm2      0.977 CV     1
 ASSI { 1961}
   (( segid "    " and resid 9    and name HN  ))
   (  segid "    " and resid 18   and name HG2%)
      3.800     1.800     1.800 peak  1961 spectrum    1 weight  0.10000E+01 volume  0.27229E-02 ppm1      7.985 ppm2      0.629 CV     1
 ASSI { 1962}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 54   and name HG  ))
      6.000     6.000     0.000 peak  1962 spectrum    1 weight  0.10000E+01 volume  0.15965E-03 ppm1      7.985 ppm2      0.212 CV     1
 ASSI { 1972}
   (( segid "    " and resid 148  and name HN  ))
   (( segid "    " and resid 145  and name HE22))
      3.400     3.400     2.600 peak  1972 spectrum    1 weight  0.10000E+01 volume  0.62753E-03 ppm1      7.569 ppm2      6.950 CV     1
 ASSI { 1973}
   (( segid "    " and resid 148  and name HN  ))
   (( segid "    " and resid 149  and name HN  ))
      2.500     0.800     0.800 peak  1973 spectrum    1 weight  0.10000E+01 volume  0.12246E-01 ppm1      7.554 ppm2      8.352 CV     1
 ASSI { 1976}
   (( segid "    " and resid 148  and name HN  ))
   (( segid "    " and resid 148  and name HA  ))
      2.800     1.000     1.000 peak  1976 spectrum    1 weight  0.10000E+01 volume  0.14815E-01 ppm1      7.555 ppm2      4.465 CV     1
 ASSI { 1977}
   (( segid "    " and resid 148  and name HN  ))
   (( segid "    " and resid 145  and name HA  ))
      3.100     1.200     1.200 peak  1977 spectrum    1 weight  0.10000E+01 volume  0.95481E-02 ppm1      7.554 ppm2      4.244 CV     1
 ASSI { 1980}
   (( segid "    " and resid 148  and name HN  ))
   (( segid "    " and resid 144  and name HA  ))
      5.000     3.100     1.000 peak  1980 spectrum    1 weight  0.10000E+01 volume  0.46848E-03 ppm1      7.552 ppm2      3.520 CV     1
 ASSI { 1981}
   (( segid "    " and resid 148  and name HN  ))
   (( segid "    " and resid 148  and name HB1 ))
      2.300     0.700     0.700 peak  1981 spectrum    1 weight  0.10000E+01 volume  0.34381E-01 ppm1      7.554 ppm2      3.287 CV     1
 ASSI { 1983}
   (( segid "    " and resid 148  and name HN  ))
   (( segid "    " and resid 145  and name HG2 ))
      5.200     3.400     0.800 peak  1983 spectrum    1 weight  0.10000E+01 volume  0.58710E-03 ppm1      7.554 ppm2      2.471 CV     1
 ASSI { 1985}
   (( segid "    " and resid 148  and name HN  ))
   (( segid "    " and resid 144  and name HG1 ))
      3.400     3.400     2.600 peak  1985 spectrum    1 weight  0.10000E+01 volume  0.32819E-02 ppm1      7.553 ppm2      1.585 CV     1
 ASSI { 1987}
   (( segid "    " and resid 148  and name HN  ))
   (( segid "    " and resid 147  and name HB2 ))
      2.900     1.000     1.000 peak  1987 spectrum    1 weight  0.10000E+01 volume  0.89675E-02 ppm1      7.557 ppm2      1.083 CV     1
 ASSI { 1989}
   (( segid "    " and resid 148  and name HN  ))
   (( segid "    " and resid 147  and name HB1 ))
      3.400     1.400     1.400 peak  1989 spectrum    1 weight  0.10000E+01 volume  0.84784E-02 ppm1      7.553 ppm2      0.690 CV     1
 ASSI { 1991}
   (( segid "    " and resid 148  and name HN  ))
   (( segid "    " and resid 145  and name HN  ))
      3.900     1.900     1.900 peak  1991 spectrum    1 weight  0.10000E+01 volume  0.20961E-02 ppm1      7.547 ppm2      6.762 CV     1
 ASSI { 1992}
   (( segid "    " and resid 148  and name HN  ))
   (( segid "    " and resid 146  and name HB  ))
      4.700     2.700     1.300 peak  1992 spectrum    1 weight  0.10000E+01 volume  0.16907E-02 ppm1      7.548 ppm2      1.803 CV     1
 ASSI { 1993}
   (( segid "    " and resid 148  and name HN  ))
   (( segid "    " and resid 150  and name HG2 ))
      5.700     4.100     0.300 peak  1993 spectrum    1 weight  0.10000E+01 volume  0.53952E-03 ppm1      7.545 ppm2      1.461 CV     1
 ASSI { 1995}
   (( segid "    " and resid 94   and name HN  ))
   (( segid "    " and resid 95   and name HN  ))
      5.500     3.800     0.500 peak  1995 spectrum    1 weight  0.10000E+01 volume  0.78919E-03 ppm1      6.369 ppm2      9.220 CV     1
 ASSI { 1996}
   (( segid "    " and resid 94   and name HN  ))
   (( segid "    " and resid 83   and name HN  ))
      4.700     2.800     1.300 peak  1996 spectrum    1 weight  0.10000E+01 volume  0.13376E-02 ppm1      6.371 ppm2      8.210 CV     1
 ASSI { 2000}
   (( segid "    " and resid 94   and name HN  ))
   (( segid "    " and resid 82   and name HA  ))
      3.700     1.700     1.700 peak  2000 spectrum    1 weight  0.10000E+01 volume  0.43724E-03 ppm1      6.368 ppm2      4.383 CV     1
 ASSI { 2003}
   (( segid "    " and resid 94   and name HN  ))
   (  segid "    " and resid 93   and name HG2%)
      3.300     1.300     1.300 peak  2003 spectrum    1 weight  0.10000E+01 volume  0.10274E-01 ppm1      6.368 ppm2      1.248 CV     1
 ASSI { 2004}
   (( segid "    " and resid 94   and name HN  ))
   (( segid "    " and resid 93   and name HN  ))
      3.100     1.200     1.200 peak  2004 spectrum    1 weight  0.10000E+01 volume  0.89977E-02 ppm1      6.363 ppm2      8.748 CV     1
 ASSI { 2009}
   (( segid "    " and resid 94   and name HN  ))
   (( segid "    " and resid 93   and name HB  ))
      3.000     1.100     1.100 peak  2009 spectrum    1 weight  0.10000E+01 volume  0.83188E-02 ppm1      6.363 ppm2      4.124 CV     1
 ASSI { 2023}
   (( segid "    " and resid 125  and name HN  ))
   (( segid "    " and resid 126  and name HA  ))
      4.600     2.700     1.400 peak  2023 spectrum    1 weight  0.10000E+01 volume  0.27243E-02 ppm1      7.611 ppm2      4.807 CV     1
 ASSI { 2024}
   (( segid "    " and resid 125  and name HN  ))
   (( segid "    " and resid 124  and name HA  ))
      4.400     2.400     1.600 peak  2024 spectrum    1 weight  0.10000E+01 volume  0.10890E-02 ppm1      7.608 ppm2      4.392 CV     1
 ASSI { 2026}
   (( segid "    " and resid 125  and name HN  ))
   (( segid "    " and resid 128  and name HB2 ))
      4.600     2.700     1.400 peak  2026 spectrum    1 weight  0.10000E+01 volume  0.95376E-03 ppm1      7.607 ppm2      2.027 CV     1
 ASSI { 2028}
   (( segid "    " and resid 125  and name HN  ))
   (( segid "    " and resid 125  and name HB1 ))
      3.500     1.500     1.500 peak  2028 spectrum    1 weight  0.10000E+01 volume  0.72099E-02 ppm1      7.608 ppm2      0.950 CV     1
 ASSI { 2029}
   (( segid "    " and resid 125  and name HN  ))
   (  segid "    " and resid 125  and name HD2%)
      3.800     1.800     1.800 peak  2029 spectrum    1 weight  0.10000E+01 volume  0.58547E-02 ppm1      7.608 ppm2      0.470 CV     1
 OR { 2029}
   (( segid "    " and resid 125  and name HN  ))
   (  segid "    " and resid 125  and name HD1%)
 ASSI { 2030}
   (( segid "    " and resid 125  and name HN  ))
   (( segid "    " and resid 125  and name HG  ))
      2.800     1.000     1.000 peak  2030 spectrum    1 weight  0.10000E+01 volume  0.51461E-02 ppm1      7.609 ppm2      0.335 CV     1
 ASSI { 2043}
   (( segid "    " and resid 108  and name HN  ))
   (( segid "    " and resid 107  and name HA  ))
      2.100     0.600     0.600 peak  2043 spectrum    1 weight  0.10000E+01 volume  0.39157E-01 ppm1      8.980 ppm2      5.513 CV     1
 ASSI { 2044}
   (( segid "    " and resid 108  and name HN  ))
   (( segid "    " and resid 112  and name HA  ))
      3.900     1.900     1.900 peak  2044 spectrum    1 weight  0.10000E+01 volume  0.45274E-02 ppm1      8.980 ppm2      5.239 CV     1
 ASSI { 2046}
   (( segid "    " and resid 108  and name HN  ))
   (( segid "    " and resid 108  and name HB  ))
      3.700     1.700     1.700 peak  2046 spectrum    1 weight  0.10000E+01 volume  0.44082E-02 ppm1      8.979 ppm2      4.663 CV     1
 ASSI { 2049}
   (( segid "    " and resid 108  and name HN  ))
   (( segid "    " and resid 107  and name HB1 ))
      3.600     1.600     1.600 peak  2049 spectrum    1 weight  0.10000E+01 volume  0.11982E-01 ppm1      8.980 ppm2      2.710 CV     1
 ASSI { 2050}
   (( segid "    " and resid 108  and name HN  ))
   (( segid "    " and resid 109  and name HB2 ))
      6.000     5.600     0.000 peak  2050 spectrum    1 weight  0.10000E+01 volume  0.45770E-03 ppm1      8.977 ppm2      2.037 CV     1
 OR { 2050}
   (( segid "    " and resid 108  and name HN  ))
   (( segid "    " and resid 109  and name HB1 ))
 ASSI { 2052}
   (( segid "    " and resid 108  and name HN  ))
   (  segid "    " and resid 108  and name HG2%)
      3.000     3.000     3.000 peak  2052 spectrum    1 weight  0.10000E+01 volume  0.16490E-01 ppm1      8.980 ppm2      1.219 CV     1
 ASSI { 2053}
   (( segid "    " and resid 108  and name HN  ))
   (( segid "    " and resid 111  and name HB1 ))
      2.500     2.500     3.500 peak  2053 spectrum    1 weight  0.10000E+01 volume  0.14805E-01 ppm1      8.980 ppm2      0.931 CV     1
 ASSI { 2054}
   (( segid "    " and resid 108  and name HN  ))
   (  segid "    " and resid 111  and name HD1%)
      4.700     2.800     1.300 peak  2054 spectrum    1 weight  0.10000E+01 volume  0.83276E-03 ppm1      8.980 ppm2      0.332 CV     1
 ASSI { 2060}
   (( segid "    " and resid 125  and name HN  ))
   (( segid "    " and resid 122  and name HA1 ))
      6.000     5.000     0.000 peak  2060 spectrum    1 weight  0.10000E+01 volume  0.72299E-03 ppm1      7.609 ppm2      2.853 CV     1
 ASSI { 2061}
   (( segid "    " and resid 125  and name HN  ))
   (( segid "    " and resid 124  and name HB2 ))
      3.300     1.300     1.300 peak  2061 spectrum    1 weight  0.10000E+01 volume  0.37988E-02 ppm1      7.606 ppm2      2.180 CV     1
 OR { 2061}
   (( segid "    " and resid 125  and name HN  ))
   (( segid "    " and resid 124  and name HB1 ))
 ASSI { 2077}
   (( segid "    " and resid 108  and name HN  ))
   (( segid "    " and resid 110  and name HN  ))
      5.400     3.700     0.600 peak  2077 spectrum    1 weight  0.10000E+01 volume  0.86743E-03 ppm1      8.978 ppm2      7.939 CV     1
 ASSI { 2079}
   (( segid "    " and resid 134  and name HN  ))
   (( segid "    " and resid 132  and name HA  ))
      3.000     1.200     1.200 peak  2079 spectrum    1 weight  0.10000E+01 volume  0.86562E-02 ppm1      8.283 ppm2      4.785 CV     1
 ASSI { 2080}
   (( segid "    " and resid 134  and name HN  ))
   (( segid "    " and resid 133  and name HA  ))
      3.100     1.200     1.200 peak  2080 spectrum    1 weight  0.10000E+01 volume  0.34912E-02 ppm1      8.282 ppm2      4.107 CV     1
 ASSI { 2081}
   (( segid "    " and resid 134  and name HN  ))
   (( segid "    " and resid 133  and name HD1 ))
      4.000     2.000     2.000 peak  2081 spectrum    1 weight  0.10000E+01 volume  0.46435E-02 ppm1      8.281 ppm2      3.422 CV     1
 ASSI { 2082}
   (( segid "    " and resid 134  and name HN  ))
   (( segid "    " and resid 135  and name HG  ))
      4.500     2.600     1.500 peak  2082 spectrum    1 weight  0.10000E+01 volume  0.23820E-02 ppm1      8.283 ppm2      1.274 CV     1
 ASSI { 2085}
   (( segid "    " and resid 134  and name HN  ))
   (( segid "    " and resid 134  and name HA  ))
      2.900     1.100     1.100 peak  2085 spectrum    1 weight  0.10000E+01 volume  0.11082E-01 ppm1      8.279 ppm2      4.552 CV     1
 ASSI { 2087}
   (( segid "    " and resid 134  and name HN  ))
   (( segid "    " and resid 133  and name HD2 ))
      3.000     1.100     1.100 peak  2087 spectrum    1 weight  0.10000E+01 volume  0.38096E-02 ppm1      8.278 ppm2      3.118 CV     1
 ASSI { 2088}
   (( segid "    " and resid 134  and name HN  ))
   (( segid "    " and resid 134  and name HB1 ))
      2.800     1.000     1.000 peak  2088 spectrum    1 weight  0.10000E+01 volume  0.23295E-01 ppm1      8.280 ppm2      2.312 CV     1
 OR { 2088}
   (( segid "    " and resid 134  and name HN  ))
   (( segid "    " and resid 134  and name HG1 ))
 ASSI { 2089}
   (( segid "    " and resid 134  and name HN  ))
   (( segid "    " and resid 134  and name HG2 ))
      2.500     0.800     0.800 peak  2089 spectrum    1 weight  0.10000E+01 volume  0.98493E-02 ppm1      8.280 ppm2      2.113 CV     1
 ASSI { 2090}
   (( segid "    " and resid 134  and name HN  ))
   (( segid "    " and resid 134  and name HB2 ))
      3.100     1.200     1.200 peak  2090 spectrum    1 weight  0.10000E+01 volume  0.32208E-01 ppm1      8.280 ppm2      1.762 CV     1
 ASSI { 2092}
   (( segid "    " and resid 134  and name HN  ))
   (  segid "    " and resid 132  and name HB% )
      3.400     1.500     1.500 peak  2092 spectrum    1 weight  0.10000E+01 volume  0.69415E-02 ppm1      8.279 ppm2      1.003 CV     1
 ASSI { 2097}
   (( segid "    " and resid 48   and name HE21))
   (( segid "    " and resid 45   and name HA  ))
      6.000     4.500     0.000 peak  2097 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.778 ppm2      4.618 CV     1
 ASSI { 2103}
   (( segid "    " and resid 48   and name HE21))
   (( segid "    " and resid 48   and name HG1 ))
      2.500     2.500     3.500 peak  2103 spectrum    1 weight  0.10000E+01 volume  0.11975E-01 ppm1      7.768 ppm2      2.536 CV     1
 ASSI { 2104}
   (( segid "    " and resid 48   and name HE21))
   (( segid "    " and resid 48   and name HB2 ))
      4.600     2.600     1.400 peak  2104 spectrum    1 weight  0.10000E+01 volume  0.14300E-02 ppm1      7.771 ppm2      2.283 CV     1
 ASSI { 2105}
   (( segid "    " and resid 125  and name HN  ))
   (( segid "    " and resid 123  and name HN  ))
      4.200     2.200     1.800 peak  2105 spectrum    1 weight  0.10000E+01 volume  0.12151E-02 ppm1      7.604 ppm2      6.938 CV     1
 ASSI { 2109}
   (( segid "    " and resid 48   and name HE22))
   (( segid "    " and resid 48   and name HE21))
      1.600     0.300     0.600 peak  2109 spectrum    1 weight  0.10000E+01 volume  0.49499E-01 ppm1      7.039 ppm2      7.766 CV     1
 ASSI { 2113}
   (( segid "    " and resid 48   and name HE22))
   (( segid "    " and resid 48   and name HG1 ))
      3.900     1.900     1.900 peak  2113 spectrum    1 weight  0.10000E+01 volume  0.51584E-02 ppm1      7.040 ppm2      2.535 CV     1
 ASSI { 2114}
   (( segid "    " and resid 48   and name HE22))
   (( segid "    " and resid 50   and name HB2 ))
      5.000     3.100     1.000 peak  2114 spectrum    1 weight  0.10000E+01 volume  0.11997E-02 ppm1      7.041 ppm2      1.998 CV     1
 OR { 2114}
   (( segid "    " and resid 48   and name HE22))
   (( segid "    " and resid 50   and name HB1 ))
 ASSI { 2118}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 29   and name HA  ))
      2.200     0.600     0.600 peak  2118 spectrum    1 weight  0.10000E+01 volume  0.29741E-01 ppm1      8.934 ppm2      4.338 CV     1
 ASSI { 2120}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 30   and name HA  ))
      2.300     0.700     0.700 peak  2120 spectrum    1 weight  0.10000E+01 volume  0.28262E-01 ppm1      8.934 ppm2      3.920 CV     1
 ASSI { 2123}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 30   and name HG1 ))
      3.000     1.100     1.100 peak  2123 spectrum    1 weight  0.10000E+01 volume  0.18245E-01 ppm1      8.934 ppm2      2.144 CV     1
 ASSI { 2124}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 29   and name HB1 ))
      3.800     1.800     1.800 peak  2124 spectrum    1 weight  0.10000E+01 volume  0.89560E-02 ppm1      8.935 ppm2      1.922 CV     1
 ASSI { 2125}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 64   and name HG  ))
      4.200     2.200     1.800 peak  2125 spectrum    1 weight  0.10000E+01 volume  0.49308E-02 ppm1      8.932 ppm2      0.743 CV     1
 ASSI { 2128}
   (( segid "    " and resid 102  and name HN  ))
   (( segid "    " and resid 101  and name HN  ))
      6.000     5.400     0.000 peak  2128 spectrum    1 weight  0.10000E+01 volume  0.15250E-03 ppm1      8.401 ppm2      9.844 CV     1
 ASSI { 2131}
   (( segid "    " and resid 102  and name HN  ))
   (( segid "    " and resid 2    and name HA  ))
      3.400     3.400     2.600 peak  2131 spectrum    1 weight  0.10000E+01 volume  0.71444E-03 ppm1      8.402 ppm2      4.238 CV     1
 ASSI { 2132}
   (( segid "    " and resid 102  and name HN  ))
   (( segid "    " and resid 101  and name HB2 ))
      4.600     2.600     1.400 peak  2132 spectrum    1 weight  0.10000E+01 volume  0.33557E-02 ppm1      8.403 ppm2      3.327 CV     1
 ASSI { 2133}
   (( segid "    " and resid 102  and name HN  ))
   (( segid "    " and resid 101  and name HB1 ))
      4.300     2.300     1.700 peak  2133 spectrum    1 weight  0.10000E+01 volume  0.36961E-02 ppm1      8.401 ppm2      2.313 CV     1
 ASSI { 2150}
   (( segid "    " and resid 48   and name HE21))
   (( segid "    " and resid 92   and name HA  ))
      5.200     3.400     0.800 peak  2150 spectrum    1 weight  0.10000E+01 volume  0.66397E-03 ppm1      7.789 ppm2      4.955 CV     1
 ASSI { 2152}
   (( segid "    " and resid 156  and name HD22))
   (( segid "    " and resid 156  and name HB1 ))
      3.500     1.500     1.500 peak  2152 spectrum    1 weight  0.10000E+01 volume  0.16656E-01 ppm1      7.791 ppm2      2.857 CV     1
 OR { 2152}
   (( segid "    " and resid 156  and name HD22))
   (( segid "    " and resid 156  and name HB2 ))
 ASSI { 2154}
   (( segid "    " and resid 48   and name HE21))
   (( segid "    " and resid 44   and name HB2 ))
      4.500     2.500     1.500 peak  2154 spectrum    1 weight  0.10000E+01 volume  0.15122E-02 ppm1      7.766 ppm2      1.955 CV     1
 OR { 2154}
   (( segid "    " and resid 48   and name HE21))
   (( segid "    " and resid 44   and name HB1 ))
 ASSI { 2156}
   (( segid "    " and resid 156  and name HD21))
   (( segid "    " and resid 156  and name HN  ))
      4.400     2.400     1.600 peak  2156 spectrum    1 weight  0.10000E+01 volume  0.17358E-02 ppm1      7.090 ppm2      9.322 CV     1
 ASSI { 2157}
   (( segid "    " and resid 156  and name HD21))
   (( segid "    " and resid 156  and name HD22))
      1.800     0.400     0.400 peak  2157 spectrum    1 weight  0.10000E+01 volume  0.53125E-01 ppm1      7.094 ppm2      7.788 CV     1
 ASSI { 2159}
   (( segid "    " and resid 156  and name HD21))
   (( segid "    " and resid 156  and name HA  ))
      6.000     5.100     0.000 peak  2159 spectrum    1 weight  0.10000E+01 volume  0.38755E-03 ppm1      7.091 ppm2      4.942 CV     1
 ASSI { 2160}
   (( segid "    " and resid 156  and name HD21))
   (( segid "    " and resid 156  and name HB1 ))
      2.800     1.000     1.000 peak  2160 spectrum    1 weight  0.10000E+01 volume  0.13128E-01 ppm1      7.095 ppm2      2.860 CV     1
 OR { 2160}
   (( segid "    " and resid 156  and name HD21))
   (( segid "    " and resid 156  and name HB2 ))
 ASSI { 2161}
   (( segid "    " and resid 48   and name HE22))
   (( segid "    " and resid 10   and name HD22))
      4.100     2.100     1.900 peak  2161 spectrum    1 weight  0.10000E+01 volume  0.13753E-02 ppm1      7.038 ppm2      6.868 CV     1
 ASSI { 2162}
   (( segid "    " and resid 48   and name HE22))
   (( segid "    " and resid 45   and name HA  ))
      5.100     3.300     0.900 peak  2162 spectrum    1 weight  0.10000E+01 volume  0.13515E-02 ppm1      7.039 ppm2      4.575 CV     1
 ASSI { 2163}
   (( segid "    " and resid 48   and name HE22))
   (( segid "    " and resid 44   and name HG2 ))
      4.000     2.000     2.000 peak  2163 spectrum    1 weight  0.10000E+01 volume  0.18340E-02 ppm1      7.039 ppm2      2.206 CV     1
 OR { 2163}
   (( segid "    " and resid 48   and name HE22))
   (( segid "    " and resid 44   and name HG1 ))
 ASSI { 2164}
   (( segid "    " and resid 128  and name HN  ))
   (( segid "    " and resid 129  and name HN  ))
      2.500     0.800     0.800 peak  2164 spectrum    1 weight  0.10000E+01 volume  0.11428E-01 ppm1      6.569 ppm2      8.663 CV     1
 ASSI { 2167}
   (( segid "    " and resid 128  and name HN  ))
   (( segid "    " and resid 126  and name HA  ))
      3.700     1.700     1.700 peak  2167 spectrum    1 weight  0.10000E+01 volume  0.48277E-02 ppm1      6.570 ppm2      4.795 CV     1
 ASSI { 2168}
   (( segid "    " and resid 128  and name HN  ))
   (( segid "    " and resid 127  and name HA  ))
      3.700     1.700     1.700 peak  2168 spectrum    1 weight  0.10000E+01 volume  0.33582E-02 ppm1      6.569 ppm2      4.533 CV     1
 ASSI { 2169}
   (( segid "    " and resid 128  and name HN  ))
   (( segid "    " and resid 125  and name HA  ))
      2.800     2.800     3.200 peak  2169 spectrum    1 weight  0.10000E+01 volume  0.12595E-01 ppm1      6.570 ppm2      3.837 CV     1
 ASSI { 2170}
   (( segid "    " and resid 128  and name HN  ))
   (( segid "    " and resid 127  and name HD1 ))
      3.900     1.900     1.900 peak  2170 spectrum    1 weight  0.10000E+01 volume  0.40976E-02 ppm1      6.571 ppm2      3.395 CV     1
 ASSI { 2172}
   (( segid "    " and resid 128  and name HN  ))
   (( segid "    " and resid 129  and name HB1 ))
      4.100     2.100     1.900 peak  2172 spectrum    1 weight  0.10000E+01 volume  0.53184E-02 ppm1      6.567 ppm2      2.881 CV     1
 ASSI { 2173}
   (( segid "    " and resid 128  and name HN  ))
   (( segid "    " and resid 127  and name HB2 ))
      2.600     0.800     0.800 peak  2173 spectrum    1 weight  0.10000E+01 volume  0.51470E-02 ppm1      6.568 ppm2      2.702 CV     1
 ASSI { 2175}
   (( segid "    " and resid 128  and name HN  ))
   (( segid "    " and resid 127  and name HG1 ))
      4.100     2.100     1.900 peak  2175 spectrum    1 weight  0.10000E+01 volume  0.58444E-02 ppm1      6.571 ppm2      1.562 CV     1
 ASSI { 2177}
   (( segid "    " and resid 128  and name HN  ))
   (  segid "    " and resid 128  and name HD1%)
      3.900     1.900     1.900 peak  2177 spectrum    1 weight  0.10000E+01 volume  0.91218E-02 ppm1      6.569 ppm2      0.578 CV     1
 OR { 2177}
   (( segid "    " and resid 128  and name HN  ))
   (  segid "    " and resid 128  and name HD2%)
 ASSI { 2178}
   (( segid "    " and resid 128  and name HN  ))
   (( segid "    " and resid 128  and name HG  ))
      3.700     1.700     1.700 peak  2178 spectrum    1 weight  0.10000E+01 volume  0.88306E-02 ppm1      6.569 ppm2      0.305 CV     1
 ASSI { 2179}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 70   and name HG  ))
      5.500     3.800     0.500 peak  2179 spectrum    1 weight  0.10000E+01 volume  0.43876E-03 ppm1      9.349 ppm2      1.346 CV     1
 ASSI { 2182}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 76   and name HN  ))
      5.700     4.100     0.300 peak  2182 spectrum    1 weight  0.10000E+01 volume  0.50132E-03 ppm1      9.344 ppm2      8.000 CV     1
 ASSI { 2183}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 72   and name HN  ))
      2.500     0.800     0.800 peak  2183 spectrum    1 weight  0.10000E+01 volume  0.15845E-01 ppm1      9.344 ppm2      7.772 CV     1
 ASSI { 2187}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 70   and name HA  ))
      3.400     1.500     1.500 peak  2187 spectrum    1 weight  0.10000E+01 volume  0.33055E-02 ppm1      9.343 ppm2      4.597 CV     1
 ASSI { 2189}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 73   and name HA  ))
      2.800     1.000     1.000 peak  2189 spectrum    1 weight  0.10000E+01 volume  0.11077E-01 ppm1      9.343 ppm2      4.346 CV     1
 ASSI { 2190}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 73   and name HB  ))
      3.300     1.300     1.300 peak  2190 spectrum    1 weight  0.10000E+01 volume  0.83342E-02 ppm1      9.342 ppm2      3.947 CV     1
 ASSI { 2191}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 72   and name HB1 ))
      3.400     1.500     1.500 peak  2191 spectrum    1 weight  0.10000E+01 volume  0.69198E-02 ppm1      9.342 ppm2      3.452 CV     1
 ASSI { 2194}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 68   and name HG2 ))
      3.300     3.300     2.700 peak  2194 spectrum    1 weight  0.10000E+01 volume  0.91432E-03 ppm1      9.343 ppm2      2.407 CV     1
 OR { 2194}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 68   and name HG1 ))
 ASSI { 2198}
   (( segid "    " and resid 73   and name HN  ))
   (  segid "    " and resid 73   and name HG2%)
      2.300     2.300     3.700 peak  2198 spectrum    1 weight  0.10000E+01 volume  0.26743E-01 ppm1      9.343 ppm2      1.070 CV     1
 ASSI { 2199}
   (( segid "    " and resid 73   and name HN  ))
   (  segid "    " and resid 28   and name HD1%)
      2.800     2.800     3.200 peak  2199 spectrum    1 weight  0.10000E+01 volume  0.26659E-01 ppm1      9.343 ppm2      0.794 CV     1
 ASSI { 2204}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 7    and name HN  ))
      5.600     3.900     0.400 peak  2204 spectrum    1 weight  0.10000E+01 volume  0.79438E-03 ppm1      8.728 ppm2      8.966 CV     1
 ASSI { 2206}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 8    and name HA1 ))
      3.000     1.100     1.100 peak  2206 spectrum    1 weight  0.10000E+01 volume  0.52578E-02 ppm1      8.731 ppm2      5.754 CV     1
 ASSI { 2207}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 96   and name HA  ))
      5.900     4.300     0.100 peak  2207 spectrum    1 weight  0.10000E+01 volume  0.44867E-03 ppm1      8.730 ppm2      5.364 CV     1
 ASSI { 2208}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 94   and name HA  ))
      2.600     2.600     3.400 peak  2208 spectrum    1 weight  0.10000E+01 volume  0.28259E-01 ppm1      8.728 ppm2      4.825 CV     1
 ASSI { 2209}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 8    and name HA2 ))
      3.100     1.200     1.200 peak  2209 spectrum    1 weight  0.10000E+01 volume  0.61708E-02 ppm1      8.731 ppm2      4.157 CV     1
 ASSI { 2210}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 95   and name HB1 ))
      5.500     3.800     0.500 peak  2210 spectrum    1 weight  0.10000E+01 volume  0.40002E-03 ppm1      8.734 ppm2      2.966 CV     1
 ASSI { 2211}
   (( segid "    " and resid 8    and name HN  ))
   (  segid "    " and resid 7    and name HG2%)
      2.000     2.000     4.000 peak  2211 spectrum    1 weight  0.10000E+01 volume  0.35533E-01 ppm1      8.730 ppm2      0.790 CV     1
 ASSI { 2214}
   (( segid "    " and resid 107  and name HD21))
   (( segid "    " and resid 107  and name HD22))
      1.600     0.300     0.600 peak  2214 spectrum    1 weight  0.10000E+01 volume  0.11996E+00 ppm1      7.816 ppm2      6.797 CV     1
 ASSI { 2215}
   (( segid "    " and resid 107  and name HD21))
   (( segid "    " and resid 107  and name HA  ))
      4.300     2.300     1.700 peak  2215 spectrum    1 weight  0.10000E+01 volume  0.57281E-03 ppm1      7.816 ppm2      5.505 CV     1
 ASSI { 2216}
   (( segid "    " and resid 107  and name HD21))
   (( segid "    " and resid 107  and name HB1 ))
      2.800     1.000     1.000 peak  2216 spectrum    1 weight  0.10000E+01 volume  0.13759E-01 ppm1      7.816 ppm2      2.699 CV     1
 ASSI { 2217}
   (( segid "    " and resid 107  and name HD21))
   (  segid "    " and resid 105  and name HG1%)
      3.700     1.700     1.700 peak  2217 spectrum    1 weight  0.10000E+01 volume  0.77694E-02 ppm1      7.817 ppm2      1.039 CV     1
 OR { 2217}
   (( segid "    " and resid 107  and name HD21))
   (  segid "    " and resid 105  and name HG2%)
 ASSI { 2221}
   (( segid "    " and resid 107  and name HD22))
   (( segid "    " and resid 113  and name HA  ))
      4.900     3.100     1.100 peak  2221 spectrum    1 weight  0.10000E+01 volume  0.44861E-03 ppm1      6.802 ppm2      4.303 CV     1
 ASSI { 2225}
   (( segid "    " and resid 128  and name HN  ))
   (( segid "    " and resid 128  and name HB1 ))
      3.200     1.200     1.200 peak  2225 spectrum    1 weight  0.10000E+01 volume  0.58715E-02 ppm1      6.568 ppm2      1.216 CV     1
 ASSI { 2227}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 96   and name HB1 ))
      3.000     3.000     3.000 peak  2227 spectrum    1 weight  0.10000E+01 volume  0.20518E-01 ppm1      8.733 ppm2      0.959 CV     1
 ASSI { 2231}
   (( segid "    " and resid 107  and name HD21))
   (( segid "    " and resid 106  and name HA  ))
      5.200     3.400     0.800 peak  2231 spectrum    1 weight  0.10000E+01 volume  0.81959E-03 ppm1      7.814 ppm2      4.313 CV     1
 ASSI { 2247}
   (( segid "    " and resid 107  and name HD22))
   (( segid "    " and resid 107  and name HA  ))
      6.000     5.700     0.000 peak  2247 spectrum    1 weight  0.10000E+01 volume  0.46716E-03 ppm1      6.801 ppm2      5.519 CV     1
 ASSI { 2259}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 65   and name HN  ))
      4.600     2.700     1.400 peak  2259 spectrum    1 weight  0.10000E+01 volume  0.33924E-02 ppm1      8.734 ppm2      8.405 CV     1
 ASSI { 2260}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 69   and name HN  ))
      3.600     1.600     1.600 peak  2260 spectrum    1 weight  0.10000E+01 volume  0.48633E-02 ppm1      8.732 ppm2      8.225 CV     1
 ASSI { 2262}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 68   and name HN  ))
      2.300     0.600     0.600 peak  2262 spectrum    1 weight  0.10000E+01 volume  0.15411E-01 ppm1      8.733 ppm2      6.872 CV     1
 ASSI { 2263}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 65   and name HA  ))
      3.900     1.900     1.900 peak  2263 spectrum    1 weight  0.10000E+01 volume  0.37025E-02 ppm1      8.735 ppm2      4.600 CV     1
 ASSI { 2264}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 66   and name HD2 ))
      2.400     2.400     3.600 peak  2264 spectrum    1 weight  0.10000E+01 volume  0.17610E-01 ppm1      8.733 ppm2      3.640 CV     1
 ASSI { 2265}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 66   and name HA  ))
      2.700     0.900     0.900 peak  2265 spectrum    1 weight  0.10000E+01 volume  0.12512E-01 ppm1      8.734 ppm2      3.373 CV     1
 ASSI { 2266}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 68   and name HG2 ))
      6.000     4.700     0.000 peak  2266 spectrum    1 weight  0.10000E+01 volume  0.13385E-02 ppm1      8.733 ppm2      2.404 CV     1
 OR { 2266}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 68   and name HG1 ))
 ASSI { 2267}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 67   and name HG1 ))
      3.000     1.100     1.100 peak  2267 spectrum    1 weight  0.10000E+01 volume  0.16439E-01 ppm1      8.734 ppm2      2.155 CV     1
 ASSI { 2268}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 67   and name HB1 ))
      2.600     0.800     0.800 peak  2268 spectrum    1 weight  0.10000E+01 volume  0.35963E-01 ppm1      8.734 ppm2      1.848 CV     1
 OR { 2268}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 67   and name HB2 ))
 ASSI { 2271}
   (( segid "    " and resid 67   and name HN  ))
   (  segid "    " and resid 111  and name HD1%)
      3.800     3.800     2.200 peak  2271 spectrum    1 weight  0.10000E+01 volume  0.85443E-02 ppm1      8.734 ppm2      0.333 CV     1
 ASSI { 2277}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 48   and name HE21))
      4.600     2.700     1.400 peak  2277 spectrum    1 weight  0.10000E+01 volume  0.24650E-02 ppm1      8.562 ppm2      7.767 CV     1
 ASSI { 2278}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 89   and name HE3 ))
      5.300     3.600     0.700 peak  2278 spectrum    1 weight  0.10000E+01 volume  0.47210E-03 ppm1      8.562 ppm2      7.599 CV     1
 ASSI { 2280}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 46   and name HA1 ))
      3.200     1.200     1.200 peak  2280 spectrum    1 weight  0.10000E+01 volume  0.89412E-02 ppm1      8.562 ppm2      4.694 CV     1
 ASSI { 2281}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 45   and name HA  ))
      2.100     0.600     0.600 peak  2281 spectrum    1 weight  0.10000E+01 volume  0.36708E-01 ppm1      8.562 ppm2      4.566 CV     1
 ASSI { 2283}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 90   and name HA2 ))
      4.000     2.000     2.000 peak  2283 spectrum    1 weight  0.10000E+01 volume  0.38149E-02 ppm1      8.560 ppm2      3.903 CV     1
 ASSI { 2284}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 46   and name HA2 ))
      2.500     0.800     0.800 peak  2284 spectrum    1 weight  0.10000E+01 volume  0.18607E-01 ppm1      8.562 ppm2      3.666 CV     1
 ASSI { 2286}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 45   and name HB1 ))
      3.800     1.800     1.800 peak  2286 spectrum    1 weight  0.10000E+01 volume  0.81430E-02 ppm1      8.562 ppm2      1.598 CV     1
 OR { 2286}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 45   and name HB2 ))
 ASSI { 2287}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 45   and name HG  ))
      4.100     2.100     1.900 peak  2287 spectrum    1 weight  0.10000E+01 volume  0.48266E-02 ppm1      8.561 ppm2      1.340 CV     1
 ASSI { 2289}
   (( segid "    " and resid 46   and name HN  ))
   (  segid "    " and resid 45   and name HD1%)
      2.600     2.600     3.400 peak  2289 spectrum    1 weight  0.10000E+01 volume  0.39535E-02 ppm1      8.562 ppm2      0.824 CV     1
 ASSI { 2306}
   (( segid "    " and resid 93   and name HN  ))
   (( segid "    " and resid 92   and name HA  ))
      2.600     0.800     0.800 peak  2306 spectrum    1 weight  0.10000E+01 volume  0.15769E-01 ppm1      8.753 ppm2      4.911 CV     1
 ASSI { 2307}
   (( segid "    " and resid 93   and name HN  ))
   (( segid "    " and resid 94   and name HA  ))
      3.300     1.400     1.400 peak  2307 spectrum    1 weight  0.10000E+01 volume  0.86269E-02 ppm1      8.755 ppm2      4.875 CV     1
 ASSI { 2308}
   (( segid "    " and resid 93   and name HN  ))
   (( segid "    " and resid 93   and name HA  ))
      2.800     1.000     1.000 peak  2308 spectrum    1 weight  0.10000E+01 volume  0.10459E-01 ppm1      8.756 ppm2      4.031 CV     1
 ASSI { 2309}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 68   and name HA  ))
      5.000     3.100     1.000 peak  2309 spectrum    1 weight  0.10000E+01 volume  0.16398E-02 ppm1      8.744 ppm2      4.357 CV     1
 ASSI { 2317}
   (( segid "    " and resid 149  and name HN  ))
   (( segid "    " and resid 145  and name HG2 ))
      4.400     2.500     1.600 peak  2317 spectrum    1 weight  0.10000E+01 volume  0.13513E-03 ppm1      8.360 ppm2      2.476 CV     1
 ASSI { 2318}
   (( segid "    " and resid 149  and name HN  ))
   (( segid "    " and resid 147  and name HB2 ))
      4.800     2.900     1.200 peak  2318 spectrum    1 weight  0.10000E+01 volume  0.19956E-02 ppm1      8.364 ppm2      1.090 CV     1
 ASSI { 2324}
   (( segid "    " and resid 149  and name HN  ))
   (( segid "    " and resid 148  and name HA  ))
      3.500     1.500     1.500 peak  2324 spectrum    1 weight  0.10000E+01 volume  0.51140E-02 ppm1      8.356 ppm2      4.461 CV     1
 ASSI { 2325}
   (( segid "    " and resid 149  and name HN  ))
   (( segid "    " and resid 149  and name HB  ))
      2.500     0.800     0.800 peak  2325 spectrum    1 weight  0.10000E+01 volume  0.15535E-01 ppm1      8.357 ppm2      4.189 CV     1
 ASSI { 2328}
   (( segid "    " and resid 149  and name HN  ))
   (( segid "    " and resid 148  and name HB1 ))
      2.500     2.500     3.500 peak  2328 spectrum    1 weight  0.10000E+01 volume  0.18769E-01 ppm1      8.358 ppm2      3.295 CV     1
 ASSI { 2330}
   (( segid "    " and resid 149  and name HN  ))
   (( segid "    " and resid 150  and name HG2 ))
      4.300     2.300     1.700 peak  2330 spectrum    1 weight  0.10000E+01 volume  0.25495E-02 ppm1      8.356 ppm2      1.436 CV     1
 ASSI { 2332}
   (( segid "    " and resid 149  and name HN  ))
   (( segid "    " and resid 150  and name HB1 ))
      5.000     3.100     1.000 peak  2332 spectrum    1 weight  0.10000E+01 volume  0.37527E-02 ppm1      8.355 ppm2      0.924 CV     1
 ASSI { 2333}
   (( segid "    " and resid 110  and name HN  ))
   (( segid "    " and resid 71   and name HD21))
      4.900     3.000     1.100 peak  2333 spectrum    1 weight  0.10000E+01 volume  0.51462E-03 ppm1      7.959 ppm2      7.445 CV     1
 ASSI { 2334}
   (( segid "    " and resid 110  and name HN  ))
   (( segid "    " and resid 109  and name HN  ))
      2.700     0.900     0.900 peak  2334 spectrum    1 weight  0.10000E+01 volume  0.11653E-01 ppm1      7.953 ppm2      8.879 CV     1
 ASSI { 2336}
   (( segid "    " and resid 110  and name HN  ))
   (( segid "    " and resid 111  and name HN  ))
      2.000     0.500     0.500 peak  2336 spectrum    1 weight  0.10000E+01 volume  0.24718E-01 ppm1      7.953 ppm2      7.632 CV     1
 ASSI { 2338}
   (( segid "    " and resid 110  and name HN  ))
   (( segid "    " and resid 108  and name HB  ))
      4.200     2.200     1.800 peak  2338 spectrum    1 weight  0.10000E+01 volume  0.82705E-02 ppm1      7.955 ppm2      4.661 CV     1
 ASSI { 2339}
   (( segid "    " and resid 110  and name HN  ))
   (( segid "    " and resid 110  and name HA  ))
      2.900     1.100     1.100 peak  2339 spectrum    1 weight  0.10000E+01 volume  0.87393E-02 ppm1      7.953 ppm2      4.230 CV     1
 ASSI { 2340}
   (( segid "    " and resid 110  and name HN  ))
   (( segid "    " and resid 109  and name HA  ))
      3.600     1.600     1.600 peak  2340 spectrum    1 weight  0.10000E+01 volume  0.81686E-02 ppm1      7.953 ppm2      4.028 CV     1
 ASSI { 2341}
   (( segid "    " and resid 110  and name HN  ))
   (( segid "    " and resid 110  and name HD2 ))
      4.200     2.200     1.800 peak  2341 spectrum    1 weight  0.10000E+01 volume  0.25050E-02 ppm1      7.952 ppm2      3.248 CV     1
 OR { 2341}
   (( segid "    " and resid 110  and name HN  ))
   (( segid "    " and resid 110  and name HD1 ))
 ASSI { 2343}
   (( segid "    " and resid 110  and name HN  ))
   (( segid "    " and resid 109  and name HG2 ))
      5.000     3.200     1.000 peak  2343 spectrum    1 weight  0.10000E+01 volume  0.33608E-02 ppm1      7.952 ppm2      2.288 CV     1
 ASSI { 2344}
   (( segid "    " and resid 110  and name HN  ))
   (( segid "    " and resid 109  and name HB2 ))
      2.300     0.700     0.700 peak  2344 spectrum    1 weight  0.10000E+01 volume  0.15699E-01 ppm1      7.951 ppm2      2.034 CV     1
 OR { 2344}
   (( segid "    " and resid 110  and name HN  ))
   (( segid "    " and resid 109  and name HB1 ))
 ASSI { 2345}
   (( segid "    " and resid 110  and name HN  ))
   (( segid "    " and resid 110  and name HG2 ))
      3.000     1.100     1.100 peak  2345 spectrum    1 weight  0.10000E+01 volume  0.11995E-01 ppm1      7.953 ppm2      1.777 CV     1
 OR { 2345}
   (( segid "    " and resid 110  and name HN  ))
   (( segid "    " and resid 110  and name HG1 ))
 ASSI { 2346}
   (( segid "    " and resid 110  and name HN  ))
   (( segid "    " and resid 110  and name HB1 ))
      3.400     1.400     1.400 peak  2346 spectrum    1 weight  0.10000E+01 volume  0.12926E-01 ppm1      7.953 ppm2      1.646 CV     1
 ASSI { 2349}
   (( segid "    " and resid 110  and name HN  ))
   (( segid "    " and resid 111  and name HB1 ))
      4.000     2.000     2.000 peak  2349 spectrum    1 weight  0.10000E+01 volume  0.65235E-02 ppm1      7.953 ppm2      0.922 CV     1
 ASSI { 2362}
   (( segid "    " and resid 100  and name HN  ))
   (( segid "    " and resid 99   and name HN  ))
      2.500     0.800     0.800 peak  2362 spectrum    1 weight  0.10000E+01 volume  0.97406E-02 ppm1      7.523 ppm2      9.588 CV     1
 ASSI { 2364}
   (( segid "    " and resid 100  and name HN  ))
   (  segid "    " and resid 4    and name HD% )
      3.800     1.800     1.800 peak  2364 spectrum    1 weight  0.10000E+01 volume  0.53571E-02 ppm1      7.521 ppm2      6.820 CV     1
 ASSI { 2365}
   (( segid "    " and resid 100  and name HN  ))
   (( segid "    " and resid 100  and name HA  ))
      2.600     0.800     0.800 peak  2365 spectrum    1 weight  0.10000E+01 volume  0.95380E-02 ppm1      7.523 ppm2      4.827 CV     1
 ASSI { 2368}
   (( segid "    " and resid 100  and name HN  ))
   (( segid "    " and resid 99   and name HB2 ))
      3.000     1.100     1.100 peak  2368 spectrum    1 weight  0.10000E+01 volume  0.89375E-02 ppm1      7.522 ppm2      2.291 CV     1
 ASSI { 2370}
   (( segid "    " and resid 100  and name HN  ))
   (( segid "    " and resid 100  and name HB1 ))
      3.100     1.200     1.200 peak  2370 spectrum    1 weight  0.10000E+01 volume  0.12319E-01 ppm1      7.522 ppm2      2.031 CV     1
 ASSI { 2374}
   (( segid "    " and resid 100  and name HN  ))
   (( segid "    " and resid 98   and name HG11))
      3.600     3.600     2.400 peak  2374 spectrum    1 weight  0.10000E+01 volume  0.15039E-01 ppm1      7.525 ppm2      0.983 CV     1
 ASSI { 2379}
   (( segid "    " and resid 100  and name HN  ))
   (( segid "    " and resid 4    and name HA  ))
      5.300     3.500     0.700 peak  2379 spectrum    1 weight  0.10000E+01 volume  0.78678E-03 ppm1      7.528 ppm2      5.545 CV     1
 ASSI { 2381}
   (( segid "    " and resid 100  and name HN  ))
   (( segid "    " and resid 101  and name HN  ))
      4.400     2.400     1.600 peak  2381 spectrum    1 weight  0.10000E+01 volume  0.50589E-03 ppm1      7.522 ppm2      9.846 CV     1
 ASSI { 2385}
   (( segid "    " and resid 71   and name HD21))
   (( segid "    " and resid 71   and name HD22))
      2.100     0.600     0.600 peak  2385 spectrum    1 weight  0.10000E+01 volume  0.19544E-01 ppm1      7.451 ppm2      7.197 CV     1
 ASSI { 2390}
   (( segid "    " and resid 71   and name HD22))
   (( segid "    " and resid 71   and name HB1 ))
      4.600     2.600     1.400 peak  2390 spectrum    1 weight  0.10000E+01 volume  0.42477E-02 ppm1      7.203 ppm2      2.621 CV     1
 ASSI { 2398}
   (( segid "    " and resid 38   and name HN  ))
   (  segid "    " and resid 40   and name HD% )
      4.000     2.000     2.000 peak  2398 spectrum    1 weight  0.10000E+01 volume  0.60355E-02 ppm1      9.304 ppm2      7.035 CV     1
 ASSI { 2400}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 37   and name HB1 ))
      3.100     1.200     1.200 peak  2400 spectrum    1 weight  0.10000E+01 volume  0.75499E-02 ppm1      9.304 ppm2      5.119 CV     1
 ASSI { 2402}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 37   and name HA  ))
      2.800     1.000     1.000 peak  2402 spectrum    1 weight  0.10000E+01 volume  0.12443E-01 ppm1      9.301 ppm2      4.260 CV     1
 ASSI { 2407}
   (( segid "    " and resid 50   and name HE22))
   (( segid "    " and resid 50   and name HE21))
      2.100     0.600     0.600 peak  2407 spectrum    1 weight  0.10000E+01 volume  0.10875E-01 ppm1      8.300 ppm2      7.123 CV     1
 ASSI { 2408}
   (( segid "    " and resid 50   and name HE22))
   (( segid "    " and resid 50   and name HG2 ))
      3.800     1.800     1.800 peak  2408 spectrum    1 weight  0.10000E+01 volume  0.70907E-02 ppm1      8.302 ppm2      2.364 CV     1
 OR { 2408}
   (( segid "    " and resid 50   and name HE22))
   (( segid "    " and resid 50   and name HG1 ))
 ASSI { 2409}
   (( segid "    " and resid 50   and name HE22))
   (( segid "    " and resid 50   and name HB1 ))
      3.800     1.800     1.800 peak  2409 spectrum    1 weight  0.10000E+01 volume  0.89751E-02 ppm1      8.303 ppm2      2.009 CV     1
 OR { 2409}
   (( segid "    " and resid 50   and name HE22))
   (( segid "    " and resid 50   and name HB2 ))
 ASSI { 2410}
   (( segid "    " and resid 50   and name HE22))
   (( segid "    " and resid 91   and name HB2 ))
      6.000     4.800     0.000 peak  2410 spectrum    1 weight  0.10000E+01 volume  0.41602E-03 ppm1      8.297 ppm2      1.841 CV     1
 OR { 2410}
   (( segid "    " and resid 50   and name HE22))
   (( segid "    " and resid 91   and name HB1 ))
 ASSI { 2412}
   (( segid "    " and resid 71   and name HD21))
   (( segid "    " and resid 71   and name HB2 ))
      2.900     1.000     1.000 peak  2412 spectrum    1 weight  0.10000E+01 volume  0.49260E-02 ppm1      7.452 ppm2      3.089 CV     1
 ASSI { 2413}
   (( segid "    " and resid 71   and name HD21))
   (( segid "    " and resid 71   and name HB1 ))
      3.700     1.700     1.700 peak  2413 spectrum    1 weight  0.10000E+01 volume  0.49995E-02 ppm1      7.453 ppm2      2.622 CV     1
 ASSI { 2415}
   (( segid "    " and resid 71   and name HD22))
   (( segid "    " and resid 71   and name HB2 ))
      4.500     2.600     1.500 peak  2415 spectrum    1 weight  0.10000E+01 volume  0.34032E-02 ppm1      7.204 ppm2      3.105 CV     1
 ASSI { 2418}
   (( segid "    " and resid 71   and name HD22))
   (( segid "    " and resid 74   and name HG1 ))
      5.100     3.300     0.900 peak  2418 spectrum    1 weight  0.10000E+01 volume  0.40804E-03 ppm1      7.198 ppm2      2.421 CV     1
 ASSI { 2421}
   (( segid "    " and resid 50   and name HE21))
   (( segid "    " and resid 90   and name HA1 ))
      5.500     3.800     0.500 peak  2421 spectrum    1 weight  0.10000E+01 volume  0.39793E-03 ppm1      7.125 ppm2      4.321 CV     1
 ASSI { 2424}
   (( segid "    " and resid 50   and name HE21))
   (( segid "    " and resid 50   and name HG2 ))
      3.400     1.400     1.400 peak  2424 spectrum    1 weight  0.10000E+01 volume  0.26624E-02 ppm1      7.124 ppm2      2.355 CV     1
 OR { 2424}
   (( segid "    " and resid 50   and name HE21))
   (( segid "    " and resid 50   and name HG1 ))
 ASSI { 2425}
   (( segid "    " and resid 50   and name HE21))
   (( segid "    " and resid 50   and name HB2 ))
      3.300     1.400     1.400 peak  2425 spectrum    1 weight  0.10000E+01 volume  0.12388E-01 ppm1      7.123 ppm2      2.025 CV     1
 OR { 2425}
   (( segid "    " and resid 50   and name HE21))
   (( segid "    " and resid 50   and name HB1 ))
 ASSI { 2426}
   (( segid "    " and resid 50   and name HE21))
   (( segid "    " and resid 46   and name HA2 ))
      6.000     4.600     0.000 peak  2426 spectrum    1 weight  0.10000E+01 volume  0.73282E-03 ppm1      7.119 ppm2      3.664 CV     1
 ASSI { 2429}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 38   and name HB2 ))
      3.300     1.300     1.300 peak  2429 spectrum    1 weight  0.10000E+01 volume  0.28396E-02 ppm1      9.303 ppm2      3.528 CV     1
 ASSI { 2432}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 127  and name HG1 ))
      6.000     5.700     0.000 peak  2432 spectrum    1 weight  0.10000E+01 volume  0.27895E-03 ppm1      9.303 ppm2      1.564 CV     1
 ASSI { 2439}
   (( segid "    " and resid 145  and name HE21))
   (( segid "    " and resid 142  and name HA  ))
      3.800     1.800     1.800 peak  2439 spectrum    1 weight  0.10000E+01 volume  0.61346E-02 ppm1      7.592 ppm2      4.807 CV     1
 ASSI { 2441}
   (( segid "    " and resid 103  and name HD22))
   (( segid "    " and resid 138  and name HD1 ))
      6.000     6.000     0.000 peak  2441 spectrum    1 weight  0.10000E+01 volume  0.13439E-03 ppm1      7.583 ppm2      4.028 CV     1
 OR { 2441}
   (( segid "    " and resid 103  and name HD22))
   (( segid "    " and resid 138  and name HD2 ))
 ASSI { 2444}
   (( segid "    " and resid 145  and name HE21))
   (( segid "    " and resid 145  and name HG1 ))
      3.200     1.300     1.300 peak  2444 spectrum    1 weight  0.10000E+01 volume  0.10184E-01 ppm1      7.585 ppm2      2.477 CV     1
 OR { 2444}
   (( segid "    " and resid 145  and name HE21))
   (( segid "    " and resid 145  and name HG2 ))
 ASSI { 2446}
   (( segid "    " and resid 103  and name HD22))
   (( segid "    " and resid 104  and name HB1 ))
      5.200     3.400     0.800 peak  2446 spectrum    1 weight  0.10000E+01 volume  0.96306E-03 ppm1      7.586 ppm2      2.212 CV     1
 ASSI { 2447}
   (( segid "    " and resid 103  and name HD22))
   (( segid "    " and resid 138  and name HG1 ))
      5.800     4.100     0.200 peak  2447 spectrum    1 weight  0.10000E+01 volume  0.40759E-03 ppm1      7.584 ppm2      2.002 CV     1
 OR { 2447}
   (( segid "    " and resid 103  and name HD22))
   (( segid "    " and resid 138  and name HG2 ))
 ASSI { 2451}
   (( segid "    " and resid 145  and name HE22))
   (( segid "    " and resid 145  and name HE21))
      1.300     0.200     0.900 peak  2451 spectrum    1 weight  0.10000E+01 volume  0.11517E+00 ppm1      6.939 ppm2      7.583 CV     1
 ASSI { 2454}
   (( segid "    " and resid 145  and name HE22))
   (( segid "    " and resid 145  and name HG1 ))
      4.400     2.400     1.600 peak  2454 spectrum    1 weight  0.10000E+01 volume  0.32259E-02 ppm1      6.942 ppm2      2.471 CV     1
 OR { 2454}
   (( segid "    " and resid 145  and name HE22))
   (( segid "    " and resid 145  and name HG2 ))
 ASSI { 2460}
   (( segid "    " and resid 145  and name HE21))
   (( segid "    " and resid 145  and name HA  ))
      5.000     3.100     1.000 peak  2460 spectrum    1 weight  0.10000E+01 volume  0.96385E-03 ppm1      7.582 ppm2      4.225 CV     1
 ASSI { 2464}
   (( segid "    " and resid 103  and name HD22))
   (( segid "    " and resid 103  and name HB1 ))
      3.800     1.800     1.800 peak  2464 spectrum    1 weight  0.10000E+01 volume  0.10073E-01 ppm1      7.573 ppm2      2.997 CV     1
 ASSI { 2465}
   (( segid "    " and resid 103  and name HD22))
   (( segid "    " and resid 103  and name HB2 ))
      3.800     1.800     1.800 peak  2465 spectrum    1 weight  0.10000E+01 volume  0.96049E-02 ppm1      7.574 ppm2      2.686 CV     1
 ASSI { 2477}
   (( segid "    " and resid 103  and name HD21))
   (( segid "    " and resid 103  and name HD22))
      1.700     0.400     0.500 peak  2477 spectrum    1 weight  0.10000E+01 volume  0.94730E-01 ppm1      6.981 ppm2      7.570 CV     1
 ASSI { 2479}
   (( segid "    " and resid 103  and name HD21))
   (( segid "    " and resid 138  and name HA  ))
      5.200     3.400     0.800 peak  2479 spectrum    1 weight  0.10000E+01 volume  0.91654E-03 ppm1      6.979 ppm2      4.489 CV     1
 ASSI { 2480}
   (( segid "    " and resid 103  and name HD21))
   (( segid "    " and resid 103  and name HB1 ))
      3.100     1.200     1.200 peak  2480 spectrum    1 weight  0.10000E+01 volume  0.62169E-02 ppm1      6.980 ppm2      2.998 CV     1
 ASSI { 2481}
   (( segid "    " and resid 103  and name HD21))
   (( segid "    " and resid 103  and name HA  ))
      5.700     4.100     0.300 peak  2481 spectrum    1 weight  0.10000E+01 volume  0.45917E-03 ppm1      6.977 ppm2      5.168 CV     1
 ASSI { 2483}
   (( segid "    " and resid 123  and name HN  ))
   (( segid "    " and resid 125  and name HB2 ))
      6.000     5.600     0.000 peak  2483 spectrum    1 weight  0.10000E+01 volume  0.12705E-03 ppm1      6.944 ppm2      1.063 CV     1
 ASSI { 2489}
   (( segid "    " and resid 123  and name HN  ))
   (( segid "    " and resid 123  and name HA  ))
      2.700     0.900     0.900 peak  2489 spectrum    1 weight  0.10000E+01 volume  0.71580E-02 ppm1      6.938 ppm2      4.356 CV     1
 ASSI { 2490}
   (( segid "    " and resid 145  and name HE22))
   (( segid "    " and resid 143  and name HA  ))
      4.400     2.400     1.600 peak  2490 spectrum    1 weight  0.10000E+01 volume  0.68481E-02 ppm1      6.938 ppm2      4.118 CV     1
 ASSI { 2492}
   (( segid "    " and resid 123  and name HN  ))
   (( segid "    " and resid 123  and name HB1 ))
      3.200     1.300     1.300 peak  2492 spectrum    1 weight  0.10000E+01 volume  0.60597E-02 ppm1      6.939 ppm2      3.332 CV     1
 ASSI { 2493}
   (( segid "    " and resid 123  and name HN  ))
   (( segid "    " and resid 154  and name HE1 ))
      3.500     1.500     1.500 peak  2493 spectrum    1 weight  0.10000E+01 volume  0.93519E-02 ppm1      6.939 ppm2      2.833 CV     1
 OR { 2493}
   (( segid "    " and resid 123  and name HN  ))
   (( segid "    " and resid 154  and name HE2 ))
 ASSI { 2494}
   (( segid "    " and resid 123  and name HN  ))
   (( segid "    " and resid 124  and name HB2 ))
      4.700     2.700     1.300 peak  2494 spectrum    1 weight  0.10000E+01 volume  0.31896E-02 ppm1      6.936 ppm2      2.185 CV     1
 OR { 2494}
   (( segid "    " and resid 123  and name HN  ))
   (( segid "    " and resid 124  and name HB1 ))
 ASSI { 2495}
   (( segid "    " and resid 123  and name HN  ))
   (( segid "    " and resid 118  and name HB2 ))
      6.000     6.000     0.000 peak  2495 spectrum    1 weight  0.10000E+01 volume  0.42835E-03 ppm1      6.931 ppm2      1.999 CV     1
 OR { 2495}
   (( segid "    " and resid 123  and name HN  ))
   (( segid "    " and resid 118  and name HB1 ))
 ASSI { 2497}
   (( segid "    " and resid 145  and name HE22))
   (  segid "    " and resid 146  and name HG2%)
      4.100     2.100     1.900 peak  2497 spectrum    1 weight  0.10000E+01 volume  0.49978E-02 ppm1      6.939 ppm2      0.767 CV     1
 ASSI { 2498}
   (( segid "    " and resid 123  and name HN  ))
   (( segid "    " and resid 121  and name HB1 ))
      4.500     2.500     1.500 peak  2498 spectrum    1 weight  0.10000E+01 volume  0.59855E-03 ppm1      6.938 ppm2     -0.666 CV     1
 ASSI { 2500}
   (( segid "    " and resid 139  and name HN  ))
   (( segid "    " and resid 140  and name HN  ))
      2.600     0.800     0.800 peak  2500 spectrum    1 weight  0.10000E+01 volume  0.15231E-01 ppm1      7.539 ppm2      8.373 CV     1
 ASSI { 2501}
   (( segid "    " and resid 139  and name HN  ))
   (( segid "    " and resid 141  and name HN  ))
      4.400     2.500     1.600 peak  2501 spectrum    1 weight  0.10000E+01 volume  0.43770E-02 ppm1      7.540 ppm2      7.980 CV     1
 ASSI { 2502}
   (( segid "    " and resid 139  and name HN  ))
   (  segid "    " and resid 137  and name HD% )
      4.100     2.100     1.900 peak  2502 spectrum    1 weight  0.10000E+01 volume  0.53848E-02 ppm1      7.540 ppm2      7.345 CV     1
 ASSI { 2505}
   (( segid "    " and resid 139  and name HN  ))
   (( segid "    " and resid 138  and name HD2 ))
      2.900     1.100     1.100 peak  2505 spectrum    1 weight  0.10000E+01 volume  0.11106E-01 ppm1      7.539 ppm2      4.021 CV     1
 OR { 2505}
   (( segid "    " and resid 139  and name HN  ))
   (( segid "    " and resid 138  and name HD1 ))
 ASSI { 2506}
   (( segid "    " and resid 139  and name HN  ))
   (( segid "    " and resid 137  and name HB2 ))
      2.800     1.000     1.000 peak  2506 spectrum    1 weight  0.10000E+01 volume  0.16674E-01 ppm1      7.539 ppm2      3.261 CV     1
 ASSI { 2507}
   (( segid "    " and resid 139  and name HN  ))
   (( segid "    " and resid 139  and name HB1 ))
      3.500     1.500     1.500 peak  2507 spectrum    1 weight  0.10000E+01 volume  0.10168E-01 ppm1      7.539 ppm2      3.054 CV     1
 ASSI { 2508}
   (( segid "    " and resid 139  and name HN  ))
   (( segid "    " and resid 139  and name HB2 ))
      2.700     0.900     0.900 peak  2508 spectrum    1 weight  0.10000E+01 volume  0.13065E-01 ppm1      7.540 ppm2      2.615 CV     1
 ASSI { 2509}
   (( segid "    " and resid 139  and name HN  ))
   (( segid "    " and resid 138  and name HB1 ))
      3.700     1.700     1.700 peak  2509 spectrum    1 weight  0.10000E+01 volume  0.91140E-02 ppm1      7.542 ppm2      2.415 CV     1
 ASSI { 2510}
   (( segid "    " and resid 139  and name HN  ))
   (( segid "    " and resid 138  and name HG2 ))
      3.500     1.500     1.500 peak  2510 spectrum    1 weight  0.10000E+01 volume  0.10683E-01 ppm1      7.539 ppm2      1.997 CV     1
 OR { 2510}
   (( segid "    " and resid 139  and name HN  ))
   (( segid "    " and resid 138  and name HG1 ))
 ASSI { 2511}
   (( segid "    " and resid 139  and name HN  ))
   (( segid "    " and resid 138  and name HB2 ))
      2.700     0.900     0.900 peak  2511 spectrum    1 weight  0.10000E+01 volume  0.13714E-01 ppm1      7.539 ppm2      1.843 CV     1
 ASSI { 2512}
   (( segid "    " and resid 139  and name HN  ))
   (  segid "    " and resid 136  and name HG2%)
      3.400     3.400     2.600 peak  2512 spectrum    1 weight  0.10000E+01 volume  0.82830E-02 ppm1      7.541 ppm2      1.031 CV     1
 OR { 2512}
   (( segid "    " and resid 139  and name HN  ))
   (  segid "    " and resid 136  and name HG1%)
 ASSI { 2513}
   (( segid "    " and resid 139  and name HN  ))
   (( segid "    " and resid 137  and name HN  ))
      4.900     3.000     1.100 peak  2513 spectrum    1 weight  0.10000E+01 volume  0.16751E-02 ppm1      7.538 ppm2      9.225 CV     1
 ASSI { 2515}
   (( segid "    " and resid 139  and name HN  ))
   (( segid "    " and resid 137  and name HA  ))
      3.900     1.900     1.900 peak  2515 spectrum    1 weight  0.10000E+01 volume  0.50100E-02 ppm1      7.538 ppm2      4.314 CV     1
 ASSI { 2516}
   (( segid "    " and resid 139  and name HN  ))
   (( segid "    " and resid 140  and name HA2 ))
      4.300     2.300     1.700 peak  2516 spectrum    1 weight  0.10000E+01 volume  0.43401E-02 ppm1      7.538 ppm2      3.514 CV     1
 ASSI { 2517}
   (( segid "    " and resid 139  and name HN  ))
   (( segid "    " and resid 137  and name HB1 ))
      2.900     1.000     1.000 peak  2517 spectrum    1 weight  0.10000E+01 volume  0.84681E-02 ppm1      7.538 ppm2      3.367 CV     1
 ASSI { 2527}
   (( segid "    " and resid 79   and name HE21))
   (( segid "    " and resid 76   and name HA  ))
      4.600     2.700     1.400 peak  2527 spectrum    1 weight  0.10000E+01 volume  0.60871E-03 ppm1      7.801 ppm2      3.585 CV     1
 ASSI { 2528}
   (( segid "    " and resid 79   and name HE21))
   (( segid "    " and resid 79   and name HG2 ))
      3.600     1.600     1.600 peak  2528 spectrum    1 weight  0.10000E+01 volume  0.43356E-02 ppm1      7.800 ppm2      2.582 CV     1
 ASSI { 2529}
   (( segid "    " and resid 79   and name HE21))
   (( segid "    " and resid 79   and name HB1 ))
      3.500     1.600     1.600 peak  2529 spectrum    1 weight  0.10000E+01 volume  0.45941E-02 ppm1      7.800 ppm2      2.291 CV     1
 ASSI { 2530}
   (( segid "    " and resid 79   and name HE21))
   (  segid "    " and resid 24   and name HB% )
      3.900     1.900     1.900 peak  2530 spectrum    1 weight  0.10000E+01 volume  0.29313E-02 ppm1      7.800 ppm2      1.567 CV     1
 ASSI { 2532}
   (( segid "    " and resid 79   and name HE21))
   (( segid "    " and resid 79   and name HA  ))
      5.500     3.800     0.500 peak  2532 spectrum    1 weight  0.10000E+01 volume  0.12554E-02 ppm1      7.795 ppm2      4.183 CV     1
 ASSI { 2533}
   (( segid "    " and resid 79   and name HE21))
   (( segid "    " and resid 76   and name HG11))
      6.000     4.500     0.000 peak  2533 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.794 ppm2      2.084 CV     1
 OR { 2533}
   (( segid "    " and resid 79   and name HE21))
   (( segid "    " and resid 76   and name HG12))
 ASSI { 2534}
   (( segid "    " and resid 79   and name HE21))
   (  segid "    " and resid 76   and name HG2%)
      3.500     1.500     1.500 peak  2534 spectrum    1 weight  0.10000E+01 volume  0.31026E-02 ppm1      7.799 ppm2      0.822 CV     1
 ASSI { 2535}
   (( segid "    " and resid 79   and name HE22))
   (( segid "    " and resid 79   and name HE21))
      1.700     0.300     0.500 peak  2535 spectrum    1 weight  0.10000E+01 volume  0.86299E-01 ppm1      6.980 ppm2      7.796 CV     1
 ASSI { 2537}
   (( segid "    " and resid 79   and name HE22))
   (( segid "    " and resid 76   and name HA  ))
      5.700     4.100     0.300 peak  2537 spectrum    1 weight  0.10000E+01 volume  0.59201E-03 ppm1      6.980 ppm2      3.588 CV     1
 ASSI { 2538}
   (( segid "    " and resid 79   and name HE22))
   (( segid "    " and resid 79   and name HB1 ))
      5.200     3.300     0.800 peak  2538 spectrum    1 weight  0.10000E+01 volume  0.19518E-02 ppm1      6.981 ppm2      2.281 CV     1
 ASSI { 2539}
   (( segid "    " and resid 79   and name HE22))
   (  segid "    " and resid 24   and name HB% )
      3.400     1.400     1.400 peak  2539 spectrum    1 weight  0.10000E+01 volume  0.45051E-02 ppm1      6.981 ppm2      1.565 CV     1
 ASSI { 2540}
   (( segid "    " and resid 79   and name HE22))
   (( segid "    " and resid 79   and name HG2 ))
      5.000     3.200     1.000 peak  2540 spectrum    1 weight  0.10000E+01 volume  0.16166E-02 ppm1      6.977 ppm2      2.575 CV     1
 ASSI { 2545}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 34   and name HN  ))
      2.500     0.800     0.800 peak  2545 spectrum    1 weight  0.10000E+01 volume  0.15594E-01 ppm1      7.319 ppm2      9.172 CV     1
 ASSI { 2547}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 59   and name HN  ))
      3.100     1.200     1.200 peak  2547 spectrum    1 weight  0.10000E+01 volume  0.95189E-02 ppm1      7.321 ppm2      8.529 CV     1
 ASSI { 2548}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 36   and name HN  ))
      4.000     2.000     2.000 peak  2548 spectrum    1 weight  0.10000E+01 volume  0.55622E-02 ppm1      7.318 ppm2      8.322 CV     1
 ASSI { 2550}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 58   and name HA  ))
      4.600     2.600     1.400 peak  2550 spectrum    1 weight  0.10000E+01 volume  0.31083E-02 ppm1      7.318 ppm2      5.017 CV     1
 ASSI { 2551}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 60   and name HA  ))
      3.700     1.700     1.700 peak  2551 spectrum    1 weight  0.10000E+01 volume  0.10040E-01 ppm1      7.322 ppm2      4.798 CV     1
 ASSI { 2552}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 35   and name HA  ))
      2.600     0.800     0.800 peak  2552 spectrum    1 weight  0.10000E+01 volume  0.17897E-01 ppm1      7.319 ppm2      4.617 CV     1
 ASSI { 2553}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 35   and name HB  ))
      3.700     1.700     1.700 peak  2553 spectrum    1 weight  0.10000E+01 volume  0.53406E-02 ppm1      7.319 ppm2      4.113 CV     1
 ASSI { 2556}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 34   and name HB1 ))
      2.400     0.700     0.700 peak  2556 spectrum    1 weight  0.10000E+01 volume  0.14559E-01 ppm1      7.320 ppm2      1.659 CV     1
 ASSI { 2557}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 34   and name HB2 ))
      2.800     1.000     1.000 peak  2557 spectrum    1 weight  0.10000E+01 volume  0.31343E-01 ppm1      7.319 ppm2      1.543 CV     1
 ASSI { 2568}
   (( segid "    " and resid 120  and name HN  ))
   (( segid "    " and resid 124  and name HB2 ))
      5.900     4.300     0.100 peak  2568 spectrum    1 weight  0.10000E+01 volume  0.60687E-03 ppm1      7.429 ppm2      2.174 CV     1
 OR { 2568}
   (( segid "    " and resid 120  and name HN  ))
   (( segid "    " and resid 124  and name HB1 ))
 ASSI { 2575}
   (( segid "    " and resid 120  and name HN  ))
   (( segid "    " and resid 119  and name HB1 ))
      4.500     2.500     1.500 peak  2575 spectrum    1 weight  0.10000E+01 volume  0.23242E-02 ppm1      7.422 ppm2      1.685 CV     1
 ASSI { 2577}
   (( segid "    " and resid 120  and name HN  ))
   (( segid "    " and resid 125  and name HG  ))
      5.000     3.200     1.000 peak  2577 spectrum    1 weight  0.10000E+01 volume  0.68383E-03 ppm1      7.423 ppm2      0.330 CV     1
 ASSI { 2580}
   (( segid "    " and resid 120  and name HN  ))
   (( segid "    " and resid 120  and name HA  ))
      3.000     1.100     1.100 peak  2580 spectrum    1 weight  0.10000E+01 volume  0.99722E-02 ppm1      7.419 ppm2      5.017 CV     1
 ASSI { 2581}
   (( segid "    " and resid 120  and name HN  ))
   (( segid "    " and resid 119  and name HA  ))
      3.000     1.200     1.200 peak  2581 spectrum    1 weight  0.10000E+01 volume  0.60785E-02 ppm1      7.418 ppm2      3.808 CV     1
 ASSI { 2582}
   (( segid "    " and resid 120  and name HN  ))
   (( segid "    " and resid 120  and name HB1 ))
      3.300     1.400     1.400 peak  2582 spectrum    1 weight  0.10000E+01 volume  0.98414E-02 ppm1      7.417 ppm2      2.994 CV     1
 ASSI { 2583}
   (( segid "    " and resid 120  and name HN  ))
   (( segid "    " and resid 120  and name HB2 ))
      3.000     1.100     1.100 peak  2583 spectrum    1 weight  0.10000E+01 volume  0.10877E-01 ppm1      7.418 ppm2      2.511 CV     1
 ASSI { 2585}
   (( segid "    " and resid 120  and name HN  ))
   (( segid "    " and resid 119  and name HG2 ))
      3.500     1.600     1.600 peak  2585 spectrum    1 weight  0.10000E+01 volume  0.90945E-02 ppm1      7.418 ppm2      1.314 CV     1
 ASSI { 2588}
   (( segid "    " and resid 120  and name HN  ))
   (( segid "    " and resid 119  and name HG1 ))
      4.200     2.200     1.800 peak  2588 spectrum    1 weight  0.10000E+01 volume  0.16536E-02 ppm1      7.415 ppm2      0.528 CV     1
 ASSI { 2589}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 30   and name HN  ))
      2.700     0.900     0.900 peak  2589 spectrum    1 weight  0.10000E+01 volume  0.22193E-01 ppm1      7.268 ppm2      8.936 CV     1
 ASSI { 2590}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 63   and name HN  ))
      5.300     3.500     0.700 peak  2590 spectrum    1 weight  0.10000E+01 volume  0.77028E-03 ppm1      7.271 ppm2      8.252 CV     1
 ASSI { 2592}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 31   and name HA  ))
      2.500     0.800     0.800 peak  2592 spectrum    1 weight  0.10000E+01 volume  0.16021E-01 ppm1      7.269 ppm2      5.934 CV     1
 ASSI { 2593}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 32   and name HA  ))
      5.300     3.500     0.700 peak  2593 spectrum    1 weight  0.10000E+01 volume  0.45682E-03 ppm1      7.268 ppm2      4.917 CV     1
 ASSI { 2595}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 29   and name HA  ))
      3.400     1.400     1.400 peak  2595 spectrum    1 weight  0.10000E+01 volume  0.13567E-01 ppm1      7.270 ppm2      4.339 CV     1
 ASSI { 2596}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 30   and name HA  ))
      2.600     0.800     0.800 peak  2596 spectrum    1 weight  0.10000E+01 volume  0.21972E-01 ppm1      7.269 ppm2      3.914 CV     1
 ASSI { 2597}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 31   and name HB2 ))
      2.600     0.800     0.800 peak  2597 spectrum    1 weight  0.10000E+01 volume  0.26378E-01 ppm1      7.269 ppm2      3.596 CV     1
 OR { 2597}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 31   and name HB1 ))
 ASSI { 2598}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 32   and name HB1 ))
      6.000     4.500     0.000 peak  2598 spectrum    1 weight  0.10000E+01 volume  0.54467E-03 ppm1      7.267 ppm2      3.337 CV     1
 ASSI { 2599}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 30   and name HB1 ))
      4.000     2.000     2.000 peak  2599 spectrum    1 weight  0.10000E+01 volume  0.63171E-02 ppm1      7.269 ppm2      2.403 CV     1
 ASSI { 2600}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 30   and name HG1 ))
      4.100     2.100     1.900 peak  2600 spectrum    1 weight  0.10000E+01 volume  0.12415E-01 ppm1      7.270 ppm2      2.138 CV     1
 ASSI { 2601}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 30   and name HB2 ))
      3.800     1.800     1.800 peak  2601 spectrum    1 weight  0.10000E+01 volume  0.59368E-02 ppm1      7.267 ppm2      2.023 CV     1
 ASSI { 2609}
   (( segid "    " and resid 31   and name HN  ))
   (  segid "    " and resid 28   and name HG2%)
      3.500     3.500     2.500 peak  2609 spectrum    1 weight  0.10000E+01 volume  0.71733E-02 ppm1      7.269 ppm2      0.641 CV     1
 ASSI { 2611}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 62   and name HA  ))
      4.700     2.700     1.300 peak  2611 spectrum    1 weight  0.10000E+01 volume  0.25669E-02 ppm1      7.262 ppm2      5.515 CV     1
 ASSI { 2615}
   (( segid "    " and resid 19   and name HD21))
   (( segid "    " and resid 15   and name HG  ))
      3.000     1.100     1.100 peak  2615 spectrum    1 weight  0.10000E+01 volume  0.75500E-02 ppm1      7.396 ppm2      1.500 CV     1
 ASSI { 2618}
   (( segid "    " and resid 19   and name HD21))
   (( segid "    " and resid 19   and name HA  ))
      6.000     4.900     0.000 peak  2618 spectrum    1 weight  0.10000E+01 volume  0.47848E-03 ppm1      7.393 ppm2      4.582 CV     1
 ASSI { 2619}
   (( segid "    " and resid 19   and name HD21))
   (( segid "    " and resid 16   and name HA  ))
      2.700     0.900     0.900 peak  2619 spectrum    1 weight  0.10000E+01 volume  0.36234E-02 ppm1      7.393 ppm2      4.100 CV     1
 ASSI { 2620}
   (( segid "    " and resid 19   and name HD21))
   (( segid "    " and resid 19   and name HB2 ))
      2.500     0.800     0.800 peak  2620 spectrum    1 weight  0.10000E+01 volume  0.54171E-02 ppm1      7.395 ppm2      2.849 CV     1
 ASSI { 2621}
   (( segid "    " and resid 19   and name HD21))
   (( segid "    " and resid 19   and name HB1 ))
      3.700     1.700     1.700 peak  2621 spectrum    1 weight  0.10000E+01 volume  0.52940E-02 ppm1      7.395 ppm2      2.685 CV     1
 ASSI { 2624}
   (( segid "    " and resid 19   and name HD22))
   (( segid "    " and resid 19   and name HD21))
      1.600     0.300     0.600 peak  2624 spectrum    1 weight  0.10000E+01 volume  0.41199E-01 ppm1      6.775 ppm2      7.391 CV     1
 ASSI { 2626}
   (( segid "    " and resid 19   and name HD22))
   (( segid "    " and resid 19   and name HA  ))
      5.600     3.900     0.400 peak  2626 spectrum    1 weight  0.10000E+01 volume  0.84404E-03 ppm1      6.781 ppm2      4.581 CV     1
 ASSI { 2627}
   (( segid "    " and resid 19   and name HD22))
   (( segid "    " and resid 16   and name HA  ))
      4.800     2.800     1.200 peak  2627 spectrum    1 weight  0.10000E+01 volume  0.28317E-02 ppm1      6.777 ppm2      4.103 CV     1
 ASSI { 2628}
   (( segid "    " and resid 19   and name HD22))
   (( segid "    " and resid 19   and name HB2 ))
      3.900     1.900     1.900 peak  2628 spectrum    1 weight  0.10000E+01 volume  0.56281E-02 ppm1      6.776 ppm2      2.851 CV     1
 ASSI { 2629}
   (( segid "    " and resid 19   and name HD22))
   (( segid "    " and resid 19   and name HB1 ))
      4.100     2.100     1.900 peak  2629 spectrum    1 weight  0.10000E+01 volume  0.75483E-02 ppm1      6.774 ppm2      2.688 CV     1
 ASSI { 2630}
   (( segid "    " and resid 19   and name HD22))
   (( segid "    " and resid 15   and name HG  ))
      2.300     0.700     0.700 peak  2630 spectrum    1 weight  0.10000E+01 volume  0.74326E-02 ppm1      6.774 ppm2      1.497 CV     1
 ASSI { 2632}
   (( segid "    " and resid 17   and name HE21))
   (( segid "    " and resid 17   and name HE22))
      2.200     0.600     0.600 peak  2632 spectrum    1 weight  0.10000E+01 volume  0.10669E-01 ppm1      7.710 ppm2      6.851 CV     1
 ASSI { 2633}
   (( segid "    " and resid 17   and name HE21))
   (( segid "    " and resid 17   and name HB1 ))
      5.000     3.100     1.000 peak  2633 spectrum    1 weight  0.10000E+01 volume  0.56914E-03 ppm1      7.711 ppm2      2.157 CV     1
 OR { 2633}
   (( segid "    " and resid 17   and name HE21))
   (( segid "    " and resid 17   and name HB2 ))
 ASSI { 2635}
   (( segid "    " and resid 17   and name HE22))
   (( segid "    " and resid 93   and name HB  ))
      5.100     3.200     0.900 peak  2635 spectrum    1 weight  0.10000E+01 volume  0.68517E-03 ppm1      6.856 ppm2      4.109 CV     1
 ASSI { 2636}
   (( segid "    " and resid 17   and name HE22))
   (( segid "    " and resid 17   and name HA  ))
      4.700     2.800     1.300 peak  2636 spectrum    1 weight  0.10000E+01 volume  0.18888E-02 ppm1      6.855 ppm2      3.987 CV     1
 ASSI { 2637}
   (( segid "    " and resid 17   and name HE22))
   (( segid "    " and resid 9    and name HB1 ))
      5.600     3.900     0.400 peak  2637 spectrum    1 weight  0.10000E+01 volume  0.39349E-03 ppm1      6.854 ppm2      3.880 CV     1
 ASSI { 2638}
   (( segid "    " and resid 17   and name HE22))
   (( segid "    " and resid 17   and name HG1 ))
      3.900     1.900     1.900 peak  2638 spectrum    1 weight  0.10000E+01 volume  0.65979E-02 ppm1      6.856 ppm2      2.627 CV     1
 OR { 2638}
   (( segid "    " and resid 17   and name HE22))
   (( segid "    " and resid 17   and name HG2 ))
 ASSI { 2639}
   (( segid "    " and resid 17   and name HE22))
   (  segid "    " and resid 93   and name HG2%)
      3.100     1.200     1.200 peak  2639 spectrum    1 weight  0.10000E+01 volume  0.11334E-01 ppm1      6.855 ppm2      1.230 CV     1
 ASSI { 2640}
   (( segid "    " and resid 74   and name HE21))
   (( segid "    " and resid 74   and name HE22))
      2.400     0.700     0.700 peak  2640 spectrum    1 weight  0.10000E+01 volume  0.93525E-02 ppm1      8.219 ppm2      7.092 CV     1
 ASSI { 2641}
   (( segid "    " and resid 74   and name HE21))
   (( segid "    " and resid 95   and name HA  ))
      6.000     5.300     0.000 peak  2641 spectrum    1 weight  0.10000E+01 volume  0.27336E-03 ppm1      8.218 ppm2      5.165 CV     1
 ASSI { 2644}
   (( segid "    " and resid 17   and name HE21))
   (( segid "    " and resid 17   and name HG1 ))
      3.000     1.200     1.200 peak  2644 spectrum    1 weight  0.10000E+01 volume  0.50897E-02 ppm1      7.712 ppm2      2.623 CV     1
 OR { 2644}
   (( segid "    " and resid 17   and name HE21))
   (( segid "    " and resid 17   and name HG2 ))
 ASSI { 2649}
   (( segid "    " and resid 74   and name HE22))
   (( segid "    " and resid 74   and name HA  ))
      6.000     5.900     0.000 peak  2649 spectrum    1 weight  0.10000E+01 volume  0.13941E-03 ppm1      7.099 ppm2      4.254 CV     1
 ASSI { 2651}
   (( segid "    " and resid 74   and name HE22))
   (( segid "    " and resid 95   and name HA  ))
      4.600     2.600     1.400 peak  2651 spectrum    1 weight  0.10000E+01 volume  0.88958E-03 ppm1      7.091 ppm2      5.189 CV     1
 ASSI { 2653}
   (( segid "    " and resid 74   and name HE22))
   (( segid "    " and resid 74   and name HG2 ))
      5.200     3.400     0.800 peak  2653 spectrum    1 weight  0.10000E+01 volume  0.11023E-02 ppm1      7.090 ppm2      2.958 CV     1
 ASSI { 2654}
   (( segid "    " and resid 74   and name HE22))
   (( segid "    " and resid 74   and name HG1 ))
      6.000     4.900     0.000 peak  2654 spectrum    1 weight  0.10000E+01 volume  0.48038E-03 ppm1      7.093 ppm2      2.431 CV     1
 ASSI { 2655}
   (( segid "    " and resid 74   and name HE22))
   (  segid "    " and resid 70   and name HD2%)
      4.300     2.300     1.700 peak  2655 spectrum    1 weight  0.10000E+01 volume  0.33370E-02 ppm1      7.093 ppm2      0.720 CV     1
 ASSI { 2658}
   (( segid "    " and resid 17   and name HE22))
   (( segid "    " and resid 17   and name HB1 ))
      6.000     6.000     0.000 peak  2658 spectrum    1 weight  0.10000E+01 volume  0.15002E-03 ppm1      6.855 ppm2      2.135 CV     1
 OR { 2658}
   (( segid "    " and resid 17   and name HE22))
   (( segid "    " and resid 17   and name HB2 ))
 ASSI { 2665}
   (( segid "    " and resid 140  and name HN  ))
   (( segid "    " and resid 137  and name HN  ))
      4.100     2.100     1.900 peak  2665 spectrum    1 weight  0.10000E+01 volume  0.26233E-02 ppm1      8.376 ppm2      9.228 CV     1
 ASSI { 2669}
   (( segid "    " and resid 140  and name HN  ))
   (  segid "    " and resid 137  and name HD% )
      5.200     3.400     0.800 peak  2669 spectrum    1 weight  0.10000E+01 volume  0.15791E-02 ppm1      8.377 ppm2      7.341 CV     1
 ASSI { 2670}
   (( segid "    " and resid 140  and name HN  ))
   (( segid "    " and resid 140  and name HA1 ))
      2.600     0.800     0.800 peak  2670 spectrum    1 weight  0.10000E+01 volume  0.28548E-01 ppm1      8.375 ppm2      4.405 CV     1
 ASSI { 2672}
   (( segid "    " and resid 140  and name HN  ))
   (( segid "    " and resid 138  and name HD2 ))
      3.300     3.300     2.700 peak  2672 spectrum    1 weight  0.10000E+01 volume  0.86848E-03 ppm1      8.375 ppm2      4.021 CV     1
 OR { 2672}
   (( segid "    " and resid 140  and name HN  ))
   (( segid "    " and resid 138  and name HD1 ))
 ASSI { 2673}
   (( segid "    " and resid 140  and name HN  ))
   (( segid "    " and resid 140  and name HA2 ))
      2.500     0.800     0.800 peak  2673 spectrum    1 weight  0.10000E+01 volume  0.25389E-01 ppm1      8.375 ppm2      3.526 CV     1
 ASSI { 2675}
   (( segid "    " and resid 140  and name HN  ))
   (( segid "    " and resid 139  and name HB1 ))
      3.600     1.600     1.600 peak  2675 spectrum    1 weight  0.10000E+01 volume  0.36750E-02 ppm1      8.375 ppm2      3.053 CV     1
 ASSI { 2676}
   (( segid "    " and resid 140  and name HN  ))
   (( segid "    " and resid 139  and name HB2 ))
      3.500     1.600     1.600 peak  2676 spectrum    1 weight  0.10000E+01 volume  0.33983E-02 ppm1      8.375 ppm2      2.620 CV     1
 ASSI { 2679}
   (( segid "    " and resid 140  and name HN  ))
   (( segid "    " and resid 141  and name HB1 ))
      4.200     2.200     1.800 peak  2679 spectrum    1 weight  0.10000E+01 volume  0.41200E-02 ppm1      8.376 ppm2      1.860 CV     1
 ASSI { 2681}
   (( segid "    " and resid 140  and name HN  ))
   (  segid "    " and resid 136  and name HG2%)
      3.200     3.200     2.800 peak  2681 spectrum    1 weight  0.10000E+01 volume  0.14377E-01 ppm1      8.374 ppm2      1.025 CV     1
 ASSI { 2684}
   (( segid "    " and resid 10   and name HD22))
   (( segid "    " and resid 10   and name HD21))
      3.300     3.300     2.700 peak  2684 spectrum    1 weight  0.10000E+01 volume  0.59609E-03 ppm1      6.862 ppm2      6.461 CV     1
 ASSI { 2689}
   (( segid "    " and resid 10   and name HD22))
   (( segid "    " and resid 10   and name HA  ))
      6.000     6.000     0.000 peak  2689 spectrum    1 weight  0.10000E+01 volume  0.14795E-03 ppm1      6.871 ppm2      4.688 CV     1
 ASSI { 2690}
   (( segid "    " and resid 10   and name HD22))
   (( segid "    " and resid 91   and name HG2 ))
      3.100     1.200     1.200 peak  2690 spectrum    1 weight  0.10000E+01 volume  0.42666E-02 ppm1      6.862 ppm2      2.067 CV     1
 OR { 2690}
   (( segid "    " and resid 10   and name HD22))
   (( segid "    " and resid 91   and name HG1 ))
 ASSI { 2695}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 12   and name HN  ))
      3.200     1.300     1.300 peak  2695 spectrum    1 weight  0.10000E+01 volume  0.67679E-02 ppm1      8.706 ppm2      8.147 CV     1
 ASSI { 2696}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 13   and name HB2 ))
      3.600     1.700     1.700 peak  2696 spectrum    1 weight  0.10000E+01 volume  0.51294E-02 ppm1      8.706 ppm2      4.428 CV     1
 ASSI { 2697}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 13   and name HA  ))
      2.500     0.800     0.800 peak  2697 spectrum    1 weight  0.10000E+01 volume  0.19677E-01 ppm1      8.705 ppm2      4.084 CV     1
 ASSI { 2698}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 12   and name HA  ))
      2.900     1.000     1.000 peak  2698 spectrum    1 weight  0.10000E+01 volume  0.13161E-01 ppm1      8.706 ppm2      3.876 CV     1
 ASSI { 2699}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 14   and name HD1 ))
      3.100     1.200     1.200 peak  2699 spectrum    1 weight  0.10000E+01 volume  0.70411E-02 ppm1      8.706 ppm2      3.710 CV     1
 ASSI { 2703}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 14   and name HG1 ))
      6.000     5.700     0.000 peak  2703 spectrum    1 weight  0.10000E+01 volume  0.41429E-03 ppm1      8.702 ppm2      1.440 CV     1
 ASSI { 2704}
   (( segid "    " and resid 13   and name HN  ))
   (  segid "    " and resid 12   and name HB% )
      3.600     1.600     1.600 peak  2704 spectrum    1 weight  0.10000E+01 volume  0.82401E-02 ppm1      8.706 ppm2      1.237 CV     1
 ASSI { 2711}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 80   and name HB1 ))
      4.000     2.000     2.000 peak  2711 spectrum    1 weight  0.10000E+01 volume  0.23893E-02 ppm1      7.933 ppm2      2.866 CV     1
 ASSI { 2714}
   (( segid "    " and resid 80   and name HE21))
   (( segid "    " and resid 80   and name HE22))
      2.200     0.600     0.600 peak  2714 spectrum    1 weight  0.10000E+01 volume  0.91045E-02 ppm1      7.884 ppm2      7.446 CV     1
 ASSI { 2715}
   (( segid "    " and resid 80   and name HE21))
   (( segid "    " and resid 19   and name HB2 ))
      2.500     2.500     3.500 peak  2715 spectrum    1 weight  0.10000E+01 volume  0.43633E-02 ppm1      7.883 ppm2      2.860 CV     1
 ASSI { 2717}
   (( segid "    " and resid 80   and name HE21))
   (  segid "    " and resid 20   and name HB% )
      3.400     1.400     1.400 peak  2717 spectrum    1 weight  0.10000E+01 volume  0.54130E-02 ppm1      7.887 ppm2      1.468 CV     1
 ASSI { 2718}
   (( segid "    " and resid 80   and name HE21))
   (  segid "    " and resid 76   and name HG2%)
      2.500     2.500     3.500 peak  2718 spectrum    1 weight  0.10000E+01 volume  0.39607E-02 ppm1      7.886 ppm2      0.833 CV     1
 ASSI { 2719}
   (( segid "    " and resid 80   and name HE22))
   (( segid "    " and resid 21   and name HN  ))
      4.900     2.900     1.100 peak  2719 spectrum    1 weight  0.10000E+01 volume  0.10007E-02 ppm1      7.457 ppm2      8.478 CV     1
 ASSI { 2722}
   (( segid "    " and resid 80   and name HE22))
   (( segid "    " and resid 80   and name HA  ))
      5.700     4.000     0.300 peak  2722 spectrum    1 weight  0.10000E+01 volume  0.51750E-03 ppm1      7.453 ppm2      4.534 CV     1
 ASSI { 2724}
   (( segid "    " and resid 80   and name HE22))
   (( segid "    " and resid 17   and name HA  ))
      3.200     1.200     1.200 peak  2724 spectrum    1 weight  0.10000E+01 volume  0.56485E-02 ppm1      7.453 ppm2      3.987 CV     1
 ASSI { 2725}
   (( segid "    " and resid 80   and name HE22))
   (( segid "    " and resid 80   and name HB1 ))
      4.400     2.400     1.600 peak  2725 spectrum    1 weight  0.10000E+01 volume  0.28084E-02 ppm1      7.451 ppm2      2.866 CV     1
 ASSI { 2727}
   (( segid "    " and resid 80   and name HE22))
   (( segid "    " and resid 16   and name HB1 ))
      2.600     2.600     3.400 peak  2727 spectrum    1 weight  0.10000E+01 volume  0.10278E-01 ppm1      7.454 ppm2      2.208 CV     1
 ASSI { 2728}
   (( segid "    " and resid 80   and name HE22))
   (( segid "    " and resid 80   and name HB2 ))
      3.900     1.900     1.900 peak  2728 spectrum    1 weight  0.10000E+01 volume  0.74027E-02 ppm1      7.453 ppm2      1.766 CV     1
 ASSI { 2729}
   (( segid "    " and resid 80   and name HE22))
   (  segid "    " and resid 20   and name HB% )
      2.600     0.900     0.900 peak  2729 spectrum    1 weight  0.10000E+01 volume  0.14307E-01 ppm1      7.453 ppm2      1.474 CV     1
 ASSI { 2732}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 80   and name HA  ))
      3.400     1.400     1.400 peak  2732 spectrum    1 weight  0.10000E+01 volume  0.66502E-02 ppm1      7.930 ppm2      4.532 CV     1
 ASSI { 2733}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 81   and name HA1 ))
      2.800     1.000     1.000 peak  2733 spectrum    1 weight  0.10000E+01 volume  0.27858E-01 ppm1      7.930 ppm2      4.134 CV     1
 ASSI { 2734}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 81   and name HA2 ))
      2.400     0.700     0.700 peak  2734 spectrum    1 weight  0.10000E+01 volume  0.22162E-01 ppm1      7.929 ppm2      3.827 CV     1
 ASSI { 2735}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 80   and name HB2 ))
      3.800     1.800     1.800 peak  2735 spectrum    1 weight  0.10000E+01 volume  0.62396E-02 ppm1      7.931 ppm2      1.786 CV     1
 ASSI { 2736}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 79   and name HN  ))
      4.200     2.200     1.800 peak  2736 spectrum    1 weight  0.10000E+01 volume  0.22082E-02 ppm1      7.928 ppm2      8.763 CV     1
 ASSI { 2740}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 80   and name HG1 ))
      4.200     2.200     1.800 peak  2740 spectrum    1 weight  0.10000E+01 volume  0.36189E-02 ppm1      7.928 ppm2      2.510 CV     1
 ASSI { 2744}
   (( segid "    " and resid 81   and name HN  ))
   (  segid "    " and resid 83   and name HG2%)
      3.500     3.500     2.500 peak  2744 spectrum    1 weight  0.10000E+01 volume  0.35875E-02 ppm1      7.928 ppm2      0.985 CV     1
 OR { 2744}
   (( segid "    " and resid 81   and name HN  ))
   (  segid "    " and resid 83   and name HG1%)
 ASSI { 2748}
   (( segid "    " and resid 131  and name HN  ))
   (( segid "    " and resid 128  and name HN  ))
      4.900     3.000     1.100 peak  2748 spectrum    1 weight  0.10000E+01 volume  0.13950E-02 ppm1      6.932 ppm2      6.574 CV     1
 ASSI { 2749}
   (( segid "    " and resid 131  and name HN  ))
   (( segid "    " and resid 131  and name HA  ))
      2.900     1.100     1.100 peak  2749 spectrum    1 weight  0.10000E+01 volume  0.84450E-02 ppm1      6.933 ppm2      4.498 CV     1
 ASSI { 2750}
   (( segid "    " and resid 131  and name HN  ))
   (( segid "    " and resid 37   and name HA  ))
      6.000     5.900     0.000 peak  2750 spectrum    1 weight  0.10000E+01 volume  0.14657E-03 ppm1      6.935 ppm2      4.260 CV     1
 ASSI { 2751}
   (( segid "    " and resid 131  and name HN  ))
   (( segid "    " and resid 37   and name HB2 ))
      5.100     3.200     0.900 peak  2751 spectrum    1 weight  0.10000E+01 volume  0.78467E-03 ppm1      6.934 ppm2      4.096 CV     1
 ASSI { 2752}
   (( segid "    " and resid 131  and name HN  ))
   (( segid "    " and resid 128  and name HA  ))
      2.800     1.000     1.000 peak  2752 spectrum    1 weight  0.10000E+01 volume  0.82506E-02 ppm1      6.933 ppm2      3.857 CV     1
 ASSI { 2753}
   (( segid "    " and resid 131  and name HN  ))
   (( segid "    " and resid 130  and name HB2 ))
      3.900     1.900     1.900 peak  2753 spectrum    1 weight  0.10000E+01 volume  0.45095E-02 ppm1      6.932 ppm2      2.287 CV     1
 ASSI { 2755}
   (( segid "    " and resid 131  and name HN  ))
   (( segid "    " and resid 131  and name HB  ))
      3.500     1.600     1.600 peak  2755 spectrum    1 weight  0.10000E+01 volume  0.76928E-02 ppm1      6.933 ppm2      2.149 CV     1
 ASSI { 2756}
   (( segid "    " and resid 131  and name HN  ))
   (( segid "    " and resid 131  and name HG12))
      2.500     0.800     0.800 peak  2756 spectrum    1 weight  0.10000E+01 volume  0.11422E-01 ppm1      6.933 ppm2      1.657 CV     1
 OR { 2756}
   (( segid "    " and resid 131  and name HN  ))
   (( segid "    " and resid 131  and name HG11))
 ASSI { 2757}
   (( segid "    " and resid 131  and name HN  ))
   (( segid "    " and resid 133  and name HB1 ))
      3.500     3.500     2.500 peak  2757 spectrum    1 weight  0.10000E+01 volume  0.12004E-01 ppm1      6.934 ppm2      1.477 CV     1
 ASSI { 2759}
   (( segid "    " and resid 131  and name HN  ))
   (  segid "    " and resid 132  and name HB% )
      4.300     2.300     1.700 peak  2759 spectrum    1 weight  0.10000E+01 volume  0.49233E-02 ppm1      6.932 ppm2      1.005 CV     1
 ASSI { 2762}
   (( segid "    " and resid 131  and name HN  ))
   (( segid "    " and resid 128  and name HG  ))
      4.500     2.500     1.500 peak  2762 spectrum    1 weight  0.10000E+01 volume  0.26460E-02 ppm1      6.935 ppm2      0.309 CV     1
 ASSI { 2763}
   (( segid "    " and resid 131  and name HN  ))
   (( segid "    " and resid 129  and name HN  ))
      6.000     4.600     0.000 peak  2763 spectrum    1 weight  0.10000E+01 volume  0.41941E-03 ppm1      6.928 ppm2      8.650 CV     1
 ASSI { 2764}
   (( segid "    " and resid 131  and name HN  ))
   (( segid "    " and resid 132  and name HA  ))
      5.700     4.000     0.300 peak  2764 spectrum    1 weight  0.10000E+01 volume  0.88308E-03 ppm1      6.931 ppm2      4.770 CV     1
 ASSI { 2765}
   (( segid "    " and resid 131  and name HN  ))
   (( segid "    " and resid 133  and name HD2 ))
      6.000     4.800     0.000 peak  2765 spectrum    1 weight  0.10000E+01 volume  0.93585E-03 ppm1      6.929 ppm2      3.128 CV     1
 ASSI { 2766}
   (( segid "    " and resid 131  and name HN  ))
   (( segid "    " and resid 130  and name HB1 ))
      3.200     1.300     1.300 peak  2766 spectrum    1 weight  0.10000E+01 volume  0.40589E-02 ppm1      6.932 ppm2      2.643 CV     1
 ASSI { 2770}
   (( segid "    " and resid 90   and name HN  ))
   (( segid "    " and resid 87   and name HG1 ))
      2.800     2.800     3.200 peak  2770 spectrum    1 weight  0.10000E+01 volume  0.22117E-02 ppm1      7.892 ppm2      2.333 CV     1
 OR { 2770}
   (( segid "    " and resid 90   and name HN  ))
   (( segid "    " and resid 87   and name HG2 ))
 ASSI { 2772}
   (( segid "    " and resid 90   and name HN  ))
   (( segid "    " and resid 88   and name HA  ))
      4.200     2.200     1.800 peak  2772 spectrum    1 weight  0.10000E+01 volume  0.38495E-02 ppm1      7.884 ppm2      4.073 CV     1
 ASSI { 2773}
   (( segid "    " and resid 90   and name HN  ))
   (( segid "    " and resid 90   and name HA2 ))
      2.900     1.100     1.100 peak  2773 spectrum    1 weight  0.10000E+01 volume  0.11899E-01 ppm1      7.887 ppm2      3.918 CV     1
 ASSI { 2777}
   (( segid "    " and resid 90   and name HN  ))
   (( segid "    " and resid 91   and name HD2 ))
      4.500     2.500     1.500 peak  2777 spectrum    1 weight  0.10000E+01 volume  0.48568E-02 ppm1      7.890 ppm2      3.512 CV     1
 ASSI { 2778}
   (( segid "    " and resid 90   and name HN  ))
   (( segid "    " and resid 89   and name HN  ))
      3.100     1.200     1.200 peak  2778 spectrum    1 weight  0.10000E+01 volume  0.40598E-02 ppm1      7.884 ppm2      9.345 CV     1
 ASSI { 2779}
   (( segid "    " and resid 90   and name HN  ))
   (( segid "    " and resid 89   and name HE3 ))
      3.700     3.700     2.300 peak  2779 spectrum    1 weight  0.10000E+01 volume  0.42199E-03 ppm1      7.884 ppm2      7.600 CV     1
 ASSI { 2784}
   (( segid "    " and resid 90   and name HN  ))
   (( segid "    " and resid 90   and name HA1 ))
      2.600     0.900     0.900 peak  2784 spectrum    1 weight  0.10000E+01 volume  0.10508E-01 ppm1      7.886 ppm2      4.327 CV     1
 ASSI { 2786}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 26   and name HA2 ))
      3.000     1.100     1.100 peak  2786 spectrum    1 weight  0.10000E+01 volume  0.19350E-01 ppm1      7.504 ppm2      3.973 CV     1
 ASSI { 2787}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 27   and name HB2 ))
      5.000     3.100     1.000 peak  2787 spectrum    1 weight  0.10000E+01 volume  0.22063E-02 ppm1      7.503 ppm2      2.587 CV     1
 ASSI { 2791}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 24   and name HN  ))
      5.000     3.100     1.000 peak  2791 spectrum    1 weight  0.10000E+01 volume  0.91686E-03 ppm1      7.504 ppm2      7.925 CV     1
 ASSI { 2795}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 28   and name HN  ))
      4.600     2.600     1.400 peak  2795 spectrum    1 weight  0.10000E+01 volume  0.25383E-02 ppm1      7.503 ppm2      7.157 CV     1
 ASSI { 2798}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 26   and name HA1 ))
      2.100     0.600     0.600 peak  2798 spectrum    1 weight  0.10000E+01 volume  0.46716E-01 ppm1      7.503 ppm2      3.886 CV     1
 ASSI { 2799}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 25   and name HB1 ))
      3.400     1.500     1.500 peak  2799 spectrum    1 weight  0.10000E+01 volume  0.83070E-02 ppm1      7.502 ppm2      2.123 CV     1
 ASSI { 2801}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 23   and name HD1 ))
      4.500     2.500     1.500 peak  2801 spectrum    1 weight  0.10000E+01 volume  0.14563E-03 ppm1      7.503 ppm2      1.738 CV     1
 ASSI { 2803}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 25   and name HB2 ))
      2.900     1.100     1.100 peak  2803 spectrum    1 weight  0.10000E+01 volume  0.61496E-02 ppm1      7.503 ppm2      1.187 CV     1
 ASSI { 2804}
   (( segid "    " and resid 26   and name HN  ))
   (  segid "    " and resid 25   and name HD2%)
      3.500     1.500     1.500 peak  2804 spectrum    1 weight  0.10000E+01 volume  0.21575E-01 ppm1      7.502 ppm2      0.870 CV     1
 OR { 2804}
   (( segid "    " and resid 26   and name HN  ))
   (  segid "    " and resid 25   and name HD1%)
 ASSI { 2808}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 14   and name HB1 ))
      4.400     2.400     1.600 peak  2808 spectrum    1 weight  0.10000E+01 volume  0.26607E-02 ppm1      8.173 ppm2      1.875 CV     1
 ASSI { 2809}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 26   and name HN  ))
      2.500     0.800     0.800 peak  2809 spectrum    1 weight  0.10000E+01 volume  0.12807E-01 ppm1      9.347 ppm2      7.491 CV     1
 ASSI { 2814}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 14   and name HA  ))
      3.400     1.400     1.400 peak  2814 spectrum    1 weight  0.10000E+01 volume  0.11076E-01 ppm1      8.557 ppm2      4.329 CV     1
 ASSI { 2815}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 82   and name HA  ))
      3.200     1.300     1.300 peak  2815 spectrum    1 weight  0.10000E+01 volume  0.54755E-02 ppm1      8.211 ppm2      4.378 CV     1
 ASSI { 2816}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 40   and name HB2 ))
      3.200     1.300     1.300 peak  2816 spectrum    1 weight  0.10000E+01 volume  0.33863E-02 ppm1      9.403 ppm2      2.712 CV     1
 ASSI { 2817}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 55   and name HB1 ))
      3.300     1.300     1.300 peak  2817 spectrum    1 weight  0.10000E+01 volume  0.51485E-02 ppm1      9.399 ppm2      3.348 CV     1
 ASSI {    1}
   (( segid "    " and resid 37   and name HB1 ))
   (( segid "    " and resid 37   and name HA  ))
      6.000     4.500     0.000 peak     1 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.143 ppm2      4.260 CV     1
 ASSI {    2}
   (( segid "    " and resid 37   and name HB1 ))
   (( segid "    " and resid 37   and name HN  ))
      6.000     4.500     0.000 peak     2 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.132 ppm2      9.142 CV     1
 ASSI {    3}
   (( segid "    " and resid 37   and name HB1 ))
   (  segid "    " and resid 40   and name HD% )
      6.000     4.500     0.000 peak     3 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.134 ppm2      7.043 CV     1
 ASSI {    4}
   (( segid "    " and resid 37   and name HB1 ))
   (( segid "    " and resid 37   and name HB2 ))
      6.000     4.500     0.000 peak     4 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.135 ppm2      4.080 CV     1
 ASSI {    7}
   (( segid "    " and resid 37   and name HB1 ))
   (  segid "    " and resid 131  and name HG2%)
      6.000     4.500     0.000 peak     7 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.122 ppm2      0.858 CV     1
 ASSI {   17}
   (( segid "    " and resid 112  and name HA  ))
   (( segid "    " and resid 107  and name HA  ))
      6.000     4.500     0.000 peak    17 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.254 ppm2      5.523 CV     1
 ASSI {   19}
   (( segid "    " and resid 112  and name HA  ))
   (( segid "    " and resid 112  and name HB  ))
      6.000     4.500     0.000 peak    19 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.249 ppm2      4.370 CV     1
 ASSI {   20}
   (( segid "    " and resid 112  and name HA  ))
   (( segid "    " and resid 113  and name HB  ))
      6.000     4.500     0.000 peak    20 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.249 ppm2      1.881 CV     1
 ASSI {   21}
   (( segid "    " and resid 112  and name HA  ))
   (  segid "    " and resid 112  and name HG2%)
      6.000     4.500     0.000 peak    21 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.248 ppm2      1.460 CV     1
 ASSI {   25}
   (( segid "    " and resid 114  and name HA  ))
   (( segid "    " and resid 114  and name HG2 ))
      6.000     4.500     0.000 peak    25 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.471 ppm2      2.465 CV     1
 ASSI {   26}
   (( segid "    " and resid 114  and name HA  ))
   (( segid "    " and resid 114  and name HG1 ))
      6.000     4.500     0.000 peak    26 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.466 ppm2      2.000 CV     1
 ASSI {   29}
   (( segid "    " and resid 114  and name HA  ))
   (( segid "    " and resid 114  and name HD2 ))
      6.000     4.500     0.000 peak    29 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.469 ppm2      3.676 CV     1
 ASSI {   30}
   (( segid "    " and resid 114  and name HA  ))
   (( segid "    " and resid 114  and name HB2 ))
      6.000     4.500     0.000 peak    30 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.471 ppm2      2.879 CV     1
 ASSI {   31}
   (( segid "    " and resid 114  and name HA  ))
   (( segid "    " and resid 114  and name HB1 ))
      6.000     4.500     0.000 peak    31 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.469 ppm2      2.102 CV     1
 ASSI {   32}
   (( segid "    " and resid 114  and name HA  ))
   (  segid "    " and resid 113  and name HG1%)
      6.000     4.500     0.000 peak    32 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.472 ppm2      1.178 CV     1
 ASSI {   33}
   (( segid "    " and resid 114  and name HA  ))
   (  segid "    " and resid 113  and name HG2%)
      6.000     4.500     0.000 peak    33 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.472 ppm2      0.884 CV     1
 ASSI {   34}
   (( segid "    " and resid 114  and name HA  ))
   (( segid "    " and resid 113  and name HA  ))
      6.000     4.500     0.000 peak    34 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.467 ppm2      4.326 CV     1
 ASSI {   40}
   (( segid "    " and resid 62   and name HA  ))
   (( segid "    " and resid 31   and name HA  ))
      6.000     4.500     0.000 peak    40 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.529 ppm2      5.918 CV     1
 ASSI {   42}
   (( segid "    " and resid 62   and name HA  ))
   (( segid "    " and resid 62   and name HB  ))
      6.000     4.500     0.000 peak    42 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.530 ppm2      3.834 CV     1
 ASSI {   43}
   (( segid "    " and resid 62   and name HA  ))
   (( segid "    " and resid 31   and name HB1 ))
      6.000     4.500     0.000 peak    43 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.527 ppm2      3.616 CV     1
 OR {   43}
   (( segid "    " and resid 62   and name HA  ))
   (( segid "    " and resid 31   and name HB2 ))
 ASSI {   44}
   (( segid "    " and resid 62   and name HA  ))
   (( segid "    " and resid 64   and name HB1 ))
      6.000     4.500     0.000 peak    44 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.527 ppm2      1.504 CV     1
 ASSI {   45}
   (( segid "    " and resid 62   and name HA  ))
   (( segid "    " and resid 60   and name HG  ))
      6.000     4.500     0.000 peak    45 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.530 ppm2      1.293 CV     1
 ASSI {   46}
   (( segid "    " and resid 62   and name HA  ))
   (  segid "    " and resid 62   and name HG2%)
      6.000     4.500     0.000 peak    46 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.529 ppm2      1.109 CV     1
 ASSI {   47}
   (( segid "    " and resid 62   and name HA  ))
   (  segid "    " and resid 60   and name HD1%)
      6.000     4.500     0.000 peak    47 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.528 ppm2      0.747 CV     1
 ASSI {   51}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 44   and name HD2 ))
      6.000     4.500     0.000 peak    51 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.112 ppm2      4.112 CV     1
 ASSI {   52}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 43   and name HB2 ))
      6.000     4.500     0.000 peak    52 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.114 ppm2      2.443 CV     1
 ASSI {   53}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 50   and name HB1 ))
      6.000     4.500     0.000 peak    53 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.116 ppm2      1.999 CV     1
 OR {   53}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 50   and name HB2 ))
 ASSI {   58}
   (( segid "    " and resid 58   and name HA  ))
   (  segid "    " and resid 58   and name HG1%)
      6.000     4.500     0.000 peak    58 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.026 ppm2      1.002 CV     1
 OR {   58}
   (( segid "    " and resid 58   and name HA  ))
   (  segid "    " and resid 58   and name HG2%)
 ASSI {   60}
   (( segid "    " and resid 58   and name HA  ))
   (( segid "    " and resid 58   and name HB  ))
      6.000     4.500     0.000 peak    60 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.035 ppm2      1.999 CV     1
 ASSI {   61}
   (( segid "    " and resid 58   and name HA  ))
   (  segid "    " and resid 131  and name HG2%)
      6.000     4.500     0.000 peak    61 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.029 ppm2      0.852 CV     1
 ASSI {   63}
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 40   and name HB2 ))
      6.000     4.500     0.000 peak    63 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.262 ppm2      2.716 CV     1
 ASSI {   64}
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 40   and name HN  ))
      6.000     4.500     0.000 peak    64 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.265 ppm2      9.114 CV     1
 ASSI {   66}
   (( segid "    " and resid 40   and name HA  ))
   (  segid "    " and resid 40   and name HD% )
      6.000     4.500     0.000 peak    66 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.262 ppm2      7.046 CV     1
 ASSI {   67}
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 157  and name HA  ))
      6.000     4.500     0.000 peak    67 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.266 ppm2      4.484 CV     1
 ASSI {   71}
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 40   and name HB1 ))
      6.000     4.500     0.000 peak    71 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.254 ppm2      3.054 CV     1
 ASSI {   76}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 66   and name HD1 ))
      6.000     4.500     0.000 peak    76 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.019 ppm2      3.446 CV     1
 ASSI {   78}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 63   and name HB1 ))
      6.000     4.500     0.000 peak    78 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.005 ppm2      4.064 CV     1
 OR {   78}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 63   and name HB2 ))
 ASSI {   87}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 62   and name HB  ))
      6.000     4.500     0.000 peak    87 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.959 ppm2      3.838 CV     1
 ASSI {   88}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 31   and name HB1 ))
      6.000     4.500     0.000 peak    88 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.956 ppm2      3.609 CV     1
 OR {   88}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 31   and name HB2 ))
 ASSI {   90}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 60   and name HG  ))
      6.000     4.500     0.000 peak    90 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.955 ppm2      1.298 CV     1
 ASSI {   91}
   (( segid "    " and resid 31   and name HA  ))
   (  segid "    " and resid 62   and name HG2%)
      6.000     4.500     0.000 peak    91 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.958 ppm2      1.113 CV     1
 ASSI {   97}
   (( segid "    " and resid 4    and name HA  ))
   (( segid "    " and resid 58   and name HN  ))
      6.000     4.500     0.000 peak    97 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.578 ppm2      9.099 CV     1
 ASSI {   98}
   (( segid "    " and resid 4    and name HA  ))
   (  segid "    " and resid 4    and name HD% )
      6.000     4.500     0.000 peak    98 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.574 ppm2      6.837 CV     1
 ASSI {  101}
   (( segid "    " and resid 4    and name HA  ))
   (( segid "    " and resid 5    and name HG11))
      6.000     4.500     0.000 peak   101 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.577 ppm2      1.604 CV     1
 OR {  101}
   (( segid "    " and resid 4    and name HA  ))
   (( segid "    " and resid 5    and name HG12))
 ASSI {  104}
   (( segid "    " and resid 4    and name HA  ))
   (( segid "    " and resid 128  and name HG  ))
      6.000     4.500     0.000 peak   104 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.580 ppm2      0.308 CV     1
 ASSI {  105}
   (( segid "    " and resid 4    and name HA  ))
   (  segid "    " and resid 2    and name HG1%)
      6.000     4.500     0.000 peak   105 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.575 ppm2      0.125 CV     1
 ASSI {  106}
   (( segid "    " and resid 4    and name HA  ))
   (( segid "    " and resid 4    and name HB1 ))
      6.000     4.500     0.000 peak   106 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.570 ppm2      2.728 CV     1
 ASSI {  107}
   (( segid "    " and resid 4    and name HA  ))
   (( segid "    " and resid 128  and name HB2 ))
      6.000     4.500     0.000 peak   107 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.570 ppm2      2.052 CV     1
 ASSI {  109}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 43   and name HG1 ))
      6.000     4.500     0.000 peak   109 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.169 ppm2      2.188 CV     1
 OR {  109}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 43   and name HG2 ))
 ASSI {  111}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 42   and name HB  ))
      6.000     4.500     0.000 peak   111 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.165 ppm2      4.385 CV     1
 ASSI {  112}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 43   and name HD1 ))
      6.000     4.500     0.000 peak   112 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.164 ppm2      3.834 CV     1
 OR {  112}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 43   and name HD2 ))
 ASSI {  113}
   (( segid "    " and resid 42   and name HA  ))
   (  segid "    " and resid 42   and name HG2%)
      6.000     4.500     0.000 peak   113 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.164 ppm2      1.445 CV     1
 ASSI {  114}
   (( segid "    " and resid 54   and name HA  ))
   (( segid "    " and resid 158  and name HE3 ))
      6.000     4.500     0.000 peak   114 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.495 ppm2      7.425 CV     1
 ASSI {  116}
   (( segid "    " and resid 54   and name HA  ))
   (( segid "    " and resid 41   and name HA  ))
      6.000     4.500     0.000 peak   116 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.496 ppm2      6.090 CV     1
 ASSI {  120}
   (( segid "    " and resid 54   and name HA  ))
   (( segid "    " and resid 54   and name HB1 ))
      6.000     4.500     0.000 peak   120 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.487 ppm2      0.968 CV     1
 ASSI {  121}
   (( segid "    " and resid 54   and name HA  ))
   (( segid "    " and resid 54   and name HB2 ))
      6.000     4.500     0.000 peak   121 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.487 ppm2      0.369 CV     1
 ASSI {  122}
   (( segid "    " and resid 54   and name HA  ))
   (( segid "    " and resid 54   and name HG  ))
      6.000     4.500     0.000 peak   122 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.484 ppm2      0.233 CV     1
 ASSI {  123}
   (( segid "    " and resid 54   and name HA  ))
   (  segid "    " and resid 54   and name HD1%)
      6.000     4.500     0.000 peak   123 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.488 ppm2     -0.630 CV     1
 OR {  123}
   (( segid "    " and resid 54   and name HA  ))
   (  segid "    " and resid 54   and name HD2%)
 ASSI {  125}
   (( segid "    " and resid 41   and name HA  ))
   (( segid "    " and resid 158  and name HE3 ))
      6.000     4.500     0.000 peak   125 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.095 ppm2      7.408 CV     1
 ASSI {  129}
   (( segid "    " and resid 41   and name HA  ))
   (( segid "    " and resid 158  and name HA  ))
      6.000     4.500     0.000 peak   129 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.104 ppm2      3.979 CV     1
 ASSI {  130}
   (( segid "    " and resid 41   and name HA  ))
   (( segid "    " and resid 41   and name HD1 ))
      6.000     4.500     0.000 peak   130 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.099 ppm2      3.181 CV     1
 ASSI {  131}
   (( segid "    " and resid 41   and name HA  ))
   (( segid "    " and resid 158  and name HB1 ))
      6.000     4.500     0.000 peak   131 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.097 ppm2      2.809 CV     1
 ASSI {  132}
   (( segid "    " and resid 41   and name HA  ))
   (( segid "    " and resid 41   and name HB2 ))
      6.000     4.500     0.000 peak   132 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.096 ppm2      1.747 CV     1
 OR {  132}
   (( segid "    " and resid 41   and name HA  ))
   (( segid "    " and resid 41   and name HB1 ))
 ASSI {  133}
   (( segid "    " and resid 41   and name HA  ))
   (( segid "    " and resid 41   and name HG2 ))
      6.000     4.500     0.000 peak   133 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.098 ppm2      1.611 CV     1
 ASSI {  134}
   (( segid "    " and resid 41   and name HA  ))
   (( segid "    " and resid 41   and name HG1 ))
      6.000     4.500     0.000 peak   134 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.099 ppm2      1.294 CV     1
 ASSI {  139}
   (( segid "    " and resid 39   and name HA  ))
   (  segid "    " and resid 39   and name HD% )
      6.000     4.500     0.000 peak   139 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.253 ppm2      6.949 CV     1
 ASSI {  140}
   (( segid "    " and resid 39   and name HA  ))
   (( segid "    " and resid 39   and name HB2 ))
      6.000     4.500     0.000 peak   140 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.249 ppm2      3.361 CV     1
 ASSI {  148}
   (( segid "    " and resid 55   and name HA  ))
   (( segid "    " and resid 8    and name HA1 ))
      6.000     4.500     0.000 peak   148 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.224 ppm2      5.752 CV     1
 ASSI {  149}
   (( segid "    " and resid 55   and name HA  ))
   (( segid "    " and resid 8    and name HA2 ))
      6.000     4.500     0.000 peak   149 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.226 ppm2      4.160 CV     1
 ASSI {  150}
   (( segid "    " and resid 55   and name HA  ))
   (( segid "    " and resid 55   and name HB1 ))
      6.000     4.500     0.000 peak   150 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.227 ppm2      3.367 CV     1
 ASSI {  151}
   (( segid "    " and resid 55   and name HA  ))
   (( segid "    " and resid 55   and name HB2 ))
      6.000     4.500     0.000 peak   151 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.230 ppm2      2.230 CV     1
 ASSI {  152}
   (( segid "    " and resid 55   and name HA  ))
   (  segid "    " and resid 56   and name HB% )
      6.000     4.500     0.000 peak   152 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.227 ppm2      1.432 CV     1
 ASSI {  153}
   (( segid "    " and resid 55   and name HA  ))
   (( segid "    " and resid 54   and name HG  ))
      6.000     4.500     0.000 peak   153 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.228 ppm2      0.234 CV     1
 ASSI {  160}
   (( segid "    " and resid 107  and name HA  ))
   (( segid "    " and resid 106  and name HA  ))
      6.000     4.500     0.000 peak   160 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.530 ppm2      4.326 CV     1
 ASSI {  163}
   (( segid "    " and resid 107  and name HA  ))
   (  segid "    " and resid 108  and name HG2%)
      6.000     4.500     0.000 peak   163 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.522 ppm2      1.224 CV     1
 ASSI {  168}
   (( segid "    " and resid 39   and name HA  ))
   (( segid "    " and resid 54   and name HG  ))
      6.000     4.500     0.000 peak   168 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.249 ppm2      0.247 CV     1
 ASSI {  171}
   (( segid "    " and resid 96   and name HA  ))
   (( segid "    " and resid 96   and name HB1 ))
      6.000     4.500     0.000 peak   171 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.380 ppm2      0.971 CV     1
 ASSI {  172}
   (( segid "    " and resid 96   and name HA  ))
   (( segid "    " and resid 96   and name HB2 ))
      6.000     4.500     0.000 peak   172 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.375 ppm2      2.149 CV     1
 ASSI {  178}
   (( segid "    " and resid 97   and name HA  ))
   (( segid "    " and resid 98   and name HB  ))
      6.000     4.500     0.000 peak   178 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.543 ppm2      2.138 CV     1
 ASSI {  180}
   (( segid "    " and resid 120  and name HA  ))
   (( segid "    " and resid 120  and name HB1 ))
      6.000     4.500     0.000 peak   180 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.021 ppm2      3.009 CV     1
 ASSI {  181}
   (( segid "    " and resid 97   and name HA  ))
   (( segid "    " and resid 97   and name HB2 ))
      6.000     4.500     0.000 peak   181 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.565 ppm2      2.531 CV     1
 ASSI {  185}
   (( segid "    " and resid 97   and name HA  ))
   (( segid "    " and resid 98   and name HG11))
      6.000     4.500     0.000 peak   185 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.551 ppm2      0.977 CV     1
 ASSI {  187}
   (( segid "    " and resid 97   and name HA  ))
   (( segid "    " and resid 97   and name HB1 ))
      6.000     4.500     0.000 peak   187 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.543 ppm2      2.362 CV     1
 ASSI {  188}
   (( segid "    " and resid 103  and name HA  ))
   (( segid "    " and resid 138  and name HB2 ))
      6.000     4.500     0.000 peak   188 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.185 ppm2      1.821 CV     1
 ASSI {  192}
   (( segid "    " and resid 103  and name HA  ))
   (( segid "    " and resid 103  and name HN  ))
      6.000     4.500     0.000 peak   192 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.189 ppm2      9.260 CV     1
 ASSI {  195}
   (( segid "    " and resid 103  and name HA  ))
   (( segid "    " and resid 138  and name HD1 ))
      6.000     4.500     0.000 peak   195 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.189 ppm2      4.028 CV     1
 OR {  195}
   (( segid "    " and resid 103  and name HA  ))
   (( segid "    " and resid 138  and name HD2 ))
 ASSI {  196}
   (( segid "    " and resid 103  and name HA  ))
   (( segid "    " and resid 103  and name HB2 ))
      6.000     4.500     0.000 peak   196 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.187 ppm2      2.674 CV     1
 ASSI {  198}
   (( segid "    " and resid 103  and name HA  ))
   (( segid "    " and resid 138  and name HG1 ))
      6.000     4.500     0.000 peak   198 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.190 ppm2      1.994 CV     1
 OR {  198}
   (( segid "    " and resid 103  and name HA  ))
   (( segid "    " and resid 138  and name HG2 ))
 ASSI {  199}
   (( segid "    " and resid 103  and name HA  ))
   (( segid "    " and resid 103  and name HB1 ))
      6.000     4.500     0.000 peak   199 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.180 ppm2      3.006 CV     1
 ASSI {  200}
   (( segid "    " and resid 103  and name HA  ))
   (  segid "    " and resid 105  and name HG2%)
      6.000     4.500     0.000 peak   200 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.177 ppm2      1.041 CV     1
 OR {  200}
   (( segid "    " and resid 103  and name HA  ))
   (  segid "    " and resid 105  and name HG1%)
 ASSI {  202}
   (( segid "    " and resid 117  and name HA  ))
   (( segid "    " and resid 117  and name HB1 ))
      6.000     4.500     0.000 peak   202 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.085 ppm2      1.532 CV     1
 ASSI {  203}
   (( segid "    " and resid 117  and name HA  ))
   (( segid "    " and resid 117  and name HB2 ))
      6.000     4.500     0.000 peak   203 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.086 ppm2      0.877 CV     1
 ASSI {  205}
   (( segid "    " and resid 6    and name HA  ))
   (( segid "    " and resid 57   and name HA  ))
      6.000     4.500     0.000 peak   205 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.053 ppm2      5.658 CV     1
 ASSI {  207}
   (( segid "    " and resid 6    and name HA  ))
   (  segid "    " and resid 6    and name HB% )
      6.000     4.500     0.000 peak   207 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.046 ppm2      1.781 CV     1
 ASSI {  208}
   (( segid "    " and resid 6    and name HA  ))
   (  segid "    " and resid 57   and name HB% )
      6.000     4.500     0.000 peak   208 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.038 ppm2      1.377 CV     1
 ASSI {  213}
   (( segid "    " and resid 57   and name HA  ))
   (( segid "    " and resid 58   and name HB  ))
      6.000     4.500     0.000 peak   213 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.679 ppm2      1.991 CV     1
 ASSI {  215}
   (( segid "    " and resid 57   and name HA  ))
   (  segid "    " and resid 57   and name HB% )
      6.000     4.500     0.000 peak   215 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.679 ppm2      1.364 CV     1
 ASSI {  216}
   (( segid "    " and resid 57   and name HA  ))
   (  segid "    " and resid 58   and name HG1%)
      6.000     4.500     0.000 peak   216 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.682 ppm2      1.003 CV     1
 OR {  216}
   (( segid "    " and resid 57   and name HA  ))
   (  segid "    " and resid 58   and name HG2%)
 ASSI {  217}
   (( segid "    " and resid 57   and name HA  ))
   (  segid "    " and resid 131  and name HG2%)
      6.000     4.500     0.000 peak   217 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.681 ppm2      0.854 CV     1
 ASSI {  218}
   (( segid "    " and resid 57   and name HA  ))
   (  segid "    " and resid 6    and name HB% )
      6.000     4.500     0.000 peak   218 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.675 ppm2      1.789 CV     1
 ASSI {  222}
   (( segid "    " and resid 8    and name HA1 ))
   (( segid "    " and resid 95   and name HN  ))
      6.000     4.500     0.000 peak   222 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.757 ppm2      9.226 CV     1
 ASSI {  228}
   (( segid "    " and resid 8    and name HA1 ))
   (( segid "    " and resid 8    and name HA2 ))
      6.000     4.500     0.000 peak   228 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.758 ppm2      4.167 CV     1
 ASSI {  246}
   (( segid "    " and resid 35   and name HB  ))
   (( segid "    " and resid 59   and name HN  ))
      6.000     4.500     0.000 peak   246 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.121 ppm2      8.537 CV     1
 ASSI {  250}
   (( segid "    " and resid 149  and name HB  ))
   (( segid "    " and resid 150  and name HN  ))
      6.000     4.500     0.000 peak   250 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.198 ppm2      7.851 CV     1
 ASSI {  252}
   (( segid "    " and resid 1    and name HB  ))
   (( segid "    " and resid 2    and name HN  ))
      6.000     4.500     0.000 peak   252 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.557 ppm2      8.764 CV     1
 ASSI {  260}
   (( segid "    " and resid 93   and name HB  ))
   (( segid "    " and resid 93   and name HN  ))
      6.000     4.500     0.000 peak   260 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.112 ppm2      8.753 CV     1
 ASSI {  266}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 23   and name HN  ))
      6.000     4.500     0.000 peak   266 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.432 ppm2      7.423 CV     1
 ASSI {  280}
   (( segid "    " and resid 66   and name HA  ))
   (  segid "    " and resid 101  and name HD% )
      6.000     4.500     0.000 peak   280 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.354 ppm2      7.034 CV     1
 ASSI {  281}
   (( segid "    " and resid 127  and name HA  ))
   (( segid "    " and resid 126  and name HD1 ))
      6.000     4.500     0.000 peak   281 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.547 ppm2      6.728 CV     1
 ASSI {  282}
   (( segid "    " and resid 138  and name HA  ))
   (( segid "    " and resid 139  and name HN  ))
      6.000     4.500     0.000 peak   282 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.507 ppm2      7.536 CV     1
 ASSI {  283}
   (( segid "    " and resid 37   and name HB2 ))
   (  segid "    " and resid 40   and name HD% )
      6.000     4.500     0.000 peak   283 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.094 ppm2      7.039 CV     1
 ASSI {  288}
   (( segid "    " and resid 9    and name HB1 ))
   (( segid "    " and resid 9    and name HN  ))
      6.000     4.500     0.000 peak   288 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.882 ppm2      7.978 CV     1
 ASSI {  294}
   (( segid "    " and resid 138  and name HA  ))
   (( segid "    " and resid 140  and name HN  ))
      6.000     4.500     0.000 peak   294 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.500 ppm2      8.374 CV     1
 ASSI {  297}
   (( segid "    " and resid 146  and name HA  ))
   (( segid "    " and resid 145  and name HE21))
      6.000     4.500     0.000 peak   297 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.649 ppm2      7.584 CV     1
 ASSI {  300}
   (( segid "    " and resid 146  and name HA  ))
   (( segid "    " and resid 147  and name HN  ))
      6.000     4.500     0.000 peak   300 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.658 ppm2      7.439 CV     1
 ASSI {  306}
   (( segid "    " and resid 149  and name HA  ))
   (( segid "    " and resid 150  and name HN  ))
      6.000     4.500     0.000 peak   306 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.023 ppm2      7.850 CV     1
 ASSI {  312}
   (( segid "    " and resid 63   and name HB2 ))
   (( segid "    " and resid 62   and name HA  ))
      6.000     4.500     0.000 peak   312 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.098 ppm2      5.519 CV     1
 OR {  312}
   (( segid "    " and resid 63   and name HB1 ))
   (( segid "    " and resid 62   and name HA  ))
 ASSI {  320}
   (( segid "    " and resid 93   and name HA  ))
   (( segid "    " and resid 10   and name HN  ))
      6.000     4.500     0.000 peak   320 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.016 ppm2      8.476 CV     1
 ASSI {  322}
   (( segid "    " and resid 93   and name HA  ))
   (( segid "    " and resid 94   and name HN  ))
      6.000     4.500     0.000 peak   322 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.019 ppm2      6.375 CV     1
 ASSI {  327}
   (( segid "    " and resid 44   and name HA  ))
   (( segid "    " and resid 50   and name HE21))
      6.000     4.500     0.000 peak   327 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.215 ppm2      7.107 CV     1
 ASSI {  328}
   (( segid "    " and resid 44   and name HA  ))
   (  segid "    " and resid 53   and name HD% )
      6.000     4.500     0.000 peak   328 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.208 ppm2      6.568 CV     1
 ASSI {  330}
   (( segid "    " and resid 98   and name HA  ))
   (( segid "    " and resid 100  and name HN  ))
      6.000     4.500     0.000 peak   330 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.180 ppm2      7.519 CV     1
 ASSI {  331}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 34   and name HN  ))
      6.000     4.500     0.000 peak   331 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.897 ppm2      9.181 CV     1
 ASSI {  332}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 61   and name HN  ))
      6.000     4.500     0.000 peak   332 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.901 ppm2      8.807 CV     1
 ASSI {  333}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 35   and name HN  ))
      6.000     4.500     0.000 peak   333 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.898 ppm2      7.338 CV     1
 ASSI {  336}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 52   and name HN  ))
      6.000     4.500     0.000 peak   336 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.452 ppm2      8.043 CV     1
 ASSI {  342}
   (( segid "    " and resid 158  and name HA  ))
   (( segid "    " and resid 158  and name HE3 ))
      6.000     4.500     0.000 peak   342 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.970 ppm2      7.401 CV     1
 ASSI {  343}
   (( segid "    " and resid 38   and name HB1 ))
   (( segid "    " and resid 38   and name HN  ))
      6.000     4.500     0.000 peak   343 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.741 ppm2      9.334 CV     1
 ASSI {  346}
   (( segid "    " and resid 38   and name HB2 ))
   (( segid "    " and resid 39   and name HN  ))
      6.000     4.500     0.000 peak   346 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.536 ppm2      8.673 CV     1
 ASSI {  351}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 73   and name HN  ))
      6.000     4.500     0.000 peak   351 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.398 ppm2      9.338 CV     1
 ASSI {  352}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 72   and name HN  ))
      6.000     4.500     0.000 peak   352 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.398 ppm2      7.754 CV     1
 ASSI {  353}
   (( segid "    " and resid 83   and name HA  ))
   (( segid "    " and resid 84   and name HN  ))
      6.000     4.500     0.000 peak   353 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.276 ppm2      8.811 CV     1
 ASSI {  354}
   (( segid "    " and resid 83   and name HA  ))
   (( segid "    " and resid 83   and name HN  ))
      6.000     4.500     0.000 peak   354 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.273 ppm2      8.230 CV     1
 ASSI {  356}
   (( segid "    " and resid 13   and name HB1 ))
   (( segid "    " and resid 13   and name HN  ))
      6.000     4.500     0.000 peak   356 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.156 ppm2      8.710 CV     1
 ASSI {  357}
   (( segid "    " and resid 13   and name HB1 ))
   (( segid "    " and resid 16   and name HN  ))
      6.000     4.500     0.000 peak   357 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.158 ppm2      7.275 CV     1
 ASSI {  372}
   (( segid "    " and resid 116  and name HA  ))
   (  segid "    " and resid 116  and name HD% )
      6.000     4.500     0.000 peak   372 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.198 ppm2      6.657 CV     1
 ASSI {  373}
   (( segid "    " and resid 118  and name HA  ))
   (( segid "    " and resid 119  and name HN  ))
      6.000     4.500     0.000 peak   373 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.868 ppm2      8.103 CV     1
 ASSI {  375}
   (( segid "    " and resid 118  and name HA  ))
   (( segid "    " and resid 118  and name HN  ))
      6.000     4.500     0.000 peak   375 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.868 ppm2      7.558 CV     1
 ASSI {  377}
   (( segid "    " and resid 129  and name HA  ))
   (( segid "    " and resid 129  and name HN  ))
      6.000     4.500     0.000 peak   377 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.859 ppm2      8.669 CV     1
 ASSI {  379}
   (( segid "    " and resid 129  and name HA  ))
   (  segid "    " and resid 129  and name HD% )
      6.000     4.500     0.000 peak   379 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.862 ppm2      7.201 CV     1
 ASSI {  380}
   (( segid "    " and resid 118  and name HA  ))
   (( segid "    " and resid 121  and name HN  ))
      6.000     4.500     0.000 peak   380 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.863 ppm2      7.015 CV     1
 ASSI {  381}
   (( segid "    " and resid 129  and name HA  ))
   (( segid "    " and resid 130  and name HN  ))
      6.000     4.500     0.000 peak   381 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.851 ppm2      7.754 CV     1
 ASSI {  382}
   (( segid "    " and resid 38   and name HA  ))
   (( segid "    " and resid 39   and name HN  ))
      6.000     4.500     0.000 peak   382 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.282 ppm2      8.670 CV     1
 ASSI {  387}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 75   and name HN  ))
      6.000     4.500     0.000 peak   387 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.143 ppm2      7.718 CV     1
 ASSI {  389}
   (( segid "    " and resid 109  and name HA  ))
   (( segid "    " and resid 111  and name HN  ))
      6.000     4.500     0.000 peak   389 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.039 ppm2      7.650 CV     1
 ASSI {  390}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 24   and name HN  ))
      6.000     4.500     0.000 peak   390 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.027 ppm2      7.943 CV     1
 ASSI {  392}
   (( segid "    " and resid 67   and name HA  ))
   (( segid "    " and resid 67   and name HN  ))
      6.000     4.500     0.000 peak   392 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.657 ppm2      8.726 CV     1
 ASSI {  393}
   (( segid "    " and resid 67   and name HA  ))
   (( segid "    " and resid 69   and name HN  ))
      6.000     4.500     0.000 peak   393 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.652 ppm2      8.214 CV     1
 ASSI {  394}
   (( segid "    " and resid 67   and name HA  ))
   (( segid "    " and resid 68   and name HN  ))
      6.000     4.500     0.000 peak   394 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.657 ppm2      6.886 CV     1
 ASSI {  398}
   (( segid "    " and resid 144  and name HA  ))
   (  segid "    " and resid 129  and name HD% )
      6.000     4.500     0.000 peak   398 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.527 ppm2      7.207 CV     1
 ASSI {  402}
   (( segid "    " and resid 37   and name HA  ))
   (( segid "    " and resid 57   and name HN  ))
      6.000     4.500     0.000 peak   402 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.280 ppm2      9.514 CV     1
 ASSI {  411}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 23   and name HN  ))
      6.000     4.500     0.000 peak   411 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.012 ppm2      7.428 CV     1
 ASSI {  420}
   (( segid "    " and resid 130  and name HA  ))
   (( segid "    " and resid 130  and name HN  ))
      6.000     4.500     0.000 peak   420 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.893 ppm2      7.751 CV     1
 ASSI {  421}
   (( segid "    " and resid 130  and name HA  ))
   (( segid "    " and resid 131  and name HN  ))
      6.000     4.500     0.000 peak   421 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.899 ppm2      6.938 CV     1
 ASSI {  422}
   (( segid "    " and resid 130  and name HA  ))
   (  segid "    " and resid 129  and name HD% )
      6.000     4.500     0.000 peak   422 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.888 ppm2      7.200 CV     1
 ASSI {  425}
   (( segid "    " and resid 148  and name HA  ))
   (( segid "    " and resid 148  and name HD2 ))
      6.000     4.500     0.000 peak   425 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.432 ppm2      6.998 CV     1
 ASSI {  426}
   (( segid "    " and resid 137  and name HA  ))
   (  segid "    " and resid 137  and name HD% )
      6.000     4.500     0.000 peak   426 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.313 ppm2      7.334 CV     1
 ASSI {  429}
   (( segid "    " and resid 69   and name HA  ))
   (( segid "    " and resid 72   and name HD2 ))
      6.000     4.500     0.000 peak   429 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.201 ppm2      7.237 CV     1
 ASSI {  431}
   (( segid "    " and resid 123  and name HA  ))
   (( segid "    " and resid 125  and name HN  ))
      6.000     4.500     0.000 peak   431 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.370 ppm2      7.606 CV     1
 ASSI {  438}
   (( segid "    " and resid 78   and name HA  ))
   (( segid "    " and resid 78   and name HN  ))
      6.000     4.500     0.000 peak   438 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.187 ppm2      7.971 CV     1
 ASSI {  441}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 10   and name HN  ))
      6.000     4.500     0.000 peak   441 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.155 ppm2      8.471 CV     1
 ASSI {  442}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 11   and name HN  ))
      6.000     4.500     0.000 peak   442 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.161 ppm2      6.993 CV     1
 ASSI {  444}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 25   and name HN  ))
      6.000     4.500     0.000 peak   444 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.974 ppm2      9.338 CV     1
 ASSI {  448}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 54   and name HN  ))
      6.000     4.500     0.000 peak   448 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.350 ppm2      8.567 CV     1
 ASSI {  449}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 71   and name HD21))
      6.000     4.500     0.000 peak   449 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.350 ppm2      7.449 CV     1
 ASSI {  450}
   (( segid "    " and resid 53   and name HA  ))
   (  segid "    " and resid 53   and name HD% )
      6.000     4.500     0.000 peak   450 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.357 ppm2      6.540 CV     1
 ASSI {  458}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 17   and name HE21))
      6.000     4.500     0.000 peak   458 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.999 ppm2      7.717 CV     1
 ASSI {  461}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 80   and name HE21))
      6.000     4.500     0.000 peak   461 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.994 ppm2      7.892 CV     1
 ASSI {  463}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 18   and name HN  ))
      6.000     4.500     0.000 peak   463 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.427 ppm2      8.727 CV     1
 ASSI {  466}
   (( segid "    " and resid 101  and name HA  ))
   (( segid "    " and resid 102  and name HN  ))
      6.000     4.500     0.000 peak   466 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.561 ppm2      8.410 CV     1
 ASSI {  471}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 16   and name HN  ))
      6.000     4.500     0.000 peak   471 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.990 ppm2      7.265 CV     1
 ASSI {  472}
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 25   and name HN  ))
      6.000     4.500     0.000 peak   472 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.897 ppm2      9.339 CV     1
 ASSI {  473}
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 26   and name HN  ))
      6.000     4.500     0.000 peak   473 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.899 ppm2      7.490 CV     1
 ASSI {  476}
   (( segid "    " and resid 125  and name HA  ))
   (( segid "    " and resid 125  and name HN  ))
      6.000     4.500     0.000 peak   476 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.814 ppm2      7.608 CV     1
 ASSI {  477}
   (( segid "    " and resid 147  and name HA  ))
   (( segid "    " and resid 148  and name HN  ))
      6.000     4.500     0.000 peak   477 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.671 ppm2      7.571 CV     1
 ASSI {  478}
   (( segid "    " and resid 147  and name HA  ))
   (( segid "    " and resid 150  and name HN  ))
      6.000     4.500     0.000 peak   478 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.666 ppm2      7.852 CV     1
 ASSI {  479}
   (( segid "    " and resid 147  and name HA  ))
   (( segid "    " and resid 147  and name HN  ))
      6.000     4.500     0.000 peak   479 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.664 ppm2      7.434 CV     1
 ASSI {  481}
   (( segid "    " and resid 147  and name HA  ))
   (  segid "    " and resid 152  and name HD% )
      6.000     4.500     0.000 peak   481 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.667 ppm2      7.050 CV     1
 ASSI {  483}
   (( segid "    " and resid 141  and name HA  ))
   (( segid "    " and resid 141  and name HN  ))
      6.000     4.500     0.000 peak   483 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.296 ppm2      8.002 CV     1
 ASSI {  502}
   (( segid "    " and resid 157  and name HA  ))
   (  segid "    " and resid 40   and name HD% )
      6.000     4.500     0.000 peak   502 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.498 ppm2      7.052 CV     1
 ASSI {  510}
   (( segid "    " and resid 87   and name HA  ))
   (( segid "    " and resid 87   and name HN  ))
      6.000     4.500     0.000 peak   510 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.195 ppm2      8.360 CV     1
 ASSI {  512}
   (( segid "    " and resid 154  and name HA  ))
   (( segid "    " and resid 126  and name HD1 ))
      6.000     4.500     0.000 peak   512 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.980 ppm2      6.732 CV     1
 ASSI {  516}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 71   and name HD21))
      6.000     4.500     0.000 peak   516 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.331 ppm2      7.449 CV     1
 ASSI {  520}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 48   and name HE22))
      6.000     4.500     0.000 peak   520 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.319 ppm2      7.043 CV     1
 ASSI {  525}
   (( segid "    " and resid 150  and name HA  ))
   (( segid "    " and resid 150  and name HN  ))
      6.000     4.500     0.000 peak   525 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.030 ppm2      7.840 CV     1
 ASSI {  526}
   (( segid "    " and resid 150  and name HA  ))
   (( segid "    " and resid 151  and name HN  ))
      6.000     4.500     0.000 peak   526 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.029 ppm2      7.522 CV     1
 ASSI {  527}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 25   and name HN  ))
      6.000     4.500     0.000 peak   527 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.211 ppm2      9.348 CV     1
 ASSI {  528}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 24   and name HN  ))
      6.000     4.500     0.000 peak   528 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.211 ppm2      7.925 CV     1
 ASSI {  530}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 20   and name HN  ))
      6.000     4.500     0.000 peak   530 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.161 ppm2      8.143 CV     1
 ASSI {  534}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 25   and name HN  ))
      6.000     4.500     0.000 peak   534 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.125 ppm2      9.340 CV     1
 ASSI {  535}
   (( segid "    " and resid 153  and name HA  ))
   (( segid "    " and resid 153  and name HN  ))
      6.000     4.500     0.000 peak   535 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.575 ppm2      8.733 CV     1
 ASSI {  540}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 63   and name HN  ))
      6.000     4.500     0.000 peak   540 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.234 ppm2      8.247 CV     1
 ASSI {  541}
   (( segid "    " and resid 139  and name HA  ))
   (( segid "    " and resid 140  and name HN  ))
      6.000     4.500     0.000 peak   541 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.513 ppm2      8.357 CV     1
 ASSI {  542}
   (( segid "    " and resid 139  and name HA  ))
   (( segid "    " and resid 139  and name HN  ))
      6.000     4.500     0.000 peak   542 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.513 ppm2      7.511 CV     1
 ASSI {  554}
   (( segid "    " and resid 151  and name HA  ))
   (( segid "    " and resid 151  and name HN  ))
      6.000     4.500     0.000 peak   554 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.090 ppm2      7.525 CV     1
 ASSI {  555}
   (( segid "    " and resid 151  and name HA  ))
   (( segid "    " and resid 150  and name HN  ))
      6.000     4.500     0.000 peak   555 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.085 ppm2      7.842 CV     1
 ASSI {  561}
   (( segid "    " and resid 138  and name HD2 ))
   (  segid "    " and resid 137  and name HD% )
      6.000     4.500     0.000 peak   561 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.028 ppm2      7.337 CV     1
 OR {  561}
   (( segid "    " and resid 138  and name HD1 ))
   (  segid "    " and resid 137  and name HD% )
 ASSI {  563}
   (( segid "    " and resid 44   and name HD1 ))
   (  segid "    " and resid 53   and name HD% )
      6.000     4.500     0.000 peak   563 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.857 ppm2      6.521 CV     1
 ASSI {  568}
   (( segid "    " and resid 29   and name HD2 ))
   (( segid "    " and resid 28   and name HN  ))
      6.000     4.500     0.000 peak   568 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.666 ppm2      7.173 CV     1
 ASSI {  575}
   (( segid "    " and resid 127  and name HD2 ))
   (( segid "    " and resid 126  and name HN  ))
      6.000     4.500     0.000 peak   575 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.225 ppm2      8.702 CV     1
 ASSI {  576}
   (( segid "    " and resid 127  and name HD2 ))
   (( segid "    " and resid 128  and name HN  ))
      6.000     4.500     0.000 peak   576 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.227 ppm2      6.572 CV     1
 ASSI {  582}
   (( segid "    " and resid 91   and name HD1 ))
   (( segid "    " and resid 90   and name HN  ))
      6.000     4.500     0.000 peak   582 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.687 ppm2      7.897 CV     1
 ASSI {  587}
   (( segid "    " and resid 133  and name HD1 ))
   (( segid "    " and resid 130  and name HN  ))
      6.000     4.500     0.000 peak   587 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.426 ppm2      7.720 CV     1
 ASSI {  588}
   (( segid "    " and resid 133  and name HD1 ))
   (( segid "    " and resid 135  and name HN  ))
      6.000     4.500     0.000 peak   588 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.429 ppm2      7.238 CV     1
 ASSI {  589}
   (( segid "    " and resid 66   and name HD1 ))
   (( segid "    " and resid 67   and name HN  ))
      6.000     4.500     0.000 peak   589 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.422 ppm2      8.723 CV     1
 ASSI {  590}
   (( segid "    " and resid 100  and name HB1 ))
   (  segid "    " and resid 4    and name HD% )
      6.000     4.500     0.000 peak   590 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.998 ppm2      6.841 CV     1
 ASSI {  591}
   (( segid "    " and resid 100  and name HB2 ))
   (( segid "    " and resid 100  and name HN  ))
      6.000     4.500     0.000 peak   591 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.807 ppm2      7.523 CV     1
 ASSI {  592}
   (( segid "    " and resid 100  and name HB2 ))
   (  segid "    " and resid 4    and name HD% )
      6.000     4.500     0.000 peak   592 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.807 ppm2      6.835 CV     1
 ASSI {  595}
   (( segid "    " and resid 11   and name HB1 ))
   (( segid "    " and resid 11   and name HN  ))
      6.000     4.500     0.000 peak   595 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.254 ppm2      6.988 CV     1
 ASSI {  596}
   (( segid "    " and resid 11   and name HB1 ))
   (( segid "    " and resid 12   and name HN  ))
      6.000     4.500     0.000 peak   596 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.247 ppm2      8.151 CV     1
 ASSI {  599}
   (( segid "    " and resid 122  and name HA2 ))
   (  segid "    " and resid 152  and name HD% )
      6.000     4.500     0.000 peak   599 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.178 ppm2      7.050 CV     1
 ASSI {  600}
   (( segid "    " and resid 122  and name HA2 ))
   (( segid "    " and resid 123  and name HN  ))
      6.000     4.500     0.000 peak   600 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.147 ppm2      6.948 CV     1
 ASSI {  601}
   (( segid "    " and resid 122  and name HA2 ))
   (( segid "    " and resid 126  and name HD1 ))
      6.000     4.500     0.000 peak   601 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.151 ppm2      6.712 CV     1
 ASSI {  602}
   (( segid "    " and resid 102  and name HA1 ))
   (( segid "    " and resid 103  and name HN  ))
      6.000     4.500     0.000 peak   602 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.889 ppm2      9.257 CV     1
 OR {  602}
   (( segid "    " and resid 102  and name HA2 ))
   (( segid "    " and resid 103  and name HN  ))
 ASSI {  604}
   (( segid "    " and resid 102  and name HA2 ))
   (( segid "    " and resid 102  and name HN  ))
      6.000     4.500     0.000 peak   604 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.886 ppm2      8.411 CV     1
 OR {  604}
   (( segid "    " and resid 102  and name HA1 ))
   (( segid "    " and resid 102  and name HN  ))
 ASSI {  605}
   (( segid "    " and resid 122  and name HA1 ))
   (( segid "    " and resid 123  and name HN  ))
      6.000     4.500     0.000 peak   605 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.880 ppm2      6.954 CV     1
 ASSI {  606}
   (( segid "    " and resid 122  and name HA1 ))
   (( segid "    " and resid 126  and name HD1 ))
      6.000     4.500     0.000 peak   606 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.886 ppm2      6.731 CV     1
 ASSI {  607}
   (( segid "    " and resid 122  and name HA1 ))
   (( segid "    " and resid 122  and name HN  ))
      6.000     4.500     0.000 peak   607 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.874 ppm2      9.425 CV     1
 ASSI {  608}
   (( segid "    " and resid 122  and name HA1 ))
   (( segid "    " and resid 126  and name HN  ))
      6.000     4.500     0.000 peak   608 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.876 ppm2      8.714 CV     1
 ASSI {  609}
   (( segid "    " and resid 122  and name HA1 ))
   (  segid "    " and resid 152  and name HD% )
      6.000     4.500     0.000 peak   609 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.869 ppm2      7.046 CV     1
 ASSI {  612}
   (( segid "    " and resid 60   and name HB2 ))
   (( segid "    " and resid 60   and name HN  ))
      6.000     4.500     0.000 peak   612 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.032 ppm2      9.319 CV     1
 ASSI {  617}
   (( segid "    " and resid 55   and name HB2 ))
   (( segid "    " and resid 55   and name HD22))
      6.000     4.500     0.000 peak   617 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.240 ppm2      8.013 CV     1
 ASSI {  618}
   (( segid "    " and resid 26   and name HA2 ))
   (( segid "    " and resid 27   and name HN  ))
      6.000     4.500     0.000 peak   618 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.986 ppm2      7.337 CV     1
 ASSI {  624}
   (( segid "    " and resid 26   and name HA1 ))
   (( segid "    " and resid 28   and name HN  ))
      6.000     4.500     0.000 peak   624 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.874 ppm2      7.174 CV     1
 ASSI {  626}
   (( segid "    " and resid 55   and name HB1 ))
   (( segid "    " and resid 55   and name HD22))
      6.000     4.500     0.000 peak   626 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.360 ppm2      8.015 CV     1
 ASSI {  636}
   (( segid "    " and resid 94   and name HB1 ))
   (( segid "    " and resid 94   and name HN  ))
      6.000     4.500     0.000 peak   636 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.528 ppm2      6.371 CV     1
 OR {  636}
   (( segid "    " and resid 94   and name HB2 ))
   (( segid "    " and resid 94   and name HN  ))
 ASSI {  638}
   (( segid "    " and resid 140  and name HA1 ))
   (( segid "    " and resid 141  and name HN  ))
      6.000     4.500     0.000 peak   638 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.408 ppm2      8.001 CV     1
 ASSI {  639}
   (( segid "    " and resid 8    and name HA2 ))
   (( segid "    " and resid 95   and name HN  ))
      6.000     4.500     0.000 peak   639 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.171 ppm2      9.226 CV     1
 ASSI {  643}
   (( segid "    " and resid 8    and name HA2 ))
   (( segid "    " and resid 9    and name HN  ))
      6.000     4.500     0.000 peak   643 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.164 ppm2      7.999 CV     1
 ASSI {  645}
   (( segid "    " and resid 140  and name HA2 ))
   (( segid "    " and resid 141  and name HN  ))
      6.000     4.500     0.000 peak   645 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.533 ppm2      7.995 CV     1
 ASSI {  647}
   (( segid "    " and resid 95   and name HB2 ))
   (( segid "    " and resid 95   and name HN  ))
      6.000     4.500     0.000 peak   647 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.263 ppm2      9.211 CV     1
 ASSI {  652}
   (( segid "    " and resid 90   and name HA2 ))
   (( segid "    " and resid 50   and name HE21))
      6.000     4.500     0.000 peak   652 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.936 ppm2      7.106 CV     1
 ASSI {  659}
   (( segid "    " and resid 117  and name HB1 ))
   (( segid "    " and resid 117  and name HN  ))
      6.000     4.500     0.000 peak   659 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.525 ppm2      8.021 CV     1
 ASSI {  665}
   (( segid "    " and resid 117  and name HB2 ))
   (  segid "    " and resid 116  and name HD% )
      6.000     4.500     0.000 peak   665 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.886 ppm2      6.659 CV     1
 ASSI {  668}
   (( segid "    " and resid 46   and name HA2 ))
   (( segid "    " and resid 89   and name HE3 ))
      6.000     4.500     0.000 peak   668 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.676 ppm2      7.608 CV     1
 ASSI {  669}
   (( segid "    " and resid 144  and name HD2 ))
   (( segid "    " and resid 147  and name HN  ))
      6.000     4.500     0.000 peak   669 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.389 ppm2      7.470 CV     1
 ASSI {  670}
   (( segid "    " and resid 144  and name HD1 ))
   (( segid "    " and resid 147  and name HN  ))
      6.000     4.500     0.000 peak   670 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.274 ppm2      7.462 CV     1
 ASSI {  672}
   (( segid "    " and resid 34   and name HB1 ))
   (( segid "    " and resid 34   and name HN  ))
      6.000     4.500     0.000 peak   672 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.674 ppm2      9.182 CV     1
 ASSI {  673}
   (( segid "    " and resid 34   and name HB2 ))
   (( segid "    " and resid 34   and name HN  ))
      6.000     4.500     0.000 peak   673 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.552 ppm2      9.185 CV     1
 ASSI {  677}
   (( segid "    " and resid 155  and name HB2 ))
   (( segid "    " and resid 155  and name HN  ))
      6.000     4.500     0.000 peak   677 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.443 ppm2      7.700 CV     1
 OR {  677}
   (( segid "    " and resid 155  and name HB1 ))
   (( segid "    " and resid 155  and name HN  ))
 ASSI {  682}
   (( segid "    " and resid 125  and name HB2 ))
   (( segid "    " and resid 125  and name HN  ))
      6.000     4.500     0.000 peak   682 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.067 ppm2      7.630 CV     1
 ASSI {  683}
   (( segid "    " and resid 41   and name HD1 ))
   (( segid "    " and resid 41   and name HN  ))
      6.000     4.500     0.000 peak   683 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.193 ppm2      8.848 CV     1
 ASSI {  684}
   (( segid "    " and resid 75   and name HD2 ))
   (( segid "    " and resid 75   and name HN  ))
      6.000     4.500     0.000 peak   684 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.194 ppm2      7.704 CV     1
 ASSI {  689}
   (( segid "    " and resid 41   and name HD2 ))
   (( segid "    " and resid 41   and name HA  ))
      6.000     4.500     0.000 peak   689 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.840 ppm2      6.088 CV     1
 ASSI {  691}
   (( segid "    " and resid 64   and name HB1 ))
   (( segid "    " and resid 65   and name HN  ))
      6.000     4.500     0.000 peak   691 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.497 ppm2      8.386 CV     1
 ASSI {  696}
   (( segid "    " and resid 41   and name HD1 ))
   (( segid "    " and resid 156  and name HD21))
      6.000     4.500     0.000 peak   696 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.179 ppm2      7.116 CV     1
 ASSI {  702}
   (( segid "    " and resid 25   and name HB2 ))
   (( segid "    " and resid 25   and name HN  ))
      6.000     4.500     0.000 peak   702 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.201 ppm2      9.335 CV     1
 ASSI {  712}
   (( segid "    " and resid 150  and name HD2 ))
   (( segid "    " and resid 150  and name HN  ))
      6.000     4.500     0.000 peak   712 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.115 ppm2      7.852 CV     1
 ASSI {  714}
   (( segid "    " and resid 150  and name HD2 ))
   (( segid "    " and resid 121  and name HN  ))
      6.000     4.500     0.000 peak   714 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.117 ppm2      6.985 CV     1
 ASSI {  719}
   (( segid "    " and resid 143  and name HB2 ))
   (( segid "    " and resid 144  and name HN  ))
      6.000     4.500     0.000 peak   719 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.213 ppm2      9.599 CV     1
 ASSI {  720}
   (( segid "    " and resid 128  and name HB2 ))
   (( segid "    " and resid 128  and name HN  ))
      6.000     4.500     0.000 peak   720 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.039 ppm2      6.569 CV     1
 ASSI {  723}
   (( segid "    " and resid 45   and name HB2 ))
   (( segid "    " and resid 50   and name HE21))
      6.000     4.500     0.000 peak   723 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.613 ppm2      7.109 CV     1
 OR {  723}
   (( segid "    " and resid 45   and name HB1 ))
   (( segid "    " and resid 50   and name HE21))
 ASSI {  729}
   (( segid "    " and resid 128  and name HB1 ))
   (( segid "    " and resid 129  and name HN  ))
      6.000     4.500     0.000 peak   729 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.231 ppm2      8.690 CV     1
 ASSI {  732}
   (( segid "    " and resid 27   and name HB1 ))
   (( segid "    " and resid 26   and name HN  ))
      6.000     4.500     0.000 peak   732 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.941 ppm2      7.500 CV     1
 ASSI {  737}
   (( segid "    " and resid 154  and name HE2 ))
   (( segid "    " and resid 121  and name HN  ))
      6.000     4.500     0.000 peak   737 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.854 ppm2      7.017 CV     1
 OR {  737}
   (( segid "    " and resid 154  and name HE1 ))
   (( segid "    " and resid 121  and name HN  ))
 ASSI {  744}
   (( segid "    " and resid 78   and name HB1 ))
   (( segid "    " and resid 79   and name HN  ))
      6.000     4.500     0.000 peak   744 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.959 ppm2      8.793 CV     1
 ASSI {  745}
   (( segid "    " and resid 78   and name HB1 ))
   (( segid "    " and resid 78   and name HN  ))
      6.000     4.500     0.000 peak   745 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.957 ppm2      7.993 CV     1
 ASSI {  746}
   (( segid "    " and resid 78   and name HB2 ))
   (( segid "    " and resid 79   and name HN  ))
      6.000     4.500     0.000 peak   746 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.794 ppm2      8.796 CV     1
 ASSI {  747}
   (( segid "    " and resid 78   and name HB2 ))
   (( segid "    " and resid 78   and name HN  ))
      6.000     4.500     0.000 peak   747 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.788 ppm2      7.990 CV     1
 ASSI {  751}
   (( segid "    " and resid 22   and name HB2 ))
   (( segid "    " and resid 23   and name HN  ))
      6.000     4.500     0.000 peak   751 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.072 ppm2      7.425 CV     1
 ASSI {  753}
   (( segid "    " and resid 5    and name HB  ))
   (( segid "    " and resid 4    and name HA  ))
      6.000     4.500     0.000 peak   753 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.783 ppm2      5.564 CV     1
 ASSI {  756}
   (( segid "    " and resid 22   and name HB1 ))
   (( segid "    " and resid 22   and name HN  ))
      6.000     4.500     0.000 peak   756 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.467 ppm2      8.515 CV     1
 ASSI {  757}
   (( segid "    " and resid 22   and name HB1 ))
   (( segid "    " and resid 23   and name HN  ))
      6.000     4.500     0.000 peak   757 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.465 ppm2      7.427 CV     1
 ASSI {  763}
   (( segid "    " and resid 101  and name HB2 ))
   (  segid "    " and resid 101  and name HD% )
      6.000     4.500     0.000 peak   763 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.334 ppm2      7.038 CV     1
 ASSI {  764}
   (( segid "    " and resid 40   and name HB1 ))
   (  segid "    " and resid 40   and name HD% )
      6.000     4.500     0.000 peak   764 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.060 ppm2      7.051 CV     1
 ASSI {  765}
   (( segid "    " and resid 40   and name HB1 ))
   (( segid "    " and resid 40   and name HN  ))
      6.000     4.500     0.000 peak   765 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.048 ppm2      9.120 CV     1
 ASSI {  767}
   (( segid "    " and resid 53   and name HB1 ))
   (  segid "    " and resid 53   and name HD% )
      6.000     4.500     0.000 peak   767 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.900 ppm2      6.558 CV     1
 ASSI {  768}
   (( segid "    " and resid 40   and name HB2 ))
   (( segid "    " and resid 40   and name HN  ))
      6.000     4.500     0.000 peak   768 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.695 ppm2      9.123 CV     1
 ASSI {  772}
   (( segid "    " and resid 97   and name HB2 ))
   (( segid "    " and resid 115  and name HD2 ))
      6.000     4.500     0.000 peak   772 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.528 ppm2      6.799 CV     1
 ASSI {  774}
   (( segid "    " and resid 97   and name HB1 ))
   (( segid "    " and resid 97   and name HN  ))
      6.000     4.500     0.000 peak   774 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.374 ppm2      8.997 CV     1
 ASSI {  776}
   (( segid "    " and resid 101  and name HB1 ))
   (  segid "    " and resid 101  and name HD% )
      6.000     4.500     0.000 peak   776 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.325 ppm2      7.032 CV     1
 ASSI {  777}
   (( segid "    " and resid 53   and name HB2 ))
   (  segid "    " and resid 53   and name HD% )
      6.000     4.500     0.000 peak   777 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.257 ppm2      6.556 CV     1
 ASSI {  778}
   (( segid "    " and resid 53   and name HB2 ))
   (( segid "    " and resid 53   and name HN  ))
      6.000     4.500     0.000 peak   778 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.246 ppm2      8.850 CV     1
 ASSI {  781}
   (( segid "    " and resid 40   and name HB1 ))
   (( segid "    " and resid 41   and name HN  ))
      6.000     4.500     0.000 peak   781 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.052 ppm2      8.841 CV     1
 ASSI {  783}
   (( segid "    " and resid 153  and name HB1 ))
   (( segid "    " and resid 153  and name HN  ))
      6.000     4.500     0.000 peak   783 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.766 ppm2      8.739 CV     1
 ASSI {  784}
   (( segid "    " and resid 153  and name HB1 ))
   (( segid "    " and resid 154  and name HN  ))
      6.000     4.500     0.000 peak   784 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.768 ppm2      8.318 CV     1
 ASSI {  785}
   (( segid "    " and resid 40   and name HB2 ))
   (  segid "    " and resid 40   and name HD% )
      6.000     4.500     0.000 peak   785 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.694 ppm2      7.046 CV     1
 ASSI {  797}
   (( segid "    " and resid 4    and name HB1 ))
   (( segid "    " and resid 100  and name HN  ))
      6.000     4.500     0.000 peak   797 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.731 ppm2      7.545 CV     1
 ASSI {  798}
   (( segid "    " and resid 4    and name HB2 ))
   (( segid "    " and resid 4    and name HN  ))
      6.000     4.500     0.000 peak   798 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.668 ppm2      8.652 CV     1
 ASSI {  799}
   (( segid "    " and resid 119  and name HE2 ))
   (  segid "    " and resid 137  and name HD% )
      6.000     4.500     0.000 peak   799 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.303 ppm2      7.336 CV     1
 ASSI {  800}
   (( segid "    " and resid 7    and name HB  ))
   (( segid "    " and resid 7    and name HN  ))
      6.000     4.500     0.000 peak   800 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.471 ppm2      8.973 CV     1
 ASSI {  809}
   (( segid "    " and resid 4    and name HB1 ))
   (  segid "    " and resid 4    and name HD% )
      6.000     4.500     0.000 peak   809 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.750 ppm2      6.825 CV     1
 ASSI {  811}
   (( segid "    " and resid 4    and name HB2 ))
   (( segid "    " and resid 100  and name HN  ))
      6.000     4.500     0.000 peak   811 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.687 ppm2      7.528 CV     1
 ASSI {  816}
   (( segid "    " and resid 69   and name HB1 ))
   (( segid "    " and resid 70   and name HN  ))
      6.000     4.500     0.000 peak   816 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.218 ppm2      7.826 CV     1
 ASSI {  822}
   (( segid "    " and resid 107  and name HB2 ))
   (( segid "    " and resid 107  and name HN  ))
      6.000     4.500     0.000 peak   822 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.755 ppm2      9.217 CV     1
 ASSI {  823}
   (( segid "    " and resid 107  and name HB2 ))
   (( segid "    " and resid 108  and name HN  ))
      6.000     4.500     0.000 peak   823 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.755 ppm2      8.982 CV     1
 ASSI {  824}
   (( segid "    " and resid 107  and name HB2 ))
   (( segid "    " and resid 107  and name HD21))
      6.000     4.500     0.000 peak   824 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.754 ppm2      7.811 CV     1
 ASSI {  825}
   (( segid "    " and resid 107  and name HB2 ))
   (( segid "    " and resid 107  and name HA  ))
      6.000     4.500     0.000 peak   825 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.754 ppm2      5.522 CV     1
 ASSI {  829}
   (( segid "    " and resid 107  and name HB1 ))
   (( segid "    " and resid 107  and name HA  ))
      6.000     4.500     0.000 peak   829 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.685 ppm2      5.522 CV     1
 ASSI {  832}
   (( segid "    " and resid 152  and name HB2 ))
   (  segid "    " and resid 152  and name HD% )
      6.000     4.500     0.000 peak   832 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.386 ppm2      7.065 CV     1
 ASSI {  836}
   (( segid "    " and resid 129  and name HB2 ))
   (  segid "    " and resid 129  and name HD% )
      6.000     4.500     0.000 peak   836 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.185 ppm2      7.194 CV     1
 ASSI {  838}
   (( segid "    " and resid 129  and name HB1 ))
   (  segid "    " and resid 129  and name HD% )
      6.000     4.500     0.000 peak   838 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.890 ppm2      7.211 CV     1
 ASSI {  842}
   (( segid "    " and resid 152  and name HB1 ))
   (  segid "    " and resid 152  and name HD% )
      6.000     4.500     0.000 peak   842 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.674 ppm2      7.074 CV     1
 ASSI {  843}
   (( segid "    " and resid 103  and name HB2 ))
   (( segid "    " and resid 103  and name HD21))
      6.000     4.500     0.000 peak   843 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.682 ppm2      6.991 CV     1
 ASSI {  844}
   (( segid "    " and resid 10   and name HB1 ))
   (( segid "    " and resid 10   and name HD22))
      6.000     4.500     0.000 peak   844 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.391 ppm2      6.869 CV     1
 ASSI {  845}
   (( segid "    " and resid 103  and name HB1 ))
   (( segid "    " and resid 103  and name HN  ))
      6.000     4.500     0.000 peak   845 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.008 ppm2      9.261 CV     1
 ASSI {  851}
   (( segid "    " and resid 103  and name HB2 ))
   (( segid "    " and resid 103  and name HN  ))
      6.000     4.500     0.000 peak   851 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.682 ppm2      9.264 CV     1
 ASSI {  852}
   (( segid "    " and resid 103  and name HB2 ))
   (( segid "    " and resid 104  and name HN  ))
      6.000     4.500     0.000 peak   852 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.683 ppm2      8.356 CV     1
 ASSI {  855}
   (( segid "    " and resid 10   and name HB2 ))
   (( segid "    " and resid 10   and name HD22))
      6.000     4.500     0.000 peak   855 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.646 ppm2      6.873 CV     1
 ASSI {  856}
   (( segid "    " and resid 49   and name HB1 ))
   (( segid "    " and resid 50   and name HN  ))
      6.000     4.500     0.000 peak   856 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.732 ppm2      7.823 CV     1
 ASSI {  857}
   (( segid "    " and resid 49   and name HB1 ))
   (( segid "    " and resid 49   and name HN  ))
      6.000     4.500     0.000 peak   857 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.717 ppm2      8.878 CV     1
 ASSI {  860}
   (( segid "    " and resid 131  and name HB  ))
   (( segid "    " and resid 132  and name HN  ))
      6.000     4.500     0.000 peak   860 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.152 ppm2      8.306 CV     1
 ASSI {  864}
   (( segid "    " and resid 137  and name HB1 ))
   (  segid "    " and resid 137  and name HD% )
      6.000     4.500     0.000 peak   864 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.392 ppm2      7.342 CV     1
 ASSI {  866}
   (( segid "    " and resid 137  and name HB2 ))
   (( segid "    " and resid 141  and name HN  ))
      6.000     4.500     0.000 peak   866 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.268 ppm2      8.010 CV     1
 ASSI {  867}
   (( segid "    " and resid 137  and name HB2 ))
   (  segid "    " and resid 137  and name HD% )
      6.000     4.500     0.000 peak   867 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.261 ppm2      7.331 CV     1
 ASSI {  871}
   (( segid "    " and resid 33   and name HB  ))
   (( segid "    " and resid 34   and name HN  ))
      6.000     4.500     0.000 peak   871 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.780 ppm2      9.185 CV     1
 ASSI {  872}
   (( segid "    " and resid 116  and name HB1 ))
   (( segid "    " and resid 116  and name HN  ))
      6.000     4.500     0.000 peak   872 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.077 ppm2      8.407 CV     1
 ASSI {  873}
   (( segid "    " and resid 116  and name HB1 ))
   (  segid "    " and resid 116  and name HD% )
      6.000     4.500     0.000 peak   873 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.082 ppm2      6.656 CV     1
 ASSI {  874}
   (( segid "    " and resid 116  and name HB2 ))
   (  segid "    " and resid 116  and name HD% )
      6.000     4.500     0.000 peak   874 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.989 ppm2      6.654 CV     1
 ASSI {  877}
   (( segid "    " and resid 67   and name HG1 ))
   (( segid "    " and resid 68   and name HN  ))
      6.000     4.500     0.000 peak   877 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.154 ppm2      6.878 CV     1
 ASSI {  878}
   (( segid "    " and resid 67   and name HG2 ))
   (( segid "    " and resid 67   and name HN  ))
      6.000     4.500     0.000 peak   878 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.979 ppm2      8.723 CV     1
 ASSI {  879}
   (( segid "    " and resid 67   and name HG2 ))
   (( segid "    " and resid 68   and name HN  ))
      6.000     4.500     0.000 peak   879 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.984 ppm2      6.871 CV     1
 ASSI {  882}
   (( segid "    " and resid 146  and name HB  ))
   (( segid "    " and resid 145  and name HN  ))
      6.000     4.500     0.000 peak   882 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.786 ppm2      6.746 CV     1
 ASSI {  889}
   (( segid "    " and resid 39   and name HB1 ))
   (  segid "    " and resid 39   and name HD% )
      6.000     4.500     0.000 peak   889 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.788 ppm2      6.964 CV     1
 ASSI {  890}
   (( segid "    " and resid 39   and name HB1 ))
   (( segid "    " and resid 39   and name HA  ))
      6.000     4.500     0.000 peak   890 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.786 ppm2      5.269 CV     1
 ASSI {  896}
   (( segid "    " and resid 76   and name HB  ))
   (( segid "    " and resid 77   and name HN  ))
      6.000     4.500     0.000 peak   896 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.856 ppm2      8.040 CV     1
 ASSI {  905}
   (( segid "    " and resid 98   and name HB  ))
   (( segid "    " and resid 71   and name HN  ))
      6.000     4.500     0.000 peak   905 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.119 ppm2      7.775 CV     1
 ASSI {  908}
   (( segid "    " and resid 141  and name HG1 ))
   (( segid "    " and resid 142  and name HN  ))
      6.000     4.500     0.000 peak   908 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.289 ppm2      9.274 CV     1
 ASSI {  909}
   (( segid "    " and resid 141  and name HG1 ))
   (( segid "    " and resid 141  and name HN  ))
      6.000     4.500     0.000 peak   909 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.286 ppm2      8.004 CV     1
 ASSI {  910}
   (( segid "    " and resid 141  and name HG2 ))
   (( segid "    " and resid 142  and name HN  ))
      6.000     4.500     0.000 peak   910 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.056 ppm2      9.270 CV     1
 ASSI {  919}
   (( segid "    " and resid 16   and name HG1 ))
   (( segid "    " and resid 16   and name HN  ))
      6.000     4.500     0.000 peak   919 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.388 ppm2      7.278 CV     1
 ASSI {  920}
   (( segid "    " and resid 16   and name HG2 ))
   (( segid "    " and resid 19   and name HD21))
      6.000     4.500     0.000 peak   920 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.362 ppm2      7.411 CV     1
 ASSI {  922}
   (( segid "    " and resid 16   and name HG2 ))
   (( segid "    " and resid 16   and name HN  ))
      6.000     4.500     0.000 peak   922 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.346 ppm2      7.277 CV     1
 ASSI {  923}
   (( segid "    " and resid 104  and name HG1 ))
   (( segid "    " and resid 104  and name HN  ))
      6.000     4.500     0.000 peak   923 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.603 ppm2      8.344 CV     1
 ASSI {  924}
   (( segid "    " and resid 104  and name HG1 ))
   (( segid "    " and resid 103  and name HN  ))
      6.000     4.500     0.000 peak   924 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.601 ppm2      9.263 CV     1
 ASSI {  926}
   (( segid "    " and resid 104  and name HG1 ))
   (  segid "    " and resid 101  and name HD% )
      6.000     4.500     0.000 peak   926 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.601 ppm2      7.037 CV     1
 ASSI {  929}
   (( segid "    " and resid 104  and name HG2 ))
   (( segid "    " and resid 103  and name HN  ))
      6.000     4.500     0.000 peak   929 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.529 ppm2      9.261 CV     1
 ASSI {  930}
   (( segid "    " and resid 104  and name HG2 ))
   (( segid "    " and resid 104  and name HN  ))
      6.000     4.500     0.000 peak   930 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.529 ppm2      8.342 CV     1
 ASSI {  931}
   (( segid "    " and resid 104  and name HG2 ))
   (( segid "    " and resid 105  and name HN  ))
      6.000     4.500     0.000 peak   931 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.525 ppm2      8.190 CV     1
 ASSI {  932}
   (( segid "    " and resid 104  and name HG2 ))
   (  segid "    " and resid 101  and name HD% )
      6.000     4.500     0.000 peak   932 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.530 ppm2      7.043 CV     1
 ASSI {  934}
   (( segid "    " and resid 30   and name HG2 ))
   (( segid "    " and resid 30   and name HN  ))
      6.000     4.500     0.000 peak   934 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.180 ppm2      8.918 CV     1
 ASSI {  935}
   (( segid "    " and resid 30   and name HG2 ))
   (( segid "    " and resid 31   and name HN  ))
      6.000     4.500     0.000 peak   935 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.182 ppm2      7.273 CV     1
 ASSI {  937}
   (( segid "    " and resid 58   and name HB  ))
   (( segid "    " and resid 5    and name HN  ))
      6.000     4.500     0.000 peak   937 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.977 ppm2      9.503 CV     1
 ASSI {  938}
   (( segid "    " and resid 77   and name HG1 ))
   (( segid "    " and resid 77   and name HN  ))
      6.000     4.500     0.000 peak   938 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.863 ppm2      8.022 CV     1
 ASSI {  940}
   (( segid "    " and resid 80   and name HG1 ))
   (( segid "    " and resid 80   and name HE21))
      6.000     4.500     0.000 peak   940 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.504 ppm2      7.914 CV     1
 ASSI {  942}
   (( segid "    " and resid 80   and name HG1 ))
   (( segid "    " and resid 80   and name HE22))
      6.000     4.500     0.000 peak   942 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.509 ppm2      7.458 CV     1
 ASSI {  946}
   (( segid "    " and resid 68   and name HG2 ))
   (( segid "    " and resid 72   and name HD2 ))
      6.000     4.500     0.000 peak   946 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.415 ppm2      7.225 CV     1
 OR {  946}
   (( segid "    " and resid 68   and name HG1 ))
   (( segid "    " and resid 72   and name HD2 ))
 ASSI {  948}
   (( segid "    " and resid 109  and name HG1 ))
   (( segid "    " and resid 109  and name HN  ))
      6.000     4.500     0.000 peak   948 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.341 ppm2      8.884 CV     1
 ASSI {  950}
   (( segid "    " and resid 80   and name HG2 ))
   (( segid "    " and resid 80   and name HE21))
      6.000     4.500     0.000 peak   950 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.269 ppm2      7.910 CV     1
 ASSI {  952}
   (( segid "    " and resid 80   and name HG2 ))
   (( segid "    " and resid 80   and name HE22))
      6.000     4.500     0.000 peak   952 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.258 ppm2      7.443 CV     1
 ASSI {  958}
   (( segid "    " and resid 77   and name HG2 ))
   (( segid "    " and resid 77   and name HN  ))
      6.000     4.500     0.000 peak   958 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.956 ppm2      8.024 CV     1
 ASSI {  960}
   (( segid "    " and resid 68   and name HG1 ))
   (( segid "    " and resid 71   and name HD21))
      6.000     4.500     0.000 peak   960 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.415 ppm2      7.458 CV     1
 OR {  960}
   (( segid "    " and resid 68   and name HG2 ))
   (( segid "    " and resid 71   and name HD21))
 ASSI {  968}
   (( segid "    " and resid 134  and name HG1 ))
   (( segid "    " and resid 135  and name HN  ))
      6.000     4.500     0.000 peak   968 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.319 ppm2      7.214 CV     1
 ASSI {  969}
   (( segid "    " and resid 134  and name HG1 ))
   (( segid "    " and resid 134  and name HN  ))
      6.000     4.500     0.000 peak   969 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.315 ppm2      8.299 CV     1
 ASSI {  972}
   (( segid "    " and resid 61   and name HG1 ))
   (( segid "    " and resid 61   and name HN  ))
      6.000     4.500     0.000 peak   972 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.933 ppm2      8.810 CV     1
 ASSI {  977}
   (( segid "    " and resid 36   and name HB  ))
   (( segid "    " and resid 37   and name HN  ))
      6.000     4.500     0.000 peak   977 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.967 ppm2      9.137 CV     1
 ASSI {  985}
   (( segid "    " and resid 48   and name HG1 ))
   (( segid "    " and resid 48   and name HN  ))
      6.000     4.500     0.000 peak   985 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.557 ppm2      8.584 CV     1
 ASSI {  986}
   (( segid "    " and resid 48   and name HG2 ))
   (( segid "    " and resid 93   and name HN  ))
      6.000     4.500     0.000 peak   986 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.484 ppm2      8.738 CV     1
 ASSI {  987}
   (( segid "    " and resid 48   and name HG2 ))
   (( segid "    " and resid 48   and name HN  ))
      6.000     4.500     0.000 peak   987 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.475 ppm2      8.581 CV     1
 ASSI {  988}
   (( segid "    " and resid 48   and name HG2 ))
   (( segid "    " and resid 48   and name HE21))
      6.000     4.500     0.000 peak   988 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.472 ppm2      7.769 CV     1
 ASSI {  989}
   (( segid "    " and resid 48   and name HG2 ))
   (( segid "    " and resid 48   and name HE22))
      6.000     4.500     0.000 peak   989 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.473 ppm2      7.046 CV     1
 ASSI {  993}
   (( segid "    " and resid 99   and name HB1 ))
   (( segid "    " and resid 99   and name HN  ))
      6.000     4.500     0.000 peak   993 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.145 ppm2      9.596 CV     1
 ASSI {  994}
   (( segid "    " and resid 99   and name HB1 ))
   (( segid "    " and resid 100  and name HN  ))
      6.000     4.500     0.000 peak   994 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.138 ppm2      7.543 CV     1
 ASSI {  997}
   (( segid "    " and resid 79   and name HG1 ))
   (( segid "    " and resid 79   and name HE21))
      6.000     4.500     0.000 peak   997 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.696 ppm2      7.800 CV     1
 ASSI {  998}
   (( segid "    " and resid 79   and name HG1 ))
   (( segid "    " and resid 79   and name HN  ))
      6.000     4.500     0.000 peak   998 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.681 ppm2      8.796 CV     1
 ASSI {  999}
   (( segid "    " and resid 79   and name HG1 ))
   (( segid "    " and resid 80   and name HN  ))
      6.000     4.500     0.000 peak   999 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.682 ppm2      7.653 CV     1
 ASSI { 1001}
   (( segid "    " and resid 79   and name HG1 ))
   (( segid "    " and resid 79   and name HE22))
      6.000     4.500     0.000 peak  1001 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.675 ppm2      6.996 CV     1
 ASSI { 1003}
   (( segid "    " and resid 79   and name HG2 ))
   (( segid "    " and resid 81   and name HN  ))
      6.000     4.500     0.000 peak  1003 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.588 ppm2      7.936 CV     1
 ASSI { 1004}
   (( segid "    " and resid 79   and name HG2 ))
   (( segid "    " and resid 80   and name HN  ))
      6.000     4.500     0.000 peak  1004 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.587 ppm2      7.646 CV     1
 ASSI { 1012}
   (( segid "    " and resid 145  and name HG2 ))
   (( segid "    " and resid 146  and name HN  ))
      6.000     4.500     0.000 peak  1012 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.490 ppm2      7.862 CV     1
 OR { 1012}
   (( segid "    " and resid 145  and name HG1 ))
   (( segid "    " and resid 146  and name HN  ))
 ASSI { 1017}
   (( segid "    " and resid 142  and name HB1 ))
   (( segid "    " and resid 142  and name HN  ))
      6.000     4.500     0.000 peak  1017 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.099 ppm2      9.262 CV     1
 ASSI { 1019}
   (( segid "    " and resid 14   and name HB2 ))
   (( segid "    " and resid 15   and name HN  ))
      6.000     4.500     0.000 peak  1019 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.152 ppm2      8.176 CV     1
 ASSI { 1020}
   (( segid "    " and resid 99   and name HG2 ))
   (( segid "    " and resid 99   and name HN  ))
      6.000     4.500     0.000 peak  1020 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.193 ppm2      9.594 CV     1
 ASSI { 1024}
   (( segid "    " and resid 99   and name HG1 ))
   (( segid "    " and resid 99   and name HN  ))
      6.000     4.500     0.000 peak  1024 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.694 ppm2      9.598 CV     1
 ASSI { 1026}
   (( segid "    " and resid 41   and name HB2 ))
   (( segid "    " and resid 158  and name HE3 ))
      6.000     4.500     0.000 peak  1026 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.747 ppm2      7.404 CV     1
 OR { 1026}
   (( segid "    " and resid 41   and name HB1 ))
   (( segid "    " and resid 158  and name HE3 ))
 ASSI { 1029}
   (( segid "    " and resid 51   and name HB1 ))
   (( segid "    " and resid 52   and name HN  ))
      6.000     4.500     0.000 peak  1029 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.454 ppm2      8.039 CV     1
 ASSI { 1030}
   (( segid "    " and resid 51   and name HB2 ))
   (( segid "    " and resid 52   and name HN  ))
      6.000     4.500     0.000 peak  1030 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.160 ppm2      8.047 CV     1
 ASSI { 1032}
   (( segid "    " and resid 105  and name HB  ))
   (( segid "    " and resid 106  and name HN  ))
      6.000     4.500     0.000 peak  1032 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.022 ppm2      9.411 CV     1
 ASSI { 1036}
   (( segid "    " and resid 142  and name HG1 ))
   (( segid "    " and resid 142  and name HN  ))
      6.000     4.500     0.000 peak  1036 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.817 ppm2      9.268 CV     1
 ASSI { 1039}
   (( segid "    " and resid 29   and name HB2 ))
   (( segid "    " and resid 30   and name HN  ))
      6.000     4.500     0.000 peak  1039 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.397 ppm2      8.912 CV     1
 ASSI { 1049}
   (( segid "    " and resid 47   and name HB2 ))
   (( segid "    " and resid 48   and name HN  ))
      6.000     4.500     0.000 peak  1049 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.441 ppm2      8.577 CV     1
 ASSI { 1051}
   (( segid "    " and resid 85   and name HB1 ))
   (( segid "    " and resid 85   and name HN  ))
      6.000     4.500     0.000 peak  1051 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.993 ppm2      8.299 CV     1
 ASSI { 1053}
   (( segid "    " and resid 23   and name HB2 ))
   (( segid "    " and resid 22   and name HN  ))
      6.000     4.500     0.000 peak  1053 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.983 ppm2      8.532 CV     1
 OR { 1053}
   (( segid "    " and resid 23   and name HB1 ))
   (( segid "    " and resid 22   and name HN  ))
 ASSI { 1059}
   (( segid "    " and resid 115  and name HB1 ))
   (( segid "    " and resid 115  and name HD2 ))
      6.000     4.500     0.000 peak  1059 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.777 ppm2      6.799 CV     1
 ASSI { 1062}
   (( segid "    " and resid 72   and name HB1 ))
   (( segid "    " and resid 72   and name HD2 ))
      6.000     4.500     0.000 peak  1062 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.441 ppm2      7.213 CV     1
 ASSI { 1063}
   (( segid "    " and resid 72   and name HB2 ))
   (( segid "    " and resid 73   and name HN  ))
      6.000     4.500     0.000 peak  1063 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.959 ppm2      9.330 CV     1
 ASSI { 1064}
   (( segid "    " and resid 72   and name HB2 ))
   (( segid "    " and resid 72   and name HD2 ))
      6.000     4.500     0.000 peak  1064 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.957 ppm2      7.218 CV     1
 ASSI { 1067}
   (( segid "    " and resid 91   and name HG2 ))
   (( segid "    " and resid 10   and name HD21))
      6.000     4.500     0.000 peak  1067 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.089 ppm2      6.474 CV     1
 OR { 1067}
   (( segid "    " and resid 91   and name HG1 ))
   (( segid "    " and resid 10   and name HD21))
 ASSI { 1072}
   (( segid "    " and resid 44   and name HB2 ))
   (( segid "    " and resid 50   and name HE21))
      6.000     4.500     0.000 peak  1072 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.943 ppm2      7.094 CV     1
 OR { 1072}
   (( segid "    " and resid 44   and name HB1 ))
   (( segid "    " and resid 50   and name HE21))
 ASSI { 1073}
   (( segid "    " and resid 44   and name HB1 ))
   (  segid "    " and resid 53   and name HD% )
      6.000     4.500     0.000 peak  1073 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.943 ppm2      6.535 CV     1
 OR { 1073}
   (( segid "    " and resid 44   and name HB2 ))
   (  segid "    " and resid 53   and name HD% )
 ASSI { 1079}
   (( segid "    " and resid 119  and name HB2 ))
   (( segid "    " and resid 119  and name HN  ))
      6.000     4.500     0.000 peak  1079 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.509 ppm2      8.116 CV     1
 ASSI { 1085}
   (( segid "    " and resid 91   and name HB2 ))
   (( segid "    " and resid 10   and name HD21))
      6.000     4.500     0.000 peak  1085 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.813 ppm2      6.485 CV     1
 OR { 1085}
   (( segid "    " and resid 91   and name HB1 ))
   (( segid "    " and resid 10   and name HD21))
 ASSI { 1087}
   (( segid "    " and resid 32   and name HB1 ))
   (( segid "    " and resid 32   and name HD2 ))
      6.000     4.500     0.000 peak  1087 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.342 ppm2      7.003 CV     1
 ASSI { 1091}
   (( segid "    " and resid 32   and name HB2 ))
   (( segid "    " and resid 32   and name HD2 ))
      6.000     4.500     0.000 peak  1091 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.126 ppm2      7.003 CV     1
 ASSI { 1104}
   (( segid "    " and resid 104  and name HB2 ))
   (  segid "    " and resid 101  and name HD% )
      6.000     4.500     0.000 peak  1104 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.395 ppm2      7.045 CV     1
 ASSI { 1108}
   (( segid "    " and resid 104  and name HB1 ))
   (  segid "    " and resid 101  and name HD% )
      6.000     4.500     0.000 peak  1108 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.191 ppm2      7.038 CV     1
 ASSI { 1112}
   (( segid "    " and resid 133  and name HB2 ))
   (  segid "    " and resid 129  and name HD% )
      6.000     4.500     0.000 peak  1112 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.594 ppm2      7.211 CV     1
 ASSI { 1115}
   (( segid "    " and resid 127  and name HB2 ))
   (  segid "    " and resid 40   and name HD% )
      6.000     4.500     0.000 peak  1115 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.707 ppm2      7.035 CV     1
 ASSI { 1119}
   (( segid "    " and resid 144  and name HB1 ))
   (( segid "    " and resid 144  and name HN  ))
      6.000     4.500     0.000 peak  1119 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.129 ppm2      9.591 CV     1
 ASSI { 1120}
   (( segid "    " and resid 144  and name HB1 ))
   (( segid "    " and resid 147  and name HN  ))
      6.000     4.500     0.000 peak  1120 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.129 ppm2      7.477 CV     1
 ASSI { 1121}
   (( segid "    " and resid 144  and name HB1 ))
   (  segid "    " and resid 129  and name HD% )
      6.000     4.500     0.000 peak  1121 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.127 ppm2      7.207 CV     1
 ASSI { 1122}
   (( segid "    " and resid 144  and name HB1 ))
   (( segid "    " and resid 145  and name HN  ))
      6.000     4.500     0.000 peak  1122 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.127 ppm2      6.749 CV     1
 ASSI { 1123}
   (( segid "    " and resid 127  and name HB1 ))
   (  segid "    " and resid 40   and name HD% )
      6.000     4.500     0.000 peak  1123 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.955 ppm2      7.043 CV     1
 ASSI { 1125}
   (( segid "    " and resid 127  and name HB1 ))
   (( segid "    " and resid 128  and name HN  ))
      6.000     4.500     0.000 peak  1125 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.945 ppm2      6.567 CV     1
 ASSI { 1128}
   (( segid "    " and resid 144  and name HB2 ))
   (( segid "    " and resid 147  and name HN  ))
      6.000     4.500     0.000 peak  1128 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.809 ppm2      7.481 CV     1
 ASSI { 1129}
   (( segid "    " and resid 144  and name HB2 ))
   (( segid "    " and resid 144  and name HN  ))
      6.000     4.500     0.000 peak  1129 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.802 ppm2      9.593 CV     1
 ASSI { 1130}
   (( segid "    " and resid 144  and name HB2 ))
   (( segid "    " and resid 145  and name HN  ))
      6.000     4.500     0.000 peak  1130 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.808 ppm2      6.752 CV     1
 ASSI { 1138}
   (( segid "    " and resid 148  and name HB1 ))
   (( segid "    " and resid 148  and name HD2 ))
      6.000     4.500     0.000 peak  1138 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.255 ppm2      7.011 CV     1
 ASSI { 1141}
   (( segid "    " and resid 148  and name HB2 ))
   (( segid "    " and resid 148  and name HN  ))
      6.000     4.500     0.000 peak  1141 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.189 ppm2      7.578 CV     1
 ASSI { 1143}
   (( segid "    " and resid 148  and name HB2 ))
   (( segid "    " and resid 148  and name HD2 ))
      6.000     4.500     0.000 peak  1143 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.192 ppm2      6.999 CV     1
 ASSI { 1145}
   (( segid "    " and resid 50   and name HB1 ))
   (( segid "    " and resid 10   and name HD22))
      6.000     4.500     0.000 peak  1145 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.023 ppm2      6.864 CV     1
 OR { 1145}
   (( segid "    " and resid 50   and name HB2 ))
   (( segid "    " and resid 10   and name HD22))
 ASSI { 1147}
   (( segid "    " and resid 141  and name HB1 ))
   (( segid "    " and resid 142  and name HN  ))
      6.000     4.500     0.000 peak  1147 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.876 ppm2      9.267 CV     1
 ASSI { 1148}
   (( segid "    " and resid 141  and name HB1 ))
   (( segid "    " and resid 141  and name HN  ))
      6.000     4.500     0.000 peak  1148 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.874 ppm2      8.002 CV     1
 ASSI { 1149}
   (( segid "    " and resid 141  and name HB1 ))
   (  segid "    " and resid 137  and name HD% )
      6.000     4.500     0.000 peak  1149 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.881 ppm2      7.332 CV     1
 ASSI { 1151}
   (( segid "    " and resid 141  and name HB2 ))
   (( segid "    " and resid 142  and name HN  ))
      6.000     4.500     0.000 peak  1151 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.775 ppm2      9.265 CV     1
 ASSI { 1152}
   (( segid "    " and resid 141  and name HB2 ))
   (( segid "    " and resid 140  and name HN  ))
      6.000     4.500     0.000 peak  1152 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.778 ppm2      8.370 CV     1
 ASSI { 1153}
   (( segid "    " and resid 141  and name HB2 ))
   (( segid "    " and resid 141  and name HN  ))
      6.000     4.500     0.000 peak  1153 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.778 ppm2      7.998 CV     1
 ASSI { 1154}
   (( segid "    " and resid 88   and name HB2 ))
   (( segid "    " and resid 89   and name HN  ))
      6.000     4.500     0.000 peak  1154 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.683 ppm2      9.332 CV     1
 ASSI { 1156}
   (( segid "    " and resid 18   and name HB  ))
   (( segid "    " and resid 17   and name HN  ))
      6.000     4.500     0.000 peak  1156 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.567 ppm2      8.195 CV     1
 ASSI { 1159}
   (( segid "    " and resid 18   and name HB  ))
   (( segid "    " and resid 19   and name HN  ))
      6.000     4.500     0.000 peak  1159 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.540 ppm2      8.118 CV     1
 ASSI { 1162}
   (( segid "    " and resid 66   and name HB2 ))
   (( segid "    " and resid 67   and name HN  ))
      6.000     4.500     0.000 peak  1162 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.285 ppm2      8.730 CV     1
 ASSI { 1165}
   (( segid "    " and resid 66   and name HB1 ))
   (  segid "    " and resid 101  and name HD% )
      6.000     4.500     0.000 peak  1165 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.552 ppm2      7.027 CV     1
 ASSI { 1173}
   (( segid "    " and resid 48   and name HB1 ))
   (( segid "    " and resid 93   and name HN  ))
      6.000     4.500     0.000 peak  1173 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.037 ppm2      8.737 CV     1
 ASSI { 1174}
   (( segid "    " and resid 48   and name HB1 ))
   (( segid "    " and resid 48   and name HN  ))
      6.000     4.500     0.000 peak  1174 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.034 ppm2      8.589 CV     1
 ASSI { 1180}
   (( segid "    " and resid 61   and name HB2 ))
   (( segid "    " and resid 61   and name HN  ))
      6.000     4.500     0.000 peak  1180 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.761 ppm2      8.813 CV     1
 ASSI { 1183}
   (( segid "    " and resid 61   and name HB1 ))
   (( segid "    " and resid 32   and name HN  ))
      6.000     4.500     0.000 peak  1183 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.309 ppm2      8.998 CV     1
 ASSI { 1184}
   (( segid "    " and resid 66   and name HB1 ))
   (( segid "    " and resid 67   and name HN  ))
      6.000     4.500     0.000 peak  1184 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.552 ppm2      8.726 CV     1
 ASSI { 1186}
   (( segid "    " and resid 158  and name HB2 ))
   (( segid "    " and resid 158  and name HE3 ))
      6.000     4.500     0.000 peak  1186 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.075 ppm2      7.425 CV     1
 ASSI { 1187}
   (( segid "    " and resid 158  and name HB2 ))
   (( segid "    " and resid 158  and name HD1 ))
      6.000     4.500     0.000 peak  1187 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.072 ppm2      7.270 CV     1
 ASSI { 1188}
   (( segid "    " and resid 158  and name HB1 ))
   (( segid "    " and resid 158  and name HN  ))
      6.000     4.500     0.000 peak  1188 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.771 ppm2      8.669 CV     1
 ASSI { 1189}
   (( segid "    " and resid 158  and name HB1 ))
   (( segid "    " and resid 158  and name HE3 ))
      6.000     4.500     0.000 peak  1189 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.769 ppm2      7.415 CV     1
 ASSI { 1190}
   (( segid "    " and resid 158  and name HB1 ))
   (( segid "    " and resid 158  and name HD1 ))
      6.000     4.500     0.000 peak  1190 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.767 ppm2      7.265 CV     1
 ASSI { 1193}
   (( segid "    " and resid 68   and name HB1 ))
   (( segid "    " and resid 67   and name HN  ))
      6.000     4.500     0.000 peak  1193 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.299 ppm2      8.711 CV     1
 OR { 1193}
   (( segid "    " and resid 68   and name HB2 ))
   (( segid "    " and resid 67   and name HN  ))
 ASSI { 1194}
   (( segid "    " and resid 68   and name HB1 ))
   (( segid "    " and resid 65   and name HN  ))
      6.000     4.500     0.000 peak  1194 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.280 ppm2      8.396 CV     1
 OR { 1194}
   (( segid "    " and resid 68   and name HB2 ))
   (( segid "    " and resid 65   and name HN  ))
 ASSI { 1196}
   (( segid "    " and resid 68   and name HB1 ))
   (( segid "    " and resid 68   and name HN  ))
      6.000     4.500     0.000 peak  1196 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.283 ppm2      6.888 CV     1
 OR { 1196}
   (( segid "    " and resid 68   and name HB2 ))
   (( segid "    " and resid 68   and name HN  ))
 ASSI { 1202}
   (( segid "    " and resid 61   and name HB2 ))
   (( segid "    " and resid 32   and name HN  ))
      6.000     4.500     0.000 peak  1202 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.764 ppm2      8.998 CV     1
 ASSI { 1203}
   (( segid "    " and resid 61   and name HB1 ))
   (( segid "    " and resid 62   and name HN  ))
      6.000     4.500     0.000 peak  1203 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.308 ppm2      9.212 CV     1
 ASSI { 1212}
   (( segid "    " and resid 150  and name HB2 ))
   (( segid "    " and resid 150  and name HN  ))
      6.000     4.500     0.000 peak  1212 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.264 ppm2      7.852 CV     1
 ASSI { 1213}
   (( segid "    " and resid 150  and name HB2 ))
   (( segid "    " and resid 151  and name HN  ))
      6.000     4.500     0.000 peak  1213 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.266 ppm2      7.526 CV     1
 ASSI { 1214}
   (( segid "    " and resid 150  and name HB2 ))
   (  segid "    " and resid 152  and name HD% )
      6.000     4.500     0.000 peak  1214 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.267 ppm2      7.049 CV     1
 ASSI { 1219}
   (( segid "    " and resid 75   and name HB2 ))
   (( segid "    " and resid 75   and name HN  ))
      6.000     4.500     0.000 peak  1219 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.345 ppm2      7.723 CV     1
 ASSI { 1220}
   (( segid "    " and resid 75   and name HB2 ))
   (( segid "    " and resid 77   and name HN  ))
      6.000     4.500     0.000 peak  1220 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.336 ppm2      8.059 CV     1
 ASSI { 1224}
   (( segid "    " and resid 75   and name HB1 ))
   (( segid "    " and resid 77   and name HN  ))
      6.000     4.500     0.000 peak  1224 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.903 ppm2      8.040 CV     1
 ASSI { 1225}
   (( segid "    " and resid 75   and name HB1 ))
   (( segid "    " and resid 75   and name HN  ))
      6.000     4.500     0.000 peak  1225 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.910 ppm2      7.720 CV     1
 ASSI { 1226}
   (( segid "    " and resid 23   and name HD1 ))
   (( segid "    " and resid 23   and name HN  ))
      6.000     4.500     0.000 peak  1226 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.698 ppm2      7.427 CV     1
 ASSI { 1227}
   (( segid "    " and resid 33   and name HG12))
   (( segid "    " and resid 34   and name HN  ))
      6.000     4.500     0.000 peak  1227 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.597 ppm2      9.183 CV     1
 OR { 1227}
   (( segid "    " and resid 33   and name HG11))
   (( segid "    " and resid 34   and name HN  ))
 ASSI { 1235}
   (( segid "    " and resid 76   and name HG12))
   (( segid "    " and resid 77   and name HN  ))
      6.000     4.500     0.000 peak  1235 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.115 ppm2      8.042 CV     1
 OR { 1235}
   (( segid "    " and resid 76   and name HG11))
   (( segid "    " and resid 77   and name HN  ))
 ASSI { 1238}
   (( segid "    " and resid 23   and name HD1 ))
   (( segid "    " and resid 24   and name HN  ))
      6.000     4.500     0.000 peak  1238 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.701 ppm2      7.924 CV     1
 ASSI { 1240}
   (( segid "    " and resid 33   and name HG12))
   (( segid "    " and resid 61   and name HN  ))
      6.000     4.500     0.000 peak  1240 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.612 ppm2      8.790 CV     1
 OR { 1240}
   (( segid "    " and resid 33   and name HG11))
   (( segid "    " and resid 61   and name HN  ))
 ASSI { 1248}
   (( segid "    " and resid 145  and name HB1 ))
   (( segid "    " and resid 142  and name HN  ))
      6.000     4.500     0.000 peak  1248 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.327 ppm2      9.263 CV     1
 OR { 1248}
   (( segid "    " and resid 145  and name HB2 ))
   (( segid "    " and resid 142  and name HN  ))
 ASSI { 1250}
   (( segid "    " and resid 134  and name HB1 ))
   (( segid "    " and resid 134  and name HN  ))
      6.000     4.500     0.000 peak  1250 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.317 ppm2      8.293 CV     1
 ASSI { 1251}
   (( segid "    " and resid 44   and name HG2 ))
   (( segid "    " and resid 50   and name HN  ))
      6.000     4.500     0.000 peak  1251 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.195 ppm2      7.812 CV     1
 OR { 1251}
   (( segid "    " and resid 44   and name HG1 ))
   (( segid "    " and resid 50   and name HN  ))
 ASSI { 1256}
   (( segid "    " and resid 98   and name HG12))
   (( segid "    " and resid 99   and name HN  ))
      6.000     4.500     0.000 peak  1256 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.874 ppm2      9.599 CV     1
 ASSI { 1258}
   (( segid "    " and resid 146  and name HG11))
   (( segid "    " and resid 146  and name HN  ))
      6.000     4.500     0.000 peak  1258 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.600 ppm2      7.867 CV     1
 ASSI { 1264}
   (( segid "    " and resid 79   and name HB2 ))
   (( segid "    " and resid 80   and name HN  ))
      6.000     4.500     0.000 peak  1264 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.370 ppm2      7.653 CV     1
 ASSI { 1265}
   (( segid "    " and resid 127  and name HG2 ))
   (  segid "    " and resid 40   and name HD% )
      6.000     4.500     0.000 peak  1265 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.058 ppm2      7.046 CV     1
 ASSI { 1266}
   (( segid "    " and resid 127  and name HG2 ))
   (( segid "    " and resid 126  and name HD1 ))
      6.000     4.500     0.000 peak  1266 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.052 ppm2      6.729 CV     1
 ASSI { 1267}
   (( segid "    " and resid 127  and name HG2 ))
   (( segid "    " and resid 128  and name HN  ))
      6.000     4.500     0.000 peak  1267 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.052 ppm2      6.571 CV     1
 ASSI { 1273}
   (( segid "    " and resid 127  and name HG1 ))
   (( segid "    " and resid 126  and name HD1 ))
      6.000     4.500     0.000 peak  1273 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.578 ppm2      6.746 CV     1
 ASSI { 1277}
   (( segid "    " and resid 79   and name HB2 ))
   (( segid "    " and resid 79   and name HN  ))
      6.000     4.500     0.000 peak  1277 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.368 ppm2      8.794 CV     1
 ASSI { 1278}
   (( segid "    " and resid 79   and name HB2 ))
   (( segid "    " and resid 79   and name HE21))
      6.000     4.500     0.000 peak  1278 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.366 ppm2      7.804 CV     1
 ASSI { 1279}
   (( segid "    " and resid 79   and name HB1 ))
   (( segid "    " and resid 79   and name HN  ))
      6.000     4.500     0.000 peak  1279 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.282 ppm2      8.795 CV     1
 ASSI { 1281}
   (( segid "    " and resid 79   and name HB1 ))
   (( segid "    " and resid 80   and name HN  ))
      6.000     4.500     0.000 peak  1281 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.271 ppm2      7.669 CV     1
 ASSI { 1289}
   (( segid "    " and resid 144  and name HG2 ))
   (( segid "    " and resid 144  and name HN  ))
      6.000     4.500     0.000 peak  1289 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.634 ppm2      9.595 CV     1
 ASSI { 1292}
   (( segid "    " and resid 14   and name HG1 ))
   (( segid "    " and resid 10   and name HN  ))
      6.000     4.500     0.000 peak  1292 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.476 ppm2      8.457 CV     1
 ASSI { 1300}
   (( segid "    " and resid 126  and name HB1 ))
   (( segid "    " and resid 126  and name HD1 ))
      6.000     4.500     0.000 peak  1300 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.122 ppm2      6.728 CV     1
 ASSI { 1308}
   (( segid "    " and resid 17   and name HB1 ))
   (( segid "    " and resid 80   and name HE22))
      6.000     4.500     0.000 peak  1308 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.167 ppm2      7.472 CV     1
 OR { 1308}
   (( segid "    " and resid 17   and name HB2 ))
   (( segid "    " and resid 80   and name HE22))
 ASSI { 1311}
   (( segid "    " and resid 30   and name HB2 ))
   (( segid "    " and resid 30   and name HN  ))
      6.000     4.500     0.000 peak  1311 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.995 ppm2      8.919 CV     1
 ASSI { 1313}
   (( segid "    " and resid 74   and name HB1 ))
   (( segid "    " and resid 74   and name HN  ))
      6.000     4.500     0.000 peak  1313 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.932 ppm2      8.921 CV     1
 ASSI { 1314}
   (( segid "    " and resid 74   and name HB1 ))
   (( segid "    " and resid 75   and name HN  ))
      6.000     4.500     0.000 peak  1314 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.922 ppm2      7.720 CV     1
 ASSI { 1316}
   (( segid "    " and resid 22   and name HG  ))
   (( segid "    " and resid 23   and name HN  ))
      6.000     4.500     0.000 peak  1316 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.909 ppm2      7.436 CV     1
 ASSI { 1317}
   (( segid "    " and resid 80   and name HB2 ))
   (( segid "    " and resid 79   and name HN  ))
      6.000     4.500     0.000 peak  1317 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.802 ppm2      8.797 CV     1
 ASSI { 1319}
   (( segid "    " and resid 80   and name HB2 ))
   (( segid "    " and resid 78   and name HN  ))
      6.000     4.500     0.000 peak  1319 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.804 ppm2      7.979 CV     1
 ASSI { 1323}
   (( segid "    " and resid 150  and name HG1 ))
   (( segid "    " and resid 147  and name HN  ))
      6.000     4.500     0.000 peak  1323 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.507 ppm2      7.487 CV     1
 ASSI { 1324}
   (( segid "    " and resid 150  and name HG2 ))
   (( segid "    " and resid 152  and name HN  ))
      6.000     4.500     0.000 peak  1324 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.462 ppm2      7.196 CV     1
 ASSI { 1327}
   (( segid "    " and resid 70   and name HG  ))
   (( segid "    " and resid 74   and name HE22))
      6.000     4.500     0.000 peak  1327 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.346 ppm2      7.129 CV     1
 ASSI { 1328}
   (( segid "    " and resid 119  and name HG2 ))
   (( segid "    " and resid 119  and name HN  ))
      6.000     4.500     0.000 peak  1328 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.314 ppm2      8.114 CV     1
 ASSI { 1335}
   (  segid "    " and resid 60   and name HD1%)
   (( segid "    " and resid 60   and name HN  ))
      6.000     4.500     0.000 peak  1335 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.746 ppm2      9.312 CV     1
 ASSI { 1337}
   (  segid "    " and resid 60   and name HD1%)
   (( segid "    " and resid 32   and name HN  ))
      6.000     4.500     0.000 peak  1337 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.743 ppm2      9.003 CV     1
 ASSI { 1339}
   (( segid "    " and resid 126  and name HB1 ))
   (( segid "    " and resid 126  and name HE3 ))
      6.000     4.500     0.000 peak  1339 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.131 ppm2      7.805 CV     1
 ASSI { 1340}
   (( segid "    " and resid 30   and name HB1 ))
   (( segid "    " and resid 30   and name HN  ))
      6.000     4.500     0.000 peak  1340 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.416 ppm2      8.918 CV     1
 ASSI { 1344}
   (( segid "    " and resid 17   and name HB2 ))
   (( segid "    " and resid 17   and name HN  ))
      6.000     4.500     0.000 peak  1344 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.168 ppm2      8.167 CV     1
 OR { 1344}
   (( segid "    " and resid 17   and name HB1 ))
   (( segid "    " and resid 17   and name HN  ))
 ASSI { 1347}
   (( segid "    " and resid 150  and name HG1 ))
   (( segid "    " and resid 150  and name HN  ))
      6.000     4.500     0.000 peak  1347 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.513 ppm2      7.851 CV     1
 ASSI { 1348}
   (( segid "    " and resid 150  and name HG1 ))
   (( segid "    " and resid 149  and name HN  ))
      6.000     4.500     0.000 peak  1348 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.503 ppm2      8.383 CV     1
 ASSI { 1349}
   (( segid "    " and resid 150  and name HG2 ))
   (( segid "    " and resid 150  and name HN  ))
      6.000     4.500     0.000 peak  1349 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.447 ppm2      7.851 CV     1
 ASSI { 1350}
   (( segid "    " and resid 150  and name HG2 ))
   (( segid "    " and resid 121  and name HN  ))
      6.000     4.500     0.000 peak  1350 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.448 ppm2      6.994 CV     1
 ASSI { 1353}
   (( segid "    " and resid 106  and name HG11))
   (( segid "    " and resid 106  and name HN  ))
      6.000     4.500     0.000 peak  1353 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.072 ppm2      9.384 CV     1
 OR { 1353}
   (( segid "    " and resid 106  and name HG12))
   (( segid "    " and resid 106  and name HN  ))
 ASSI { 1355}
   (  segid "    " and resid 64   and name HD1%)
   (( segid "    " and resid 65   and name HN  ))
      6.000     4.500     0.000 peak  1355 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.707 ppm2      8.396 CV     1
 OR { 1355}
   (  segid "    " and resid 64   and name HD2%)
   (( segid "    " and resid 65   and name HN  ))
 ASSI { 1357}
   (( segid "    " and resid 89   and name HB1 ))
   (( segid "    " and resid 89   and name HE3 ))
      6.000     4.500     0.000 peak  1357 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.570 ppm2      7.617 CV     1
 OR { 1357}
   (( segid "    " and resid 89   and name HB2 ))
   (( segid "    " and resid 89   and name HE3 ))
 ASSI { 1358}
   (( segid "    " and resid 89   and name HB2 ))
   (( segid "    " and resid 89   and name HD1 ))
      6.000     4.500     0.000 peak  1358 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.566 ppm2      7.144 CV     1
 OR { 1358}
   (( segid "    " and resid 89   and name HB1 ))
   (( segid "    " and resid 89   and name HD1 ))
 ASSI { 1359}
   (( segid "    " and resid 75   and name HG1 ))
   (( segid "    " and resid 76   and name HN  ))
      6.000     4.500     0.000 peak  1359 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.696 ppm2      8.039 CV     1
 ASSI { 1367}
   (( segid "    " and resid 150  and name HG1 ))
   (  segid "    " and resid 152  and name HD% )
      6.000     4.500     0.000 peak  1367 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.501 ppm2      7.033 CV     1
 ASSI { 1369}
   (( segid "    " and resid 92   and name HG1 ))
   (( segid "    " and resid 83   and name HN  ))
      6.000     4.500     0.000 peak  1369 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.382 ppm2      8.217 CV     1
 ASSI { 1371}
   (( segid "    " and resid 60   and name HG  ))
   (( segid "    " and resid 32   and name HN  ))
      6.000     4.500     0.000 peak  1371 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.305 ppm2      9.002 CV     1
 ASSI { 1372}
   (( segid "    " and resid 135  and name HG  ))
   (( segid "    " and resid 135  and name HN  ))
      6.000     4.500     0.000 peak  1372 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.265 ppm2      7.212 CV     1
 ASSI { 1375}
   (  segid "    " and resid 96   and name HD2%)
   (( segid "    " and resid 96   and name HA  ))
      6.000     4.500     0.000 peak  1375 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.145 ppm2      5.376 CV     1
 OR { 1375}
   (  segid "    " and resid 96   and name HD1%)
   (( segid "    " and resid 96   and name HA  ))
 ASSI { 1376}
   (  segid "    " and resid 96   and name HD2%)
   (( segid "    " and resid 96   and name HN  ))
      6.000     4.500     0.000 peak  1376 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.144 ppm2     10.650 CV     1
 ASSI { 1380}
   (  segid "    " and resid 64   and name HD1%)
   (( segid "    " and resid 69   and name HN  ))
      6.000     4.500     0.000 peak  1380 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.708 ppm2      8.232 CV     1
 ASSI { 1381}
   (  segid "    " and resid 64   and name HD1%)
   (( segid "    " and resid 72   and name HD2 ))
      6.000     4.500     0.000 peak  1381 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.708 ppm2      7.233 CV     1
 OR { 1381}
   (  segid "    " and resid 64   and name HD2%)
   (( segid "    " and resid 72   and name HD2 ))
 ASSI { 1382}
   (  segid "    " and resid 70   and name HD1%)
   (( segid "    " and resid 74   and name HE21))
      6.000     4.500     0.000 peak  1382 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.495 ppm2      8.229 CV     1
 ASSI { 1392}
   (( segid "    " and resid 114  and name HG2 ))
   (  segid "    " and resid 137  and name HD% )
      6.000     4.500     0.000 peak  1392 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.478 ppm2      7.333 CV     1
 ASSI { 1394}
   (( segid "    " and resid 66   and name HG1 ))
   (( segid "    " and resid 67   and name HN  ))
      6.000     4.500     0.000 peak  1394 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.742 ppm2      8.733 CV     1
 ASSI { 1396}
   (( segid "    " and resid 75   and name HG1 ))
   (( segid "    " and resid 75   and name HN  ))
      6.000     4.500     0.000 peak  1396 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.720 ppm2      7.720 CV     1
 ASSI { 1397}
   (( segid "    " and resid 75   and name HG2 ))
   (( segid "    " and resid 75   and name HN  ))
      6.000     4.500     0.000 peak  1397 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.592 ppm2      7.721 CV     1
 ASSI { 1409}
   (  segid "    " and resid 96   and name HD2%)
   (( segid "    " and resid 74   and name HE22))
      6.000     4.500     0.000 peak  1409 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.138 ppm2      7.101 CV     1
 ASSI { 1411}
   (  segid "    " and resid 69   and name HD1%)
   (  segid "    " and resid 101  and name HD% )
      6.000     4.500     0.000 peak  1411 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.022 ppm2      7.039 CV     1
 ASSI { 1416}
   (  segid "    " and resid 34   and name HD1%)
   (( segid "    " and resid 34   and name HN  ))
      6.000     4.500     0.000 peak  1416 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.815 ppm2      9.187 CV     1
 OR { 1416}
   (  segid "    " and resid 34   and name HD2%)
   (( segid "    " and resid 34   and name HN  ))
 ASSI { 1418}
   (  segid "    " and resid 34   and name HD1%)
   (( segid "    " and resid 61   and name HN  ))
      6.000     4.500     0.000 peak  1418 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.813 ppm2      8.794 CV     1
 OR { 1418}
   (  segid "    " and resid 34   and name HD2%)
   (( segid "    " and resid 61   and name HN  ))
 ASSI { 1419}
   (  segid "    " and resid 34   and name HD2%)
   (( segid "    " and resid 35   and name HN  ))
      6.000     4.500     0.000 peak  1419 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.812 ppm2      7.317 CV     1
 OR { 1419}
   (  segid "    " and resid 34   and name HD1%)
   (( segid "    " and resid 35   and name HN  ))
 ASSI { 1420}
   (( segid "    " and resid 66   and name HG2 ))
   (  segid "    " and resid 101  and name HD% )
      6.000     4.500     0.000 peak  1420 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.797 ppm2      7.032 CV     1
 ASSI { 1424}
   (  segid "    " and resid 128  and name HD2%)
   (  segid "    " and resid 4    and name HD% )
      6.000     4.500     0.000 peak  1424 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.588 ppm2      6.821 CV     1
 OR { 1424}
   (  segid "    " and resid 128  and name HD1%)
   (  segid "    " and resid 4    and name HD% )
 ASSI { 1427}
   (  segid "    " and resid 155  and name HD1%)
   (( segid "    " and resid 126  and name HD1 ))
      6.000     4.500     0.000 peak  1427 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.503 ppm2      6.728 CV     1
 OR { 1427}
   (  segid "    " and resid 155  and name HD2%)
   (( segid "    " and resid 126  and name HD1 ))
 ASSI { 1429}
   (( segid "    " and resid 157  and name HG1 ))
   (( segid "    " and resid 158  and name HN  ))
      6.000     4.500     0.000 peak  1429 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.304 ppm2      8.670 CV     1
 ASSI { 1441}
   (  segid "    " and resid 135  and name HD2%)
   (( segid "    " and resid 136  and name HN  ))
      6.000     4.500     0.000 peak  1441 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.380 ppm2      8.398 CV     1
 ASSI { 1443}
   (  segid "    " and resid 135  and name HD2%)
   (  segid "    " and resid 4    and name HD% )
      6.000     4.500     0.000 peak  1443 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.379 ppm2      6.834 CV     1
 ASSI { 1445}
   (  segid "    " and resid 111  and name HD1%)
   (( segid "    " and resid 112  and name HN  ))
      6.000     4.500     0.000 peak  1445 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.329 ppm2      9.772 CV     1
 ASSI { 1447}
   (  segid "    " and resid 111  and name HD1%)
   (( segid "    " and resid 107  and name HD21))
      6.000     4.500     0.000 peak  1447 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.327 ppm2      7.791 CV     1
 ASSI { 1448}
   (  segid "    " and resid 135  and name HD1%)
   (( segid "    " and resid 137  and name HN  ))
      6.000     4.500     0.000 peak  1448 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.116 ppm2      9.234 CV     1
 ASSI { 1453}
   (  segid "    " and resid 135  and name HD1%)
   (  segid "    " and resid 4    and name HD% )
      6.000     4.500     0.000 peak  1453 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.113 ppm2      6.825 CV     1
 ASSI { 1467}
   (( segid "    " and resid 143  and name HG  ))
   (( segid "    " and resid 129  and name HN  ))
      6.000     4.500     0.000 peak  1467 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.968 ppm2      8.683 CV     1
 ASSI { 1468}
   (( segid "    " and resid 143  and name HG  ))
   (( segid "    " and resid 143  and name HN  ))
      6.000     4.500     0.000 peak  1468 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.967 ppm2      8.435 CV     1
 ASSI { 1469}
   (( segid "    " and resid 143  and name HG  ))
   (  segid "    " and resid 129  and name HD% )
      6.000     4.500     0.000 peak  1469 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.965 ppm2      7.188 CV     1
 ASSI { 1470}
   (( segid "    " and resid 143  and name HG  ))
   (  segid "    " and resid 4    and name HD% )
      6.000     4.500     0.000 peak  1470 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.965 ppm2      6.833 CV     1
 ASSI { 1477}
   (  segid "    " and resid 54   and name HD1%)
   (( segid "    " and resid 54   and name HN  ))
      6.000     4.500     0.000 peak  1477 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1     -0.631 ppm2      8.585 CV     1
 ASSI { 1479}
   (  segid "    " and resid 54   and name HD1%)
   (( segid "    " and resid 158  and name HE3 ))
      6.000     4.500     0.000 peak  1479 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1     -0.631 ppm2      7.427 CV     1
 ASSI { 1480}
   (  segid "    " and resid 54   and name HD1%)
   (( segid "    " and resid 158  and name HD1 ))
      6.000     4.500     0.000 peak  1480 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1     -0.632 ppm2      7.272 CV     1
 ASSI { 1482}
   (  segid "    " and resid 54   and name HD1%)
   (  segid "    " and resid 39   and name HD% )
      6.000     4.500     0.000 peak  1482 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1     -0.631 ppm2      6.965 CV     1
 OR { 1482}
   (  segid "    " and resid 54   and name HD2%)
   (  segid "    " and resid 39   and name HD% )
 ASSI { 1486}
   (( segid "    " and resid 23   and name HG1 ))
   (( segid "    " and resid 23   and name HN  ))
      6.000     4.500     0.000 peak  1486 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.558 ppm2      7.422 CV     1
 ASSI { 1487}
   (( segid "    " and resid 23   and name HG2 ))
   (( segid "    " and resid 24   and name HN  ))
      6.000     4.500     0.000 peak  1487 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.460 ppm2      7.934 CV     1
 ASSI { 1488}
   (( segid "    " and resid 23   and name HG2 ))
   (( segid "    " and resid 23   and name HN  ))
      6.000     4.500     0.000 peak  1488 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.451 ppm2      7.436 CV     1
 ASSI { 1493}
   (  segid "    " and resid 100  and name HD1%)
   (( segid "    " and resid 100  and name HN  ))
      6.000     4.500     0.000 peak  1493 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.075 ppm2      7.525 CV     1
 ASSI { 1494}
   (  segid "    " and resid 100  and name HD1%)
   (  segid "    " and resid 137  and name HD% )
      6.000     4.500     0.000 peak  1494 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.078 ppm2      7.328 CV     1
 ASSI { 1496}
   (  segid "    " and resid 100  and name HD1%)
   (  segid "    " and resid 4    and name HD% )
      6.000     4.500     0.000 peak  1496 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.078 ppm2      6.831 CV     1
 ASSI { 1497}
   (  segid "    " and resid 100  and name HD1%)
   (( segid "    " and resid 114  and name HA  ))
      6.000     4.500     0.000 peak  1497 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.076 ppm2      5.465 CV     1
 ASSI { 1498}
   (( segid "    " and resid 143  and name HG  ))
   (( segid "    " and resid 147  and name HN  ))
      6.000     4.500     0.000 peak  1498 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.968 ppm2      7.436 CV     1
 ASSI { 1499}
   (( segid "    " and resid 121  and name HG2 ))
   (( segid "    " and resid 121  and name HN  ))
      6.000     4.500     0.000 peak  1499 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.730 ppm2      6.992 CV     1
 ASSI { 1500}
   (  segid "    " and resid 147  and name HD1%)
   (( segid "    " and resid 147  and name HN  ))
      6.000     4.500     0.000 peak  1500 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1     -0.457 ppm2      7.451 CV     1
 ASSI { 1502}
   (  segid "    " and resid 147  and name HD1%)
   (( segid "    " and resid 126  and name HE3 ))
      6.000     4.500     0.000 peak  1502 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1     -0.462 ppm2      7.822 CV     1
 ASSI { 1503}
   (  segid "    " and resid 147  and name HD1%)
   (  segid "    " and resid 129  and name HD% )
      6.000     4.500     0.000 peak  1503 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1     -0.458 ppm2      7.183 CV     1
 ASSI { 1507}
   (( segid "    " and resid 121  and name HG2 ))
   (( segid "    " and resid 119  and name HN  ))
      6.000     6.000     0.000 peak  1507 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.734 ppm2      8.148 CV     1
 ASSI { 1510}
   (  segid "    " and resid 22   and name HD2%)
   (( segid "    " and resid 23   and name HN  ))
      6.000     4.500     0.000 peak  1510 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.903 ppm2      7.411 CV     1
 ASSI { 1515}
   (  segid "    " and resid 22   and name HD2%)
   (( segid "    " and resid 22   and name HN  ))
      6.000     4.500     0.000 peak  1515 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.874 ppm2      8.512 CV     1
 ASSI { 1519}
   (  segid "    " and resid 56   and name HB% )
   (( segid "    " and resid 38   and name HN  ))
      6.000     4.500     0.000 peak  1519 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.433 ppm2      9.307 CV     1
 ASSI { 1522}
   (  segid "    " and resid 42   and name HG2%)
   (( segid "    " and resid 41   and name HA  ))
      6.000     4.500     0.000 peak  1522 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.443 ppm2      6.105 CV     1
 ASSI { 1523}
   (  segid "    " and resid 56   and name HB% )
   (( segid "    " and resid 57   and name HN  ))
      6.000     4.500     0.000 peak  1523 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.420 ppm2      9.502 CV     1
 ASSI { 1527}
   (  segid "    " and resid 56   and name HB% )
   (  segid "    " and resid 39   and name HD% )
      6.000     4.500     0.000 peak  1527 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.421 ppm2      6.984 CV     1
 ASSI { 1530}
   (  segid "    " and resid 56   and name HB% )
   (( segid "    " and resid 57   and name HA  ))
      6.000     4.500     0.000 peak  1530 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.423 ppm2      5.683 CV     1
 ASSI { 1531}
   (  segid "    " and resid 56   and name HB% )
   (( segid "    " and resid 39   and name HA  ))
      6.000     4.500     0.000 peak  1531 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.424 ppm2      5.244 CV     1
 ASSI { 1532}
   (  segid "    " and resid 93   and name HG2%)
   (( segid "    " and resid 11   and name HN  ))
      6.000     4.500     0.000 peak  1532 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.224 ppm2      6.992 CV     1
 ASSI { 1533}
   (  segid "    " and resid 93   and name HG2%)
   (( segid "    " and resid 93   and name HN  ))
      6.000     4.500     0.000 peak  1533 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.218 ppm2      8.756 CV     1
 ASSI { 1534}
   (  segid "    " and resid 93   and name HG2%)
   (( segid "    " and resid 12   and name HN  ))
      6.000     4.500     0.000 peak  1534 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.218 ppm2      8.179 CV     1
 ASSI { 1535}
   (  segid "    " and resid 93   and name HG2%)
   (( segid "    " and resid 17   and name HE21))
      6.000     4.500     0.000 peak  1535 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.219 ppm2      7.711 CV     1
 ASSI { 1545}
   (  segid "    " and resid 111  and name HD2%)
   (( segid "    " and resid 112  and name HN  ))
      6.000     4.500     0.000 peak  1545 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.380 ppm2      9.767 CV     1
 ASSI { 1549}
   (  segid "    " and resid 111  and name HD2%)
   (( segid "    " and resid 111  and name HN  ))
      6.000     4.500     0.000 peak  1549 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.381 ppm2      7.657 CV     1
 ASSI { 1553}
   (  segid "    " and resid 18   and name HG2%)
   (( segid "    " and resid 17   and name HN  ))
      6.000     4.500     0.000 peak  1553 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.641 ppm2      8.143 CV     1
 ASSI { 1556}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 46   and name HN  ))
      6.000     4.500     0.000 peak  1556 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.053 ppm2      8.563 CV     1
 ASSI { 1558}
   (  segid "    " and resid 69   and name HD2%)
   (( segid "    " and resid 69   and name HN  ))
      6.000     4.500     0.000 peak  1558 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.942 ppm2      8.227 CV     1
 ASSI { 1560}
   (  segid "    " and resid 69   and name HD2%)
   (( segid "    " and resid 72   and name HD2 ))
      6.000     4.500     0.000 peak  1560 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.944 ppm2      7.233 CV     1
 ASSI { 1561}
   (  segid "    " and resid 70   and name HD2%)
   (( segid "    " and resid 74   and name HE21))
      6.000     4.500     0.000 peak  1561 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.721 ppm2      8.216 CV     1
 ASSI { 1565}
   (( segid "    " and resid 128  and name HG  ))
   (  segid "    " and resid 4    and name HD% )
      6.000     4.500     0.000 peak  1565 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.308 ppm2      6.839 CV     1
 ASSI { 1567}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 5    and name HN  ))
      6.000     4.500     0.000 peak  1567 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.016 ppm2      9.501 CV     1
 OR { 1567}
   (  segid "    " and resid 58   and name HG1%)
   (( segid "    " and resid 5    and name HN  ))
 ASSI { 1571}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 60   and name HN  ))
      6.000     4.500     0.000 peak  1571 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.012 ppm2      9.333 CV     1
 OR { 1571}
   (  segid "    " and resid 58   and name HG1%)
   (( segid "    " and resid 60   and name HN  ))
 ASSI { 1572}
   (  segid "    " and resid 58   and name HG1%)
   (( segid "    " and resid 37   and name HN  ))
      6.000     4.500     0.000 peak  1572 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.013 ppm2      9.117 CV     1
 OR { 1572}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 37   and name HN  ))
 ASSI { 1573}
   (  segid "    " and resid 69   and name HD2%)
   (( segid "    " and resid 73   and name HN  ))
      6.000     4.500     0.000 peak  1573 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.944 ppm2      9.351 CV     1
 ASSI { 1575}
   (  segid "    " and resid 94   and name HD1%)
   (( segid "    " and resid 80   and name HE22))
      6.000     4.500     0.000 peak  1575 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.871 ppm2      7.445 CV     1
 OR { 1575}
   (  segid "    " and resid 94   and name HD2%)
   (( segid "    " and resid 80   and name HE22))
 ASSI { 1583}
   (  segid "    " and resid 70   and name HD2%)
   (( segid "    " and resid 71   and name HN  ))
      6.000     4.500     0.000 peak  1583 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.721 ppm2      7.798 CV     1
 ASSI { 1587}
   (  segid "    " and resid 76   and name HD1%)
   (( segid "    " and resid 79   and name HE21))
      6.000     4.500     0.000 peak  1587 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.887 ppm2      7.780 CV     1
 ASSI { 1590}
   (  segid "    " and resid 113  and name HG2%)
   (( segid "    " and resid 112  and name HA  ))
      6.000     6.000     0.000 peak  1590 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.878 ppm2      5.266 CV     1
 ASSI { 1591}
   (  segid "    " and resid 94   and name HD1%)
   (( segid "    " and resid 95   and name HN  ))
      6.000     4.500     0.000 peak  1591 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.857 ppm2      9.184 CV     1
 OR { 1591}
   (  segid "    " and resid 94   and name HD2%)
   (( segid "    " and resid 95   and name HN  ))
 ASSI { 1597}
   (  segid "    " and resid 57   and name HB% )
   (( segid "    " and resid 57   and name HN  ))
      6.000     4.500     0.000 peak  1597 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.360 ppm2      9.503 CV     1
 ASSI { 1600}
   (  segid "    " and resid 57   and name HB% )
   (( segid "    " and resid 128  and name HN  ))
      6.000     4.500     0.000 peak  1600 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.362 ppm2      6.581 CV     1
 ASSI { 1607}
   (  segid "    " and resid 36   and name HG1%)
   (( segid "    " and resid 37   and name HN  ))
      6.000     4.500     0.000 peak  1607 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.119 ppm2      9.144 CV     1
 ASSI { 1608}
   (  segid "    " and resid 36   and name HG1%)
   (( segid "    " and resid 36   and name HN  ))
      6.000     4.500     0.000 peak  1608 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.119 ppm2      8.307 CV     1
 ASSI { 1611}
   (  segid "    " and resid 36   and name HG1%)
   (( segid "    " and resid 59   and name HN  ))
      6.000     4.500     0.000 peak  1611 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.118 ppm2      8.538 CV     1
 ASSI { 1616}
   (( segid "    " and resid 64   and name HG  ))
   (( segid "    " and resid 64   and name HN  ))
      6.000     4.500     0.000 peak  1616 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.770 ppm2      8.540 CV     1
 ASSI { 1618}
   (( segid "    " and resid 64   and name HG  ))
   (( segid "    " and resid 69   and name HN  ))
      6.000     4.500     0.000 peak  1618 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.770 ppm2      8.241 CV     1
 ASSI { 1619}
   (( segid "    " and resid 64   and name HG  ))
   (( segid "    " and resid 72   and name HD2 ))
      6.000     4.500     0.000 peak  1619 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.772 ppm2      7.236 CV     1
 ASSI { 1633}
   (( segid "    " and resid 54   and name HG  ))
   (( segid "    " and resid 158  and name HE3 ))
      6.000     4.500     0.000 peak  1633 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.244 ppm2      7.432 CV     1
 ASSI { 1635}
   (( segid "    " and resid 54   and name HG  ))
   (  segid "    " and resid 39   and name HD% )
      6.000     4.500     0.000 peak  1635 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.239 ppm2      6.969 CV     1
 ASSI { 1641}
   (  segid "    " and resid 147  and name HD2%)
   (( segid "    " and resid 147  and name HN  ))
      6.000     4.500     0.000 peak  1641 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1     -0.569 ppm2      7.441 CV     1
 ASSI { 1642}
   (  segid "    " and resid 147  and name HD2%)
   (  segid "    " and resid 152  and name HD% )
      6.000     4.500     0.000 peak  1642 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1     -0.568 ppm2      7.065 CV     1
 ASSI { 1643}
   (  segid "    " and resid 149  and name HG2%)
   (( segid "    " and resid 150  and name HN  ))
      6.000     4.500     0.000 peak  1643 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.278 ppm2      7.853 CV     1
 ASSI { 1646}
   (  segid "    " and resid 59   and name HB% )
   (( segid "    " and resid 59   and name HN  ))
      6.000     4.500     0.000 peak  1646 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.257 ppm2      8.534 CV     1
 ASSI { 1647}
   (  segid "    " and resid 59   and name HB% )
   (  segid "    " and resid 4    and name HD% )
      6.000     4.500     0.000 peak  1647 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.259 ppm2      6.839 CV     1
 ASSI { 1675}
   (  segid "    " and resid 6    and name HB% )
   (( segid "    " and resid 6    and name HN  ))
      6.000     4.500     0.000 peak  1675 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.779 ppm2     10.001 CV     1
 ASSI { 1679}
   (  segid "    " and resid 3    and name HB% )
   (( segid "    " and resid 5    and name HN  ))
      6.000     4.500     0.000 peak  1679 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.239 ppm2      9.497 CV     1
 ASSI { 1680}
   (  segid "    " and resid 113  and name HG1%)
   (  segid "    " and resid 101  and name HD% )
      6.000     6.000     0.000 peak  1680 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.183 ppm2      7.038 CV     1
 ASSI { 1683}
   (  segid "    " and resid 105  and name HG1%)
   (( segid "    " and resid 107  and name HD22))
      6.000     4.500     0.000 peak  1683 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.051 ppm2      6.806 CV     1
 OR { 1683}
   (  segid "    " and resid 105  and name HG2%)
   (( segid "    " and resid 107  and name HD22))
 ASSI { 1688}
   (( segid "    " and resid 155  and name HG  ))
   (( segid "    " and resid 155  and name HN  ))
      6.000     4.500     0.000 peak  1688 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.786 ppm2      7.695 CV     1
 ASSI { 1689}
   (( segid "    " and resid 155  and name HG  ))
   (  segid "    " and resid 40   and name HD% )
      6.000     4.500     0.000 peak  1689 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.788 ppm2      7.050 CV     1
 ASSI { 1690}
   (( segid "    " and resid 155  and name HG  ))
   (( segid "    " and resid 126  and name HD1 ))
      6.000     4.500     0.000 peak  1690 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.785 ppm2      6.732 CV     1
 ASSI { 1691}
   (( segid "    " and resid 1    and name HG21))
   (( segid "    " and resid 103  and name HN  ))
      6.000     4.500     0.000 peak  1691 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.560 ppm2      9.255 CV     1
 ASSI { 1693}
   (( segid "    " and resid 1    and name HG21))
   (( segid "    " and resid 102  and name HN  ))
      6.000     4.500     0.000 peak  1693 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.559 ppm2      8.410 CV     1
 ASSI { 1696}
   (( segid "    " and resid 1    and name HG21))
   (  segid "    " and resid 101  and name HD% )
      6.000     4.500     0.000 peak  1696 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.559 ppm2      7.046 CV     1
 ASSI { 1702}
   (  segid "    " and resid 112  and name HG2%)
   (( segid "    " and resid 107  and name HD21))
      6.000     4.500     0.000 peak  1702 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.466 ppm2      7.801 CV     1
 ASSI { 1705}
   (  segid "    " and resid 112  and name HG2%)
   (( segid "    " and resid 107  and name HA  ))
      6.000     4.500     0.000 peak  1705 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.467 ppm2      5.521 CV     1
 ASSI { 1709}
   (  segid "    " and resid 3    and name HB% )
   (( segid "    " and resid 4    and name HN  ))
      6.000     4.500     0.000 peak  1709 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.228 ppm2      8.655 CV     1
 ASSI { 1710}
   (  segid "    " and resid 3    and name HB% )
   (  segid "    " and resid 101  and name HD% )
      6.000     4.500     0.000 peak  1710 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.229 ppm2      7.036 CV     1
 ASSI { 1713}
   (  segid "    " and resid 136  and name HG2%)
   (  segid "    " and resid 137  and name HD% )
      6.000     4.500     0.000 peak  1713 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.031 ppm2      7.342 CV     1
 OR { 1713}
   (  segid "    " and resid 136  and name HG1%)
   (  segid "    " and resid 137  and name HD% )
 ASSI { 1716}
   (  segid "    " and resid 36   and name HG2%)
   (( segid "    " and resid 59   and name HN  ))
      6.000     4.500     0.000 peak  1716 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.358 ppm2      8.529 CV     1
 ASSI { 1717}
   (  segid "    " and resid 36   and name HG2%)
   (( segid "    " and resid 36   and name HN  ))
      6.000     4.500     0.000 peak  1717 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.359 ppm2      8.301 CV     1
 ASSI { 1726}
   (  segid "    " and resid 2    and name HG1%)
   (  segid "    " and resid 4    and name HD% )
      6.000     4.500     0.000 peak  1726 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.135 ppm2      6.838 CV     1
 ASSI { 1756}
   (  segid "    " and resid 132  and name HB% )
   (( segid "    " and resid 135  and name HN  ))
      6.000     4.500     0.000 peak  1756 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.020 ppm2      7.228 CV     1
 ASSI { 1760}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 95   and name HN  ))
      6.000     4.500     0.000 peak  1760 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.789 ppm2      9.215 CV     1
 ASSI { 1771}
   (  segid "    " and resid 62   and name HG2%)
   (  segid "    " and resid 101  and name HD% )
      6.000     4.500     0.000 peak  1771 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.112 ppm2      7.049 CV     1
 ASSI { 1774}
   (  segid "    " and resid 62   and name HG2%)
   (( segid "    " and resid 62   and name HN  ))
      6.000     4.500     0.000 peak  1774 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.113 ppm2      9.227 CV     1
 ASSI { 1775}
   (  segid "    " and resid 106  and name HG2%)
   (( segid "    " and resid 106  and name HN  ))
      6.000     4.500     0.000 peak  1775 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.946 ppm2      9.394 CV     1
 ASSI { 1776}
   (  segid "    " and resid 106  and name HG2%)
   (( segid "    " and resid 107  and name HN  ))
      6.000     4.500     0.000 peak  1776 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.945 ppm2      9.217 CV     1
 ASSI { 1780}
   (  segid "    " and resid 131  and name HG2%)
   (( segid "    " and resid 37   and name HN  ))
      6.000     4.500     0.000 peak  1780 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.845 ppm2      9.146 CV     1
 ASSI { 1784}
   (  segid "    " and resid 131  and name HG2%)
   (( segid "    " and resid 131  and name HN  ))
      6.000     4.500     0.000 peak  1784 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.843 ppm2      6.947 CV     1
 ASSI { 1806}
   (  segid "    " and resid 76   and name HG2%)
   (( segid "    " and resid 77   and name HN  ))
      6.000     4.500     0.000 peak  1806 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.834 ppm2      8.042 CV     1
 ASSI { 1808}
   (  segid "    " and resid 76   and name HG2%)
   (( segid "    " and resid 80   and name HN  ))
      6.000     4.500     0.000 peak  1808 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.828 ppm2      7.656 CV     1
 ASSI { 1810}
   (  segid "    " and resid 146  and name HG2%)
   (( segid "    " and resid 147  and name HN  ))
      6.000     4.500     0.000 peak  1810 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.752 ppm2      7.438 CV     1
 ASSI { 1812}
   (  segid "    " and resid 11   and name HD2%)
   (( segid "    " and resid 11   and name HN  ))
      6.000     4.500     0.000 peak  1812 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.750 ppm2      6.980 CV     1
 OR { 1812}
   (  segid "    " and resid 11   and name HD1%)
   (( segid "    " and resid 11   and name HN  ))
 ASSI { 1819}
   (  segid "    " and resid 65   and name HB% )
   (( segid "    " and resid 67   and name HN  ))
      6.000     4.500     0.000 peak  1819 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.457 ppm2      8.733 CV     1
 ASSI { 1820}
   (  segid "    " and resid 65   and name HB% )
   (( segid "    " and resid 65   and name HN  ))
      6.000     4.500     0.000 peak  1820 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.461 ppm2      8.401 CV     1
 ASSI { 1823}
   (  segid "    " and resid 65   and name HB% )
   (( segid "    " and resid 68   and name HN  ))
      6.000     4.500     0.000 peak  1823 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.457 ppm2      6.882 CV     1
 ASSI { 1825}
   (  segid "    " and resid 5    and name HG2%)
   (( segid "    " and resid 6    and name HN  ))
      6.000     4.500     0.000 peak  1825 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.863 ppm2     10.002 CV     1
 ASSI { 1830}
   (  segid "    " and resid 76   and name HG2%)
   (( segid "    " and resid 80   and name HE22))
      6.000     4.500     0.000 peak  1830 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.826 ppm2      7.434 CV     1
 ASSI { 1832}
   (  segid "    " and resid 33   and name HG2%)
   (( segid "    " and resid 34   and name HN  ))
      6.000     4.500     0.000 peak  1832 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.780 ppm2      9.180 CV     1
 ASSI { 1833}
   (  segid "    " and resid 33   and name HG2%)
   (( segid "    " and resid 59   and name HN  ))
      6.000     4.500     0.000 peak  1833 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.780 ppm2      8.535 CV     1
 ASSI { 1834}
   (  segid "    " and resid 33   and name HG2%)
   (( segid "    " and resid 36   and name HN  ))
      6.000     4.500     0.000 peak  1834 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.780 ppm2      8.301 CV     1
 ASSI { 1835}
   (  segid "    " and resid 33   and name HG2%)
   (( segid "    " and resid 35   and name HN  ))
      6.000     4.500     0.000 peak  1835 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.779 ppm2      7.339 CV     1
 ASSI { 1846}
   (  segid "    " and resid 20   and name HB% )
   (( segid "    " and resid 21   and name HN  ))
      6.000     4.500     0.000 peak  1846 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.452 ppm2      8.478 CV     1
 ASSI { 1847}
   (  segid "    " and resid 20   and name HB% )
   (( segid "    " and resid 20   and name HN  ))
      6.000     4.500     0.000 peak  1847 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.452 ppm2      8.139 CV     1
 ASSI { 1850}
   (  segid "    " and resid 28   and name HG2%)
   (( segid "    " and resid 72   and name HN  ))
      6.000     4.500     0.000 peak  1850 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.604 ppm2      7.805 CV     1
 ASSI { 1854}
   (  segid "    " and resid 12   and name HB% )
   (( segid "    " and resid 12   and name HN  ))
      6.000     4.500     0.000 peak  1854 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.251 ppm2      8.157 CV     1
 ASSI { 1855}
   (  segid "    " and resid 12   and name HB% )
   (( segid "    " and resid 17   and name HE21))
      6.000     4.500     0.000 peak  1855 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.249 ppm2      7.720 CV     1
 ASSI { 1856}
   (  segid "    " and resid 12   and name HB% )
   (( segid "    " and resid 17   and name HE22))
      6.000     4.500     0.000 peak  1856 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.249 ppm2      6.852 CV     1
 ASSI { 1869}
   (  segid "    " and resid 131  and name HD1%)
   (( segid "    " and resid 59   and name HN  ))
      6.000     4.500     0.000 peak  1869 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.886 ppm2      8.533 CV     1
 ASSI { 1870}
   (  segid "    " and resid 131  and name HD1%)
   (( segid "    " and resid 132  and name HN  ))
      6.000     4.500     0.000 peak  1870 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.887 ppm2      8.315 CV     1
 ASSI { 1872}
   (  segid "    " and resid 131  and name HD1%)
   (  segid "    " and resid 4    and name HD% )
      6.000     4.500     0.000 peak  1872 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.885 ppm2      6.838 CV     1
 ASSI { 1874}
   (  segid "    " and resid 131  and name HD1%)
   (( segid "    " and resid 57   and name HA  ))
      6.000     4.500     0.000 peak  1874 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.886 ppm2      5.660 CV     1
 ASSI { 1879}
   (  segid "    " and resid 28   and name HD1%)
   (( segid "    " and resid 28   and name HN  ))
      6.000     4.500     0.000 peak  1879 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.813 ppm2      7.173 CV     1
 ASSI { 1880}
   (  segid "    " and resid 7    and name HD1%)
   (( segid "    " and resid 7    and name HN  ))
      6.000     4.500     0.000 peak  1880 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.684 ppm2      8.979 CV     1
 ASSI { 1888}
   (  segid "    " and resid 7    and name HD1%)
   (( segid "    " and resid 58   and name HN  ))
      6.000     4.500     0.000 peak  1888 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.687 ppm2      9.096 CV     1
 ASSI { 1889}
   (  segid "    " and resid 7    and name HD1%)
   (( segid "    " and resid 8    and name HN  ))
      6.000     4.500     0.000 peak  1889 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.685 ppm2      8.727 CV     1
 ASSI { 1893}
   (  segid "    " and resid 106  and name HD1%)
   (( segid "    " and resid 67   and name HN  ))
      6.000     4.500     0.000 peak  1893 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.648 ppm2      8.730 CV     1
 ASSI { 1898}
   (  segid "    " and resid 33   and name HD1%)
   (( segid "    " and resid 25   and name HN  ))
      6.000     4.500     0.000 peak  1898 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.912 ppm2      9.338 CV     1
 ASSI { 1899}
   (  segid "    " and resid 33   and name HD1%)
   (( segid "    " and resid 34   and name HN  ))
      6.000     4.500     0.000 peak  1899 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.910 ppm2      9.182 CV     1
 ASSI { 1900}
   (  segid "    " and resid 33   and name HD1%)
   (( segid "    " and resid 26   and name HN  ))
      6.000     4.500     0.000 peak  1900 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.913 ppm2      7.498 CV     1
 ASSI { 1902}
   (  segid "    " and resid 98   and name HG2%)
   (( segid "    " and resid 99   and name HN  ))
      6.000     4.500     0.000 peak  1902 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.821 ppm2      9.596 CV     1
 ASSI { 1905}
   (  segid "    " and resid 98   and name HG2%)
   (  segid "    " and resid 101  and name HD% )
      6.000     4.500     0.000 peak  1905 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.816 ppm2      7.049 CV     1
 ASSI { 1907}
   (( segid "    " and resid 112  and name HB  ))
   (  segid "    " and resid 112  and name HG2%)
      6.000     4.500     0.000 peak  1907 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.375 ppm2      1.469 CV     1
 ASSI { 1909}
   (( segid "    " and resid 62   and name HB  ))
   (( segid "    " and resid 64   and name HB1 ))
      6.000     4.500     0.000 peak  1909 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.833 ppm2      1.506 CV     1
 ASSI { 1911}
   (( segid "    " and resid 62   and name HB  ))
   (  segid "    " and resid 62   and name HG2%)
      6.000     4.500     0.000 peak  1911 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.835 ppm2      1.110 CV     1
 ASSI { 1912}
   (( segid "    " and resid 62   and name HB  ))
   (  segid "    " and resid 60   and name HD1%)
      6.000     4.500     0.000 peak  1912 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.834 ppm2      0.734 CV     1
 ASSI { 1915}
   (( segid "    " and resid 35   and name HB  ))
   (( segid "    " and resid 131  and name HB  ))
      6.000     4.500     0.000 peak  1915 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.120 ppm2      2.146 CV     1
 ASSI { 1916}
   (( segid "    " and resid 35   and name HB  ))
   (( segid "    " and resid 34   and name HB1 ))
      6.000     4.500     0.000 peak  1916 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.119 ppm2      1.667 CV     1
 ASSI { 1919}
   (( segid "    " and resid 35   and name HB  ))
   (  segid "    " and resid 35   and name HG2%)
      6.000     4.500     0.000 peak  1919 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.122 ppm2      1.272 CV     1
 ASSI { 1922}
   (( segid "    " and resid 35   and name HB  ))
   (  segid "    " and resid 131  and name HG2%)
      6.000     4.500     0.000 peak  1922 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.122 ppm2      0.855 CV     1
 ASSI { 1923}
   (( segid "    " and resid 149  and name HB  ))
   (( segid "    " and resid 149  and name HA  ))
      6.000     4.500     0.000 peak  1923 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.197 ppm2      4.035 CV     1
 ASSI { 1925}
   (( segid "    " and resid 149  and name HB  ))
   (( segid "    " and resid 150  and name HG2 ))
      6.000     4.500     0.000 peak  1925 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.200 ppm2      1.433 CV     1
 ASSI { 1926}
   (( segid "    " and resid 149  and name HB  ))
   (  segid "    " and resid 149  and name HG2%)
      6.000     4.500     0.000 peak  1926 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.197 ppm2      1.275 CV     1
 ASSI { 1927}
   (( segid "    " and resid 1    and name HB  ))
   (( segid "    " and resid 66   and name HD1 ))
      6.000     4.500     0.000 peak  1927 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.556 ppm2      3.414 CV     1
 ASSI { 1928}
   (( segid "    " and resid 1    and name HB  ))
   (( segid "    " and resid 1    and name HG21))
      6.000     4.500     0.000 peak  1928 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.555 ppm2      0.558 CV     1
 ASSI { 1929}
   (( segid "    " and resid 1    and name HB  ))
   (  segid "    " and resid 62   and name HG2%)
      6.000     4.500     0.000 peak  1929 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.551 ppm2      1.112 CV     1
 ASSI { 1930}
   (( segid "    " and resid 42   and name HB  ))
   (( segid "    " and resid 43   and name HD2 ))
      6.000     4.500     0.000 peak  1930 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.376 ppm2      3.828 CV     1
 OR { 1930}
   (( segid "    " and resid 42   and name HB  ))
   (( segid "    " and resid 43   and name HD1 ))
 ASSI { 1931}
   (( segid "    " and resid 42   and name HB  ))
   (  segid "    " and resid 42   and name HG2%)
      6.000     4.500     0.000 peak  1931 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.376 ppm2      1.442 CV     1
 ASSI { 1932}
   (( segid "    " and resid 93   and name HB  ))
   (( segid "    " and resid 17   and name HG1 ))
      6.000     4.500     0.000 peak  1932 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.123 ppm2      2.641 CV     1
 OR { 1932}
   (( segid "    " and resid 93   and name HB  ))
   (( segid "    " and resid 17   and name HG2 ))
 ASSI { 1933}
   (( segid "    " and resid 93   and name HB  ))
   (  segid "    " and resid 93   and name HG2%)
      6.000     4.500     0.000 peak  1933 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.120 ppm2      1.217 CV     1
 ASSI { 1937}
   (( segid "    " and resid 31   and name HB1 ))
   (( segid "    " and resid 62   and name HB  ))
      6.000     4.500     0.000 peak  1937 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.598 ppm2      3.835 CV     1
 OR { 1937}
   (( segid "    " and resid 31   and name HB2 ))
   (( segid "    " and resid 62   and name HB  ))
 ASSI { 1938}
   (( segid "    " and resid 31   and name HB1 ))
   (( segid "    " and resid 60   and name HG  ))
      6.000     4.500     0.000 peak  1938 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.594 ppm2      1.291 CV     1
 OR { 1938}
   (( segid "    " and resid 31   and name HB2 ))
   (( segid "    " and resid 60   and name HG  ))
 ASSI { 1939}
   (( segid "    " and resid 31   and name HB1 ))
   (  segid "    " and resid 62   and name HG2%)
      6.000     4.500     0.000 peak  1939 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.588 ppm2      1.101 CV     1
 OR { 1939}
   (( segid "    " and resid 31   and name HB2 ))
   (  segid "    " and resid 62   and name HG2%)
 ASSI { 1940}
   (( segid "    " and resid 31   and name HB1 ))
   (  segid "    " and resid 60   and name HD2%)
      6.000     4.500     0.000 peak  1940 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.591 ppm2      0.705 CV     1
 OR { 1940}
   (( segid "    " and resid 31   and name HB2 ))
   (  segid "    " and resid 60   and name HD2%)
 ASSI { 1944}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 21   and name HA  ))
      6.000     4.500     0.000 peak  1944 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.431 ppm2      4.131 CV     1
 ASSI { 1945}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 17   and name HB2 ))
      6.000     4.500     0.000 peak  1945 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.432 ppm2      2.151 CV     1
 OR { 1945}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 17   and name HB1 ))
 ASSI { 1946}
   (( segid "    " and resid 18   and name HA  ))
   (  segid "    " and resid 21   and name HB% )
      6.000     4.500     0.000 peak  1946 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.432 ppm2      1.553 CV     1
 ASSI { 1949}
   (( segid "    " and resid 18   and name HA  ))
   (  segid "    " and resid 18   and name HG2%)
      6.000     4.500     0.000 peak  1949 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.432 ppm2      0.641 CV     1
 ASSI { 1950}
   (( segid "    " and resid 18   and name HA  ))
   (  segid "    " and resid 18   and name HG1%)
      6.000     4.500     0.000 peak  1950 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.431 ppm2      0.237 CV     1
 ASSI { 1951}
   (( segid "    " and resid 73   and name HB  ))
   (( segid "    " and resid 73   and name HA  ))
      6.000     4.500     0.000 peak  1951 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.960 ppm2      4.320 CV     1
 ASSI { 1952}
   (( segid "    " and resid 73   and name HB  ))
   (( segid "    " and resid 76   and name HG11))
      6.000     4.500     0.000 peak  1952 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.959 ppm2      2.134 CV     1
 OR { 1952}
   (( segid "    " and resid 73   and name HB  ))
   (( segid "    " and resid 76   and name HG12))
 ASSI { 1954}
   (( segid "    " and resid 73   and name HB  ))
   (  segid "    " and resid 73   and name HG2%)
      6.000     4.500     0.000 peak  1954 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.964 ppm2      1.092 CV     1
 ASSI { 1958}
   (( segid "    " and resid 73   and name HA  ))
   (  segid "    " and resid 73   and name HG2%)
      6.000     4.500     0.000 peak  1958 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.311 ppm2      1.089 CV     1
 ASSI { 1960}
   (( segid "    " and resid 73   and name HA  ))
   (( segid "    " and resid 96   and name HB1 ))
      6.000     4.500     0.000 peak  1960 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.305 ppm2      0.945 CV     1
 ASSI { 1966}
   (( segid "    " and resid 66   and name HA  ))
   (( segid "    " and resid 69   and name HB1 ))
      6.000     4.500     0.000 peak  1966 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.362 ppm2      2.211 CV     1
 ASSI { 1967}
   (( segid "    " and resid 66   and name HA  ))
   (( segid "    " and resid 66   and name HG1 ))
      6.000     4.500     0.000 peak  1967 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.363 ppm2      1.740 CV     1
 ASSI { 1968}
   (( segid "    " and resid 66   and name HA  ))
   (  segid "    " and resid 65   and name HB% )
      6.000     4.500     0.000 peak  1968 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.362 ppm2      1.443 CV     1
 ASSI { 1969}
   (( segid "    " and resid 66   and name HA  ))
   (  segid "    " and resid 111  and name HD2%)
      6.000     4.500     0.000 peak  1969 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.356 ppm2      0.362 CV     1
 ASSI { 1974}
   (( segid "    " and resid 66   and name HA  ))
   (( segid "    " and resid 66   and name HB2 ))
      6.000     4.500     0.000 peak  1974 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.360 ppm2      1.290 CV     1
 ASSI { 1975}
   (( segid "    " and resid 66   and name HA  ))
   (( segid "    " and resid 66   and name HG2 ))
      6.000     4.500     0.000 peak  1975 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.362 ppm2      0.782 CV     1
 ASSI { 1976}
   (( segid "    " and resid 66   and name HA  ))
   (( segid "    " and resid 66   and name HB1 ))
      6.000     4.500     0.000 peak  1976 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.360 ppm2      0.557 CV     1
 ASSI { 1977}
   (( segid "    " and resid 66   and name HA  ))
   (( segid "    " and resid 69   and name HG  ))
      6.000     4.500     0.000 peak  1977 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.357 ppm2      1.611 CV     1
 ASSI { 1979}
   (( segid "    " and resid 127  and name HA  ))
   (( segid "    " and resid 127  and name HG1 ))
      6.000     4.500     0.000 peak  1979 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.548 ppm2      1.559 CV     1
 ASSI { 1980}
   (( segid "    " and resid 127  and name HA  ))
   (( segid "    " and resid 127  and name HB2 ))
      6.000     4.500     0.000 peak  1980 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.540 ppm2      2.700 CV     1
 ASSI { 1981}
   (( segid "    " and resid 138  and name HA  ))
   (( segid "    " and resid 138  and name HD1 ))
      6.000     4.500     0.000 peak  1981 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.501 ppm2      4.039 CV     1
 OR { 1981}
   (( segid "    " and resid 138  and name HA  ))
   (( segid "    " and resid 138  and name HD2 ))
 ASSI { 1983}
   (( segid "    " and resid 37   and name HB2 ))
   (( segid "    " and resid 37   and name HA  ))
      6.000     4.500     0.000 peak  1983 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.089 ppm2      4.266 CV     1
 ASSI { 1984}
   (( segid "    " and resid 37   and name HB2 ))
   (  segid "    " and resid 57   and name HB% )
      6.000     4.500     0.000 peak  1984 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.089 ppm2      1.373 CV     1
 ASSI { 1985}
   (( segid "    " and resid 37   and name HB2 ))
   (( segid "    " and resid 127  and name HB2 ))
      6.000     4.500     0.000 peak  1985 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.084 ppm2      2.681 CV     1
 ASSI { 1986}
   (( segid "    " and resid 37   and name HB2 ))
   (  segid "    " and resid 131  and name HG2%)
      6.000     4.500     0.000 peak  1986 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.083 ppm2      0.852 CV     1
 ASSI { 1987}
   (( segid "    " and resid 9    and name HB1 ))
   (( segid "    " and resid 14   and name HB1 ))
      6.000     4.500     0.000 peak  1987 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.894 ppm2      1.889 CV     1
 ASSI { 1988}
   (( segid "    " and resid 9    and name HB1 ))
   (( segid "    " and resid 9    and name HB2 ))
      6.000     4.500     0.000 peak  1988 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.880 ppm2      3.095 CV     1
 ASSI { 1989}
   (( segid "    " and resid 9    and name HB1 ))
   (( segid "    " and resid 17   and name HB2 ))
      6.000     4.500     0.000 peak  1989 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.874 ppm2      2.161 CV     1
 OR { 1989}
   (( segid "    " and resid 9    and name HB1 ))
   (( segid "    " and resid 17   and name HB1 ))
 ASSI { 1990}
   (( segid "    " and resid 9    and name HB1 ))
   (  segid "    " and resid 94   and name HD1%)
      6.000     4.500     0.000 peak  1990 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.874 ppm2      0.872 CV     1
 OR { 1990}
   (( segid "    " and resid 9    and name HB1 ))
   (  segid "    " and resid 94   and name HD2%)
 ASSI { 1991}
   (( segid "    " and resid 9    and name HB1 ))
   (  segid "    " and resid 18   and name HG2%)
      6.000     4.500     0.000 peak  1991 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.872 ppm2      0.637 CV     1
 ASSI { 1992}
   (( segid "    " and resid 9    and name HB1 ))
   (( segid "    " and resid 9    and name HA  ))
      6.000     4.500     0.000 peak  1992 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.864 ppm2      4.154 CV     1
 ASSI { 1994}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 79   and name HG1 ))
      6.000     4.500     0.000 peak  1994 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.596 ppm2      2.667 CV     1
 ASSI { 1995}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 75   and name HB2 ))
      6.000     4.500     0.000 peak  1995 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.599 ppm2      2.314 CV     1
 ASSI { 1996}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 76   and name HG12))
      6.000     4.500     0.000 peak  1996 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.599 ppm2      2.121 CV     1
 OR { 1996}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 76   and name HG11))
 ASSI { 1997}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 76   and name HB  ))
      6.000     4.500     0.000 peak  1997 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.598 ppm2      1.851 CV     1
 ASSI { 1998}
   (( segid "    " and resid 76   and name HA  ))
   (  segid "    " and resid 76   and name HG2%)
      6.000     4.500     0.000 peak  1998 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.601 ppm2      0.847 CV     1
 ASSI { 2001}
   (( segid "    " and resid 9    and name HB2 ))
   (( segid "    " and resid 9    and name HA  ))
      6.000     4.500     0.000 peak  2001 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.100 ppm2      4.159 CV     1
 ASSI { 2002}
   (( segid "    " and resid 9    and name HB2 ))
   (( segid "    " and resid 17   and name HG1 ))
      6.000     4.500     0.000 peak  2002 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.106 ppm2      2.604 CV     1
 OR { 2002}
   (( segid "    " and resid 9    and name HB2 ))
   (( segid "    " and resid 17   and name HG2 ))
 ASSI { 2003}
   (( segid "    " and resid 9    and name HB2 ))
   (  segid "    " and resid 94   and name HD1%)
      6.000     4.500     0.000 peak  2003 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.103 ppm2      0.888 CV     1
 OR { 2003}
   (( segid "    " and resid 9    and name HB2 ))
   (  segid "    " and resid 94   and name HD2%)
 ASSI { 2006}
   (( segid "    " and resid 9    and name HB2 ))
   (( segid "    " and resid 17   and name HB2 ))
      6.000     4.500     0.000 peak  2006 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.091 ppm2      2.168 CV     1
 OR { 2006}
   (( segid "    " and resid 9    and name HB2 ))
   (( segid "    " and resid 17   and name HB1 ))
 ASSI { 2007}
   (( segid "    " and resid 9    and name HB2 ))
   (( segid "    " and resid 14   and name HB1 ))
      6.000     4.500     0.000 peak  2007 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.096 ppm2      1.889 CV     1
 ASSI { 2009}
   (( segid "    " and resid 9    and name HB2 ))
   (( segid "    " and resid 14   and name HB2 ))
      6.000     4.500     0.000 peak  2009 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.096 ppm2      1.161 CV     1
 ASSI { 2010}
   (( segid "    " and resid 9    and name HB2 ))
   (  segid "    " and resid 18   and name HG2%)
      6.000     4.500     0.000 peak  2010 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.093 ppm2      0.637 CV     1
 ASSI { 2012}
   (( segid "    " and resid 138  and name HA  ))
   (( segid "    " and resid 138  and name HB1 ))
      6.000     4.500     0.000 peak  2012 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.497 ppm2      2.413 CV     1
 ASSI { 2013}
   (( segid "    " and resid 138  and name HA  ))
   (( segid "    " and resid 138  and name HG1 ))
      6.000     4.500     0.000 peak  2013 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.497 ppm2      1.996 CV     1
 OR { 2013}
   (( segid "    " and resid 138  and name HA  ))
   (( segid "    " and resid 138  and name HG2 ))
 ASSI { 2014}
   (( segid "    " and resid 138  and name HA  ))
   (( segid "    " and resid 138  and name HB2 ))
      6.000     4.500     0.000 peak  2014 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.496 ppm2      1.844 CV     1
 ASSI { 2015}
   (( segid "    " and resid 146  and name HA  ))
   (( segid "    " and resid 145  and name HG2 ))
      6.000     4.500     0.000 peak  2015 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.667 ppm2      2.485 CV     1
 ASSI { 2016}
   (( segid "    " and resid 146  and name HA  ))
   (( segid "    " and resid 149  and name HB  ))
      6.000     4.500     0.000 peak  2016 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.657 ppm2      4.202 CV     1
 ASSI { 2017}
   (( segid "    " and resid 146  and name HA  ))
   (( segid "    " and resid 146  and name HB  ))
      6.000     4.500     0.000 peak  2017 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.655 ppm2      1.795 CV     1
 ASSI { 2018}
   (( segid "    " and resid 146  and name HA  ))
   (( segid "    " and resid 146  and name HG11))
      6.000     4.500     0.000 peak  2018 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.656 ppm2      1.602 CV     1
 ASSI { 2020}
   (( segid "    " and resid 146  and name HA  ))
   (( segid "    " and resid 146  and name HG12))
      6.000     4.500     0.000 peak  2020 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.654 ppm2      0.978 CV     1
 ASSI { 2021}
   (( segid "    " and resid 146  and name HA  ))
   (  segid "    " and resid 146  and name HG2%)
      6.000     4.500     0.000 peak  2021 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.654 ppm2      0.748 CV     1
 ASSI { 2023}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 14   and name HG1 ))
      6.000     4.500     0.000 peak  2023 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.315 ppm2      1.434 CV     1
 ASSI { 2024}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 14   and name HB2 ))
      6.000     4.500     0.000 peak  2024 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.316 ppm2      1.145 CV     1
 ASSI { 2026}
   (( segid "    " and resid 146  and name HA  ))
   (( segid "    " and resid 119  and name HA  ))
      6.000     4.500     0.000 peak  2026 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.650 ppm2      3.790 CV     1
 ASSI { 2028}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 14   and name HD1 ))
      6.000     4.500     0.000 peak  2028 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.328 ppm2      3.716 CV     1
 ASSI { 2029}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 17   and name HG1 ))
      6.000     4.500     0.000 peak  2029 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.326 ppm2      2.648 CV     1
 OR { 2029}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 17   and name HG2 ))
 ASSI { 2030}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 9    and name HB1 ))
      6.000     4.500     0.000 peak  2030 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.317 ppm2      3.884 CV     1
 ASSI { 2031}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 9    and name HB2 ))
      6.000     4.500     0.000 peak  2031 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.314 ppm2      3.087 CV     1
 ASSI { 2032}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 14   and name HB1 ))
      6.000     4.500     0.000 peak  2032 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.314 ppm2      1.873 CV     1
 ASSI { 2033}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 54   and name HB1 ))
      6.000     4.500     0.000 peak  2033 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.316 ppm2      0.957 CV     1
 ASSI { 2034}
   (( segid "    " and resid 14   and name HA  ))
   (  segid "    " and resid 18   and name HG2%)
      6.000     4.500     0.000 peak  2034 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.315 ppm2      0.639 CV     1
 ASSI { 2035}
   (( segid "    " and resid 133  and name HA  ))
   (( segid "    " and resid 129  and name HA  ))
      6.000     4.500     0.000 peak  2035 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.121 ppm2      3.871 CV     1
 ASSI { 2036}
   (( segid "    " and resid 133  and name HA  ))
   (( segid "    " and resid 133  and name HD1 ))
      6.000     4.500     0.000 peak  2036 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.122 ppm2      3.445 CV     1
 ASSI { 2038}
   (( segid "    " and resid 133  and name HA  ))
   (( segid "    " and resid 133  and name HB2 ))
      6.000     4.500     0.000 peak  2038 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.120 ppm2      1.601 CV     1
 ASSI { 2040}
   (( segid "    " and resid 133  and name HA  ))
   (( segid "    " and resid 143  and name HG  ))
      6.000     4.500     0.000 peak  2040 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.121 ppm2      0.981 CV     1
 ASSI { 2045}
   (( segid "    " and resid 149  and name HA  ))
   (  segid "    " and resid 149  and name HG2%)
      6.000     4.500     0.000 peak  2045 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.022 ppm2      1.279 CV     1
 ASSI { 2051}
   (( segid "    " and resid 133  and name HA  ))
   (( segid "    " and resid 133  and name HD2 ))
      6.000     4.500     0.000 peak  2051 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.123 ppm2      3.126 CV     1
 ASSI { 2052}
   (( segid "    " and resid 63   and name HB2 ))
   (( segid "    " and resid 30   and name HB1 ))
      6.000     4.500     0.000 peak  2052 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.099 ppm2      2.418 CV     1
 OR { 2052}
   (( segid "    " and resid 63   and name HB1 ))
   (( segid "    " and resid 30   and name HB1 ))
 ASSI { 2055}
   (( segid "    " and resid 93   and name HA  ))
   (( segid "    " and resid 10   and name HB1 ))
      6.000     4.500     0.000 peak  2055 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.047 ppm2      2.417 CV     1
 ASSI { 2057}
   (( segid "    " and resid 47   and name HA  ))
   (( segid "    " and resid 47   and name HB2 ))
      6.000     4.500     0.000 peak  2057 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.479 ppm2      2.448 CV     1
 ASSI { 2059}
   (( segid "    " and resid 47   and name HA  ))
   (( segid "    " and resid 47   and name HG2 ))
      6.000     4.500     0.000 peak  2059 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.477 ppm2      2.019 CV     1
 ASSI { 2060}
   (( segid "    " and resid 98   and name HA  ))
   (( segid "    " and resid 98   and name HG11))
      6.000     4.500     0.000 peak  2060 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.176 ppm2      0.985 CV     1
 ASSI { 2064}
   (( segid "    " and resid 63   and name HB2 ))
   (( segid "    " and resid 30   and name HB2 ))
      6.000     4.500     0.000 peak  2064 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.096 ppm2      2.008 CV     1
 OR { 2064}
   (( segid "    " and resid 63   and name HB1 ))
   (( segid "    " and resid 30   and name HB2 ))
 ASSI { 2065}
   (( segid "    " and resid 63   and name HB2 ))
   (( segid "    " and resid 64   and name HB1 ))
      6.000     4.500     0.000 peak  2065 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.066 ppm2      1.498 CV     1
 OR { 2065}
   (( segid "    " and resid 63   and name HB1 ))
   (( segid "    " and resid 64   and name HB1 ))
 ASSI { 2067}
   (( segid "    " and resid 93   and name HA  ))
   (( segid "    " and resid 9    and name HB1 ))
      6.000     4.500     0.000 peak  2067 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.041 ppm2      3.907 CV     1
 ASSI { 2068}
   (( segid "    " and resid 93   and name HA  ))
   (( segid "    " and resid 92   and name HD2 ))
      6.000     4.500     0.000 peak  2068 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.033 ppm2      3.554 CV     1
 ASSI { 2069}
   (( segid "    " and resid 93   and name HA  ))
   (( segid "    " and resid 17   and name HG1 ))
      6.000     4.500     0.000 peak  2069 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.027 ppm2      2.642 CV     1
 ASSI { 2070}
   (( segid "    " and resid 93   and name HA  ))
   (  segid "    " and resid 11   and name HD1%)
      6.000     4.500     0.000 peak  2070 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.030 ppm2      0.731 CV     1
 OR { 2070}
   (( segid "    " and resid 93   and name HA  ))
   (  segid "    " and resid 11   and name HD2%)
 ASSI { 2071}
   (( segid "    " and resid 93   and name HA  ))
   (  segid "    " and resid 93   and name HG2%)
      6.000     4.500     0.000 peak  2071 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.014 ppm2      1.221 CV     1
 ASSI { 2072}
   (( segid "    " and resid 93   and name HA  ))
   (( segid "    " and resid 11   and name HB2 ))
      6.000     4.500     0.000 peak  2072 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.019 ppm2      0.959 CV     1
 ASSI { 2074}
   (( segid "    " and resid 29   and name HA  ))
   (( segid "    " and resid 30   and name HA  ))
      6.000     4.500     0.000 peak  2074 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.344 ppm2      3.921 CV     1
 ASSI { 2075}
   (( segid "    " and resid 29   and name HA  ))
   (( segid "    " and resid 29   and name HD2 ))
      6.000     4.500     0.000 peak  2075 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.343 ppm2      3.662 CV     1
 ASSI { 2076}
   (( segid "    " and resid 29   and name HA  ))
   (( segid "    " and resid 29   and name HB2 ))
      6.000     4.500     0.000 peak  2076 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.341 ppm2      2.397 CV     1
 ASSI { 2077}
   (( segid "    " and resid 29   and name HA  ))
   (( segid "    " and resid 29   and name HG2 ))
      6.000     4.500     0.000 peak  2077 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.341 ppm2      2.064 CV     1
 ASSI { 2078}
   (( segid "    " and resid 29   and name HA  ))
   (( segid "    " and resid 29   and name HB1 ))
      6.000     4.500     0.000 peak  2078 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.342 ppm2      1.908 CV     1
 ASSI { 2079}
   (( segid "    " and resid 98   and name HA  ))
   (( segid "    " and resid 99   and name HB1 ))
      6.000     4.500     0.000 peak  2079 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.207 ppm2      2.159 CV     1
 ASSI { 2080}
   (( segid "    " and resid 44   and name HA  ))
   (( segid "    " and resid 44   and name HB1 ))
      6.000     4.500     0.000 peak  2080 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.209 ppm2      1.930 CV     1
 OR { 2080}
   (( segid "    " and resid 44   and name HA  ))
   (( segid "    " and resid 44   and name HB2 ))
 ASSI { 2081}
   (( segid "    " and resid 98   and name HA  ))
   (( segid "    " and resid 5    and name HG12))
      6.000     4.500     0.000 peak  2081 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.198 ppm2      1.593 CV     1
 OR { 2081}
   (( segid "    " and resid 98   and name HA  ))
   (( segid "    " and resid 5    and name HG11))
 ASSI { 2084}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 33   and name HG12))
      6.000     4.500     0.000 peak  2084 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.898 ppm2      1.591 CV     1
 OR { 2084}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 33   and name HG11))
 ASSI { 2087}
   (( segid "    " and resid 2    and name HA  ))
   (  segid "    " and resid 3    and name HB% )
      6.000     4.500     0.000 peak  2087 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.233 ppm2      1.238 CV     1
 ASSI { 2088}
   (( segid "    " and resid 2    and name HA  ))
   (  segid "    " and resid 2    and name HG2%)
      6.000     4.500     0.000 peak  2088 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.231 ppm2      0.777 CV     1
 ASSI { 2089}
   (( segid "    " and resid 2    and name HA  ))
   (  segid "    " and resid 2    and name HG1%)
      6.000     4.500     0.000 peak  2089 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.231 ppm2      0.131 CV     1
 ASSI { 2090}
   (( segid "    " and resid 2    and name HA  ))
   (( segid "    " and resid 2    and name HB  ))
      6.000     4.500     0.000 peak  2090 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.226 ppm2      1.761 CV     1
 ASSI { 2091}
   (( segid "    " and resid 33   and name HA  ))
   (  segid "    " and resid 58   and name HG2%)
      6.000     4.500     0.000 peak  2091 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.895 ppm2      1.004 CV     1
 OR { 2091}
   (( segid "    " and resid 33   and name HA  ))
   (  segid "    " and resid 58   and name HG1%)
 ASSI { 2092}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 51   and name HB1 ))
      6.000     4.500     0.000 peak  2092 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.456 ppm2      2.446 CV     1
 ASSI { 2093}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 51   and name HB2 ))
      6.000     4.500     0.000 peak  2093 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.451 ppm2      2.146 CV     1
 OR { 2093}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 51   and name HG1 ))
 ASSI { 2094}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 51   and name HG2 ))
      6.000     4.500     0.000 peak  2094 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.450 ppm2      1.872 CV     1
 ASSI { 2096}
   (( segid "    " and resid 1    and name HA  ))
   (( segid "    " and resid 2    and name HB  ))
      6.000     4.500     0.000 peak  2096 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.637 ppm2      1.763 CV     1
 ASSI { 2097}
   (( segid "    " and resid 1    and name HA  ))
   (  segid "    " and resid 2    and name HG2%)
      6.000     4.500     0.000 peak  2097 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.637 ppm2      0.785 CV     1
 ASSI { 2098}
   (( segid "    " and resid 1    and name HA  ))
   (( segid "    " and resid 1    and name HG21))
      6.000     4.500     0.000 peak  2098 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.638 ppm2      0.558 CV     1
 ASSI { 2100}
   (( segid "    " and resid 83   and name HA  ))
   (  segid "    " and resid 83   and name HG2%)
      6.000     4.500     0.000 peak  2100 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.271 ppm2      0.980 CV     1
 OR { 2100}
   (( segid "    " and resid 83   and name HA  ))
   (  segid "    " and resid 83   and name HG1%)
 ASSI { 2101}
   (( segid "    " and resid 158  and name HA  ))
   (( segid "    " and resid 158  and name HB2 ))
      6.000     4.500     0.000 peak  2101 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.974 ppm2      3.064 CV     1
 ASSI { 2102}
   (( segid "    " and resid 158  and name HA  ))
   (( segid "    " and resid 41   and name HB2 ))
      6.000     4.500     0.000 peak  2102 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.972 ppm2      1.738 CV     1
 OR { 2102}
   (( segid "    " and resid 158  and name HA  ))
   (( segid "    " and resid 41   and name HB1 ))
 ASSI { 2103}
   (( segid "    " and resid 158  and name HA  ))
   (( segid "    " and resid 41   and name HG1 ))
      6.000     4.500     0.000 peak  2103 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.977 ppm2      1.296 CV     1
 ASSI { 2104}
   (( segid "    " and resid 158  and name HA  ))
   (( segid "    " and resid 158  and name HB1 ))
      6.000     4.500     0.000 peak  2104 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.966 ppm2      2.783 CV     1
 ASSI { 2105}
   (( segid "    " and resid 38   and name HB1 ))
   (( segid "    " and resid 157  and name HE1 ))
      6.000     4.500     0.000 peak  2105 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.739 ppm2      2.968 CV     1
 OR { 2105}
   (( segid "    " and resid 38   and name HB1 ))
   (( segid "    " and resid 157  and name HE2 ))
 ASSI { 2106}
   (( segid "    " and resid 38   and name HB1 ))
   (( segid "    " and resid 37   and name HA  ))
      6.000     4.500     0.000 peak  2106 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.732 ppm2      4.270 CV     1
 ASSI { 2108}
   (( segid "    " and resid 38   and name HB2 ))
   (( segid "    " and resid 37   and name HA  ))
      6.000     4.500     0.000 peak  2108 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.537 ppm2      4.269 CV     1
 ASSI { 2109}
   (( segid "    " and resid 38   and name HB2 ))
   (( segid "    " and resid 38   and name HB1 ))
      6.000     4.500     0.000 peak  2109 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.535 ppm2      3.735 CV     1
 ASSI { 2110}
   (( segid "    " and resid 38   and name HB2 ))
   (( segid "    " and resid 157  and name HE1 ))
      6.000     4.500     0.000 peak  2110 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.535 ppm2      2.976 CV     1
 OR { 2110}
   (( segid "    " and resid 38   and name HB2 ))
   (( segid "    " and resid 157  and name HE2 ))
 ASSI { 2111}
   (( segid "    " and resid 38   and name HB2 ))
   (( segid "    " and resid 157  and name HG2 ))
      6.000     4.500     0.000 peak  2111 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.534 ppm2      1.624 CV     1
 ASSI { 2112}
   (( segid "    " and resid 13   and name HB2 ))
   (( segid "    " and resid 13   and name HB1 ))
      6.000     4.500     0.000 peak  2112 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.415 ppm2      4.149 CV     1
 ASSI { 2113}
   (( segid "    " and resid 13   and name HB2 ))
   (( segid "    " and resid 14   and name HD1 ))
      6.000     4.500     0.000 peak  2113 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.417 ppm2      3.703 CV     1
 ASSI { 2115}
   (( segid "    " and resid 13   and name HB2 ))
   (( segid "    " and resid 14   and name HD2 ))
      6.000     4.500     0.000 peak  2115 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.409 ppm2      3.613 CV     1
 ASSI { 2118}
   (( segid "    " and resid 13   and name HB2 ))
   (( segid "    " and resid 15   and name HB2 ))
      6.000     4.500     0.000 peak  2118 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.408 ppm2      1.740 CV     1
 ASSI { 2119}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 75   and name HG2 ))
      6.000     4.500     0.000 peak  2119 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.405 ppm2      1.626 CV     1
 ASSI { 2120}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 72   and name HB1 ))
      6.000     4.500     0.000 peak  2120 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.398 ppm2      3.458 CV     1
 ASSI { 2121}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 72   and name HB2 ))
      6.000     4.500     0.000 peak  2121 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.397 ppm2      2.957 CV     1
 ASSI { 2123}
   (( segid "    " and resid 83   and name HA  ))
   (( segid "    " and resid 82   and name HA  ))
      6.000     4.500     0.000 peak  2123 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.275 ppm2      4.406 CV     1
 ASSI { 2124}
   (( segid "    " and resid 83   and name HA  ))
   (( segid "    " and resid 83   and name HB  ))
      6.000     4.500     0.000 peak  2124 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.273 ppm2      2.117 CV     1
 ASSI { 2127}
   (( segid "    " and resid 13   and name HB1 ))
   (( segid "    " and resid 14   and name HD1 ))
      6.000     4.500     0.000 peak  2127 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.156 ppm2      3.723 CV     1
 ASSI { 2129}
   (( segid "    " and resid 13   and name HB1 ))
   (( segid "    " and resid 16   and name HB2 ))
      6.000     4.500     0.000 peak  2129 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.158 ppm2      2.313 CV     1
 ASSI { 2132}
   (( segid "    " and resid 13   and name HB1 ))
   (( segid "    " and resid 12   and name HA  ))
      6.000     4.500     0.000 peak  2132 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.152 ppm2      3.893 CV     1
 ASSI { 2133}
   (( segid "    " and resid 136  and name HA  ))
   (  segid "    " and resid 136  and name HG2%)
      6.000     4.500     0.000 peak  2133 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.522 ppm2      1.034 CV     1
 OR { 2133}
   (( segid "    " and resid 136  and name HA  ))
   (  segid "    " and resid 136  and name HG1%)
 ASSI { 2134}
   (( segid "    " and resid 136  and name HA  ))
   (( segid "    " and resid 136  and name HB  ))
      6.000     4.500     0.000 peak  2134 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.515 ppm2      1.959 CV     1
 ASSI { 2135}
   (( segid "    " and resid 131  and name HA  ))
   (  segid "    " and resid 59   and name HB% )
      6.000     4.500     0.000 peak  2135 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.506 ppm2      1.275 CV     1
 ASSI { 2136}
   (( segid "    " and resid 131  and name HA  ))
   (  segid "    " and resid 131  and name HG2%)
      6.000     4.500     0.000 peak  2136 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.505 ppm2      0.845 CV     1
 ASSI { 2137}
   (( segid "    " and resid 131  and name HA  ))
   (( segid "    " and resid 131  and name HB  ))
      6.000     4.500     0.000 peak  2137 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.500 ppm2      2.155 CV     1
 ASSI { 2138}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 75   and name HB1 ))
      6.000     4.500     0.000 peak  2138 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.397 ppm2      1.911 CV     1
 ASSI { 2140}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 29   and name HD1 ))
      6.000     4.500     0.000 peak  2140 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.785 ppm2      2.756 CV     1
 ASSI { 2141}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 29   and name HG2 ))
      6.000     4.500     0.000 peak  2141 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.785 ppm2      2.059 CV     1
 ASSI { 2142}
   (( segid "    " and resid 28   and name HA  ))
   (  segid "    " and resid 28   and name HG2%)
      6.000     4.500     0.000 peak  2142 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.785 ppm2      0.606 CV     1
 ASSI { 2145}
   (( segid "    " and resid 106  and name HA  ))
   (( segid "    " and resid 106  and name HG11))
      6.000     4.500     0.000 peak  2145 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.324 ppm2      1.077 CV     1
 OR { 2145}
   (( segid "    " and resid 106  and name HA  ))
   (( segid "    " and resid 106  and name HG12))
 ASSI { 2146}
   (( segid "    " and resid 106  and name HA  ))
   (  segid "    " and resid 106  and name HG2%)
      6.000     4.500     0.000 peak  2146 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.324 ppm2      0.944 CV     1
 ASSI { 2147}
   (( segid "    " and resid 106  and name HA  ))
   (  segid "    " and resid 106  and name HD1%)
      6.000     4.500     0.000 peak  2147 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.327 ppm2      0.639 CV     1
 ASSI { 2150}
   (( segid "    " and resid 77   and name HA  ))
   (( segid "    " and resid 77   and name HB1 ))
      6.000     4.500     0.000 peak  2150 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.766 ppm2      2.591 CV     1
 ASSI { 2151}
   (( segid "    " and resid 77   and name HA  ))
   (( segid "    " and resid 77   and name HG2 ))
      6.000     4.500     0.000 peak  2151 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.766 ppm2      1.957 CV     1
 ASSI { 2153}
   (( segid "    " and resid 77   and name HA  ))
   (( segid "    " and resid 94   and name HB1 ))
      6.000     4.500     0.000 peak  2153 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.768 ppm2      1.555 CV     1
 OR { 2153}
   (( segid "    " and resid 77   and name HA  ))
   (( segid "    " and resid 94   and name HB2 ))
 ASSI { 2154}
   (( segid "    " and resid 77   and name HA  ))
   (  segid "    " and resid 96   and name HD2%)
      6.000     4.500     0.000 peak  2154 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.769 ppm2      1.137 CV     1
 ASSI { 2155}
   (( segid "    " and resid 77   and name HA  ))
   (  segid "    " and resid 76   and name HG2%)
      6.000     4.500     0.000 peak  2155 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.767 ppm2      0.824 CV     1
 ASSI { 2156}
   (( segid "    " and resid 77   and name HA  ))
   (( segid "    " and resid 80   and name HG2 ))
      6.000     4.500     0.000 peak  2156 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.758 ppm2      2.273 CV     1
 ASSI { 2157}
   (( segid "    " and resid 116  and name HA  ))
   (( segid "    " and resid 116  and name HB1 ))
      6.000     4.500     0.000 peak  2157 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.196 ppm2      3.057 CV     1
 ASSI { 2160}
   (( segid "    " and resid 118  and name HA  ))
   (( segid "    " and resid 121  and name HB1 ))
      6.000     4.500     0.000 peak  2160 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.869 ppm2     -0.656 CV     1
 ASSI { 2162}
   (( segid "    " and resid 118  and name HA  ))
   (( segid "    " and resid 118  and name HG2 ))
      6.000     4.500     0.000 peak  2162 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.859 ppm2      3.305 CV     1
 OR { 2162}
   (( segid "    " and resid 118  and name HA  ))
   (( segid "    " and resid 118  and name HG1 ))
 ASSI { 2163}
   (( segid "    " and resid 129  and name HA  ))
   (( segid "    " and resid 129  and name HB2 ))
      6.000     4.500     0.000 peak  2163 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.863 ppm2      3.178 CV     1
 ASSI { 2164}
   (( segid "    " and resid 129  and name HA  ))
   (( segid "    " and resid 129  and name HB1 ))
      6.000     4.500     0.000 peak  2164 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.861 ppm2      2.896 CV     1
 ASSI { 2166}
   (( segid "    " and resid 118  and name HA  ))
   (( segid "    " and resid 124  and name HB2 ))
      6.000     4.500     0.000 peak  2166 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.860 ppm2      2.186 CV     1
 OR { 2166}
   (( segid "    " and resid 118  and name HA  ))
   (( segid "    " and resid 124  and name HB1 ))
 ASSI { 2167}
   (( segid "    " and resid 118  and name HA  ))
   (( segid "    " and resid 118  and name HB1 ))
      6.000     4.500     0.000 peak  2167 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.865 ppm2      1.958 CV     1
 OR { 2167}
   (( segid "    " and resid 118  and name HA  ))
   (( segid "    " and resid 118  and name HB2 ))
 ASSI { 2168}
   (( segid "    " and resid 129  and name HA  ))
   (( segid "    " and resid 133  and name HB1 ))
      6.000     4.500     0.000 peak  2168 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.864 ppm2      1.509 CV     1
 ASSI { 2171}
   (( segid "    " and resid 129  and name HA  ))
   (  segid "    " and resid 147  and name HD1%)
      6.000     4.500     0.000 peak  2171 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.856 ppm2     -0.473 CV     1
 ASSI { 2172}
   (( segid "    " and resid 38   and name HA  ))
   (( segid "    " and resid 38   and name HB2 ))
      6.000     4.500     0.000 peak  2172 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.283 ppm2      3.530 CV     1
 ASSI { 2177}
   (( segid "    " and resid 37   and name HA  ))
   (( segid "    " and resid 130  and name HB1 ))
      6.000     4.500     0.000 peak  2177 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.273 ppm2      2.644 CV     1
 ASSI { 2186}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 75   and name HD1 ))
      6.000     4.500     0.000 peak  2186 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.146 ppm2      3.355 CV     1
 ASSI { 2188}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 75   and name HB1 ))
      6.000     4.500     0.000 peak  2188 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.143 ppm2      1.922 CV     1
 ASSI { 2189}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 78   and name HB2 ))
      6.000     4.500     0.000 peak  2189 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.146 ppm2      1.772 CV     1
 ASSI { 2190}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 75   and name HG2 ))
      6.000     4.500     0.000 peak  2190 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.143 ppm2      1.584 CV     1
 ASSI { 2191}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 75   and name HD2 ))
      6.000     4.500     0.000 peak  2191 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.132 ppm2      3.178 CV     1
 ASSI { 2192}
   (( segid "    " and resid 109  and name HA  ))
   (( segid "    " and resid 109  and name HG2 ))
      6.000     4.500     0.000 peak  2192 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.042 ppm2      2.308 CV     1
 ASSI { 2193}
   (( segid "    " and resid 109  and name HA  ))
   (( segid "    " and resid 109  and name HB1 ))
      6.000     4.500     0.000 peak  2193 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.039 ppm2      2.038 CV     1
 OR { 2193}
   (( segid "    " and resid 109  and name HA  ))
   (( segid "    " and resid 109  and name HB2 ))
 ASSI { 2197}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 23   and name HG1 ))
      6.000     4.500     0.000 peak  2197 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.010 ppm2      1.564 CV     1
 ASSI { 2199}
   (( segid "    " and resid 119  and name HA  ))
   (( segid "    " and resid 124  and name HB2 ))
      6.000     4.500     0.000 peak  2199 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.800 ppm2      2.154 CV     1
 OR { 2199}
   (( segid "    " and resid 119  and name HA  ))
   (( segid "    " and resid 124  and name HB1 ))
 ASSI { 2202}
   (( segid "    " and resid 67   and name HA  ))
   (( segid "    " and resid 67   and name HG1 ))
      6.000     4.500     0.000 peak  2202 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.660 ppm2      2.156 CV     1
 ASSI { 2203}
   (( segid "    " and resid 67   and name HA  ))
   (( segid "    " and resid 67   and name HB1 ))
      6.000     4.500     0.000 peak  2203 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.662 ppm2      1.868 CV     1
 OR { 2203}
   (( segid "    " and resid 67   and name HA  ))
   (( segid "    " and resid 67   and name HB2 ))
 ASSI { 2207}
   (( segid "    " and resid 67   and name HA  ))
   (  segid "    " and resid 111  and name HD1%)
      6.000     4.500     0.000 peak  2207 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.662 ppm2      0.355 CV     1
 ASSI { 2208}
   (( segid "    " and resid 67   and name HA  ))
   (( segid "    " and resid 66   and name HA  ))
      6.000     4.500     0.000 peak  2208 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.655 ppm2      3.387 CV     1
 ASSI { 2209}
   (( segid "    " and resid 67   and name HA  ))
   (( segid "    " and resid 70   and name HB1 ))
      6.000     4.500     0.000 peak  2209 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.657 ppm2      1.015 CV     1
 ASSI { 2211}
   (( segid "    " and resid 144  and name HA  ))
   (( segid "    " and resid 147  and name HB2 ))
      6.000     4.500     0.000 peak  2211 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.528 ppm2      1.082 CV     1
 ASSI { 2214}
   (( segid "    " and resid 144  and name HA  ))
   (( segid "    " and resid 144  and name HD2 ))
      6.000     4.500     0.000 peak  2214 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.525 ppm2      3.386 CV     1
 ASSI { 2215}
   (( segid "    " and resid 144  and name HA  ))
   (( segid "    " and resid 144  and name HD1 ))
      6.000     4.500     0.000 peak  2215 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.525 ppm2      3.269 CV     1
 ASSI { 2216}
   (( segid "    " and resid 144  and name HA  ))
   (( segid "    " and resid 144  and name HB1 ))
      6.000     4.500     0.000 peak  2216 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.527 ppm2      2.128 CV     1
 ASSI { 2217}
   (( segid "    " and resid 144  and name HA  ))
   (( segid "    " and resid 133  and name HB2 ))
      6.000     4.500     0.000 peak  2217 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.526 ppm2      1.610 CV     1
 ASSI { 2218}
   (( segid "    " and resid 144  and name HA  ))
   (( segid "    " and resid 147  and name HB1 ))
      6.000     4.500     0.000 peak  2218 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.522 ppm2      0.666 CV     1
 ASSI { 2219}
   (( segid "    " and resid 144  and name HA  ))
   (  segid "    " and resid 147  and name HD1%)
      6.000     4.500     0.000 peak  2219 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.527 ppm2     -0.461 CV     1
 ASSI { 2222}
   (( segid "    " and resid 113  and name HA  ))
   (  segid "    " and resid 113  and name HG1%)
      6.000     4.500     0.000 peak  2222 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.329 ppm2      1.171 CV     1
 ASSI { 2223}
   (( segid "    " and resid 113  and name HA  ))
   (  segid "    " and resid 113  and name HG2%)
      6.000     4.500     0.000 peak  2223 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.326 ppm2      0.878 CV     1
 ASSI { 2227}
   (( segid "    " and resid 37   and name HA  ))
   (  segid "    " and resid 131  and name HG2%)
      6.000     4.500     0.000 peak  2227 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.270 ppm2      0.853 CV     1
 ASSI { 2230}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 19   and name HB2 ))
      6.000     4.500     0.000 peak  2230 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.108 ppm2      2.858 CV     1
 ASSI { 2231}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 19   and name HB1 ))
      6.000     4.500     0.000 peak  2231 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.103 ppm2      2.694 CV     1
 ASSI { 2232}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 16   and name HG2 ))
      6.000     4.500     0.000 peak  2232 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.106 ppm2      2.337 CV     1
 ASSI { 2233}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 16   and name HB1 ))
      6.000     4.500     0.000 peak  2233 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.106 ppm2      2.172 CV     1
 ASSI { 2234}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 23   and name HD1 ))
      6.000     4.500     0.000 peak  2234 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.007 ppm2      1.702 CV     1
 ASSI { 2235}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 23   and name HG2 ))
      6.000     4.500     0.000 peak  2235 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.008 ppm2      1.450 CV     1
 OR { 2235}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 23   and name HD2 ))
 ASSI { 2236}
   (( segid "    " and resid 23   and name HA  ))
   (  segid "    " and resid 22   and name HD1%)
      6.000     4.500     0.000 peak  2236 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.004 ppm2      1.166 CV     1
 ASSI { 2240}
   (( segid "    " and resid 119  and name HA  ))
   (( segid "    " and resid 119  and name HB1 ))
      6.000     4.500     0.000 peak  2240 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.801 ppm2      1.675 CV     1
 ASSI { 2241}
   (( segid "    " and resid 119  and name HA  ))
   (( segid "    " and resid 119  and name HB2 ))
      6.000     4.500     0.000 peak  2241 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.802 ppm2      1.495 CV     1
 ASSI { 2242}
   (( segid "    " and resid 119  and name HA  ))
   (( segid "    " and resid 150  and name HB1 ))
      6.000     4.500     0.000 peak  2242 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.803 ppm2      0.936 CV     1
 ASSI { 2243}
   (( segid "    " and resid 119  and name HA  ))
   (  segid "    " and resid 125  and name HD1%)
      6.000     4.500     0.000 peak  2243 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.803 ppm2      0.487 CV     1
 OR { 2243}
   (( segid "    " and resid 119  and name HA  ))
   (  segid "    " and resid 125  and name HD2%)
 ASSI { 2244}
   (( segid "    " and resid 119  and name HA  ))
   (( segid "    " and resid 125  and name HG  ))
      6.000     4.500     0.000 peak  2244 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.802 ppm2      0.328 CV     1
 ASSI { 2245}
   (( segid "    " and resid 119  and name HA  ))
   (( segid "    " and resid 119  and name HG2 ))
      6.000     4.500     0.000 peak  2245 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.796 ppm2      1.298 CV     1
 ASSI { 2246}
   (( segid "    " and resid 119  and name HA  ))
   (  segid "    " and resid 146  and name HG2%)
      6.000     4.500     0.000 peak  2246 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.797 ppm2      0.752 CV     1
 ASSI { 2248}
   (( segid "    " and resid 137  and name HA  ))
   (( segid "    " and resid 138  and name HG1 ))
      6.000     4.500     0.000 peak  2248 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.314 ppm2      1.973 CV     1
 OR { 2248}
   (( segid "    " and resid 137  and name HA  ))
   (( segid "    " and resid 138  and name HG2 ))
 ASSI { 2252}
   (( segid "    " and resid 143  and name HA  ))
   (  segid "    " and resid 146  and name HG2%)
      6.000     4.500     0.000 peak  2252 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.101 ppm2      0.751 CV     1
 ASSI { 2253}
   (( segid "    " and resid 143  and name HA  ))
   (( segid "    " and resid 146  and name HB  ))
      6.000     4.500     0.000 peak  2253 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.093 ppm2      1.790 CV     1
 ASSI { 2255}
   (( segid "    " and resid 143  and name HA  ))
   (( segid "    " and resid 143  and name HB1 ))
      6.000     4.500     0.000 peak  2255 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.098 ppm2      1.345 CV     1
 ASSI { 2256}
   (( segid "    " and resid 143  and name HA  ))
   (( segid "    " and resid 143  and name HG  ))
      6.000     4.500     0.000 peak  2256 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.096 ppm2      0.960 CV     1
 ASSI { 2262}
   (( segid "    " and resid 130  and name HA  ))
   (( segid "    " and resid 130  and name HB2 ))
      6.000     4.500     0.000 peak  2262 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.893 ppm2      2.295 CV     1
 ASSI { 2263}
   (( segid "    " and resid 130  and name HA  ))
   (( segid "    " and resid 131  and name HG12))
      6.000     4.500     0.000 peak  2263 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.894 ppm2      1.650 CV     1
 OR { 2263}
   (( segid "    " and resid 130  and name HA  ))
   (( segid "    " and resid 131  and name HG11))
 ASSI { 2265}
   (( segid "    " and resid 130  and name HA  ))
   (( segid "    " and resid 133  and name HD2 ))
      6.000     4.500     0.000 peak  2265 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.890 ppm2      3.137 CV     1
 ASSI { 2267}
   (( segid "    " and resid 130  and name HA  ))
   (( segid "    " and resid 133  and name HB1 ))
      6.000     4.500     0.000 peak  2267 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.884 ppm2      1.509 CV     1
 ASSI { 2270}
   (( segid "    " and resid 148  and name HA  ))
   (( segid "    " and resid 151  and name HA  ))
      6.000     4.500     0.000 peak  2270 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.434 ppm2      4.095 CV     1
 ASSI { 2271}
   (( segid "    " and resid 124  and name HA  ))
   (( segid "    " and resid 124  and name HB1 ))
      6.000     4.500     0.000 peak  2271 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.415 ppm2      2.169 CV     1
 OR { 2271}
   (( segid "    " and resid 124  and name HA  ))
   (( segid "    " and resid 124  and name HB2 ))
 ASSI { 2272}
   (( segid "    " and resid 124  and name HA  ))
   (  segid "    " and resid 6    and name HB% )
      6.000     4.500     0.000 peak  2272 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.407 ppm2      1.783 CV     1
 ASSI { 2273}
   (( segid "    " and resid 124  and name HA  ))
   (( segid "    " and resid 127  and name HB1 ))
      6.000     4.500     0.000 peak  2273 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.397 ppm2      1.943 CV     1
 ASSI { 2274}
   (( segid "    " and resid 137  and name HA  ))
   (( segid "    " and resid 138  and name HD1 ))
      6.000     4.500     0.000 peak  2274 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.314 ppm2      4.028 CV     1
 OR { 2274}
   (( segid "    " and resid 137  and name HA  ))
   (( segid "    " and resid 138  and name HD2 ))
 ASSI { 2275}
   (( segid "    " and resid 137  and name HA  ))
   (( segid "    " and resid 137  and name HB2 ))
      6.000     4.500     0.000 peak  2275 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.312 ppm2      3.252 CV     1
 ASSI { 2277}
   (( segid "    " and resid 137  and name HA  ))
   (( segid "    " and resid 137  and name HB1 ))
      6.000     4.500     0.000 peak  2277 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.308 ppm2      3.376 CV     1
 ASSI { 2280}
   (( segid "    " and resid 69   and name HA  ))
   (  segid "    " and resid 69   and name HD2%)
      6.000     4.500     0.000 peak  2280 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.194 ppm2      0.964 CV     1
 ASSI { 2281}
   (( segid "    " and resid 69   and name HA  ))
   (  segid "    " and resid 64   and name HD1%)
      6.000     4.500     0.000 peak  2281 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.200 ppm2      0.712 CV     1
 OR { 2281}
   (( segid "    " and resid 69   and name HA  ))
   (  segid "    " and resid 64   and name HD2%)
 ASSI { 2282}
   (( segid "    " and resid 69   and name HA  ))
   (( segid "    " and resid 69   and name HB2 ))
      6.000     4.500     0.000 peak  2282 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.190 ppm2      1.324 CV     1
 ASSI { 2283}
   (( segid "    " and resid 145  and name HA  ))
   (( segid "    " and resid 145  and name HG2 ))
      6.000     4.500     0.000 peak  2283 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.242 ppm2      2.484 CV     1
 OR { 2283}
   (( segid "    " and resid 145  and name HA  ))
   (( segid "    " and resid 145  and name HG1 ))
 ASSI { 2286}
   (( segid "    " and resid 79   and name HA  ))
   (( segid "    " and resid 79   and name HG1 ))
      6.000     4.500     0.000 peak  2286 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.197 ppm2      2.664 CV     1
 ASSI { 2287}
   (( segid "    " and resid 79   and name HA  ))
   (( segid "    " and resid 79   and name HG2 ))
      6.000     4.500     0.000 peak  2287 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.196 ppm2      2.581 CV     1
 ASSI { 2288}
   (( segid "    " and resid 79   and name HA  ))
   (( segid "    " and resid 79   and name HB1 ))
      6.000     4.500     0.000 peak  2288 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.200 ppm2      2.282 CV     1
 ASSI { 2289}
   (( segid "    " and resid 78   and name HA  ))
   (( segid "    " and resid 78   and name HB1 ))
      6.000     4.500     0.000 peak  2289 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.186 ppm2      1.954 CV     1
 ASSI { 2294}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 22   and name HG  ))
      6.000     4.500     0.000 peak  2294 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.974 ppm2      1.933 CV     1
 ASSI { 2295}
   (( segid "    " and resid 22   and name HA  ))
   (  segid "    " and resid 22   and name HD1%)
      6.000     4.500     0.000 peak  2295 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.972 ppm2      1.161 CV     1
 ASSI { 2296}
   (( segid "    " and resid 22   and name HA  ))
   (  segid "    " and resid 58   and name HG1%)
      6.000     4.500     0.000 peak  2296 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.978 ppm2      0.999 CV     1
 OR { 2296}
   (( segid "    " and resid 22   and name HA  ))
   (  segid "    " and resid 58   and name HG2%)
 ASSI { 2297}
   (( segid "    " and resid 22   and name HA  ))
   (  segid "    " and resid 25   and name HD1%)
      6.000     4.500     0.000 peak  2297 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.972 ppm2      0.861 CV     1
 OR { 2297}
   (( segid "    " and resid 22   and name HA  ))
   (  segid "    " and resid 25   and name HD2%)
 ASSI { 2298}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 15   and name HB1 ))
      6.000     4.500     0.000 peak  2298 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.424 ppm2      1.272 CV     1
 ASSI { 2300}
   (( segid "    " and resid 123  and name HA  ))
   (( segid "    " and resid 123  and name HB1 ))
      6.000     4.500     0.000 peak  2300 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.362 ppm2      3.349 CV     1
 ASSI { 2301}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 71   and name HB2 ))
      6.000     4.500     0.000 peak  2301 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.352 ppm2      3.095 CV     1
 ASSI { 2303}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 68   and name HG1 ))
      6.000     4.500     0.000 peak  2303 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.350 ppm2      2.407 CV     1
 OR { 2303}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 68   and name HG2 ))
 ASSI { 2306}
   (( segid "    " and resid 123  and name HA  ))
   (( segid "    " and resid 155  and name HG  ))
      6.000     4.500     0.000 peak  2306 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.355 ppm2      0.776 CV     1
 ASSI { 2307}
   (( segid "    " and resid 123  and name HA  ))
   (  segid "    " and resid 155  and name HD1%)
      6.000     4.500     0.000 peak  2307 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.359 ppm2      0.504 CV     1
 OR { 2307}
   (( segid "    " and resid 123  and name HA  ))
   (  segid "    " and resid 155  and name HD2%)
 ASSI { 2308}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 71   and name HB1 ))
      6.000     4.500     0.000 peak  2308 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.347 ppm2      2.627 CV     1
 ASSI { 2313}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 17   and name HB1 ))
      6.000     4.500     0.000 peak  2313 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.991 ppm2      2.145 CV     1
 OR { 2313}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 17   and name HB2 ))
 ASSI { 2318}
   (( segid "    " and resid 15   and name HA  ))
   (  segid "    " and resid 18   and name HG2%)
      6.000     4.500     0.000 peak  2318 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.428 ppm2      0.641 CV     1
 ASSI { 2320}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 15   and name HB2 ))
      6.000     4.500     0.000 peak  2320 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.420 ppm2      1.723 CV     1
 ASSI { 2321}
   (( segid "    " and resid 15   and name HA  ))
   (  segid "    " and resid 54   and name HD2%)
      6.000     4.500     0.000 peak  2321 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.423 ppm2     -0.634 CV     1
 OR { 2321}
   (( segid "    " and resid 15   and name HA  ))
   (  segid "    " and resid 54   and name HD1%)
 ASSI { 2322}
   (( segid "    " and resid 104  and name HA  ))
   (( segid "    " and resid 104  and name HB1 ))
      6.000     4.500     0.000 peak  2322 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.273 ppm2      2.180 CV     1
 ASSI { 2324}
   (( segid "    " and resid 88   and name HA  ))
   (( segid "    " and resid 88   and name HD2 ))
      6.000     4.500     0.000 peak  2324 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.081 ppm2      2.923 CV     1
 ASSI { 2330}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 17   and name HG2 ))
      6.000     4.500     0.000 peak  2330 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.993 ppm2      2.643 CV     1
 OR { 2330}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 17   and name HG1 ))
 ASSI { 2333}
   (( segid "    " and resid 135  and name HA  ))
   (( segid "    " and resid 135  and name HG  ))
      6.000     4.500     0.000 peak  2333 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.854 ppm2      1.250 CV     1
 ASSI { 2334}
   (( segid "    " and resid 135  and name HA  ))
   (( segid "    " and resid 135  and name HB1 ))
      6.000     4.500     0.000 peak  2334 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.848 ppm2      1.734 CV     1
 ASSI { 2335}
   (( segid "    " and resid 135  and name HA  ))
   (  segid "    " and resid 135  and name HD1%)
      6.000     4.500     0.000 peak  2335 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.848 ppm2      0.116 CV     1
 ASSI { 2337}
   (( segid "    " and resid 125  and name HA  ))
   (  segid "    " and resid 128  and name HD2%)
      6.000     4.500     0.000 peak  2337 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.821 ppm2      0.598 CV     1
 OR { 2337}
   (( segid "    " and resid 125  and name HA  ))
   (  segid "    " and resid 128  and name HD1%)
 ASSI { 2338}
   (( segid "    " and resid 125  and name HA  ))
   (  segid "    " and resid 125  and name HD2%)
      6.000     4.500     0.000 peak  2338 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.818 ppm2      0.480 CV     1
 ASSI { 2339}
   (( segid "    " and resid 125  and name HA  ))
   (  segid "    " and resid 147  and name HD2%)
      6.000     4.500     0.000 peak  2339 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.820 ppm2     -0.571 CV     1
 ASSI { 2340}
   (( segid "    " and resid 125  and name HA  ))
   (  segid "    " and resid 147  and name HD1%)
      6.000     4.500     0.000 peak  2340 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.812 ppm2     -0.458 CV     1
 ASSI { 2342}
   (( segid "    " and resid 147  and name HA  ))
   (  segid "    " and resid 151  and name HB% )
      6.000     4.500     0.000 peak  2342 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.674 ppm2      1.240 CV     1
 ASSI { 2343}
   (( segid "    " and resid 147  and name HA  ))
   (( segid "    " and resid 147  and name HB2 ))
      6.000     4.500     0.000 peak  2343 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.671 ppm2      1.095 CV     1
 ASSI { 2344}
   (( segid "    " and resid 147  and name HA  ))
   (( segid "    " and resid 147  and name HB1 ))
      6.000     4.500     0.000 peak  2344 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.673 ppm2      0.662 CV     1
 ASSI { 2345}
   (( segid "    " and resid 147  and name HA  ))
   (( segid "    " and resid 125  and name HG  ))
      6.000     4.500     0.000 peak  2345 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.672 ppm2      0.334 CV     1
 ASSI { 2346}
   (( segid "    " and resid 147  and name HA  ))
   (( segid "    " and resid 147  and name HG  ))
      6.000     4.500     0.000 peak  2346 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.667 ppm2      0.883 CV     1
 ASSI { 2347}
   (( segid "    " and resid 147  and name HA  ))
   (  segid "    " and resid 125  and name HD1%)
      6.000     4.500     0.000 peak  2347 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.669 ppm2      0.494 CV     1
 ASSI { 2348}
   (( segid "    " and resid 147  and name HA  ))
   (  segid "    " and resid 147  and name HD2%)
      6.000     4.500     0.000 peak  2348 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.668 ppm2     -0.572 CV     1
 ASSI { 2350}
   (( segid "    " and resid 141  and name HA  ))
   (( segid "    " and resid 142  and name HG1 ))
      6.000     4.500     0.000 peak  2350 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.296 ppm2      2.829 CV     1
 ASSI { 2351}
   (( segid "    " and resid 141  and name HA  ))
   (( segid "    " and resid 141  and name HG2 ))
      6.000     4.500     0.000 peak  2351 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.295 ppm2      2.055 CV     1
 ASSI { 2352}
   (( segid "    " and resid 141  and name HA  ))
   (( segid "    " and resid 141  and name HB2 ))
      6.000     4.500     0.000 peak  2352 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.286 ppm2      1.812 CV     1
 ASSI { 2353}
   (( segid "    " and resid 104  and name HA  ))
   (( segid "    " and resid 104  and name HG2 ))
      6.000     4.500     0.000 peak  2353 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.270 ppm2      2.545 CV     1
 ASSI { 2354}
   (( segid "    " and resid 104  and name HA  ))
   (  segid "    " and resid 105  and name HG2%)
      6.000     4.500     0.000 peak  2354 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.278 ppm2      1.025 CV     1
 OR { 2354}
   (( segid "    " and resid 104  and name HA  ))
   (  segid "    " and resid 105  and name HG1%)
 ASSI { 2356}
   (( segid "    " and resid 104  and name HA  ))
   (  segid "    " and resid 106  and name HD1%)
      6.000     4.500     0.000 peak  2356 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.264 ppm2      0.644 CV     1
 ASSI { 2358}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 14   and name HG2 ))
      6.000     4.500     0.000 peak  2358 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.088 ppm2      2.175 CV     1
 ASSI { 2360}
   (( segid "    " and resid 128  and name HA  ))
   (( segid "    " and resid 133  and name HB1 ))
      6.000     4.500     0.000 peak  2360 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.854 ppm2      1.510 CV     1
 ASSI { 2361}
   (( segid "    " and resid 128  and name HA  ))
   (  segid "    " and resid 128  and name HD1%)
      6.000     4.500     0.000 peak  2361 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.858 ppm2      0.598 CV     1
 OR { 2361}
   (( segid "    " and resid 128  and name HA  ))
   (  segid "    " and resid 128  and name HD2%)
 ASSI { 2362}
   (( segid "    " and resid 125  and name HA  ))
   (( segid "    " and resid 128  and name HB2 ))
      6.000     4.500     0.000 peak  2362 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.836 ppm2      2.047 CV     1
 ASSI { 2363}
   (( segid "    " and resid 19   and name HA  ))
   (( segid "    " and resid 22   and name HB2 ))
      6.000     4.500     0.000 peak  2363 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.602 ppm2      2.055 CV     1
 ASSI { 2364}
   (( segid "    " and resid 19   and name HA  ))
   (( segid "    " and resid 19   and name HB2 ))
      6.000     4.500     0.000 peak  2364 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.591 ppm2      2.867 CV     1
 ASSI { 2365}
   (( segid "    " and resid 110  and name HA  ))
   (  segid "    " and resid 70   and name HD1%)
      6.000     6.000     0.000 peak  2365 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.244 ppm2      0.485 CV     1
 ASSI { 2367}
   (( segid "    " and resid 110  and name HA  ))
   (( segid "    " and resid 110  and name HB2 ))
      6.000     4.500     0.000 peak  2367 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.239 ppm2      1.394 CV     1
 ASSI { 2371}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 14   and name HD1 ))
      6.000     4.500     0.000 peak  2371 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.083 ppm2      3.740 CV     1
 ASSI { 2372}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 14   and name HD2 ))
      6.000     4.500     0.000 peak  2372 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.081 ppm2      3.605 CV     1
 ASSI { 2374}
   (( segid "    " and resid 30   and name HA  ))
   (( segid "    " and resid 30   and name HB1 ))
      6.000     4.500     0.000 peak  2374 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.926 ppm2      2.411 CV     1
 ASSI { 2375}
   (( segid "    " and resid 30   and name HA  ))
   (( segid "    " and resid 30   and name HG1 ))
      6.000     4.500     0.000 peak  2375 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.925 ppm2      2.124 CV     1
 ASSI { 2376}
   (( segid "    " and resid 128  and name HA  ))
   (( segid "    " and resid 128  and name HG  ))
      6.000     4.500     0.000 peak  2376 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.855 ppm2      0.305 CV     1
 ASSI { 2377}
   (( segid "    " and resid 19   and name HA  ))
   (( segid "    " and resid 19   and name HB1 ))
      6.000     4.500     0.000 peak  2377 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.595 ppm2      2.682 CV     1
 ASSI { 2378}
   (( segid "    " and resid 19   and name HA  ))
   (  segid "    " and resid 22   and name HD1%)
      6.000     4.500     0.000 peak  2378 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.592 ppm2      1.131 CV     1
 ASSI { 2379}
   (( segid "    " and resid 157  and name HA  ))
   (( segid "    " and resid 157  and name HB2 ))
      6.000     4.500     0.000 peak  2379 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.507 ppm2      1.991 CV     1
 ASSI { 2380}
   (( segid "    " and resid 157  and name HA  ))
   (( segid "    " and resid 157  and name HB1 ))
      6.000     4.500     0.000 peak  2380 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.497 ppm2      1.836 CV     1
 ASSI { 2381}
   (( segid "    " and resid 157  and name HA  ))
   (( segid "    " and resid 157  and name HG1 ))
      6.000     4.500     0.000 peak  2381 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.502 ppm2      1.286 CV     1
 ASSI { 2383}
   (( segid "    " and resid 87   and name HA  ))
   (( segid "    " and resid 92   and name HB1 ))
      6.000     4.500     0.000 peak  2383 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.212 ppm2      1.601 CV     1
 ASSI { 2385}
   (( segid "    " and resid 87   and name HA  ))
   (( segid "    " and resid 87   and name HG1 ))
      6.000     4.500     0.000 peak  2385 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.192 ppm2      2.332 CV     1
 OR { 2385}
   (( segid "    " and resid 87   and name HA  ))
   (( segid "    " and resid 87   and name HG2 ))
 ASSI { 2386}
   (( segid "    " and resid 87   and name HA  ))
   (( segid "    " and resid 92   and name HG1 ))
      6.000     4.500     0.000 peak  2386 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.200 ppm2      1.426 CV     1
 ASSI { 2387}
   (( segid "    " and resid 154  and name HA  ))
   (( segid "    " and resid 154  and name HB1 ))
      6.000     4.500     0.000 peak  2387 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.974 ppm2      1.416 CV     1
 OR { 2387}
   (( segid "    " and resid 154  and name HA  ))
   (( segid "    " and resid 154  and name HB2 ))
 ASSI { 2388}
   (( segid "    " and resid 154  and name HA  ))
   (( segid "    " and resid 154  and name HG2 ))
      6.000     4.500     0.000 peak  2388 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.975 ppm2      1.193 CV     1
 ASSI { 2389}
   (( segid "    " and resid 154  and name HA  ))
   (( segid "    " and resid 154  and name HG1 ))
      6.000     4.500     0.000 peak  2389 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.974 ppm2      0.748 CV     1
 ASSI { 2391}
   (( segid "    " and resid 70   and name HA  ))
   (  segid "    " and resid 70   and name HD2%)
      6.000     4.500     0.000 peak  2391 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.602 ppm2      0.744 CV     1
 ASSI { 2393}
   (( segid "    " and resid 87   and name HA  ))
   (  segid "    " and resid 86   and name HB% )
      6.000     4.500     0.000 peak  2393 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.196 ppm2      1.477 CV     1
 ASSI { 2395}
   (( segid "    " and resid 34   and name HA  ))
   (( segid "    " and resid 34   and name HB1 ))
      6.000     4.500     0.000 peak  2395 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.524 ppm2      1.673 CV     1
 ASSI { 2396}
   (( segid "    " and resid 34   and name HA  ))
   (( segid "    " and resid 34   and name HB2 ))
      6.000     4.500     0.000 peak  2396 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.521 ppm2      1.555 CV     1
 ASSI { 2400}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 71   and name HB2 ))
      6.000     4.500     0.000 peak  2400 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.326 ppm2      3.099 CV     1
 ASSI { 2401}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 74   and name HG2 ))
      6.000     4.500     0.000 peak  2401 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.327 ppm2      2.955 CV     1
 ASSI { 2403}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 47   and name HA  ))
      6.000     4.500     0.000 peak  2403 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.319 ppm2      4.468 CV     1
 ASSI { 2404}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 71   and name HB1 ))
      6.000     4.500     0.000 peak  2404 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.319 ppm2      2.614 CV     1
 ASSI { 2405}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 48   and name HB1 ))
      6.000     4.500     0.000 peak  2405 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.316 ppm2      2.028 CV     1
 ASSI { 2409}
   (( segid "    " and resid 80   and name HA  ))
   (( segid "    " and resid 80   and name HB1 ))
      6.000     4.500     0.000 peak  2409 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.536 ppm2      2.882 CV     1
 ASSI { 2410}
   (( segid "    " and resid 80   and name HA  ))
   (( segid "    " and resid 80   and name HG1 ))
      6.000     4.500     0.000 peak  2410 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.543 ppm2      2.491 CV     1
 ASSI { 2411}
   (( segid "    " and resid 80   and name HA  ))
   (( segid "    " and resid 80   and name HG2 ))
      6.000     4.500     0.000 peak  2411 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.541 ppm2      2.257 CV     1
 ASSI { 2412}
   (( segid "    " and resid 80   and name HA  ))
   (( segid "    " and resid 80   and name HB2 ))
      6.000     4.500     0.000 peak  2412 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.540 ppm2      1.784 CV     1
 ASSI { 2413}
   (( segid "    " and resid 85   and name HA  ))
   (( segid "    " and resid 85   and name HB2 ))
      6.000     4.500     0.000 peak  2413 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.436 ppm2      1.759 CV     1
 ASSI { 2414}
   (( segid "    " and resid 85   and name HA  ))
   (( segid "    " and resid 85   and name HG2 ))
      6.000     4.500     0.000 peak  2414 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.434 ppm2      1.420 CV     1
 OR { 2414}
   (( segid "    " and resid 85   and name HA  ))
   (( segid "    " and resid 85   and name HG1 ))
 ASSI { 2415}
   (( segid "    " and resid 82   and name HA  ))
   (( segid "    " and resid 82   and name HD2 ))
      6.000     4.500     0.000 peak  2415 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.393 ppm2      3.525 CV     1
 ASSI { 2416}
   (( segid "    " and resid 82   and name HA  ))
   (( segid "    " and resid 82   and name HD1 ))
      6.000     4.500     0.000 peak  2416 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.397 ppm2      3.351 CV     1
 ASSI { 2417}
   (( segid "    " and resid 82   and name HA  ))
   (( segid "    " and resid 82   and name HB2 ))
      6.000     4.500     0.000 peak  2417 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.394 ppm2      1.605 CV     1
 OR { 2417}
   (( segid "    " and resid 82   and name HA  ))
   (( segid "    " and resid 82   and name HB1 ))
 ASSI { 2418}
   (( segid "    " and resid 82   and name HA  ))
   (  segid "    " and resid 83   and name HG2%)
      6.000     4.500     0.000 peak  2418 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.391 ppm2      0.990 CV     1
 OR { 2418}
   (( segid "    " and resid 82   and name HA  ))
   (  segid "    " and resid 83   and name HG1%)
 ASSI { 2419}
   (( segid "    " and resid 82   and name HA  ))
   (( segid "    " and resid 83   and name HB  ))
      6.000     4.500     0.000 peak  2419 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.384 ppm2      2.097 CV     1
 ASSI { 2420}
   (( segid "    " and resid 85   and name HA  ))
   (( segid "    " and resid 85   and name HB1 ))
      6.000     4.500     0.000 peak  2420 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.441 ppm2      1.988 CV     1
 ASSI { 2421}
   (( segid "    " and resid 150  and name HA  ))
   (( segid "    " and resid 150  and name HD2 ))
      6.000     4.500     0.000 peak  2421 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.025 ppm2      3.119 CV     1
 ASSI { 2422}
   (( segid "    " and resid 150  and name HA  ))
   (( segid "    " and resid 150  and name HD1 ))
      6.000     4.500     0.000 peak  2422 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.025 ppm2      2.965 CV     1
 ASSI { 2423}
   (( segid "    " and resid 150  and name HA  ))
   (( segid "    " and resid 150  and name HG2 ))
      6.000     4.500     0.000 peak  2423 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.029 ppm2      1.466 CV     1
 ASSI { 2424}
   (( segid "    " and resid 150  and name HA  ))
   (  segid "    " and resid 151  and name HB% )
      6.000     4.500     0.000 peak  2424 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.027 ppm2      1.248 CV     1
 ASSI { 2428}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 27   and name HB1 ))
      6.000     4.500     0.000 peak  2428 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.211 ppm2      2.920 CV     1
 ASSI { 2429}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 27   and name HB2 ))
      6.000     4.500     0.000 peak  2429 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.211 ppm2      2.577 CV     1
 ASSI { 2431}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 23   and name HB1 ))
      6.000     4.500     0.000 peak  2431 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.163 ppm2      1.964 CV     1
 OR { 2431}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 23   and name HB2 ))
 ASSI { 2432}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 23   and name HD1 ))
      6.000     4.500     0.000 peak  2432 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.163 ppm2      1.706 CV     1
 ASSI { 2433}
   (( segid "    " and resid 20   and name HA  ))
   (  segid "    " and resid 20   and name HB% )
      6.000     4.500     0.000 peak  2433 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.161 ppm2      1.454 CV     1
 ASSI { 2435}
   (( segid "    " and resid 21   and name HA  ))
   (  segid "    " and resid 21   and name HB% )
      6.000     4.500     0.000 peak  2435 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.137 ppm2      1.567 CV     1
 ASSI { 2436}
   (( segid "    " and resid 21   and name HA  ))
   (  segid "    " and resid 96   and name HD1%)
      6.000     4.500     0.000 peak  2436 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.134 ppm2      1.164 CV     1
 OR { 2436}
   (( segid "    " and resid 21   and name HA  ))
   (  segid "    " and resid 96   and name HD2%)
 ASSI { 2437}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 96   and name HB1 ))
      6.000     4.500     0.000 peak  2437 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.136 ppm2      0.972 CV     1
 ASSI { 2438}
   (( segid "    " and resid 21   and name HA  ))
   (  segid "    " and resid 76   and name HG2%)
      6.000     4.500     0.000 peak  2438 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.134 ppm2      0.831 CV     1
 ASSI { 2440}
   (( segid "    " and resid 153  and name HA  ))
   (( segid "    " and resid 153  and name HB1 ))
      6.000     4.500     0.000 peak  2440 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.575 ppm2      2.761 CV     1
 ASSI { 2441}
   (( segid "    " and resid 153  and name HA  ))
   (( segid "    " and resid 153  and name HB2 ))
      6.000     4.500     0.000 peak  2441 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.576 ppm2      2.591 CV     1
 ASSI { 2442}
   (( segid "    " and resid 153  and name HA  ))
   (( segid "    " and resid 154  and name HB2 ))
      6.000     4.500     0.000 peak  2442 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.575 ppm2      1.399 CV     1
 OR { 2442}
   (( segid "    " and resid 153  and name HA  ))
   (( segid "    " and resid 154  and name HB1 ))
 ASSI { 2444}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 30   and name HG2 ))
      6.000     4.500     0.000 peak  2444 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.247 ppm2      2.186 CV     1
 ASSI { 2445}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 68   and name HB1 ))
      6.000     4.500     0.000 peak  2445 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.243 ppm2      2.272 CV     1
 OR { 2445}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 68   and name HB2 ))
 ASSI { 2446}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 64   and name HB2 ))
      6.000     4.500     0.000 peak  2446 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.236 ppm2      1.742 CV     1
 ASSI { 2447}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 64   and name HG  ))
      6.000     4.500     0.000 peak  2447 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.236 ppm2      0.763 CV     1
 ASSI { 2448}
   (( segid "    " and resid 134  and name HA  ))
   (( segid "    " and resid 134  and name HB1 ))
      6.000     4.500     0.000 peak  2448 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.553 ppm2      2.298 CV     1
 OR { 2448}
   (( segid "    " and resid 134  and name HA  ))
   (( segid "    " and resid 134  and name HG1 ))
 ASSI { 2450}
   (( segid "    " and resid 134  and name HA  ))
   (( segid "    " and resid 134  and name HB2 ))
      6.000     4.500     0.000 peak  2450 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.555 ppm2      1.768 CV     1
 ASSI { 2451}
   (( segid "    " and resid 139  and name HA  ))
   (( segid "    " and resid 139  and name HB1 ))
      6.000     4.500     0.000 peak  2451 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.514 ppm2      3.044 CV     1
 ASSI { 2452}
   (( segid "    " and resid 139  and name HA  ))
   (( segid "    " and resid 139  and name HB2 ))
      6.000     4.500     0.000 peak  2452 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.517 ppm2      2.603 CV     1
 ASSI { 2454}
   (( segid "    " and resid 121  and name HA  ))
   (( segid "    " and resid 121  and name HG2 ))
      6.000     4.500     0.000 peak  2454 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.134 ppm2      0.705 CV     1
 ASSI { 2456}
   (( segid "    " and resid 111  and name HA  ))
   (( segid "    " and resid 111  and name HB1 ))
      6.000     4.500     0.000 peak  2456 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.910 ppm2      0.914 CV     1
 ASSI { 2457}
   (( segid "    " and resid 111  and name HA  ))
   (  segid "    " and resid 70   and name HD1%)
      6.000     4.500     0.000 peak  2457 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.913 ppm2      0.507 CV     1
 ASSI { 2458}
   (( segid "    " and resid 111  and name HA  ))
   (  segid "    " and resid 111  and name HD2%)
      6.000     4.500     0.000 peak  2458 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.912 ppm2      0.364 CV     1
 ASSI { 2459}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 11   and name HB2 ))
      6.000     4.500     0.000 peak  2459 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.506 ppm2      0.965 CV     1
 ASSI { 2460}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 11   and name HB1 ))
      6.000     4.500     0.000 peak  2460 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.503 ppm2      1.246 CV     1
 ASSI { 2462}
   (( segid "    " and resid 121  and name HA  ))
   (( segid "    " and resid 121  and name HG1 ))
      6.000     4.500     0.000 peak  2462 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.133 ppm2      1.333 CV     1
 ASSI { 2464}
   (( segid "    " and resid 155  and name HA  ))
   (( segid "    " and resid 155  and name HG  ))
      6.000     4.500     0.000 peak  2464 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.466 ppm2      0.785 CV     1
 ASSI { 2465}
   (( segid "    " and resid 155  and name HA  ))
   (( segid "    " and resid 156  and name HB1 ))
      6.000     4.500     0.000 peak  2465 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.461 ppm2      2.859 CV     1
 OR { 2465}
   (( segid "    " and resid 155  and name HA  ))
   (( segid "    " and resid 156  and name HB2 ))
 ASSI { 2466}
   (( segid "    " and resid 155  and name HA  ))
   (( segid "    " and resid 154  and name HB1 ))
      6.000     4.500     0.000 peak  2466 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.464 ppm2      1.392 CV     1
 OR { 2466}
   (( segid "    " and resid 155  and name HA  ))
   (( segid "    " and resid 154  and name HB2 ))
 ASSI { 2471}
   (( segid "    " and resid 86   and name HA  ))
   (( segid "    " and resid 87   and name HB1 ))
      6.000     4.500     0.000 peak  2471 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.305 ppm2      2.009 CV     1
 OR { 2471}
   (( segid "    " and resid 86   and name HA  ))
   (( segid "    " and resid 87   and name HB2 ))
 ASSI { 2472}
   (( segid "    " and resid 86   and name HA  ))
   (  segid "    " and resid 86   and name HB% )
      6.000     4.500     0.000 peak  2472 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.305 ppm2      1.448 CV     1
 ASSI { 2475}
   (( segid "    " and resid 12   and name HA  ))
   (  segid "    " and resid 12   and name HB% )
      6.000     4.500     0.000 peak  2475 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.888 ppm2      1.244 CV     1
 ASSI { 2477}
   (( segid "    " and resid 151  and name HA  ))
   (( segid "    " and resid 150  and name HB1 ))
      6.000     4.500     0.000 peak  2477 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.090 ppm2      0.950 CV     1
 ASSI { 2478}
   (( segid "    " and resid 151  and name HA  ))
   (  segid "    " and resid 151  and name HB% )
      6.000     4.500     0.000 peak  2478 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.081 ppm2      1.208 CV     1
 ASSI { 2480}
   (( segid "    " and resid 114  and name HD1 ))
   (  segid "    " and resid 113  and name HG1%)
      6.000     4.500     0.000 peak  2480 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.184 ppm2      1.180 CV     1
 ASSI { 2482}
   (( segid "    " and resid 114  and name HD1 ))
   (( segid "    " and resid 114  and name HD2 ))
      6.000     4.500     0.000 peak  2482 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.171 ppm2      3.689 CV     1
 ASSI { 2483}
   (( segid "    " and resid 114  and name HD1 ))
   (( segid "    " and resid 114  and name HG2 ))
      6.000     4.500     0.000 peak  2483 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.171 ppm2      2.464 CV     1
 ASSI { 2484}
   (( segid "    " and resid 114  and name HD1 ))
   (( segid "    " and resid 114  and name HG1 ))
      6.000     4.500     0.000 peak  2484 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.172 ppm2      2.006 CV     1
 ASSI { 2485}
   (( segid "    " and resid 114  and name HD1 ))
   (( segid "    " and resid 114  and name HB2 ))
      6.000     4.500     0.000 peak  2485 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.162 ppm2      2.902 CV     1
 ASSI { 2487}
   (( segid "    " and resid 114  and name HD2 ))
   (( segid "    " and resid 114  and name HG2 ))
      6.000     4.500     0.000 peak  2487 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.686 ppm2      2.465 CV     1
 ASSI { 2488}
   (( segid "    " and resid 114  and name HD2 ))
   (  segid "    " and resid 105  and name HG2%)
      6.000     4.500     0.000 peak  2488 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.692 ppm2      1.048 CV     1
 OR { 2488}
   (( segid "    " and resid 114  and name HD2 ))
   (  segid "    " and resid 105  and name HG1%)
 ASSI { 2489}
   (( segid "    " and resid 44   and name HD2 ))
   (( segid "    " and resid 44   and name HD1 ))
      6.000     4.500     0.000 peak  2489 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.117 ppm2      3.844 CV     1
 ASSI { 2493}
   (( segid "    " and resid 138  and name HD2 ))
   (  segid "    " and resid 105  and name HG2%)
      6.000     4.500     0.000 peak  2493 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.037 ppm2      1.066 CV     1
 OR { 2493}
   (( segid "    " and resid 138  and name HD1 ))
   (  segid "    " and resid 105  and name HG2%)
 ASSI { 2494}
   (( segid "    " and resid 138  and name HD2 ))
   (( segid "    " and resid 137  and name HB1 ))
      6.000     4.500     0.000 peak  2494 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.025 ppm2      3.394 CV     1
 OR { 2494}
   (( segid "    " and resid 138  and name HD1 ))
   (( segid "    " and resid 137  and name HB1 ))
 ASSI { 2495}
   (( segid "    " and resid 138  and name HD2 ))
   (( segid "    " and resid 137  and name HB2 ))
      6.000     4.500     0.000 peak  2495 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.031 ppm2      3.245 CV     1
 OR { 2495}
   (( segid "    " and resid 138  and name HD1 ))
   (( segid "    " and resid 137  and name HB2 ))
 ASSI { 2504}
   (( segid "    " and resid 51   and name HD1 ))
   (( segid "    " and resid 51   and name HD2 ))
      6.000     4.500     0.000 peak  2504 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.862 ppm2      3.419 CV     1
 ASSI { 2506}
   (( segid "    " and resid 51   and name HD1 ))
   (( segid "    " and resid 51   and name HG2 ))
      6.000     4.500     0.000 peak  2506 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.859 ppm2      1.889 CV     1
 ASSI { 2512}
   (( segid "    " and resid 43   and name HD1 ))
   (( segid "    " and resid 43   and name HG1 ))
      6.000     4.500     0.000 peak  2512 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.836 ppm2      2.180 CV     1
 OR { 2512}
   (( segid "    " and resid 43   and name HD2 ))
   (( segid "    " and resid 43   and name HG2 ))
 OR { 2512}
   (( segid "    " and resid 43   and name HD2 ))
   (( segid "    " and resid 43   and name HG1 ))
 OR { 2512}
   (( segid "    " and resid 43   and name HD1 ))
   (( segid "    " and resid 43   and name HG2 ))
 ASSI { 2513}
   (( segid "    " and resid 43   and name HD2 ))
   (  segid "    " and resid 42   and name HG2%)
      6.000     4.500     0.000 peak  2513 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.828 ppm2      1.445 CV     1
 OR { 2513}
   (( segid "    " and resid 43   and name HD1 ))
   (  segid "    " and resid 42   and name HG2%)
 ASSI { 2515}
   (( segid "    " and resid 29   and name HD2 ))
   (( segid "    " and resid 29   and name HG2 ))
      6.000     4.500     0.000 peak  2515 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.672 ppm2      2.038 CV     1
 ASSI { 2516}
   (( segid "    " and resid 29   and name HD2 ))
   (( segid "    " and resid 29   and name HD1 ))
      6.000     4.500     0.000 peak  2516 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.668 ppm2      2.754 CV     1
 ASSI { 2517}
   (( segid "    " and resid 29   and name HD2 ))
   (( segid "    " and resid 28   and name HB  ))
      6.000     4.500     0.000 peak  2517 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.667 ppm2      1.583 CV     1
 ASSI { 2518}
   (( segid "    " and resid 29   and name HD2 ))
   (( segid "    " and resid 64   and name HG  ))
      6.000     4.500     0.000 peak  2518 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.668 ppm2      0.752 CV     1
 ASSI { 2519}
   (( segid "    " and resid 29   and name HD2 ))
   (  segid "    " and resid 28   and name HG2%)
      6.000     4.500     0.000 peak  2519 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.668 ppm2      0.594 CV     1
 ASSI { 2522}
   (( segid "    " and resid 51   and name HD2 ))
   (( segid "    " and resid 10   and name HB1 ))
      6.000     4.500     0.000 peak  2522 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.426 ppm2      2.427 CV     1
 ASSI { 2529}
   (( segid "    " and resid 29   and name HD1 ))
   (( segid "    " and resid 64   and name HG  ))
      6.000     4.500     0.000 peak  2529 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.764 ppm2      0.749 CV     1
 ASSI { 2534}
   (( segid "    " and resid 65   and name HA  ))
   (( segid "    " and resid 66   and name HD2 ))
      6.000     4.500     0.000 peak  2534 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.602 ppm2      3.621 CV     1
 ASSI { 2535}
   (( segid "    " and resid 65   and name HA  ))
   (( segid "    " and resid 66   and name HD1 ))
      6.000     4.500     0.000 peak  2535 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.602 ppm2      3.446 CV     1
 ASSI { 2538}
   (( segid "    " and resid 127  and name HD1 ))
   (( segid "    " and resid 127  and name HD2 ))
      6.000     4.500     0.000 peak  2538 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.402 ppm2      3.225 CV     1
 ASSI { 2539}
   (( segid "    " and resid 127  and name HD1 ))
   (( segid "    " and resid 127  and name HB2 ))
      6.000     4.500     0.000 peak  2539 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.398 ppm2      2.719 CV     1
 ASSI { 2540}
   (( segid "    " and resid 127  and name HD1 ))
   (( segid "    " and resid 127  and name HG1 ))
      6.000     4.500     0.000 peak  2540 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.398 ppm2      1.566 CV     1
 ASSI { 2541}
   (( segid "    " and resid 127  and name HD1 ))
   (( segid "    " and resid 154  and name HB2 ))
      6.000     4.500     0.000 peak  2541 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.398 ppm2      1.402 CV     1
 OR { 2541}
   (( segid "    " and resid 127  and name HD1 ))
   (( segid "    " and resid 154  and name HB1 ))
 ASSI { 2542}
   (( segid "    " and resid 127  and name HD1 ))
   (( segid "    " and resid 126  and name HB2 ))
      6.000     4.500     0.000 peak  2542 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.391 ppm2      2.956 CV     1
 ASSI { 2543}
   (( segid "    " and resid 127  and name HD1 ))
   (( segid "    " and resid 155  and name HG  ))
      6.000     4.500     0.000 peak  2543 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.394 ppm2      0.798 CV     1
 ASSI { 2544}
   (( segid "    " and resid 127  and name HD1 ))
   (  segid "    " and resid 155  and name HD1%)
      6.000     4.500     0.000 peak  2544 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.390 ppm2      0.514 CV     1
 ASSI { 2546}
   (( segid "    " and resid 127  and name HD2 ))
   (( segid "    " and resid 126  and name HB2 ))
      6.000     4.500     0.000 peak  2546 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.229 ppm2      2.960 CV     1
 ASSI { 2547}
   (( segid "    " and resid 127  and name HD2 ))
   (( segid "    " and resid 127  and name HB2 ))
      6.000     4.500     0.000 peak  2547 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.231 ppm2      2.719 CV     1
 ASSI { 2548}
   (( segid "    " and resid 127  and name HD2 ))
   (( segid "    " and resid 155  and name HB2 ))
      6.000     4.500     0.000 peak  2548 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.233 ppm2      1.417 CV     1
 OR { 2548}
   (( segid "    " and resid 127  and name HD2 ))
   (( segid "    " and resid 155  and name HB1 ))
 ASSI { 2549}
   (( segid "    " and resid 127  and name HD2 ))
   (( segid "    " and resid 127  and name HG2 ))
      6.000     4.500     0.000 peak  2549 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.226 ppm2      2.047 CV     1
 ASSI { 2550}
   (( segid "    " and resid 127  and name HD2 ))
   (( segid "    " and resid 127  and name HG1 ))
      6.000     4.500     0.000 peak  2550 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.225 ppm2      1.564 CV     1
 ASSI { 2551}
   (( segid "    " and resid 127  and name HD2 ))
   (  segid "    " and resid 155  and name HD1%)
      6.000     4.500     0.000 peak  2551 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.227 ppm2      0.508 CV     1
 OR { 2551}
   (( segid "    " and resid 127  and name HD2 ))
   (  segid "    " and resid 155  and name HD2%)
 ASSI { 2553}
   (( segid "    " and resid 65   and name HA  ))
   (  segid "    " and resid 65   and name HB% )
      6.000     4.500     0.000 peak  2553 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.602 ppm2      1.457 CV     1
 ASSI { 2554}
   (( segid "    " and resid 14   and name HD1 ))
   (( segid "    " and resid 14   and name HB2 ))
      6.000     4.500     0.000 peak  2554 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.730 ppm2      1.157 CV     1
 ASSI { 2556}
   (( segid "    " and resid 14   and name HD1 ))
   (( segid "    " and resid 14   and name HG1 ))
      6.000     4.500     0.000 peak  2556 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.731 ppm2      1.450 CV     1
 ASSI { 2557}
   (( segid "    " and resid 14   and name HD2 ))
   (( segid "    " and resid 14   and name HB2 ))
      6.000     4.500     0.000 peak  2557 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.620 ppm2      1.157 CV     1
 ASSI { 2559}
   (( segid "    " and resid 14   and name HD2 ))
   (( segid "    " and resid 14   and name HG2 ))
      6.000     4.500     0.000 peak  2559 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.611 ppm2      2.168 CV     1
 ASSI { 2561}
   (( segid "    " and resid 91   and name HD1 ))
   (( segid "    " and resid 90   and name HA1 ))
      6.000     4.500     0.000 peak  2561 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.683 ppm2      4.334 CV     1
 ASSI { 2566}
   (( segid "    " and resid 91   and name HD2 ))
   (( segid "    " and resid 90   and name HA1 ))
      6.000     4.500     0.000 peak  2566 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.494 ppm2      4.334 CV     1
 ASSI { 2567}
   (( segid "    " and resid 91   and name HD2 ))
   (( segid "    " and resid 90   and name HA2 ))
      6.000     4.500     0.000 peak  2567 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.497 ppm2      3.928 CV     1
 ASSI { 2568}
   (( segid "    " and resid 91   and name HD2 ))
   (( segid "    " and resid 91   and name HD1 ))
      6.000     4.500     0.000 peak  2568 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.493 ppm2      3.673 CV     1
 ASSI { 2569}
   (( segid "    " and resid 91   and name HD2 ))
   (( segid "    " and resid 91   and name HG2 ))
      6.000     4.500     0.000 peak  2569 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.495 ppm2      2.068 CV     1
 OR { 2569}
   (( segid "    " and resid 91   and name HD2 ))
   (( segid "    " and resid 91   and name HG1 ))
 ASSI { 2570}
   (( segid "    " and resid 133  and name HD1 ))
   (( segid "    " and resid 133  and name HD2 ))
      6.000     4.500     0.000 peak  2570 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.435 ppm2      3.118 CV     1
 ASSI { 2575}
   (( segid "    " and resid 133  and name HD2 ))
   (( segid "    " and resid 133  and name HG2 ))
      6.000     4.500     0.000 peak  2575 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.120 ppm2      1.797 CV     1
 OR { 2575}
   (( segid "    " and resid 133  and name HD2 ))
   (( segid "    " and resid 133  and name HG1 ))
 ASSI { 2576}
   (( segid "    " and resid 66   and name HD2 ))
   (( segid "    " and resid 66   and name HB2 ))
      6.000     4.500     0.000 peak  2576 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.633 ppm2      1.296 CV     1
 ASSI { 2578}
   (( segid "    " and resid 66   and name HD2 ))
   (( segid "    " and resid 66   and name HD1 ))
      6.000     4.500     0.000 peak  2578 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.629 ppm2      3.426 CV     1
 ASSI { 2579}
   (( segid "    " and resid 66   and name HD2 ))
   (( segid "    " and resid 66   and name HG1 ))
      6.000     4.500     0.000 peak  2579 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.627 ppm2      1.744 CV     1
 ASSI { 2580}
   (( segid "    " and resid 66   and name HD2 ))
   (  segid "    " and resid 65   and name HB% )
      6.000     4.500     0.000 peak  2580 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.626 ppm2      1.454 CV     1
 ASSI { 2581}
   (( segid "    " and resid 66   and name HD2 ))
   (( segid "    " and resid 66   and name HG2 ))
      6.000     4.500     0.000 peak  2581 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.627 ppm2      0.775 CV     1
 ASSI { 2582}
   (( segid "    " and resid 66   and name HD2 ))
   (( segid "    " and resid 66   and name HB1 ))
      6.000     4.500     0.000 peak  2582 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.625 ppm2      0.564 CV     1
 ASSI { 2585}
   (( segid "    " and resid 66   and name HD1 ))
   (( segid "    " and resid 66   and name HG1 ))
      6.000     4.500     0.000 peak  2585 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.430 ppm2      1.775 CV     1
 ASSI { 2586}
   (( segid "    " and resid 133  and name HD1 ))
   (( segid "    " and resid 133  and name HB2 ))
      6.000     4.500     0.000 peak  2586 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.431 ppm2      1.598 CV     1
 ASSI { 2587}
   (( segid "    " and resid 66   and name HD1 ))
   (  segid "    " and resid 65   and name HB% )
      6.000     4.500     0.000 peak  2587 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.428 ppm2      1.457 CV     1
 ASSI { 2588}
   (( segid "    " and resid 66   and name HD1 ))
   (( segid "    " and resid 66   and name HB2 ))
      6.000     4.500     0.000 peak  2588 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.426 ppm2      1.295 CV     1
 ASSI { 2589}
   (( segid "    " and resid 133  and name HD1 ))
   (  segid "    " and resid 132  and name HB% )
      6.000     4.500     0.000 peak  2589 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.432 ppm2      1.007 CV     1
 ASSI { 2590}
   (( segid "    " and resid 66   and name HD1 ))
   (( segid "    " and resid 66   and name HG2 ))
      6.000     4.500     0.000 peak  2590 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.427 ppm2      0.787 CV     1
 ASSI { 2591}
   (( segid "    " and resid 66   and name HD1 ))
   (( segid "    " and resid 66   and name HB1 ))
      6.000     4.500     0.000 peak  2591 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.423 ppm2      0.573 CV     1
 ASSI { 2592}
   (( segid "    " and resid 133  and name HD2 ))
   (  segid "    " and resid 132  and name HB% )
      6.000     4.500     0.000 peak  2592 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.130 ppm2      1.011 CV     1
 ASSI { 2593}
   (( segid "    " and resid 133  and name HD2 ))
   (( segid "    " and resid 133  and name HB2 ))
      6.000     4.500     0.000 peak  2593 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.117 ppm2      1.608 CV     1
 ASSI { 2594}
   (( segid "    " and resid 100  and name HB2 ))
   (( segid "    " and resid 100  and name HG  ))
      6.000     4.500     0.000 peak  2594 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.816 ppm2      1.610 CV     1
 ASSI { 2595}
   (( segid "    " and resid 100  and name HB1 ))
   (  segid "    " and resid 100  and name HD2%)
      6.000     4.500     0.000 peak  2595 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.019 ppm2      0.673 CV     1
 ASSI { 2596}
   (( segid "    " and resid 100  and name HB1 ))
   (( segid "    " and resid 4    and name HB1 ))
      6.000     4.500     0.000 peak  2596 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.007 ppm2      2.732 CV     1
 ASSI { 2598}
   (( segid "    " and resid 100  and name HB1 ))
   (( segid "    " and resid 100  and name HB2 ))
      6.000     4.500     0.000 peak  2598 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.996 ppm2      1.809 CV     1
 ASSI { 2599}
   (( segid "    " and resid 100  and name HB1 ))
   (( segid "    " and resid 100  and name HG  ))
      6.000     4.500     0.000 peak  2599 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.001 ppm2      1.614 CV     1
 ASSI { 2600}
   (( segid "    " and resid 100  and name HB1 ))
   (  segid "    " and resid 100  and name HD1%)
      6.000     4.500     0.000 peak  2600 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.998 ppm2      1.071 CV     1
 ASSI { 2602}
   (( segid "    " and resid 100  and name HB2 ))
   (( segid "    " and resid 4    and name HB1 ))
      6.000     4.500     0.000 peak  2602 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.813 ppm2      2.735 CV     1
 ASSI { 2603}
   (( segid "    " and resid 100  and name HB2 ))
   (  segid "    " and resid 100  and name HD1%)
      6.000     4.500     0.000 peak  2603 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.814 ppm2      1.082 CV     1
 ASSI { 2607}
   (( segid "    " and resid 11   and name HB1 ))
   (( segid "    " and resid 11   and name HB2 ))
      6.000     4.500     0.000 peak  2607 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.250 ppm2      0.958 CV     1
 ASSI { 2612}
   (( segid "    " and resid 11   and name HB2 ))
   (  segid "    " and resid 11   and name HD1%)
      6.000     4.500     0.000 peak  2612 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.953 ppm2      0.740 CV     1
 OR { 2612}
   (( segid "    " and resid 11   and name HB2 ))
   (  segid "    " and resid 11   and name HD2%)
 ASSI { 2615}
   (( segid "    " and resid 122  and name HA2 ))
   (( segid "    " and resid 122  and name HA1 ))
      6.000     4.500     0.000 peak  2615 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.159 ppm2      2.873 CV     1
 ASSI { 2616}
   (( segid "    " and resid 122  and name HA2 ))
   (( segid "    " and resid 125  and name HB2 ))
      6.000     4.500     0.000 peak  2616 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.163 ppm2      1.063 CV     1
 ASSI { 2617}
   (( segid "    " and resid 122  and name HA2 ))
   (( segid "    " and resid 125  and name HG  ))
      6.000     4.500     0.000 peak  2617 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.160 ppm2      0.339 CV     1
 ASSI { 2618}
   (( segid "    " and resid 122  and name HA2 ))
   (( segid "    " and resid 152  and name HB1 ))
      6.000     4.500     0.000 peak  2618 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.145 ppm2      2.706 CV     1
 ASSI { 2619}
   (( segid "    " and resid 102  and name HA1 ))
   (( segid "    " and resid 1    and name HA  ))
      6.000     4.500     0.000 peak  2619 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.897 ppm2      3.619 CV     1
 OR { 2619}
   (( segid "    " and resid 102  and name HA2 ))
   (( segid "    " and resid 1    and name HA  ))
 ASSI { 2620}
   (( segid "    " and resid 102  and name HA1 ))
   (( segid "    " and resid 103  and name HB1 ))
      6.000     4.500     0.000 peak  2620 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.884 ppm2      3.008 CV     1
 OR { 2620}
   (( segid "    " and resid 102  and name HA2 ))
   (( segid "    " and resid 103  and name HB1 ))
 ASSI { 2621}
   (( segid "    " and resid 102  and name HA1 ))
   (( segid "    " and resid 103  and name HB2 ))
      6.000     4.500     0.000 peak  2621 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.884 ppm2      2.669 CV     1
 OR { 2621}
   (( segid "    " and resid 102  and name HA2 ))
   (( segid "    " and resid 103  and name HB2 ))
 ASSI { 2622}
   (( segid "    " and resid 102  and name HA1 ))
   (( segid "    " and resid 104  and name HG1 ))
      6.000     4.500     0.000 peak  2622 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.883 ppm2      2.608 CV     1
 OR { 2622}
   (( segid "    " and resid 102  and name HA2 ))
   (( segid "    " and resid 104  and name HG1 ))
 ASSI { 2623}
   (( segid "    " and resid 102  and name HA1 ))
   (( segid "    " and resid 104  and name HG2 ))
      6.000     4.500     0.000 peak  2623 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.885 ppm2      2.550 CV     1
 OR { 2623}
   (( segid "    " and resid 102  and name HA2 ))
   (( segid "    " and resid 104  and name HG2 ))
 ASSI { 2625}
   (( segid "    " and resid 102  and name HA1 ))
   (( segid "    " and resid 1    and name HG21))
      6.000     4.500     0.000 peak  2625 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.888 ppm2      0.558 CV     1
 OR { 2625}
   (( segid "    " and resid 102  and name HA2 ))
   (( segid "    " and resid 1    and name HG21))
 ASSI { 2627}
   (( segid "    " and resid 122  and name HA1 ))
   (( segid "    " and resid 152  and name HB2 ))
      6.000     4.500     0.000 peak  2627 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.884 ppm2      3.368 CV     1
 ASSI { 2628}
   (( segid "    " and resid 122  and name HA1 ))
   (( segid "    " and resid 125  and name HB1 ))
      6.000     4.500     0.000 peak  2628 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.880 ppm2      0.955 CV     1
 ASSI { 2629}
   (( segid "    " and resid 122  and name HA1 ))
   (( segid "    " and resid 125  and name HG  ))
      6.000     4.500     0.000 peak  2629 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.880 ppm2      0.330 CV     1
 ASSI { 2630}
   (( segid "    " and resid 122  and name HA1 ))
   (  segid "    " and resid 147  and name HD2%)
      6.000     4.500     0.000 peak  2630 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.879 ppm2     -0.571 CV     1
 ASSI { 2631}
   (( segid "    " and resid 122  and name HA1 ))
   (( segid "    " and resid 125  and name HB2 ))
      6.000     4.500     0.000 peak  2631 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.875 ppm2      1.053 CV     1
 ASSI { 2632}
   (( segid "    " and resid 122  and name HA1 ))
   (( segid "    " and resid 155  and name HG  ))
      6.000     4.500     0.000 peak  2632 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.867 ppm2      0.799 CV     1
 ASSI { 2633}
   (( segid "    " and resid 11   and name HB1 ))
   (( segid "    " and resid 93   and name HA  ))
      6.000     4.500     0.000 peak  2633 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.254 ppm2      4.016 CV     1
 ASSI { 2635}
   (( segid "    " and resid 60   and name HB1 ))
   (  segid "    " and resid 60   and name HD2%)
      6.000     4.500     0.000 peak  2635 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.848 ppm2      0.721 CV     1
 ASSI { 2638}
   (( segid "    " and resid 60   and name HB1 ))
   (( segid "    " and resid 60   and name HB2 ))
      6.000     4.500     0.000 peak  2638 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.846 ppm2      1.011 CV     1
 ASSI { 2641}
   (( segid "    " and resid 60   and name HB2 ))
   (  segid "    " and resid 25   and name HD1%)
      6.000     4.500     0.000 peak  2641 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.033 ppm2      0.844 CV     1
 OR { 2641}
   (( segid "    " and resid 60   and name HB2 ))
   (  segid "    " and resid 25   and name HD2%)
 ASSI { 2643}
   (( segid "    " and resid 60   and name HB2 ))
   (( segid "    " and resid 5    and name HG11))
      6.000     4.500     0.000 peak  2643 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.023 ppm2      1.575 CV     1
 OR { 2643}
   (( segid "    " and resid 60   and name HB2 ))
   (( segid "    " and resid 5    and name HG12))
 ASSI { 2645}
   (( segid "    " and resid 60   and name HB2 ))
   (  segid "    " and resid 60   and name HD2%)
      6.000     4.500     0.000 peak  2645 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.026 ppm2      0.712 CV     1
 ASSI { 2647}
   (( segid "    " and resid 81   and name HA1 ))
   (( segid "    " and resid 81   and name HA2 ))
      6.000     4.500     0.000 peak  2647 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.129 ppm2      3.848 CV     1
 ASSI { 2650}
   (( segid "    " and resid 26   and name HA2 ))
   (  segid "    " and resid 33   and name HD1%)
      6.000     4.500     0.000 peak  2650 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.979 ppm2      0.904 CV     1
 ASSI { 2653}
   (( segid "    " and resid 26   and name HA1 ))
   (  segid "    " and resid 33   and name HD1%)
      6.000     4.500     0.000 peak  2653 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.881 ppm2      0.907 CV     1
 ASSI { 2656}
   (( segid "    " and resid 55   and name HB1 ))
   (( segid "    " and resid 55   and name HB2 ))
      6.000     4.500     0.000 peak  2656 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.360 ppm2      2.226 CV     1
 ASSI { 2657}
   (( segid "    " and resid 55   and name HB1 ))
   (( segid "    " and resid 127  and name HG2 ))
      6.000     4.500     0.000 peak  2657 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.361 ppm2      2.070 CV     1
 ASSI { 2661}
   (( segid "    " and resid 111  and name HB2 ))
   (( segid "    " and resid 111  and name HA  ))
      6.000     4.500     0.000 peak  2661 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.342 ppm2      3.911 CV     1
 ASSI { 2662}
   (( segid "    " and resid 111  and name HB2 ))
   (( segid "    " and resid 111  and name HB1 ))
      6.000     4.500     0.000 peak  2662 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.341 ppm2      0.922 CV     1
 ASSI { 2663}
   (( segid "    " and resid 111  and name HB2 ))
   (  segid "    " and resid 111  and name HD1%)
      6.000     4.500     0.000 peak  2663 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.343 ppm2      0.343 CV     1
 ASSI { 2666}
   (( segid "    " and resid 111  and name HB1 ))
   (  segid "    " and resid 70   and name HD1%)
      6.000     6.000     0.000 peak  2666 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.922 ppm2      0.492 CV     1
 ASSI { 2667}
   (( segid "    " and resid 111  and name HB1 ))
   (  segid "    " and resid 111  and name HD1%)
      6.000     4.500     0.000 peak  2667 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.912 ppm2      0.349 CV     1
 ASSI { 2668}
   (( segid "    " and resid 140  and name HA1 ))
   (( segid "    " and resid 140  and name HA2 ))
      6.000     4.500     0.000 peak  2668 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.408 ppm2      3.530 CV     1
 ASSI { 2669}
   (( segid "    " and resid 140  and name HA1 ))
   (  segid "    " and resid 136  and name HG2%)
      6.000     4.500     0.000 peak  2669 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.408 ppm2      1.028 CV     1
 ASSI { 2671}
   (( segid "    " and resid 140  and name HA2 ))
   (  segid "    " and resid 136  and name HG2%)
      6.000     4.500     0.000 peak  2671 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.533 ppm2      1.030 CV     1
 ASSI { 2672}
   (( segid "    " and resid 95   and name HB1 ))
   (( segid "    " and resid 95   and name HB2 ))
      6.000     4.500     0.000 peak  2672 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.973 ppm2      2.271 CV     1
 ASSI { 2673}
   (( segid "    " and resid 121  and name HD1 ))
   (( segid "    " and resid 121  and name HG1 ))
      6.000     4.500     0.000 peak  2673 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.439 ppm2      1.341 CV     1
 ASSI { 2674}
   (( segid "    " and resid 121  and name HD1 ))
   (  segid "    " and resid 45   and name HD1%)
      6.000     4.500     0.000 peak  2674 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.412 ppm2      0.838 CV     1
 ASSI { 2675}
   (( segid "    " and resid 121  and name HD2 ))
   (( segid "    " and resid 121  and name HB2 ))
      6.000     4.500     0.000 peak  2675 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.373 ppm2      0.853 CV     1
 ASSI { 2676}
   (( segid "    " and resid 121  and name HD2 ))
   (( segid "    " and resid 121  and name HG2 ))
      6.000     4.500     0.000 peak  2676 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.360 ppm2      0.718 CV     1
 ASSI { 2677}
   (( segid "    " and resid 121  and name HD2 ))
   (( segid "    " and resid 121  and name HB1 ))
      6.000     4.500     0.000 peak  2677 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.359 ppm2     -0.662 CV     1
 ASSI { 2681}
   (( segid "    " and resid 95   and name HB2 ))
   (( segid "    " and resid 94   and name HG  ))
      6.000     4.500     0.000 peak  2681 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.273 ppm2      1.491 CV     1
 ASSI { 2684}
   (( segid "    " and resid 94   and name HB1 ))
   (  segid "    " and resid 76   and name HG2%)
      6.000     4.500     0.000 peak  2684 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.538 ppm2      0.838 CV     1
 OR { 2684}
   (( segid "    " and resid 94   and name HB2 ))
   (  segid "    " and resid 76   and name HG2%)
 ASSI { 2685}
   (( segid "    " and resid 94   and name HB1 ))
   (( segid "    " and resid 80   and name HB2 ))
      6.000     4.500     0.000 peak  2685 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.531 ppm2      1.788 CV     1
 OR { 2685}
   (( segid "    " and resid 94   and name HB2 ))
   (( segid "    " and resid 80   and name HB2 ))
 ASSI { 2686}
   (( segid "    " and resid 90   and name HA1 ))
   (( segid "    " and resid 90   and name HA2 ))
      6.000     4.500     0.000 peak  2686 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.332 ppm2      3.926 CV     1
 ASSI { 2690}
   (( segid "    " and resid 90   and name HA2 ))
   (( segid "    " and resid 91   and name HD1 ))
      6.000     4.500     0.000 peak  2690 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.933 ppm2      3.678 CV     1
 ASSI { 2693}
   (( segid "    " and resid 90   and name HA2 ))
   (( segid "    " and resid 48   and name HB1 ))
      6.000     4.500     0.000 peak  2693 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.925 ppm2      2.046 CV     1
 ASSI { 2694}
   (( segid "    " and resid 121  and name HD2 ))
   (( segid "    " and resid 121  and name HG1 ))
      6.000     4.500     0.000 peak  2694 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.360 ppm2      1.351 CV     1
 ASSI { 2695}
   (( segid "    " and resid 54   and name HB1 ))
   (( segid "    " and resid 54   and name HB2 ))
      6.000     4.500     0.000 peak  2695 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.955 ppm2      0.380 CV     1
 ASSI { 2696}
   (( segid "    " and resid 54   and name HB1 ))
   (  segid "    " and resid 54   and name HD2%)
      6.000     4.500     0.000 peak  2696 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.952 ppm2     -0.635 CV     1
 OR { 2696}
   (( segid "    " and resid 54   and name HB1 ))
   (  segid "    " and resid 54   and name HD1%)
 ASSI { 2697}
   (( segid "    " and resid 54   and name HB1 ))
   (  segid "    " and resid 18   and name HG2%)
      6.000     4.500     0.000 peak  2697 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.942 ppm2      0.642 CV     1
 ASSI { 2699}
   (( segid "    " and resid 54   and name HB2 ))
   (( segid "    " and resid 14   and name HB2 ))
      6.000     4.500     0.000 peak  2699 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.392 ppm2      1.144 CV     1
 ASSI { 2702}
   (( segid "    " and resid 54   and name HB2 ))
   (( segid "    " and resid 54   and name HG  ))
      6.000     4.500     0.000 peak  2702 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.385 ppm2      0.249 CV     1
 ASSI { 2703}
   (( segid "    " and resid 54   and name HB2 ))
   (  segid "    " and resid 54   and name HD1%)
      6.000     4.500     0.000 peak  2703 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.382 ppm2     -0.633 CV     1
 OR { 2703}
   (( segid "    " and resid 54   and name HB2 ))
   (  segid "    " and resid 54   and name HD2%)
 ASSI { 2706}
   (( segid "    " and resid 117  and name HB1 ))
   (( segid "    " and resid 117  and name HB2 ))
      6.000     4.500     0.000 peak  2706 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.523 ppm2      0.879 CV     1
 ASSI { 2708}
   (( segid "    " and resid 144  and name HD2 ))
   (( segid "    " and resid 144  and name HB1 ))
      6.000     4.500     0.000 peak  2708 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.393 ppm2      2.125 CV     1
 ASSI { 2721}
   (( segid "    " and resid 144  and name HD2 ))
   (( segid "    " and resid 144  and name HB2 ))
      6.000     4.500     0.000 peak  2721 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.388 ppm2      1.794 CV     1
 ASSI { 2722}
   (( segid "    " and resid 144  and name HD2 ))
   (( segid "    " and resid 144  and name HG1 ))
      6.000     4.500     0.000 peak  2722 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.387 ppm2      1.598 CV     1
 ASSI { 2723}
   (( segid "    " and resid 144  and name HD1 ))
   (( segid "    " and resid 144  and name HB1 ))
      6.000     4.500     0.000 peak  2723 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.277 ppm2      2.127 CV     1
 ASSI { 2724}
   (( segid "    " and resid 144  and name HD1 ))
   (( segid "    " and resid 144  and name HG1 ))
      6.000     4.500     0.000 peak  2724 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.276 ppm2      1.609 CV     1
 ASSI { 2725}
   (( segid "    " and resid 84   and name HD1 ))
   (( segid "    " and resid 84   and name HA  ))
      6.000     4.500     0.000 peak  2725 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.236 ppm2      4.268 CV     1
 OR { 2725}
   (( segid "    " and resid 84   and name HD2 ))
   (( segid "    " and resid 84   and name HA  ))
 ASSI { 2726}
   (( segid "    " and resid 84   and name HD1 ))
   (( segid "    " and resid 82   and name HG1 ))
      6.000     4.500     0.000 peak  2726 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.237 ppm2      1.804 CV     1
 OR { 2726}
   (( segid "    " and resid 84   and name HD2 ))
   (( segid "    " and resid 82   and name HG1 ))
 ASSI { 2727}
   (( segid "    " and resid 84   and name HD1 ))
   (( segid "    " and resid 84   and name HG2 ))
      6.000     4.500     0.000 peak  2727 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.232 ppm2      1.670 CV     1
 OR { 2727}
   (( segid "    " and resid 84   and name HD2 ))
   (( segid "    " and resid 84   and name HG1 ))
 OR { 2727}
   (( segid "    " and resid 84   and name HD2 ))
   (( segid "    " and resid 84   and name HG2 ))
 OR { 2727}
   (( segid "    " and resid 84   and name HD1 ))
   (( segid "    " and resid 84   and name HG1 ))
 ASSI { 2728}
   (( segid "    " and resid 84   and name HD1 ))
   (  segid "    " and resid 83   and name HG1%)
      6.000     4.500     0.000 peak  2728 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.234 ppm2      0.978 CV     1
 OR { 2728}
   (( segid "    " and resid 84   and name HD2 ))
   (  segid "    " and resid 83   and name HG1%)
 OR { 2728}
   (( segid "    " and resid 84   and name HD1 ))
   (  segid "    " and resid 83   and name HG2%)
 ASSI { 2738}
   (( segid "    " and resid 88   and name HD2 ))
   (( segid "    " and resid 88   and name HD1 ))
      6.000     4.500     0.000 peak  2738 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.914 ppm2      2.729 CV     1
 ASSI { 2739}
   (( segid "    " and resid 88   and name HD2 ))
   (( segid "    " and resid 88   and name HB2 ))
      6.000     4.500     0.000 peak  2739 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.913 ppm2      1.691 CV     1
 ASSI { 2740}
   (( segid "    " and resid 88   and name HD2 ))
   (( segid "    " and resid 88   and name HB1 ))
      6.000     4.500     0.000 peak  2740 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.912 ppm2      1.520 CV     1
 ASSI { 2741}
   (( segid "    " and resid 88   and name HD1 ))
   (( segid "    " and resid 88   and name HA  ))
      6.000     4.500     0.000 peak  2741 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.737 ppm2      4.076 CV     1
 ASSI { 2750}
   (( segid "    " and resid 34   and name HB1 ))
   (  segid "    " and resid 34   and name HD2%)
      6.000     4.500     0.000 peak  2750 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.677 ppm2      0.825 CV     1
 OR { 2750}
   (( segid "    " and resid 34   and name HB1 ))
   (  segid "    " and resid 34   and name HD1%)
 ASSI { 2752}
   (( segid "    " and resid 34   and name HB2 ))
   (  segid "    " and resid 34   and name HD1%)
      6.000     4.500     0.000 peak  2752 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.562 ppm2      0.825 CV     1
 OR { 2752}
   (( segid "    " and resid 34   and name HB2 ))
   (  segid "    " and resid 34   and name HD2%)
 ASSI { 2753}
   (( segid "    " and resid 34   and name HB2 ))
   (( segid "    " and resid 34   and name HB1 ))
      6.000     4.500     0.000 peak  2753 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.553 ppm2      1.680 CV     1
 ASSI { 2766}
   (( segid "    " and resid 125  and name HB2 ))
   (  segid "    " and resid 147  and name HD2%)
      6.000     4.500     0.000 peak  2766 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.068 ppm2     -0.561 CV     1
 ASSI { 2771}
   (( segid "    " and resid 96   and name HB1 ))
   (( segid "    " and resid 76   and name HB  ))
      6.000     4.500     0.000 peak  2771 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.959 ppm2      1.876 CV     1
 ASSI { 2773}
   (( segid "    " and resid 125  and name HB1 ))
   (  segid "    " and resid 125  and name HD1%)
      6.000     4.500     0.000 peak  2773 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.955 ppm2      0.477 CV     1
 OR { 2773}
   (( segid "    " and resid 125  and name HB1 ))
   (  segid "    " and resid 125  and name HD2%)
 ASSI { 2774}
   (( segid "    " and resid 125  and name HB1 ))
   (( segid "    " and resid 125  and name HG  ))
      6.000     4.500     0.000 peak  2774 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.959 ppm2      0.326 CV     1
 ASSI { 2775}
   (( segid "    " and resid 125  and name HB1 ))
   (  segid "    " and resid 147  and name HD2%)
      6.000     4.500     0.000 peak  2775 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.955 ppm2     -0.568 CV     1
 ASSI { 2779}
   (( segid "    " and resid 75   and name HD1 ))
   (( segid "    " and resid 75   and name HD2 ))
      6.000     4.500     0.000 peak  2779 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.352 ppm2      3.192 CV     1
 ASSI { 2781}
   (( segid "    " and resid 75   and name HD1 ))
   (( segid "    " and resid 75   and name HB2 ))
      6.000     4.500     0.000 peak  2781 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.353 ppm2      2.333 CV     1
 ASSI { 2783}
   (( segid "    " and resid 75   and name HD1 ))
   (( segid "    " and resid 75   and name HG1 ))
      6.000     4.500     0.000 peak  2783 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.353 ppm2      1.682 CV     1
 ASSI { 2785}
   (( segid "    " and resid 41   and name HD1 ))
   (( segid "    " and resid 158  and name HA  ))
      6.000     4.500     0.000 peak  2785 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.193 ppm2      3.979 CV     1
 ASSI { 2786}
   (( segid "    " and resid 75   and name HD2 ))
   (( segid "    " and resid 75   and name HB2 ))
      6.000     4.500     0.000 peak  2786 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.189 ppm2      2.344 CV     1
 ASSI { 2787}
   (( segid "    " and resid 75   and name HD2 ))
   (( segid "    " and resid 75   and name HG1 ))
      6.000     4.500     0.000 peak  2787 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.190 ppm2      1.704 CV     1
 ASSI { 2788}
   (( segid "    " and resid 41   and name HD1 ))
   (( segid "    " and resid 41   and name HD2 ))
      6.000     4.500     0.000 peak  2788 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.185 ppm2      2.844 CV     1
 ASSI { 2789}
   (( segid "    " and resid 41   and name HD1 ))
   (( segid "    " and resid 52   and name HB2 ))
      6.000     4.500     0.000 peak  2789 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.183 ppm2      2.681 CV     1
 ASSI { 2791}
   (( segid "    " and resid 41   and name HD2 ))
   (( segid "    " and resid 158  and name HA  ))
      6.000     4.500     0.000 peak  2791 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.846 ppm2      3.975 CV     1
 ASSI { 2793}
   (( segid "    " and resid 41   and name HD2 ))
   (( segid "    " and resid 41   and name HB1 ))
      6.000     4.500     0.000 peak  2793 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.843 ppm2      1.750 CV     1
 OR { 2793}
   (( segid "    " and resid 41   and name HD2 ))
   (( segid "    " and resid 41   and name HB2 ))
 ASSI { 2794}
   (( segid "    " and resid 41   and name HD2 ))
   (( segid "    " and resid 41   and name HG2 ))
      6.000     4.500     0.000 peak  2794 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.847 ppm2      1.598 CV     1
 ASSI { 2795}
   (( segid "    " and resid 41   and name HD2 ))
   (( segid "    " and resid 41   and name HG1 ))
      6.000     4.500     0.000 peak  2795 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.838 ppm2      1.292 CV     1
 ASSI { 2800}
   (( segid "    " and resid 64   and name HB1 ))
   (( segid "    " and resid 64   and name HA  ))
      6.000     4.500     0.000 peak  2800 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.493 ppm2      4.234 CV     1
 ASSI { 2801}
   (( segid "    " and resid 64   and name HB1 ))
   (( segid "    " and resid 64   and name HB2 ))
      6.000     4.500     0.000 peak  2801 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.492 ppm2      1.749 CV     1
 ASSI { 2802}
   (( segid "    " and resid 64   and name HB1 ))
   (( segid "    " and resid 64   and name HG  ))
      6.000     4.500     0.000 peak  2802 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.490 ppm2      0.762 CV     1
 ASSI { 2808}
   (( segid "    " and resid 96   and name HB1 ))
   (( segid "    " and resid 96   and name HB2 ))
      6.000     4.500     0.000 peak  2808 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.952 ppm2      2.152 CV     1
 ASSI { 2811}
   (( segid "    " and resid 92   and name HD2 ))
   (( segid "    " and resid 48   and name HB1 ))
      6.000     4.500     0.000 peak  2811 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.534 ppm2      2.048 CV     1
 ASSI { 2816}
   (( segid "    " and resid 92   and name HD1 ))
   (( segid "    " and resid 48   and name HB1 ))
      6.000     4.500     0.000 peak  2816 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.353 ppm2      2.054 CV     1
 ASSI { 2819}
   (( segid "    " and resid 41   and name HD1 ))
   (( segid "    " and resid 41   and name HG1 ))
      6.000     4.500     0.000 peak  2819 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.185 ppm2      1.292 CV     1
 ASSI { 2820}
   (( segid "    " and resid 25   and name HB1 ))
   (( segid "    " and resid 25   and name HA  ))
      6.000     4.500     0.000 peak  2820 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.123 ppm2      3.909 CV     1
 ASSI { 2821}
   (( segid "    " and resid 25   and name HB1 ))
   (( segid "    " and resid 25   and name HG  ))
      6.000     4.500     0.000 peak  2821 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.132 ppm2      1.976 CV     1
 ASSI { 2823}
   (( segid "    " and resid 25   and name HB1 ))
   (( segid "    " and resid 25   and name HB2 ))
      6.000     4.500     0.000 peak  2823 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.131 ppm2      1.196 CV     1
 ASSI { 2824}
   (( segid "    " and resid 25   and name HB1 ))
   (  segid "    " and resid 25   and name HD2%)
      6.000     4.500     0.000 peak  2824 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.133 ppm2      0.845 CV     1
 OR { 2824}
   (( segid "    " and resid 25   and name HB1 ))
   (  segid "    " and resid 25   and name HD1%)
 ASSI { 2827}
   (( segid "    " and resid 135  and name HB1 ))
   (( segid "    " and resid 143  and name HB2 ))
      6.000     4.500     0.000 peak  2827 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.732 ppm2      2.213 CV     1
 ASSI { 2829}
   (( segid "    " and resid 135  and name HB1 ))
   (  segid "    " and resid 135  and name HD2%)
      6.000     4.500     0.000 peak  2829 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.731 ppm2      0.377 CV     1
 ASSI { 2830}
   (( segid "    " and resid 135  and name HB1 ))
   (  segid "    " and resid 135  and name HD1%)
      6.000     4.500     0.000 peak  2830 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.731 ppm2      0.116 CV     1
 ASSI { 2831}
   (( segid "    " and resid 15   and name HB2 ))
   (( segid "    " and resid 16   and name HG1 ))
      6.000     4.500     0.000 peak  2831 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.729 ppm2      2.379 CV     1
 OR { 2831}
   (( segid "    " and resid 15   and name HB2 ))
   (( segid "    " and resid 16   and name HG2 ))
 ASSI { 2833}
   (( segid "    " and resid 135  and name HB2 ))
   (( segid "    " and resid 135  and name HA  ))
      6.000     4.500     0.000 peak  2833 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.317 ppm2      3.844 CV     1
 ASSI { 2834}
   (( segid "    " and resid 135  and name HB2 ))
   (  segid "    " and resid 135  and name HD1%)
      6.000     4.500     0.000 peak  2834 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.320 ppm2      0.113 CV     1
 ASSI { 2835}
   (( segid "    " and resid 135  and name HB2 ))
   (  segid "    " and resid 135  and name HD2%)
      6.000     4.500     0.000 peak  2835 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.312 ppm2      0.378 CV     1
 ASSI { 2837}
   (( segid "    " and resid 25   and name HB2 ))
   (  segid "    " and resid 25   and name HD1%)
      6.000     4.500     0.000 peak  2837 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.200 ppm2      0.847 CV     1
 OR { 2837}
   (( segid "    " and resid 25   and name HB2 ))
   (  segid "    " and resid 25   and name HD2%)
 ASSI { 2845}
   (( segid "    " and resid 150  and name HD2 ))
   (( segid "    " and resid 150  and name HG2 ))
      6.000     4.500     0.000 peak  2845 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.114 ppm2      1.475 CV     1
 ASSI { 2846}
   (( segid "    " and resid 150  and name HD2 ))
   (( segid "    " and resid 150  and name HB2 ))
      6.000     4.500     0.000 peak  2846 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.116 ppm2      1.265 CV     1
 ASSI { 2848}
   (( segid "    " and resid 150  and name HD2 ))
   (  segid "    " and resid 146  and name HG2%)
      6.000     4.500     0.000 peak  2848 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.116 ppm2      0.752 CV     1
 ASSI { 2850}
   (( segid "    " and resid 150  and name HD1 ))
   (( segid "    " and resid 150  and name HB2 ))
      6.000     4.500     0.000 peak  2850 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.009 ppm2      1.298 CV     1
 ASSI { 2855}
   (( segid "    " and resid 150  and name HD1 ))
   (  segid "    " and resid 125  and name HD1%)
      6.000     4.500     0.000 peak  2855 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.973 ppm2      0.487 CV     1
 ASSI { 2856}
   (( segid "    " and resid 157  and name HE2 ))
   (( segid "    " and resid 157  and name HG2 ))
      6.000     4.500     0.000 peak  2856 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.958 ppm2      1.624 CV     1
 OR { 2856}
   (( segid "    " and resid 157  and name HE1 ))
   (( segid "    " and resid 157  and name HG2 ))
 ASSI { 2858}
   (( segid "    " and resid 128  and name HB2 ))
   (( segid "    " and resid 128  and name HG  ))
      6.000     4.500     0.000 peak  2858 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.043 ppm2      0.309 CV     1
 ASSI { 2860}
   (( segid "    " and resid 128  and name HB2 ))
   (( segid "    " and resid 128  and name HB1 ))
      6.000     4.500     0.000 peak  2860 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.036 ppm2      1.221 CV     1
 ASSI { 2861}
   (( segid "    " and resid 128  and name HB2 ))
   (  segid "    " and resid 128  and name HD1%)
      6.000     4.500     0.000 peak  2861 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.039 ppm2      0.585 CV     1
 OR { 2861}
   (( segid "    " and resid 128  and name HB2 ))
   (  segid "    " and resid 128  and name HD2%)
 ASSI { 2864}
   (( segid "    " and resid 15   and name HB2 ))
   (  segid "    " and resid 15   and name HD1%)
      6.000     4.500     0.000 peak  2864 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.726 ppm2      1.008 CV     1
 OR { 2864}
   (( segid "    " and resid 15   and name HB2 ))
   (  segid "    " and resid 15   and name HD2%)
 ASSI { 2865}
   (( segid "    " and resid 15   and name HB2 ))
   (  segid "    " and resid 54   and name HD2%)
      6.000     4.500     0.000 peak  2865 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.709 ppm2     -0.627 CV     1
 OR { 2865}
   (( segid "    " and resid 15   and name HB2 ))
   (  segid "    " and resid 54   and name HD1%)
 ASSI { 2868}
   (( segid "    " and resid 45   and name HB2 ))
   (( segid "    " and resid 45   and name HG  ))
      6.000     4.500     0.000 peak  2868 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.608 ppm2      1.346 CV     1
 OR { 2868}
   (( segid "    " and resid 45   and name HB1 ))
   (( segid "    " and resid 45   and name HG  ))
 ASSI { 2869}
   (( segid "    " and resid 45   and name HB1 ))
   (  segid "    " and resid 45   and name HD2%)
      6.000     4.500     0.000 peak  2869 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.610 ppm2      1.055 CV     1
 OR { 2869}
   (( segid "    " and resid 45   and name HB2 ))
   (  segid "    " and resid 45   and name HD2%)
 ASSI { 2870}
   (( segid "    " and resid 45   and name HB2 ))
   (  segid "    " and resid 45   and name HD1%)
      6.000     4.500     0.000 peak  2870 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.611 ppm2      0.845 CV     1
 OR { 2870}
   (( segid "    " and resid 45   and name HB1 ))
   (  segid "    " and resid 45   and name HD1%)
 ASSI { 2872}
   (( segid "    " and resid 106  and name HB  ))
   (( segid "    " and resid 106  and name HA  ))
      6.000     4.500     0.000 peak  2872 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.453 ppm2      4.314 CV     1
 ASSI { 2876}
   (( segid "    " and resid 15   and name HB1 ))
   (( segid "    " and resid 15   and name HB2 ))
      6.000     4.500     0.000 peak  2876 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.275 ppm2      1.723 CV     1
 ASSI { 2877}
   (( segid "    " and resid 15   and name HB1 ))
   (  segid "    " and resid 15   and name HD2%)
      6.000     4.500     0.000 peak  2877 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.276 ppm2      1.004 CV     1
 OR { 2877}
   (( segid "    " and resid 15   and name HB1 ))
   (  segid "    " and resid 15   and name HD1%)
 ASSI { 2878}
   (( segid "    " and resid 15   and name HB1 ))
   (( segid "    " and resid 15   and name HG  ))
      6.000     4.500     0.000 peak  2878 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.268 ppm2      1.504 CV     1
 ASSI { 2882}
   (( segid "    " and resid 128  and name HB1 ))
   (  segid "    " and resid 128  and name HD2%)
      6.000     4.500     0.000 peak  2882 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.224 ppm2      0.596 CV     1
 OR { 2882}
   (( segid "    " and resid 128  and name HB1 ))
   (  segid "    " and resid 128  and name HD1%)
 ASSI { 2883}
   (( segid "    " and resid 128  and name HB1 ))
   (( segid "    " and resid 128  and name HG  ))
      6.000     4.500     0.000 peak  2883 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.229 ppm2      0.313 CV     1
 ASSI { 2884}
   (( segid "    " and resid 128  and name HB1 ))
   (( segid "    " and resid 128  and name HA  ))
      6.000     4.500     0.000 peak  2884 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.217 ppm2      3.855 CV     1
 ASSI { 2885}
   (( segid "    " and resid 150  and name HD1 ))
   (( segid "    " and resid 150  and name HB1 ))
      6.000     4.500     0.000 peak  2885 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.001 ppm2      0.970 CV     1
 ASSI { 2887}
   (( segid "    " and resid 154  and name HE1 ))
   (( segid "    " and resid 154  and name HB2 ))
      6.000     4.500     0.000 peak  2887 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.854 ppm2      1.399 CV     1
 OR { 2887}
   (( segid "    " and resid 154  and name HE1 ))
   (( segid "    " and resid 154  and name HB1 ))
 OR { 2887}
   (( segid "    " and resid 154  and name HE2 ))
   (( segid "    " and resid 154  and name HB2 ))
 ASSI { 2888}
   (( segid "    " and resid 154  and name HE1 ))
   (( segid "    " and resid 154  and name HG2 ))
      6.000     4.500     0.000 peak  2888 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.855 ppm2      1.197 CV     1
 OR { 2888}
   (( segid "    " and resid 154  and name HE2 ))
   (( segid "    " and resid 154  and name HG2 ))
 ASSI { 2889}
   (( segid "    " and resid 154  and name HE1 ))
   (( segid "    " and resid 154  and name HG1 ))
      6.000     4.500     0.000 peak  2889 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.856 ppm2      0.738 CV     1
 OR { 2889}
   (( segid "    " and resid 154  and name HE2 ))
   (( segid "    " and resid 154  and name HG1 ))
 ASSI { 2891}
   (( segid "    " and resid 27   and name HB2 ))
   (( segid "    " and resid 27   and name HB1 ))
      6.000     4.500     0.000 peak  2891 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.591 ppm2      2.932 CV     1
 ASSI { 2894}
   (( segid "    " and resid 143  and name HB2 ))
   (( segid "    " and resid 143  and name HG  ))
      6.000     4.500     0.000 peak  2894 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.212 ppm2      0.965 CV     1
 ASSI { 2895}
   (( segid "    " and resid 143  and name HB2 ))
   (( segid "    " and resid 143  and name HB1 ))
      6.000     4.500     0.000 peak  2895 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.206 ppm2      1.358 CV     1
 ASSI { 2898}
   (( segid "    " and resid 128  and name HB2 ))
   (( segid "    " and resid 143  and name HG  ))
      6.000     4.500     0.000 peak  2898 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.038 ppm2      0.974 CV     1
 ASSI { 2900}
   (( segid "    " and resid 78   and name HB1 ))
   (( segid "    " and resid 78   and name HB2 ))
      6.000     4.500     0.000 peak  2900 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.957 ppm2      1.795 CV     1
 ASSI { 2901}
   (( segid "    " and resid 78   and name HB1 ))
   (( segid "    " and resid 78   and name HG  ))
      6.000     4.500     0.000 peak  2901 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.959 ppm2      0.985 CV     1
 ASSI { 2909}
   (( segid "    " and resid 106  and name HB  ))
   (  segid "    " and resid 106  and name HG2%)
      6.000     4.500     0.000 peak  2909 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.451 ppm2      0.921 CV     1
 ASSI { 2910}
   (( segid "    " and resid 106  and name HB  ))
   (  segid "    " and resid 106  and name HD1%)
      6.000     4.500     0.000 peak  2910 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.453 ppm2      0.643 CV     1
 ASSI { 2918}
   (( segid "    " and resid 22   and name HB2 ))
   (( segid "    " and resid 22   and name HA  ))
      6.000     4.500     0.000 peak  2918 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.063 ppm2      3.977 CV     1
 ASSI { 2919}
   (( segid "    " and resid 22   and name HB2 ))
   (( segid "    " and resid 22   and name HB1 ))
      6.000     4.500     0.000 peak  2919 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.068 ppm2      1.476 CV     1
 ASSI { 2920}
   (( segid "    " and resid 22   and name HB2 ))
   (  segid "    " and resid 22   and name HD1%)
      6.000     4.500     0.000 peak  2920 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.061 ppm2      1.134 CV     1
 ASSI { 2926}
   (( segid "    " and resid 5    and name HB  ))
   (  segid "    " and resid 5    and name HG2%)
      6.000     4.500     0.000 peak  2926 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.785 ppm2      0.853 CV     1
 ASSI { 2927}
   (( segid "    " and resid 5    and name HB  ))
   (( segid "    " and resid 5    and name HG11))
      6.000     4.500     0.000 peak  2927 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.779 ppm2      1.603 CV     1
 OR { 2927}
   (( segid "    " and resid 5    and name HB  ))
   (( segid "    " and resid 5    and name HG12))
 ASSI { 2928}
   (( segid "    " and resid 22   and name HB1 ))
   (( segid "    " and resid 22   and name HA  ))
      6.000     4.500     0.000 peak  2928 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.468 ppm2      3.974 CV     1
 ASSI { 2930}
   (( segid "    " and resid 22   and name HB1 ))
   (  segid "    " and resid 22   and name HD1%)
      6.000     4.500     0.000 peak  2930 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.467 ppm2      1.132 CV     1
 ASSI { 2932}
   (( segid "    " and resid 147  and name HB2 ))
   (( segid "    " and resid 147  and name HB1 ))
      6.000     4.500     0.000 peak  2932 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.092 ppm2      0.647 CV     1
 ASSI { 2933}
   (( segid "    " and resid 147  and name HB2 ))
   (  segid "    " and resid 147  and name HD1%)
      6.000     4.500     0.000 peak  2933 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.093 ppm2     -0.460 CV     1
 ASSI { 2934}
   (( segid "    " and resid 147  and name HB2 ))
   (  segid "    " and resid 147  and name HD2%)
      6.000     4.500     0.000 peak  2934 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.095 ppm2     -0.570 CV     1
 ASSI { 2936}
   (( segid "    " and resid 147  and name HB2 ))
   (( segid "    " and resid 147  and name HG  ))
      6.000     4.500     0.000 peak  2936 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.091 ppm2      0.875 CV     1
 ASSI { 2939}
   (( segid "    " and resid 70   and name HB1 ))
   (  segid "    " and resid 98   and name HG2%)
      6.000     4.500     0.000 peak  2939 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.022 ppm2      0.807 CV     1
 ASSI { 2940}
   (( segid "    " and resid 70   and name HB1 ))
   (  segid "    " and resid 70   and name HD1%)
      6.000     4.500     0.000 peak  2940 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.019 ppm2      0.491 CV     1
 ASSI { 2941}
   (( segid "    " and resid 70   and name HB1 ))
   (  segid "    " and resid 111  and name HD1%)
      6.000     4.500     0.000 peak  2941 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.017 ppm2      0.349 CV     1
 ASSI { 2944}
   (( segid "    " and resid 147  and name HB1 ))
   (( segid "    " and resid 147  and name HG  ))
      6.000     4.500     0.000 peak  2944 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.655 ppm2      0.868 CV     1
 ASSI { 2945}
   (( segid "    " and resid 147  and name HB1 ))
   (  segid "    " and resid 147  and name HD2%)
      6.000     4.500     0.000 peak  2945 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.656 ppm2     -0.570 CV     1
 ASSI { 2947}
   (( segid "    " and resid 101  and name HB2 ))
   (( segid "    " and resid 101  and name HB1 ))
      6.000     4.500     0.000 peak  2947 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.335 ppm2      2.329 CV     1
 ASSI { 2949}
   (( segid "    " and resid 101  and name HB2 ))
   (  segid "    " and resid 113  and name HG1%)
      6.000     6.000     0.000 peak  2949 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.333 ppm2      1.175 CV     1
 ASSI { 2950}
   (( segid "    " and resid 101  and name HB2 ))
   (( segid "    " and resid 98   and name HG11))
      6.000     4.500     0.000 peak  2950 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.335 ppm2      0.978 CV     1
 ASSI { 2952}
   (( segid "    " and resid 40   and name HB1 ))
   (  segid "    " and resid 155  and name HD2%)
      6.000     4.500     0.000 peak  2952 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.062 ppm2      0.498 CV     1
 OR { 2952}
   (( segid "    " and resid 40   and name HB1 ))
   (  segid "    " and resid 155  and name HD1%)
 ASSI { 2953}
   (( segid "    " and resid 40   and name HB1 ))
   (( segid "    " and resid 155  and name HB1 ))
      6.000     4.500     0.000 peak  2953 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.054 ppm2      1.430 CV     1
 OR { 2953}
   (( segid "    " and resid 40   and name HB1 ))
   (( segid "    " and resid 155  and name HB2 ))
 ASSI { 2954}
   (( segid "    " and resid 40   and name HB2 ))
   (  segid "    " and resid 155  and name HD1%)
      6.000     4.500     0.000 peak  2954 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.694 ppm2      0.500 CV     1
 OR { 2954}
   (( segid "    " and resid 40   and name HB2 ))
   (  segid "    " and resid 155  and name HD2%)
 ASSI { 2956}
   (( segid "    " and resid 153  and name HB2 ))
   (( segid "    " and resid 154  and name HG1 ))
      6.000     4.500     0.000 peak  2956 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.594 ppm2      0.781 CV     1
 ASSI { 2959}
   (( segid "    " and resid 101  and name HB1 ))
   (( segid "    " and resid 98   and name HG11))
      6.000     4.500     0.000 peak  2959 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.325 ppm2      0.981 CV     1
 ASSI { 2964}
   (( segid "    " and resid 70   and name HB1 ))
   (( segid "    " and resid 98   and name HG12))
      6.000     4.500     0.000 peak  2964 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.023 ppm2      1.862 CV     1
 ASSI { 2968}
   (( segid "    " and resid 53   and name HB1 ))
   (( segid "    " and resid 53   and name HB2 ))
      6.000     4.500     0.000 peak  2968 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.911 ppm2      2.247 CV     1
 ASSI { 2973}
   (( segid "    " and resid 52   and name HB2 ))
   (( segid "    " and resid 52   and name HB1 ))
      6.000     4.500     0.000 peak  2973 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.646 ppm2      2.433 CV     1
 ASSI { 2975}
   (( segid "    " and resid 52   and name HB2 ))
   (( segid "    " and resid 41   and name HB2 ))
      6.000     4.500     0.000 peak  2975 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.649 ppm2      1.751 CV     1
 OR { 2975}
   (( segid "    " and resid 52   and name HB2 ))
   (( segid "    " and resid 41   and name HB1 ))
 ASSI { 2976}
   (( segid "    " and resid 52   and name HB2 ))
   (( segid "    " and resid 41   and name HG1 ))
      6.000     4.500     0.000 peak  2976 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.642 ppm2      1.326 CV     1
 ASSI { 2978}
   (( segid "    " and resid 97   and name HB2 ))
   (( segid "    " and resid 97   and name HB1 ))
      6.000     4.500     0.000 peak  2978 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.530 ppm2      2.363 CV     1
 ASSI { 2980}
   (( segid "    " and resid 97   and name HB2 ))
   (( segid "    " and resid 70   and name HG  ))
      6.000     4.500     0.000 peak  2980 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.523 ppm2      1.347 CV     1
 ASSI { 2982}
   (( segid "    " and resid 52   and name HB1 ))
   (( segid "    " and resid 41   and name HG2 ))
      6.000     4.500     0.000 peak  2982 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.428 ppm2      1.593 CV     1
 ASSI { 2987}
   (( segid "    " and resid 119  and name HE2 ))
   (( segid "    " and resid 119  and name HB1 ))
      6.000     4.500     0.000 peak  2987 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.303 ppm2      1.659 CV     1
 ASSI { 2988}
   (( segid "    " and resid 119  and name HE2 ))
   (( segid "    " and resid 119  and name HE1 ))
      6.000     4.500     0.000 peak  2988 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.305 ppm2      1.502 CV     1
 ASSI { 2990}
   (( segid "    " and resid 119  and name HE2 ))
   (( segid "    " and resid 119  and name HG2 ))
      6.000     4.500     0.000 peak  2990 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.301 ppm2      1.308 CV     1
 ASSI { 2993}
   (( segid "    " and resid 69   and name HB1 ))
   (( segid "    " and resid 69   and name HB2 ))
      6.000     4.500     0.000 peak  2993 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.208 ppm2      1.326 CV     1
 ASSI { 2997}
   (( segid "    " and resid 7    and name HB  ))
   (( segid "    " and resid 96   and name HB1 ))
      6.000     4.500     0.000 peak  2997 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.486 ppm2      0.974 CV     1
 ASSI { 2999}
   (( segid "    " and resid 69   and name HB2 ))
   (( segid "    " and resid 64   and name HB1 ))
      6.000     4.500     0.000 peak  2999 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.330 ppm2      1.489 CV     1
 ASSI { 3001}
   (( segid "    " and resid 139  and name HB1 ))
   (( segid "    " and resid 139  and name HB2 ))
      6.000     4.500     0.000 peak  3001 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.045 ppm2      2.594 CV     1
 ASSI { 3003}
   (( segid "    " and resid 156  and name HB1 ))
   (( segid "    " and resid 154  and name HB1 ))
      6.000     4.500     0.000 peak  3003 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.866 ppm2      1.403 CV     1
 OR { 3003}
   (( segid "    " and resid 156  and name HB1 ))
   (( segid "    " and resid 154  and name HB2 ))
 OR { 3003}
   (( segid "    " and resid 156  and name HB2 ))
   (( segid "    " and resid 154  and name HB1 ))
 ASSI { 3007}
   (( segid "    " and resid 4    and name HB1 ))
   (  segid "    " and resid 100  and name HD2%)
      6.000     4.500     0.000 peak  3007 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.760 ppm2      0.661 CV     1
 ASSI { 3009}
   (( segid "    " and resid 4    and name HB1 ))
   (( segid "    " and resid 128  and name HB2 ))
      6.000     4.500     0.000 peak  3009 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.752 ppm2      2.066 CV     1
 ASSI { 3015}
   (( segid "    " and resid 4    and name HB1 ))
   (( segid "    " and resid 128  and name HG  ))
      6.000     4.500     0.000 peak  3015 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.745 ppm2      0.306 CV     1
 ASSI { 3022}
   (( segid "    " and resid 120  and name HB2 ))
   (( segid "    " and resid 120  and name HB1 ))
      6.000     4.500     0.000 peak  3022 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.524 ppm2      3.006 CV     1
 ASSI { 3023}
   (( segid "    " and resid 69   and name HB1 ))
   (( segid "    " and resid 69   and name HA  ))
      6.000     4.500     0.000 peak  3023 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.214 ppm2      4.206 CV     1
 ASSI { 3024}
   (( segid "    " and resid 69   and name HB1 ))
   (( segid "    " and resid 69   and name HG  ))
      6.000     4.500     0.000 peak  3024 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.221 ppm2      1.627 CV     1
 ASSI { 3025}
   (( segid "    " and resid 69   and name HB1 ))
   (  segid "    " and resid 69   and name HD1%)
      6.000     4.500     0.000 peak  3025 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.216 ppm2      1.026 CV     1
 ASSI { 3028}
   (( segid "    " and resid 7    and name HB  ))
   (  segid "    " and resid 7    and name HG2%)
      6.000     4.500     0.000 peak  3028 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.474 ppm2      0.780 CV     1
 ASSI { 3029}
   (( segid "    " and resid 7    and name HB  ))
   (  segid "    " and resid 18   and name HG1%)
      6.000     4.500     0.000 peak  3029 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.471 ppm2      0.247 CV     1
 ASSI { 3030}
   (( segid "    " and resid 69   and name HB2 ))
   (( segid "    " and resid 64   and name HG  ))
      6.000     4.500     0.000 peak  3030 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.340 ppm2      0.773 CV     1
 ASSI { 3032}
   (( segid "    " and resid 69   and name HB2 ))
   (( segid "    " and resid 69   and name HG  ))
      6.000     4.500     0.000 peak  3032 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.328 ppm2      1.622 CV     1
 ASSI { 3033}
   (( segid "    " and resid 69   and name HB2 ))
   (( segid "    " and resid 98   and name HG11))
      6.000     4.500     0.000 peak  3033 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.327 ppm2      0.993 CV     1
 ASSI { 3036}
   (( segid "    " and resid 129  and name HB1 ))
   (( segid "    " and resid 133  and name HB1 ))
      6.000     4.500     0.000 peak  3036 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.883 ppm2      1.495 CV     1
 ASSI { 3037}
   (( segid "    " and resid 156  and name HB2 ))
   (( segid "    " and resid 41   and name HB1 ))
      6.000     4.500     0.000 peak  3037 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.873 ppm2      1.743 CV     1
 OR { 3037}
   (( segid "    " and resid 156  and name HB1 ))
   (( segid "    " and resid 41   and name HB1 ))
 OR { 3037}
   (( segid "    " and resid 156  and name HB2 ))
   (( segid "    " and resid 41   and name HB2 ))
 ASSI { 3040}
   (( segid "    " and resid 152  and name HB2 ))
   (  segid "    " and resid 147  and name HD2%)
      6.000     4.500     0.000 peak  3040 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.387 ppm2     -0.569 CV     1
 ASSI { 3041}
   (( segid "    " and resid 152  and name HB2 ))
   (( segid "    " and resid 152  and name HB1 ))
      6.000     4.500     0.000 peak  3041 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.382 ppm2      2.679 CV     1
 ASSI { 3042}
   (( segid "    " and resid 129  and name HB2 ))
   (  segid "    " and resid 147  and name HD1%)
      6.000     4.500     0.000 peak  3042 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.191 ppm2     -0.461 CV     1
 ASSI { 3044}
   (( segid "    " and resid 129  and name HB2 ))
   (( segid "    " and resid 129  and name HB1 ))
      6.000     4.500     0.000 peak  3044 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.179 ppm2      2.900 CV     1
 ASSI { 3049}
   (( segid "    " and resid 129  and name HB1 ))
   (  segid "    " and resid 147  and name HD1%)
      6.000     4.500     0.000 peak  3049 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.901 ppm2     -0.462 CV     1
 ASSI { 3051}
   (( segid "    " and resid 152  and name HB1 ))
   (  segid "    " and resid 147  and name HD2%)
      6.000     4.500     0.000 peak  3051 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.679 ppm2     -0.571 CV     1
 ASSI { 3061}
   (( segid "    " and resid 10   and name HB1 ))
   (( segid "    " and resid 10   and name HB2 ))
      6.000     4.500     0.000 peak  3061 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.384 ppm2      0.643 CV     1
 ASSI { 3066}
   (( segid "    " and resid 103  and name HB1 ))
   (( segid "    " and resid 103  and name HB2 ))
      6.000     4.500     0.000 peak  3066 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.009 ppm2      2.681 CV     1
 ASSI { 3067}
   (( segid "    " and resid 103  and name HB1 ))
   (( segid "    " and resid 138  and name HB1 ))
      6.000     4.500     0.000 peak  3067 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.009 ppm2      2.422 CV     1
 ASSI { 3068}
   (( segid "    " and resid 103  and name HB1 ))
   (( segid "    " and resid 138  and name HG1 ))
      6.000     4.500     0.000 peak  3068 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.011 ppm2      2.002 CV     1
 OR { 3068}
   (( segid "    " and resid 103  and name HB1 ))
   (( segid "    " and resid 138  and name HG2 ))
 ASSI { 3078}
   (( segid "    " and resid 49   and name HB2 ))
   (( segid "    " and resid 48   and name HB2 ))
      6.000     4.500     0.000 peak  3078 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.677 ppm2      2.324 CV     1
 ASSI { 3080}
   (( segid "    " and resid 131  and name HB  ))
   (( segid "    " and resid 131  and name HG11))
      6.000     4.500     0.000 peak  3080 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.155 ppm2      1.657 CV     1
 OR { 3080}
   (( segid "    " and resid 131  and name HB  ))
   (( segid "    " and resid 131  and name HG12))
 ASSI { 3082}
   (( segid "    " and resid 131  and name HB  ))
   (  segid "    " and resid 59   and name HB% )
      6.000     4.500     0.000 peak  3082 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.152 ppm2      1.271 CV     1
 ASSI { 3083}
   (( segid "    " and resid 131  and name HB  ))
   (  segid "    " and resid 132  and name HB% )
      6.000     4.500     0.000 peak  3083 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.149 ppm2      1.002 CV     1
 ASSI { 3084}
   (( segid "    " and resid 131  and name HB  ))
   (  segid "    " and resid 131  and name HG2%)
      6.000     4.500     0.000 peak  3084 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.152 ppm2      0.854 CV     1
 ASSI { 3087}
   (( segid "    " and resid 137  and name HB1 ))
   (( segid "    " and resid 137  and name HB2 ))
      6.000     4.500     0.000 peak  3087 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.384 ppm2      3.248 CV     1
 ASSI { 3091}
   (( segid "    " and resid 33   and name HB  ))
   (( segid "    " and resid 33   and name HA  ))
      6.000     4.500     0.000 peak  3091 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.787 ppm2      3.900 CV     1
 ASSI { 3093}
   (( segid "    " and resid 33   and name HB  ))
   (  segid "    " and resid 33   and name HD1%)
      6.000     4.500     0.000 peak  3093 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.787 ppm2      0.918 CV     1
 ASSI { 3098}
   (( segid "    " and resid 116  and name HB1 ))
   (( segid "    " and resid 116  and name HB2 ))
      6.000     4.500     0.000 peak  3098 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.078 ppm2      2.971 CV     1
 ASSI { 3101}
   (( segid "    " and resid 116  and name HB2 ))
   (( segid "    " and resid 116  and name HA  ))
      6.000     4.500     0.000 peak  3101 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.976 ppm2      4.188 CV     1
 ASSI { 3103}
   (( segid "    " and resid 67   and name HG1 ))
   (( segid "    " and resid 67   and name HG2 ))
      6.000     4.500     0.000 peak  3103 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.154 ppm2      1.982 CV     1
 ASSI { 3104}
   (( segid "    " and resid 67   and name HG1 ))
   (( segid "    " and resid 67   and name HB2 ))
      6.000     4.500     0.000 peak  3104 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.155 ppm2      1.863 CV     1
 OR { 3104}
   (( segid "    " and resid 67   and name HG1 ))
   (( segid "    " and resid 67   and name HB1 ))
 ASSI { 3108}
   (( segid "    " and resid 67   and name HG2 ))
   (( segid "    " and resid 66   and name HG1 ))
      6.000     4.500     0.000 peak  3108 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.981 ppm2      1.723 CV     1
 ASSI { 3110}
   (( segid "    " and resid 67   and name HG2 ))
   (( segid "    " and resid 111  and name HG  ))
      6.000     4.500     0.000 peak  3110 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.971 ppm2      1.052 CV     1
 ASSI { 3114}
   (( segid "    " and resid 146  and name HB  ))
   (( segid "    " and resid 150  and name HG2 ))
      6.000     4.500     0.000 peak  3114 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.789 ppm2      1.426 CV     1
 ASSI { 3115}
   (( segid "    " and resid 146  and name HB  ))
   (( segid "    " and resid 125  and name HG  ))
      6.000     4.500     0.000 peak  3115 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.793 ppm2      0.331 CV     1
 ASSI { 3116}
   (( segid "    " and resid 28   and name HB  ))
   (( segid "    " and resid 28   and name HA  ))
      6.000     4.500     0.000 peak  3116 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.578 ppm2      3.778 CV     1
 ASSI { 3117}
   (( segid "    " and resid 28   and name HB  ))
   (( segid "    " and resid 31   and name HB2 ))
      6.000     4.500     0.000 peak  3117 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.581 ppm2      3.615 CV     1
 OR { 3117}
   (( segid "    " and resid 28   and name HB  ))
   (( segid "    " and resid 31   and name HB1 ))
 ASSI { 3118}
   (( segid "    " and resid 28   and name HB  ))
   (( segid "    " and resid 28   and name HG11))
      6.000     4.500     0.000 peak  3118 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.583 ppm2      2.087 CV     1
 OR { 3118}
   (( segid "    " and resid 28   and name HB  ))
   (( segid "    " and resid 28   and name HG12))
 ASSI { 3119}
   (( segid "    " and resid 28   and name HB  ))
   (  segid "    " and resid 28   and name HD1%)
      6.000     4.500     0.000 peak  3119 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.582 ppm2      0.795 CV     1
 ASSI { 3120}
   (( segid "    " and resid 39   and name HB2 ))
   (( segid "    " and resid 158  and name HB2 ))
      6.000     4.500     0.000 peak  3120 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.373 ppm2      3.071 CV     1
 ASSI { 3121}
   (( segid "    " and resid 39   and name HB2 ))
   (  segid "    " and resid 54   and name HD1%)
      6.000     4.500     0.000 peak  3121 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.364 ppm2     -0.634 CV     1
 OR { 3121}
   (( segid "    " and resid 39   and name HB2 ))
   (  segid "    " and resid 54   and name HD2%)
 ASSI { 3126}
   (( segid "    " and resid 19   and name HB2 ))
   (( segid "    " and resid 19   and name HB1 ))
      6.000     4.500     0.000 peak  3126 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.859 ppm2      2.695 CV     1
 ASSI { 3128}
   (( segid "    " and resid 39   and name HB1 ))
   (( segid "    " and resid 158  and name HB2 ))
      6.000     4.500     0.000 peak  3128 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.770 ppm2      3.071 CV     1
 ASSI { 3129}
   (( segid "    " and resid 39   and name HB1 ))
   (( segid "    " and resid 54   and name HB1 ))
      6.000     4.500     0.000 peak  3129 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.767 ppm2      0.948 CV     1
 ASSI { 3133}
   (( segid "    " and resid 67   and name HG1 ))
   (( segid "    " and resid 68   and name HB2 ))
      6.000     4.500     0.000 peak  3133 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.143 ppm2      2.313 CV     1
 OR { 3133}
   (( segid "    " and resid 67   and name HG1 ))
   (( segid "    " and resid 68   and name HB1 ))
 ASSI { 3136}
   (( segid "    " and resid 67   and name HG2 ))
   (( segid "    " and resid 111  and name HB2 ))
      6.000     4.500     0.000 peak  3136 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.986 ppm2      1.371 CV     1
 ASSI { 3137}
   (( segid "    " and resid 67   and name HG2 ))
   (( segid "    " and resid 111  and name HB1 ))
      6.000     4.500     0.000 peak  3137 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.984 ppm2      0.903 CV     1
 ASSI { 3142}
   (( segid "    " and resid 28   and name HB  ))
   (  segid "    " and resid 28   and name HG2%)
      6.000     4.500     0.000 peak  3142 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.580 ppm2      0.612 CV     1
 ASSI { 3143}
   (( segid "    " and resid 39   and name HB2 ))
   (( segid "    " and resid 54   and name HG  ))
      6.000     4.500     0.000 peak  3143 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.367 ppm2      0.234 CV     1
 ASSI { 3144}
   (( segid "    " and resid 123  and name HB1 ))
   (( segid "    " and resid 123  and name HB2 ))
      6.000     4.500     0.000 peak  3144 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.354 ppm2      2.792 CV     1
 ASSI { 3154}
   (( segid "    " and resid 39   and name HB1 ))
   (( segid "    " and resid 54   and name HG  ))
      6.000     4.500     0.000 peak  3154 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.771 ppm2      0.234 CV     1
 ASSI { 3155}
   (( segid "    " and resid 39   and name HB1 ))
   (  segid "    " and resid 54   and name HD1%)
      6.000     4.500     0.000 peak  3155 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.770 ppm2     -0.630 CV     1
 OR { 3155}
   (( segid "    " and resid 39   and name HB1 ))
   (  segid "    " and resid 54   and name HD2%)
 ASSI { 3156}
   (( segid "    " and resid 19   and name HB1 ))
   (  segid "    " and resid 20   and name HB% )
      6.000     4.500     0.000 peak  3156 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.701 ppm2      1.459 CV     1
 ASSI { 3158}
   (( segid "    " and resid 98   and name HB  ))
   (( segid "    " and resid 98   and name HG11))
      6.000     4.500     0.000 peak  3158 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.120 ppm2      0.978 CV     1
 ASSI { 3159}
   (( segid "    " and resid 98   and name HB  ))
   (  segid "    " and resid 98   and name HG2%)
      6.000     4.500     0.000 peak  3159 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.115 ppm2      0.831 CV     1
 ASSI { 3166}
   (( segid "    " and resid 76   and name HB  ))
   (( segid "    " and resid 73   and name HB  ))
      6.000     4.500     0.000 peak  3166 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.853 ppm2      3.958 CV     1
 ASSI { 3168}
   (( segid "    " and resid 141  and name HG1 ))
   (( segid "    " and resid 141  and name HA  ))
      6.000     4.500     0.000 peak  3168 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.290 ppm2      4.292 CV     1
 ASSI { 3169}
   (( segid "    " and resid 141  and name HG1 ))
   (( segid "    " and resid 146  and name HG12))
      6.000     4.500     0.000 peak  3169 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.292 ppm2      1.003 CV     1
 ASSI { 3170}
   (( segid "    " and resid 141  and name HG1 ))
   (  segid "    " and resid 146  and name HD1%)
      6.000     4.500     0.000 peak  3170 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.290 ppm2      0.477 CV     1
 ASSI { 3171}
   (( segid "    " and resid 141  and name HG1 ))
   (( segid "    " and resid 141  and name HG2 ))
      6.000     4.500     0.000 peak  3171 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.289 ppm2      2.047 CV     1
 ASSI { 3172}
   (( segid "    " and resid 141  and name HG1 ))
   (( segid "    " and resid 141  and name HB1 ))
      6.000     4.500     0.000 peak  3172 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.287 ppm2      1.879 CV     1
 ASSI { 3173}
   (( segid "    " and resid 141  and name HG1 ))
   (( segid "    " and resid 146  and name HG11))
      6.000     4.500     0.000 peak  3173 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.287 ppm2      1.605 CV     1
 ASSI { 3177}
   (( segid "    " and resid 141  and name HG2 ))
   (( segid "    " and resid 141  and name HB1 ))
      6.000     4.500     0.000 peak  3177 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.060 ppm2      1.866 CV     1
 ASSI { 3178}
   (( segid "    " and resid 141  and name HG2 ))
   (( segid "    " and resid 146  and name HG11))
      6.000     4.500     0.000 peak  3178 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.063 ppm2      1.596 CV     1
 ASSI { 3179}
   (( segid "    " and resid 141  and name HG2 ))
   (  segid "    " and resid 146  and name HD1%)
      6.000     4.500     0.000 peak  3179 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.063 ppm2      0.482 CV     1
 ASSI { 3184}
   (( segid "    " and resid 71   and name HB2 ))
   (( segid "    " and resid 71   and name HB1 ))
      6.000     4.500     0.000 peak  3184 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.102 ppm2      2.620 CV     1
 ASSI { 3186}
   (( segid "    " and resid 16   and name HG1 ))
   (( segid "    " and resid 16   and name HA  ))
      6.000     4.500     0.000 peak  3186 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.389 ppm2      4.104 CV     1
 ASSI { 3187}
   (( segid "    " and resid 16   and name HG1 ))
   (( segid "    " and resid 16   and name HG2 ))
      6.000     4.500     0.000 peak  3187 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.385 ppm2      2.352 CV     1
 ASSI { 3188}
   (( segid "    " and resid 16   and name HG1 ))
   (( segid "    " and resid 16   and name HB1 ))
      6.000     4.500     0.000 peak  3188 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.387 ppm2      2.172 CV     1
 ASSI { 3189}
   (( segid "    " and resid 16   and name HG2 ))
   (( segid "    " and resid 13   and name HB2 ))
      6.000     4.500     0.000 peak  3189 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.344 ppm2      4.414 CV     1
 ASSI { 3192}
   (( segid "    " and resid 16   and name HG2 ))
   (( segid "    " and resid 16   and name HB1 ))
      6.000     4.500     0.000 peak  3192 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.341 ppm2      2.156 CV     1
 ASSI { 3193}
   (( segid "    " and resid 104  and name HG1 ))
   (( segid "    " and resid 104  and name HA  ))
      6.000     4.500     0.000 peak  3193 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.606 ppm2      4.288 CV     1
 ASSI { 3194}
   (( segid "    " and resid 104  and name HG1 ))
   (( segid "    " and resid 104  and name HB2 ))
      6.000     4.500     0.000 peak  3194 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.605 ppm2      2.387 CV     1
 ASSI { 3196}
   (( segid "    " and resid 104  and name HG1 ))
   (( segid "    " and resid 113  and name HB  ))
      6.000     4.500     0.000 peak  3196 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.607 ppm2      1.928 CV     1
 ASSI { 3197}
   (( segid "    " and resid 104  and name HG1 ))
   (( segid "    " and resid 104  and name HB1 ))
      6.000     4.500     0.000 peak  3197 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.602 ppm2      2.181 CV     1
 ASSI { 3198}
   (( segid "    " and resid 104  and name HG1 ))
   (( segid "    " and resid 66   and name HG1 ))
      6.000     4.500     0.000 peak  3198 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.593 ppm2      1.756 CV     1
 ASSI { 3201}
   (( segid "    " and resid 104  and name HG1 ))
   (  segid "    " and resid 106  and name HD1%)
      6.000     4.500     0.000 peak  3201 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.601 ppm2      0.626 CV     1
 ASSI { 3203}
   (( segid "    " and resid 104  and name HG2 ))
   (( segid "    " and resid 104  and name HB2 ))
      6.000     4.500     0.000 peak  3203 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.528 ppm2      2.369 CV     1
 ASSI { 3204}
   (( segid "    " and resid 104  and name HG2 ))
   (( segid "    " and resid 113  and name HB  ))
      6.000     4.500     0.000 peak  3204 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.530 ppm2      1.906 CV     1
 ASSI { 3205}
   (( segid "    " and resid 104  and name HG2 ))
   (  segid "    " and resid 105  and name HG2%)
      6.000     4.500     0.000 peak  3205 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.528 ppm2      1.052 CV     1
 OR { 3205}
   (( segid "    " and resid 104  and name HG2 ))
   (  segid "    " and resid 105  and name HG1%)
 ASSI { 3206}
   (( segid "    " and resid 104  and name HG2 ))
   (  segid "    " and resid 106  and name HD1%)
      6.000     4.500     0.000 peak  3206 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.528 ppm2      0.625 CV     1
 ASSI { 3207}
   (( segid "    " and resid 30   and name HG2 ))
   (( segid "    " and resid 30   and name HA  ))
      6.000     4.500     0.000 peak  3207 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.184 ppm2      3.924 CV     1
 ASSI { 3208}
   (( segid "    " and resid 58   and name HB  ))
   (  segid "    " and resid 36   and name HG2%)
      6.000     4.500     0.000 peak  3208 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.984 ppm2      1.354 CV     1
 ASSI { 3209}
   (( segid "    " and resid 58   and name HB  ))
   (  segid "    " and resid 58   and name HG2%)
      6.000     4.500     0.000 peak  3209 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.985 ppm2      1.003 CV     1
 OR { 3209}
   (( segid "    " and resid 58   and name HB  ))
   (  segid "    " and resid 58   and name HG1%)
 ASSI { 3212}
   (( segid "    " and resid 77   and name HG1 ))
   (( segid "    " and resid 77   and name HA  ))
      6.000     4.500     0.000 peak  3212 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.864 ppm2      3.754 CV     1
 ASSI { 3213}
   (( segid "    " and resid 77   and name HG1 ))
   (( segid "    " and resid 77   and name HB1 ))
      6.000     4.500     0.000 peak  3213 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.871 ppm2      2.586 CV     1
 ASSI { 3214}
   (( segid "    " and resid 77   and name HG1 ))
   (( segid "    " and resid 77   and name HG2 ))
      6.000     4.500     0.000 peak  3214 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.866 ppm2      1.957 CV     1
 ASSI { 3215}
   (( segid "    " and resid 77   and name HG1 ))
   (( segid "    " and resid 77   and name HB2 ))
      6.000     4.500     0.000 peak  3215 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.873 ppm2      1.817 CV     1
 ASSI { 3217}
   (( segid "    " and resid 77   and name HG1 ))
   (  segid "    " and resid 76   and name HG2%)
      6.000     4.500     0.000 peak  3217 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.864 ppm2      0.829 CV     1
 ASSI { 3218}
   (( segid "    " and resid 77   and name HG1 ))
   (  segid "    " and resid 96   and name HD2%)
      6.000     4.500     0.000 peak  3218 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.858 ppm2      1.146 CV     1
 ASSI { 3220}
   (( segid "    " and resid 80   and name HG1 ))
   (  segid "    " and resid 21   and name HB% )
      6.000     4.500     0.000 peak  3220 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.516 ppm2      1.579 CV     1
 ASSI { 3221}
   (( segid "    " and resid 80   and name HG1 ))
   (( segid "    " and resid 80   and name HB1 ))
      6.000     4.500     0.000 peak  3221 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.502 ppm2      2.865 CV     1
 ASSI { 3222}
   (( segid "    " and resid 80   and name HG1 ))
   (( segid "    " and resid 80   and name HG2 ))
      6.000     4.500     0.000 peak  3222 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.507 ppm2      2.242 CV     1
 ASSI { 3223}
   (( segid "    " and resid 80   and name HG1 ))
   (( segid "    " and resid 80   and name HB2 ))
      6.000     4.500     0.000 peak  3223 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.508 ppm2      1.793 CV     1
 ASSI { 3224}
   (( segid "    " and resid 80   and name HG1 ))
   (  segid "    " and resid 20   and name HB% )
      6.000     4.500     0.000 peak  3224 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.506 ppm2      1.455 CV     1
 ASSI { 3225}
   (( segid "    " and resid 80   and name HG1 ))
   (  segid "    " and resid 76   and name HG2%)
      6.000     4.500     0.000 peak  3225 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.501 ppm2      0.829 CV     1
 ASSI { 3227}
   (( segid "    " and resid 68   and name HG2 ))
   (( segid "    " and resid 69   and name HB1 ))
      6.000     4.500     0.000 peak  3227 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.415 ppm2      2.248 CV     1
 OR { 3227}
   (( segid "    " and resid 68   and name HG1 ))
   (( segid "    " and resid 69   and name HB1 ))
 ASSI { 3230}
   (( segid "    " and resid 68   and name HG2 ))
   (( segid "    " and resid 64   and name HG  ))
      6.000     4.500     0.000 peak  3230 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.416 ppm2      0.746 CV     1
 OR { 3230}
   (( segid "    " and resid 68   and name HG1 ))
   (( segid "    " and resid 64   and name HG  ))
 ASSI { 3231}
   (( segid "    " and resid 87   and name HG2 ))
   (( segid "    " and resid 87   and name HB1 ))
      6.000     4.500     0.000 peak  3231 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.339 ppm2      2.037 CV     1
 OR { 3231}
   (( segid "    " and resid 87   and name HG1 ))
   (( segid "    " and resid 87   and name HB2 ))
 OR { 3231}
   (( segid "    " and resid 87   and name HG2 ))
   (( segid "    " and resid 87   and name HB2 ))
 OR { 3231}
   (( segid "    " and resid 87   and name HG1 ))
   (( segid "    " and resid 87   and name HB1 ))
 ASSI { 3232}
   (( segid "    " and resid 109  and name HG2 ))
   (( segid "    " and resid 109  and name HB1 ))
      6.000     4.500     0.000 peak  3232 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.281 ppm2      2.042 CV     1
 OR { 3232}
   (( segid "    " and resid 109  and name HG2 ))
   (( segid "    " and resid 109  and name HB2 ))
 ASSI { 3235}
   (( segid "    " and resid 80   and name HG2 ))
   (( segid "    " and resid 80   and name HB1 ))
      6.000     4.500     0.000 peak  3235 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.256 ppm2      2.878 CV     1
 ASSI { 3237}
   (( segid "    " and resid 30   and name HG2 ))
   (( segid "    " and resid 30   and name HB1 ))
      6.000     4.500     0.000 peak  3237 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.186 ppm2      2.414 CV     1
 ASSI { 3238}
   (( segid "    " and resid 30   and name HG2 ))
   (( segid "    " and resid 64   and name HB1 ))
      6.000     4.500     0.000 peak  3238 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.188 ppm2      1.496 CV     1
 ASSI { 3239}
   (( segid "    " and resid 30   and name HG2 ))
   (( segid "    " and resid 63   and name HB2 ))
      6.000     4.500     0.000 peak  3239 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.177 ppm2      4.071 CV     1
 OR { 3239}
   (( segid "    " and resid 30   and name HG2 ))
   (( segid "    " and resid 63   and name HB1 ))
 ASSI { 3240}
   (( segid "    " and resid 30   and name HG2 ))
   (( segid "    " and resid 64   and name HG  ))
      6.000     4.500     0.000 peak  3240 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.182 ppm2      0.755 CV     1
 ASSI { 3241}
   (( segid "    " and resid 30   and name HG1 ))
   (( segid "    " and resid 63   and name HB2 ))
      6.000     4.500     0.000 peak  3241 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.110 ppm2      4.066 CV     1
 OR { 3241}
   (( segid "    " and resid 30   and name HG1 ))
   (( segid "    " and resid 63   and name HB1 ))
 ASSI { 3243}
   (( segid "    " and resid 30   and name HG1 ))
   (( segid "    " and resid 30   and name HB1 ))
      6.000     4.500     0.000 peak  3243 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.112 ppm2      2.415 CV     1
 ASSI { 3244}
   (( segid "    " and resid 30   and name HG1 ))
   (( segid "    " and resid 64   and name HB1 ))
      6.000     4.500     0.000 peak  3244 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.117 ppm2      1.514 CV     1
 ASSI { 3245}
   (( segid "    " and resid 30   and name HG1 ))
   (( segid "    " and resid 64   and name HG  ))
      6.000     4.500     0.000 peak  3245 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.114 ppm2      0.761 CV     1
 ASSI { 3246}
   (( segid "    " and resid 77   and name HG2 ))
   (  segid "    " and resid 96   and name HD2%)
      6.000     4.500     0.000 peak  3246 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.980 ppm2      1.125 CV     1
 OR { 3246}
   (( segid "    " and resid 77   and name HG2 ))
   (  segid "    " and resid 96   and name HD1%)
 ASSI { 3254}
   (( segid "    " and resid 68   and name HG1 ))
   (( segid "    " and resid 67   and name HB2 ))
      6.000     4.500     0.000 peak  3254 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.415 ppm2      1.841 CV     1
 OR { 3254}
   (( segid "    " and resid 68   and name HG2 ))
   (( segid "    " and resid 67   and name HB2 ))
 OR { 3254}
   (( segid "    " and resid 68   and name HG1 ))
   (( segid "    " and resid 67   and name HB1 ))
 OR { 3254}
   (( segid "    " and resid 68   and name HG2 ))
   (( segid "    " and resid 67   and name HB1 ))
 ASSI { 3255}
   (( segid "    " and resid 68   and name HG2 ))
   (( segid "    " and resid 64   and name HB2 ))
      6.000     4.500     0.000 peak  3255 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.415 ppm2      1.746 CV     1
 OR { 3255}
   (( segid "    " and resid 68   and name HG1 ))
   (( segid "    " and resid 64   and name HB2 ))
 ASSI { 3256}
   (( segid "    " and resid 68   and name HG2 ))
   (( segid "    " and resid 69   and name HB2 ))
      6.000     4.500     0.000 peak  3256 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.413 ppm2      1.323 CV     1
 OR { 3256}
   (( segid "    " and resid 68   and name HG1 ))
   (( segid "    " and resid 69   and name HB2 ))
 ASSI { 3260}
   (( segid "    " and resid 87   and name HG1 ))
   (( segid "    " and resid 88   and name HG2 ))
      6.000     4.500     0.000 peak  3260 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.335 ppm2      1.118 CV     1
 OR { 3260}
   (( segid "    " and resid 87   and name HG2 ))
   (( segid "    " and resid 88   and name HG2 ))
 OR { 3260}
   (( segid "    " and resid 87   and name HG1 ))
   (( segid "    " and resid 88   and name HG1 ))
 OR { 3260}
   (( segid "    " and resid 87   and name HG2 ))
   (( segid "    " and resid 88   and name HG1 ))
 ASSI { 3263}
   (( segid "    " and resid 80   and name HG2 ))
   (  segid "    " and resid 20   and name HB% )
      6.000     4.500     0.000 peak  3263 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.284 ppm2      1.478 CV     1
 ASSI { 3264}
   (( segid "    " and resid 61   and name HG2 ))
   (( segid "    " and resid 61   and name HG1 ))
      6.000     4.500     0.000 peak  3264 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.225 ppm2      1.938 CV     1
 ASSI { 3265}
   (( segid "    " and resid 61   and name HG2 ))
   (( segid "    " and resid 61   and name HB2 ))
      6.000     4.500     0.000 peak  3265 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.225 ppm2      1.771 CV     1
 ASSI { 3266}
   (( segid "    " and resid 61   and name HG2 ))
   (( segid "    " and resid 34   and name HB2 ))
      6.000     4.500     0.000 peak  3266 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.233 ppm2      1.542 CV     1
 ASSI { 3268}
   (( segid "    " and resid 61   and name HG2 ))
   (  segid "    " and resid 34   and name HD2%)
      6.000     4.500     0.000 peak  3268 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.228 ppm2      0.824 CV     1
 OR { 3268}
   (( segid "    " and resid 61   and name HG2 ))
   (  segid "    " and resid 34   and name HD1%)
 ASSI { 3269}
   (( segid "    " and resid 61   and name HG2 ))
   (( segid "    " and resid 61   and name HB1 ))
      6.000     4.500     0.000 peak  3269 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.222 ppm2      1.315 CV     1
 ASSI { 3270}
   (( segid "    " and resid 134  and name HG2 ))
   (( segid "    " and resid 135  and name HB2 ))
      6.000     4.500     0.000 peak  3270 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.147 ppm2      1.328 CV     1
 ASSI { 3271}
   (( segid "    " and resid 134  and name HG2 ))
   (  segid "    " and resid 132  and name HB% )
      6.000     4.500     0.000 peak  3271 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.140 ppm2      1.048 CV     1
 ASSI { 3277}
   (( segid "    " and resid 61   and name HG1 ))
   (( segid "    " and resid 61   and name HB2 ))
      6.000     4.500     0.000 peak  3277 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.937 ppm2      1.768 CV     1
 ASSI { 3283}
   (( segid "    " and resid 74   and name HG2 ))
   (( segid "    " and resid 74   and name HG1 ))
      6.000     4.500     0.000 peak  3283 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.957 ppm2      2.431 CV     1
 ASSI { 3284}
   (( segid "    " and resid 134  and name HG1 ))
   (  segid "    " and resid 132  and name HB% )
      6.000     4.500     0.000 peak  3284 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.324 ppm2      1.021 CV     1
 ASSI { 3285}
   (( segid "    " and resid 134  and name HG1 ))
   (( segid "    " and resid 134  and name HG2 ))
      6.000     4.500     0.000 peak  3285 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.312 ppm2      2.126 CV     1
 ASSI { 3286}
   (( segid "    " and resid 134  and name HG1 ))
   (( segid "    " and resid 134  and name HB2 ))
      6.000     4.500     0.000 peak  3286 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.313 ppm2      1.762 CV     1
 ASSI { 3287}
   (( segid "    " and resid 134  and name HG2 ))
   (( segid "    " and resid 134  and name HG1 ))
      6.000     4.500     0.000 peak  3287 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.122 ppm2      2.311 CV     1
 OR { 3287}
   (( segid "    " and resid 134  and name HG2 ))
   (( segid "    " and resid 134  and name HB1 ))
 ASSI { 3288}
   (( segid "    " and resid 134  and name HG2 ))
   (( segid "    " and resid 134  and name HB2 ))
      6.000     4.500     0.000 peak  3288 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.121 ppm2      1.764 CV     1
 ASSI { 3290}
   (( segid "    " and resid 74   and name HG2 ))
   (( segid "    " and resid 74   and name HA  ))
      6.000     4.500     0.000 peak  3290 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.960 ppm2      4.234 CV     1
 ASSI { 3291}
   (( segid "    " and resid 74   and name HG2 ))
   (( segid "    " and resid 74   and name HB2 ))
      6.000     4.500     0.000 peak  3291 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.961 ppm2      2.256 CV     1
 ASSI { 3292}
   (( segid "    " and resid 74   and name HG2 ))
   (( segid "    " and resid 74   and name HB1 ))
      6.000     4.500     0.000 peak  3292 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.959 ppm2      1.918 CV     1
 ASSI { 3293}
   (( segid "    " and resid 74   and name HG2 ))
   (  segid "    " and resid 70   and name HD2%)
      6.000     4.500     0.000 peak  3293 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.963 ppm2      0.722 CV     1
 ASSI { 3299}
   (( segid "    " and resid 36   and name HB  ))
   (  segid "    " and resid 36   and name HG2%)
      6.000     4.500     0.000 peak  3299 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.968 ppm2      1.357 CV     1
 ASSI { 3300}
   (( segid "    " and resid 36   and name HB  ))
   (  segid "    " and resid 36   and name HG1%)
      6.000     4.500     0.000 peak  3300 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.968 ppm2      1.118 CV     1
 ASSI { 3303}
   (( segid "    " and resid 114  and name HB2 ))
   (( segid "    " and resid 114  and name HD2 ))
      6.000     4.500     0.000 peak  3303 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.881 ppm2      3.668 CV     1
 ASSI { 3308}
   (( segid "    " and resid 114  and name HB2 ))
   (( segid "    " and resid 114  and name HG2 ))
      6.000     4.500     0.000 peak  3308 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.877 ppm2      2.471 CV     1
 ASSI { 3309}
   (( segid "    " and resid 114  and name HB2 ))
   (( segid "    " and resid 114  and name HB1 ))
      6.000     4.500     0.000 peak  3309 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.880 ppm2      2.108 CV     1
 ASSI { 3311}
   (( segid "    " and resid 48   and name HG1 ))
   (( segid "    " and resid 48   and name HB1 ))
      6.000     4.500     0.000 peak  3311 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.556 ppm2      2.040 CV     1
 ASSI { 3321}
   (( segid "    " and resid 99   and name HB1 ))
   (( segid "    " and resid 99   and name HB2 ))
      6.000     4.500     0.000 peak  3321 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.140 ppm2      2.251 CV     1
 ASSI { 3324}
   (( segid "    " and resid 99   and name HB1 ))
   (( segid "    " and resid 4    and name HB1 ))
      6.000     4.500     0.000 peak  3324 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.127 ppm2      2.729 CV     1
 ASSI { 3325}
   (( segid "    " and resid 114  and name HB1 ))
   (( segid "    " and resid 114  and name HD1 ))
      6.000     4.500     0.000 peak  3325 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.120 ppm2      4.183 CV     1
 ASSI { 3326}
   (( segid "    " and resid 114  and name HB1 ))
   (( segid "    " and resid 114  and name HD2 ))
      6.000     4.500     0.000 peak  3326 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.115 ppm2      3.687 CV     1
 ASSI { 3328}
   (( segid "    " and resid 114  and name HB1 ))
   (( segid "    " and resid 114  and name HG2 ))
      6.000     4.500     0.000 peak  3328 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.114 ppm2      2.478 CV     1
 ASSI { 3338}
   (( segid "    " and resid 79   and name HG1 ))
   (( segid "    " and resid 78   and name HB2 ))
      6.000     4.500     0.000 peak  3338 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.681 ppm2      1.797 CV     1
 ASSI { 3342}
   (( segid "    " and resid 79   and name HG1 ))
   (( segid "    " and resid 75   and name HB2 ))
      6.000     4.500     0.000 peak  3342 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.679 ppm2      2.322 CV     1
 ASSI { 3344}
   (( segid "    " and resid 79   and name HG2 ))
   (( segid "    " and resid 75   and name HG1 ))
      6.000     4.500     0.000 peak  3344 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.592 ppm2      1.701 CV     1
 ASSI { 3347}
   (( segid "    " and resid 79   and name HG2 ))
   (( segid "    " and resid 76   and name HA  ))
      6.000     4.500     0.000 peak  3347 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.583 ppm2      3.599 CV     1
 ASSI { 3349}
   (( segid "    " and resid 79   and name HG2 ))
   (  segid "    " and resid 76   and name HG2%)
      6.000     4.500     0.000 peak  3349 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.587 ppm2      0.836 CV     1
 ASSI { 3350}
   (( segid "    " and resid 48   and name HG1 ))
   (( segid "    " and resid 48   and name HB2 ))
      6.000     4.500     0.000 peak  3350 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.573 ppm2      2.310 CV     1
 ASSI { 3353}
   (( segid "    " and resid 48   and name HG1 ))
   (( segid "    " and resid 48   and name HA  ))
      6.000     4.500     0.000 peak  3353 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.553 ppm2      4.322 CV     1
 ASSI { 3354}
   (( segid "    " and resid 48   and name HG2 ))
   (( segid "    " and resid 48   and name HB1 ))
      6.000     4.500     0.000 peak  3354 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.478 ppm2      2.046 CV     1
 ASSI { 3357}
   (( segid "    " and resid 142  and name HB2 ))
   (( segid "    " and resid 142  and name HG2 ))
      6.000     4.500     0.000 peak  3357 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.275 ppm2      2.654 CV     1
 ASSI { 3361}
   (( segid "    " and resid 142  and name HB1 ))
   (( segid "    " and resid 142  and name HB2 ))
      6.000     4.500     0.000 peak  3361 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.103 ppm2      2.261 CV     1
 ASSI { 3362}
   (( segid "    " and resid 142  and name HB1 ))
   (( segid "    " and resid 135  and name HB1 ))
      6.000     4.500     0.000 peak  3362 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.102 ppm2      1.742 CV     1
 ASSI { 3365}
   (( segid "    " and resid 136  and name HB  ))
   (  segid "    " and resid 136  and name HG1%)
      6.000     4.500     0.000 peak  3365 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.951 ppm2      1.043 CV     1
 OR { 3365}
   (( segid "    " and resid 136  and name HB  ))
   (  segid "    " and resid 136  and name HG2%)
 ASSI { 3368}
   (( segid "    " and resid 79   and name HG1 ))
   (  segid "    " and resid 76   and name HG2%)
      6.000     4.500     0.000 peak  3368 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.674 ppm2      0.848 CV     1
 ASSI { 3371}
   (( segid "    " and resid 145  and name HG2 ))
   (( segid "    " and resid 148  and name HB1 ))
      6.000     4.500     0.000 peak  3371 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.490 ppm2      3.271 CV     1
 OR { 3371}
   (( segid "    " and resid 145  and name HG1 ))
   (( segid "    " and resid 148  and name HB1 ))
 ASSI { 3372}
   (( segid "    " and resid 145  and name HG1 ))
   (( segid "    " and resid 142  and name HG1 ))
      6.000     4.500     0.000 peak  3372 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.486 ppm2      2.849 CV     1
 ASSI { 3374}
   (( segid "    " and resid 145  and name HG1 ))
   (( segid "    " and resid 145  and name HB2 ))
      6.000     4.500     0.000 peak  3374 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.488 ppm2      2.306 CV     1
 OR { 3374}
   (( segid "    " and resid 145  and name HG1 ))
   (( segid "    " and resid 145  and name HB1 ))
 OR { 3374}
   (( segid "    " and resid 145  and name HG2 ))
   (( segid "    " and resid 145  and name HB2 ))
 OR { 3374}
   (( segid "    " and resid 145  and name HG2 ))
   (( segid "    " and resid 145  and name HB1 ))
 ASSI { 3376}
   (( segid "    " and resid 145  and name HG2 ))
   (( segid "    " and resid 146  and name HG11))
      6.000     4.500     0.000 peak  3376 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.490 ppm2      1.595 CV     1
 OR { 3376}
   (( segid "    " and resid 145  and name HG1 ))
   (( segid "    " and resid 146  and name HG11))
 ASSI { 3379}
   (( segid "    " and resid 145  and name HG2 ))
   (( segid "    " and resid 146  and name HG12))
      6.000     4.500     0.000 peak  3379 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.491 ppm2      0.971 CV     1
 OR { 3379}
   (( segid "    " and resid 145  and name HG1 ))
   (( segid "    " and resid 146  and name HG12))
 ASSI { 3386}
   (( segid "    " and resid 142  and name HB2 ))
   (( segid "    " and resid 142  and name HG1 ))
      6.000     4.500     0.000 peak  3386 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.260 ppm2      2.821 CV     1
 ASSI { 3387}
   (( segid "    " and resid 142  and name HB2 ))
   (( segid "    " and resid 145  and name HG1 ))
      6.000     4.500     0.000 peak  3387 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.260 ppm2      2.483 CV     1
 OR { 3387}
   (( segid "    " and resid 142  and name HB2 ))
   (( segid "    " and resid 145  and name HG2 ))
 ASSI { 3389}
   (( segid "    " and resid 118  and name HB2 ))
   (( segid "    " and resid 119  and name HG2 ))
      6.000     4.500     0.000 peak  3389 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.980 ppm2      1.328 CV     1
 OR { 3389}
   (( segid "    " and resid 118  and name HB1 ))
   (( segid "    " and resid 119  and name HG2 ))
 ASSI { 3391}
   (( segid "    " and resid 14   and name HB1 ))
   (  segid "    " and resid 54   and name HD2%)
      6.000     4.500     0.000 peak  3391 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.884 ppm2     -0.632 CV     1
 OR { 3391}
   (( segid "    " and resid 14   and name HB1 ))
   (  segid "    " and resid 54   and name HD1%)
 ASSI { 3392}
   (( segid "    " and resid 14   and name HB1 ))
   (( segid "    " and resid 14   and name HB2 ))
      6.000     4.500     0.000 peak  3392 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.871 ppm2      1.143 CV     1
 ASSI { 3402}
   (( segid "    " and resid 14   and name HB2 ))
   (( segid "    " and resid 14   and name HG1 ))
      6.000     4.500     0.000 peak  3402 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.145 ppm2      1.456 CV     1
 ASSI { 3404}
   (( segid "    " and resid 14   and name HB2 ))
   (( segid "    " and resid 14   and name HG2 ))
      6.000     4.500     0.000 peak  3404 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.135 ppm2      2.172 CV     1
 ASSI { 3407}
   (( segid "    " and resid 14   and name HB2 ))
   (( segid "    " and resid 54   and name HB1 ))
      6.000     4.500     0.000 peak  3407 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.139 ppm2      0.973 CV     1
 ASSI { 3410}
   (( segid "    " and resid 14   and name HB2 ))
   (  segid "    " and resid 54   and name HD1%)
      6.000     4.500     0.000 peak  3410 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.133 ppm2     -0.631 CV     1
 OR { 3410}
   (( segid "    " and resid 14   and name HB2 ))
   (  segid "    " and resid 54   and name HD2%)
 ASSI { 3416}
   (( segid "    " and resid 118  and name HB2 ))
   (  segid "    " and resid 125  and name HD2%)
      6.000     4.500     0.000 peak  3416 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.985 ppm2      0.475 CV     1
 OR { 3416}
   (( segid "    " and resid 118  and name HB1 ))
   (  segid "    " and resid 125  and name HD2%)
 OR { 3416}
   (( segid "    " and resid 118  and name HB2 ))
   (  segid "    " and resid 125  and name HD1%)
 ASSI { 3426}
   (( segid "    " and resid 14   and name HB1 ))
   (( segid "    " and resid 14   and name HG1 ))
      6.000     4.500     0.000 peak  3426 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.892 ppm2      1.476 CV     1
 ASSI { 3427}
   (( segid "    " and resid 14   and name HB1 ))
   (( segid "    " and resid 54   and name HB2 ))
      6.000     4.500     0.000 peak  3427 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.888 ppm2      0.383 CV     1
 ASSI { 3429}
   (( segid "    " and resid 99   and name HG2 ))
   (( segid "    " and resid 118  and name HB1 ))
      6.000     4.500     0.000 peak  3429 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.218 ppm2      1.997 CV     1
 OR { 3429}
   (( segid "    " and resid 99   and name HG2 ))
   (( segid "    " and resid 118  and name HB2 ))
 ASSI { 3431}
   (( segid "    " and resid 99   and name HG2 ))
   (( segid "    " and resid 99   and name HG1 ))
      6.000     4.500     0.000 peak  3431 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.198 ppm2      2.699 CV     1
 ASSI { 3433}
   (( segid "    " and resid 83   and name HB  ))
   (( segid "    " and resid 85   and name HG2 ))
      6.000     4.500     0.000 peak  3433 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.120 ppm2      1.448 CV     1
 OR { 3433}
   (( segid "    " and resid 83   and name HB  ))
   (( segid "    " and resid 85   and name HG1 ))
 ASSI { 3434}
   (( segid "    " and resid 83   and name HB  ))
   (  segid "    " and resid 83   and name HG2%)
      6.000     4.500     0.000 peak  3434 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.116 ppm2      0.987 CV     1
 OR { 3434}
   (( segid "    " and resid 83   and name HB  ))
   (  segid "    " and resid 83   and name HG1%)
 ASSI { 3440}
   (( segid "    " and resid 41   and name HB1 ))
   (( segid "    " and resid 41   and name HD1 ))
      6.000     4.500     0.000 peak  3440 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.725 ppm2      3.190 CV     1
 OR { 3440}
   (( segid "    " and resid 41   and name HB2 ))
   (( segid "    " and resid 41   and name HD1 ))
 ASSI { 3446}
   (( segid "    " and resid 51   and name HB2 ))
   (( segid "    " and resid 51   and name HD1 ))
      6.000     4.500     0.000 peak  3446 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.163 ppm2      3.866 CV     1
 ASSI { 3447}
   (( segid "    " and resid 51   and name HB2 ))
   (( segid "    " and resid 51   and name HA  ))
      6.000     4.500     0.000 peak  3447 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.149 ppm2      4.441 CV     1
 ASSI { 3448}
   (( segid "    " and resid 51   and name HB2 ))
   (( segid "    " and resid 51   and name HB1 ))
      6.000     4.500     0.000 peak  3448 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.154 ppm2      2.451 CV     1
 ASSI { 3449}
   (( segid "    " and resid 51   and name HB2 ))
   (( segid "    " and resid 51   and name HG2 ))
      6.000     4.500     0.000 peak  3449 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.152 ppm2      1.873 CV     1
 ASSI { 3451}
   (( segid "    " and resid 83   and name HB  ))
   (( segid "    " and resid 11   and name HG  ))
      6.000     4.500     0.000 peak  3451 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.133 ppm2      0.833 CV     1
 ASSI { 3453}
   (( segid "    " and resid 105  and name HB  ))
   (( segid "    " and resid 104  and name HA  ))
      6.000     4.500     0.000 peak  3453 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.022 ppm2      4.268 CV     1
 ASSI { 3458}
   (( segid "    " and resid 142  and name HG1 ))
   (( segid "    " and resid 142  and name HG2 ))
      6.000     4.500     0.000 peak  3458 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.818 ppm2      2.672 CV     1
 ASSI { 3460}
   (( segid "    " and resid 142  and name HG1 ))
   (( segid "    " and resid 142  and name HB1 ))
      6.000     4.500     0.000 peak  3460 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.817 ppm2      2.101 CV     1
 ASSI { 3466}
   (( segid "    " and resid 51   and name HB1 ))
   (( segid "    " and resid 51   and name HD2 ))
      6.000     4.500     0.000 peak  3466 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.444 ppm2      3.426 CV     1
 ASSI { 3469}
   (( segid "    " and resid 29   and name HB2 ))
   (( segid "    " and resid 30   and name HA  ))
      6.000     4.500     0.000 peak  3469 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.399 ppm2      3.918 CV     1
 ASSI { 3470}
   (( segid "    " and resid 29   and name HB2 ))
   (( segid "    " and resid 29   and name HD2 ))
      6.000     4.500     0.000 peak  3470 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.397 ppm2      3.673 CV     1
 ASSI { 3471}
   (( segid "    " and resid 29   and name HB2 ))
   (( segid "    " and resid 29   and name HD1 ))
      6.000     4.500     0.000 peak  3471 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.396 ppm2      2.758 CV     1
 ASSI { 3473}
   (( segid "    " and resid 29   and name HB2 ))
   (( segid "    " and resid 29   and name HB1 ))
      6.000     4.500     0.000 peak  3473 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.397 ppm2      1.904 CV     1
 ASSI { 3474}
   (( segid "    " and resid 29   and name HB2 ))
   (( segid "    " and resid 64   and name HG  ))
      6.000     4.500     0.000 peak  3474 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.400 ppm2      0.770 CV     1
 ASSI { 3475}
   (( segid "    " and resid 29   and name HB2 ))
   (  segid "    " and resid 28   and name HG2%)
      6.000     4.500     0.000 peak  3475 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.401 ppm2      0.638 CV     1
 ASSI { 3477}
   (( segid "    " and resid 50   and name HG2 ))
   (( segid "    " and resid 48   and name HG1 ))
      6.000     4.500     0.000 peak  3477 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.389 ppm2      2.538 CV     1
 OR { 3477}
   (( segid "    " and resid 50   and name HG1 ))
   (( segid "    " and resid 48   and name HG1 ))
 ASSI { 3478}
   (( segid "    " and resid 50   and name HG1 ))
   (( segid "    " and resid 50   and name HB2 ))
      6.000     4.500     0.000 peak  3478 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.388 ppm2      2.040 CV     1
 OR { 3478}
   (( segid "    " and resid 50   and name HG2 ))
   (( segid "    " and resid 50   and name HB1 ))
 OR { 3478}
   (( segid "    " and resid 50   and name HG1 ))
   (( segid "    " and resid 50   and name HB1 ))
 OR { 3478}
   (( segid "    " and resid 50   and name HG2 ))
   (( segid "    " and resid 50   and name HB2 ))
 ASSI { 3480}
   (( segid "    " and resid 105  and name HB  ))
   (( segid "    " and resid 104  and name HB2 ))
      6.000     4.500     0.000 peak  3480 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.049 ppm2      2.381 CV     1
 ASSI { 3481}
   (( segid "    " and resid 157  and name HB2 ))
   (( segid "    " and resid 157  and name HG1 ))
      6.000     4.500     0.000 peak  3481 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.997 ppm2      1.298 CV     1
 ASSI { 3484}
   (( segid "    " and resid 29   and name HB1 ))
   (( segid "    " and resid 29   and name HD2 ))
      6.000     4.500     0.000 peak  3484 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.902 ppm2      3.672 CV     1
 ASSI { 3485}
   (( segid "    " and resid 29   and name HB1 ))
   (( segid "    " and resid 29   and name HD1 ))
      6.000     4.500     0.000 peak  3485 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.901 ppm2      2.759 CV     1
 ASSI { 3487}
   (( segid "    " and resid 29   and name HB1 ))
   (( segid "    " and resid 64   and name HG  ))
      6.000     4.500     0.000 peak  3487 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.903 ppm2      0.757 CV     1
 ASSI { 3488}
   (( segid "    " and resid 157  and name HB1 ))
   (( segid "    " and resid 157  and name HG1 ))
      6.000     4.500     0.000 peak  3488 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.838 ppm2      1.297 CV     1
 ASSI { 3489}
   (( segid "    " and resid 157  and name HB1 ))
   (( segid "    " and resid 157  and name HG2 ))
      6.000     4.500     0.000 peak  3489 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.833 ppm2      1.647 CV     1
 ASSI { 3490}
   (( segid "    " and resid 110  and name HB2 ))
   (( segid "    " and resid 111  and name HB1 ))
      6.000     4.500     0.000 peak  3490 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.420 ppm2      0.934 CV     1
 ASSI { 3502}
   (( segid "    " and resid 110  and name HB1 ))
   (( segid "    " and resid 110  and name HA  ))
      6.000     4.500     0.000 peak  3502 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.655 ppm2      4.240 CV     1
 ASSI { 3503}
   (( segid "    " and resid 110  and name HB1 ))
   (( segid "    " and resid 74   and name HG2 ))
      6.000     4.500     0.000 peak  3503 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.655 ppm2      2.951 CV     1
 ASSI { 3504}
   (( segid "    " and resid 110  and name HB1 ))
   (( segid "    " and resid 70   and name HG  ))
      6.000     4.500     0.000 peak  3504 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.654 ppm2      1.381 CV     1
 ASSI { 3506}
   (( segid "    " and resid 110  and name HB1 ))
   (( segid "    " and resid 110  and name HD2 ))
      6.000     4.500     0.000 peak  3506 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.642 ppm2      3.251 CV     1
 OR { 3506}
   (( segid "    " and resid 110  and name HB1 ))
   (( segid "    " and resid 110  and name HD1 ))
 ASSI { 3509}
   (( segid "    " and resid 154  and name HB1 ))
   (( segid "    " and resid 154  and name HG2 ))
      6.000     4.500     0.000 peak  3509 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.422 ppm2      1.196 CV     1
 OR { 3509}
   (( segid "    " and resid 154  and name HB2 ))
   (( segid "    " and resid 154  and name HG2 ))
 ASSI { 3511}
   (( segid "    " and resid 154  and name HB2 ))
   (( segid "    " and resid 154  and name HG1 ))
      6.000     4.500     0.000 peak  3511 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.423 ppm2      0.740 CV     1
 OR { 3511}
   (( segid "    " and resid 154  and name HB1 ))
   (( segid "    " and resid 154  and name HG1 ))
 ASSI { 3519}
   (( segid "    " and resid 72   and name HB1 ))
   (( segid "    " and resid 69   and name HA  ))
      6.000     4.500     0.000 peak  3519 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.452 ppm2      4.211 CV     1
 ASSI { 3520}
   (( segid "    " and resid 72   and name HB1 ))
   (( segid "    " and resid 28   and name HG11))
      6.000     4.500     0.000 peak  3520 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.450 ppm2      2.107 CV     1
 OR { 3520}
   (( segid "    " and resid 72   and name HB1 ))
   (( segid "    " and resid 28   and name HG12))
 ASSI { 3521}
   (( segid "    " and resid 72   and name HB1 ))
   (( segid "    " and resid 64   and name HG  ))
      6.000     4.500     0.000 peak  3521 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.450 ppm2      0.787 CV     1
 ASSI { 3522}
   (( segid "    " and resid 72   and name HB1 ))
   (  segid "    " and resid 28   and name HG2%)
      6.000     4.500     0.000 peak  3522 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.452 ppm2      0.629 CV     1
 ASSI { 3523}
   (( segid "    " and resid 72   and name HB1 ))
   (( segid "    " and resid 72   and name HB2 ))
      6.000     4.500     0.000 peak  3523 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.449 ppm2      2.950 CV     1
 ASSI { 3524}
   (( segid "    " and resid 72   and name HB1 ))
   (  segid "    " and resid 73   and name HG2%)
      6.000     4.500     0.000 peak  3524 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.446 ppm2      1.075 CV     1
 ASSI { 3528}
   (( segid "    " and resid 72   and name HB2 ))
   (  segid "    " and resid 28   and name HD1%)
      6.000     4.500     0.000 peak  3528 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.949 ppm2      0.795 CV     1
 ASSI { 3529}
   (( segid "    " and resid 72   and name HB2 ))
   (  segid "    " and resid 28   and name HG2%)
      6.000     4.500     0.000 peak  3529 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.953 ppm2      0.609 CV     1
 ASSI { 3533}
   (( segid "    " and resid 138  and name HB1 ))
   (( segid "    " and resid 138  and name HD1 ))
      6.000     4.500     0.000 peak  3533 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.416 ppm2      4.023 CV     1
 OR { 3533}
   (( segid "    " and resid 138  and name HB1 ))
   (( segid "    " and resid 138  and name HD2 ))
 ASSI { 3534}
   (( segid "    " and resid 138  and name HB1 ))
   (  segid "    " and resid 105  and name HG2%)
      6.000     4.500     0.000 peak  3534 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.418 ppm2      1.033 CV     1
 ASSI { 3536}
   (( segid "    " and resid 91   and name HG1 ))
   (( segid "    " and resid 91   and name HD1 ))
      6.000     4.500     0.000 peak  3536 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.087 ppm2      3.679 CV     1
 OR { 3536}
   (( segid "    " and resid 91   and name HG2 ))
   (( segid "    " and resid 91   and name HD1 ))
 ASSI { 3537}
   (( segid "    " and resid 91   and name HG2 ))
   (( segid "    " and resid 51   and name HD2 ))
      6.000     4.500     0.000 peak  3537 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.092 ppm2      3.461 CV     1
 OR { 3537}
   (( segid "    " and resid 91   and name HG1 ))
   (( segid "    " and resid 51   and name HD2 ))
 ASSI { 3538}
   (( segid "    " and resid 91   and name HG1 ))
   (( segid "    " and resid 91   and name HB1 ))
      6.000     4.500     0.000 peak  3538 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.083 ppm2      1.820 CV     1
 OR { 3538}
   (( segid "    " and resid 91   and name HG2 ))
   (( segid "    " and resid 91   and name HB2 ))
 OR { 3538}
   (( segid "    " and resid 91   and name HG2 ))
   (( segid "    " and resid 91   and name HB1 ))
 OR { 3538}
   (( segid "    " and resid 91   and name HG1 ))
   (( segid "    " and resid 91   and name HB2 ))
 ASSI { 3541}
   (( segid "    " and resid 23   and name HB2 ))
   (( segid "    " and resid 23   and name HA  ))
      6.000     4.500     0.000 peak  3541 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.966 ppm2      4.004 CV     1
 OR { 3541}
   (( segid "    " and resid 23   and name HB1 ))
   (( segid "    " and resid 23   and name HA  ))
 ASSI { 3543}
   (( segid "    " and resid 23   and name HB1 ))
   (( segid "    " and resid 23   and name HG1 ))
      6.000     4.500     0.000 peak  3543 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.966 ppm2      1.567 CV     1
 OR { 3543}
   (( segid "    " and resid 23   and name HB2 ))
   (( segid "    " and resid 23   and name HG1 ))
 ASSI { 3546}
   (( segid "    " and resid 138  and name HB2 ))
   (( segid "    " and resid 138  and name HD2 ))
      6.000     4.500     0.000 peak  3546 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.863 ppm2      4.029 CV     1
 OR { 3546}
   (( segid "    " and resid 138  and name HB2 ))
   (( segid "    " and resid 138  and name HD1 ))
 ASSI { 3550}
   (( segid "    " and resid 138  and name HB2 ))
   (  segid "    " and resid 105  and name HG2%)
      6.000     4.500     0.000 peak  3550 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.836 ppm2      1.030 CV     1
 ASSI { 3552}
   (( segid "    " and resid 91   and name HB2 ))
   (( segid "    " and resid 91   and name HD2 ))
      6.000     4.500     0.000 peak  3552 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.815 ppm2      3.482 CV     1
 OR { 3552}
   (( segid "    " and resid 91   and name HB1 ))
   (( segid "    " and resid 91   and name HD2 ))
 ASSI { 3557}
   (( segid "    " and resid 119  and name HB1 ))
   (( segid "    " and resid 146  and name HG11))
      6.000     4.500     0.000 peak  3557 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.691 ppm2      1.600 CV     1
 ASSI { 3560}
   (( segid "    " and resid 119  and name HB1 ))
   (( segid "    " and resid 119  and name HB2 ))
      6.000     4.500     0.000 peak  3560 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.662 ppm2      1.496 CV     1
 ASSI { 3567}
   (( segid "    " and resid 119  and name HB2 ))
   (  segid "    " and resid 146  and name HD1%)
      6.000     4.500     0.000 peak  3567 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.507 ppm2      0.514 CV     1
 ASSI { 3571}
   (( segid "    " and resid 115  and name HB1 ))
   (( segid "    " and resid 115  and name HB2 ))
      6.000     4.500     0.000 peak  3571 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.787 ppm2      3.005 CV     1
 ASSI { 3574}
   (( segid "    " and resid 115  and name HB2 ))
   (( segid "    " and resid 118  and name HB1 ))
      6.000     4.500     0.000 peak  3574 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.013 ppm2      1.953 CV     1
 OR { 3574}
   (( segid "    " and resid 115  and name HB2 ))
   (( segid "    " and resid 118  and name HB2 ))
 ASSI { 3576}
   (( segid "    " and resid 72   and name HB2 ))
   (( segid "    " and resid 69   and name HA  ))
      6.000     4.500     0.000 peak  3576 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.960 ppm2      4.198 CV     1
 ASSI { 3585}
   (( segid "    " and resid 2    and name HB  ))
   (( segid "    " and resid 1    and name HG21))
      6.000     4.500     0.000 peak  3585 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.763 ppm2      0.560 CV     1
 ASSI { 3588}
   (( segid "    " and resid 32   and name HB1 ))
   (( segid "    " and resid 32   and name HB2 ))
      6.000     4.500     0.000 peak  3588 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.337 ppm2      3.130 CV     1
 ASSI { 3593}
   (( segid "    " and resid 32   and name HB2 ))
   (( segid "    " and resid 61   and name HB1 ))
      6.000     4.500     0.000 peak  3593 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.139 ppm2      1.313 CV     1
 ASSI { 3597}
   (( segid "    " and resid 32   and name HB2 ))
   (( segid "    " and resid 61   and name HB2 ))
      6.000     4.500     0.000 peak  3597 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.129 ppm2      1.780 CV     1
 ASSI { 3601}
   (( segid "    " and resid 17   and name HG1 ))
   (  segid "    " and resid 12   and name HB% )
      6.000     4.500     0.000 peak  3601 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.644 ppm2      1.237 CV     1
 OR { 3601}
   (( segid "    " and resid 17   and name HG2 ))
   (  segid "    " and resid 12   and name HB% )
 ASSI { 3602}
   (( segid "    " and resid 17   and name HG1 ))
   (  segid "    " and resid 94   and name HD1%)
      6.000     4.500     0.000 peak  3602 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.647 ppm2      0.855 CV     1
 OR { 3602}
   (( segid "    " and resid 17   and name HG2 ))
   (  segid "    " and resid 94   and name HD1%)
 OR { 3602}
   (( segid "    " and resid 17   and name HG1 ))
   (  segid "    " and resid 94   and name HD2%)
 ASSI { 3603}
   (( segid "    " and resid 17   and name HG1 ))
   (( segid "    " and resid 17   and name HB2 ))
      6.000     4.500     0.000 peak  3603 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.641 ppm2      2.168 CV     1
 OR { 3603}
   (( segid "    " and resid 17   and name HG1 ))
   (( segid "    " and resid 17   and name HB1 ))
 OR { 3603}
   (( segid "    " and resid 17   and name HG2 ))
   (( segid "    " and resid 17   and name HB2 ))
 OR { 3603}
   (( segid "    " and resid 17   and name HG2 ))
   (( segid "    " and resid 17   and name HB1 ))
 ASSI { 3605}
   (( segid "    " and resid 17   and name HG2 ))
   (( segid "    " and resid 16   and name HG2 ))
      6.000     4.500     0.000 peak  3605 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.622 ppm2      2.329 CV     1
 OR { 3605}
   (( segid "    " and resid 17   and name HG1 ))
   (( segid "    " and resid 16   and name HG2 ))
 ASSI { 3609}
   (( segid "    " and resid 2    and name HB  ))
   (  segid "    " and resid 2    and name HG2%)
      6.000     4.500     0.000 peak  3609 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.765 ppm2      0.777 CV     1
 ASSI { 3610}
   (( segid "    " and resid 2    and name HB  ))
   (  segid "    " and resid 2    and name HG1%)
      6.000     4.500     0.000 peak  3610 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.765 ppm2      0.131 CV     1
 ASSI { 3614}
   (( segid "    " and resid 121  and name HB2 ))
   (( segid "    " and resid 121  and name HB1 ))
      6.000     4.500     0.000 peak  3614 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.871 ppm2     -0.659 CV     1
 ASSI { 3620}
   (( segid "    " and resid 121  and name HB1 ))
   (( segid "    " and resid 121  and name HG1 ))
      6.000     4.500     0.000 peak  3620 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1     -0.647 ppm2      1.339 CV     1
 ASSI { 3624}
   (( segid "    " and resid 104  and name HB2 ))
   (( segid "    " and resid 104  and name HB1 ))
      6.000     4.500     0.000 peak  3624 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.397 ppm2      2.182 CV     1
 ASSI { 3626}
   (( segid "    " and resid 104  and name HB2 ))
   (( segid "    " and resid 104  and name HA  ))
      6.000     4.500     0.000 peak  3626 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.387 ppm2      4.265 CV     1
 ASSI { 3629}
   (( segid "    " and resid 104  and name HB2 ))
   (  segid "    " and resid 106  and name HD1%)
      6.000     4.500     0.000 peak  3629 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.388 ppm2      0.639 CV     1
 ASSI { 3634}
   (( segid "    " and resid 104  and name HB1 ))
   (  segid "    " and resid 106  and name HD1%)
      6.000     4.500     0.000 peak  3634 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.188 ppm2      0.638 CV     1
 ASSI { 3645}
   (( segid "    " and resid 121  and name HB1 ))
   (( segid "    " and resid 121  and name HA  ))
      6.000     4.500     0.000 peak  3645 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1     -0.659 ppm2      4.127 CV     1
 ASSI { 3646}
   (( segid "    " and resid 127  and name HB2 ))
   (  segid "    " and resid 57   and name HB% )
      6.000     4.500     0.000 peak  3646 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.722 ppm2      1.371 CV     1
 ASSI { 3648}
   (( segid "    " and resid 127  and name HB2 ))
   (( segid "    " and resid 127  and name HB1 ))
      6.000     4.500     0.000 peak  3648 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.710 ppm2      1.947 CV     1
 ASSI { 3649}
   (( segid "    " and resid 127  and name HB2 ))
   (( segid "    " and resid 127  and name HG1 ))
      6.000     4.500     0.000 peak  3649 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.709 ppm2      1.564 CV     1
 ASSI { 3650}
   (( segid "    " and resid 144  and name HB1 ))
   (( segid "    " and resid 144  and name HB2 ))
      6.000     4.500     0.000 peak  3650 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.138 ppm2      1.791 CV     1
 ASSI { 3653}
   (( segid "    " and resid 127  and name HB1 ))
   (( segid "    " and resid 127  and name HG1 ))
      6.000     4.500     0.000 peak  3653 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.954 ppm2      1.587 CV     1
 ASSI { 3655}
   (( segid "    " and resid 127  and name HB1 ))
   (  segid "    " and resid 57   and name HB% )
      6.000     4.500     0.000 peak  3655 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.940 ppm2      1.367 CV     1
 ASSI { 3658}
   (( segid "    " and resid 144  and name HB2 ))
   (( segid "    " and resid 144  and name HA  ))
      6.000     4.500     0.000 peak  3658 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.801 ppm2      3.526 CV     1
 ASSI { 3659}
   (( segid "    " and resid 144  and name HB2 ))
   (( segid "    " and resid 144  and name HD1 ))
      6.000     4.500     0.000 peak  3659 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.803 ppm2      3.271 CV     1
 ASSI { 3661}
   (( segid "    " and resid 144  and name HB2 ))
   (( segid "    " and resid 133  and name HB2 ))
      6.000     4.500     0.000 peak  3661 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.796 ppm2      1.610 CV     1
 ASSI { 3662}
   (( segid "    " and resid 82   and name HB2 ))
   (  segid "    " and resid 83   and name HG2%)
      6.000     4.500     0.000 peak  3662 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.602 ppm2      0.971 CV     1
 OR { 3662}
   (( segid "    " and resid 82   and name HB1 ))
   (  segid "    " and resid 83   and name HG2%)
 OR { 3662}
   (( segid "    " and resid 82   and name HB2 ))
   (  segid "    " and resid 83   and name HG1%)
 ASSI { 3665}
   (( segid "    " and resid 148  and name HB1 ))
   (( segid "    " and resid 148  and name HA  ))
      6.000     4.500     0.000 peak  3665 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.268 ppm2      4.442 CV     1
 ASSI { 3666}
   (( segid "    " and resid 148  and name HB1 ))
   (( segid "    " and resid 145  and name HA  ))
      6.000     4.500     0.000 peak  3666 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.269 ppm2      4.245 CV     1
 ASSI { 3668}
   (( segid "    " and resid 148  and name HB1 ))
   (( segid "    " and resid 145  and name HG2 ))
      6.000     4.500     0.000 peak  3668 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.271 ppm2      2.491 CV     1
 ASSI { 3670}
   (( segid "    " and resid 148  and name HB1 ))
   (( segid "    " and resid 147  and name HB2 ))
      6.000     4.500     0.000 peak  3670 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.276 ppm2      1.092 CV     1
 ASSI { 3672}
   (( segid "    " and resid 148  and name HB2 ))
   (( segid "    " and resid 144  and name HD2 ))
      6.000     4.500     0.000 peak  3672 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.202 ppm2      3.426 CV     1
 ASSI { 3673}
   (( segid "    " and resid 148  and name HB2 ))
   (( segid "    " and resid 148  and name HA  ))
      6.000     4.500     0.000 peak  3673 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.192 ppm2      4.426 CV     1
 ASSI { 3676}
   (( segid "    " and resid 148  and name HB2 ))
   (( segid "    " and resid 145  and name HA  ))
      6.000     4.500     0.000 peak  3676 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.187 ppm2      4.242 CV     1
 ASSI { 3679}
   (( segid "    " and resid 43   and name HB2 ))
   (( segid "    " and resid 44   and name HD2 ))
      6.000     4.500     0.000 peak  3679 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.452 ppm2      4.116 CV     1
 ASSI { 3680}
   (( segid "    " and resid 43   and name HB2 ))
   (( segid "    " and resid 43   and name HD2 ))
      6.000     4.500     0.000 peak  3680 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.450 ppm2      3.836 CV     1
 OR { 3680}
   (( segid "    " and resid 43   and name HB2 ))
   (( segid "    " and resid 43   and name HD1 ))
 ASSI { 3681}
   (( segid "    " and resid 43   and name HB2 ))
   (( segid "    " and resid 43   and name HG2 ))
      6.000     4.500     0.000 peak  3681 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.450 ppm2      2.184 CV     1
 OR { 3681}
   (( segid "    " and resid 43   and name HB2 ))
   (( segid "    " and resid 43   and name HG1 ))
 ASSI { 3682}
   (( segid "    " and resid 43   and name HB2 ))
   (( segid "    " and resid 43   and name HB1 ))
      6.000     4.500     0.000 peak  3682 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.447 ppm2      2.016 CV     1
 ASSI { 3686}
   (( segid "    " and resid 50   and name HB1 ))
   (( segid "    " and resid 51   and name HD2 ))
      6.000     4.500     0.000 peak  3686 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.021 ppm2      3.437 CV     1
 OR { 3686}
   (( segid "    " and resid 50   and name HB2 ))
   (( segid "    " and resid 51   and name HD2 ))
 ASSI { 3688}
   (( segid "    " and resid 50   and name HB1 ))
   (( segid "    " and resid 44   and name HG2 ))
      6.000     4.500     0.000 peak  3688 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.019 ppm2      2.190 CV     1
 OR { 3688}
   (( segid "    " and resid 50   and name HB2 ))
   (( segid "    " and resid 44   and name HG2 ))
 OR { 3688}
   (( segid "    " and resid 50   and name HB1 ))
   (( segid "    " and resid 44   and name HG1 ))
 ASSI { 3693}
   (( segid "    " and resid 141  and name HB1 ))
   (( segid "    " and resid 137  and name HB1 ))
      6.000     4.500     0.000 peak  3693 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.864 ppm2      3.403 CV     1
 ASSI { 3695}
   (( segid "    " and resid 141  and name HB1 ))
   (  segid "    " and resid 146  and name HD1%)
      6.000     4.500     0.000 peak  3695 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.869 ppm2      0.480 CV     1
 ASSI { 3699}
   (( segid "    " and resid 141  and name HB2 ))
   (( segid "    " and resid 141  and name HG1 ))
      6.000     4.500     0.000 peak  3699 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.778 ppm2      2.278 CV     1
 ASSI { 3700}
   (( segid "    " and resid 141  and name HB2 ))
   (( segid "    " and resid 141  and name HG2 ))
      6.000     4.500     0.000 peak  3700 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.779 ppm2      2.040 CV     1
 ASSI { 3701}
   (( segid "    " and resid 141  and name HB2 ))
   (  segid "    " and resid 146  and name HD1%)
      6.000     4.500     0.000 peak  3701 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.774 ppm2      0.487 CV     1
 ASSI { 3704}
   (( segid "    " and resid 88   and name HB2 ))
   (( segid "    " and resid 88   and name HA  ))
      6.000     4.500     0.000 peak  3704 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.688 ppm2      4.077 CV     1
 ASSI { 3706}
   (( segid "    " and resid 88   and name HB2 ))
   (( segid "    " and resid 88   and name HD1 ))
      6.000     4.500     0.000 peak  3706 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.681 ppm2      2.723 CV     1
 ASSI { 3707}
   (( segid "    " and resid 88   and name HB2 ))
   (( segid "    " and resid 88   and name HG1 ))
      6.000     4.500     0.000 peak  3707 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.682 ppm2      1.109 CV     1
 OR { 3707}
   (( segid "    " and resid 88   and name HB2 ))
   (( segid "    " and resid 88   and name HG2 ))
 ASSI { 3708}
   (( segid "    " and resid 88   and name HB2 ))
   (( segid "    " and resid 88   and name HB1 ))
      6.000     4.500     0.000 peak  3708 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.677 ppm2      1.525 CV     1
 ASSI { 3711}
   (( segid "    " and resid 82   and name HB1 ))
   (( segid "    " and resid 77   and name HB1 ))
      6.000     4.500     0.000 peak  3711 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.601 ppm2      2.594 CV     1
 OR { 3711}
   (( segid "    " and resid 82   and name HB2 ))
   (( segid "    " and resid 77   and name HB1 ))
 ASSI { 3712}
   (( segid "    " and resid 82   and name HB1 ))
   (( segid "    " and resid 82   and name HD1 ))
      6.000     4.500     0.000 peak  3712 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.593 ppm2      3.353 CV     1
 OR { 3712}
   (( segid "    " and resid 82   and name HB2 ))
   (( segid "    " and resid 82   and name HD1 ))
 ASSI { 3715}
   (( segid "    " and resid 18   and name HB  ))
   (  segid "    " and resid 22   and name HD2%)
      6.000     4.500     0.000 peak  3715 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.543 ppm2      0.915 CV     1
 ASSI { 3716}
   (( segid "    " and resid 18   and name HB  ))
   (  segid "    " and resid 7    and name HG2%)
      6.000     4.500     0.000 peak  3716 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.541 ppm2      0.800 CV     1
 ASSI { 3717}
   (( segid "    " and resid 18   and name HB  ))
   (  segid "    " and resid 18   and name HG2%)
      6.000     4.500     0.000 peak  3717 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.540 ppm2      0.635 CV     1
 ASSI { 3718}
   (( segid "    " and resid 18   and name HB  ))
   (  segid "    " and resid 18   and name HG1%)
      6.000     4.500     0.000 peak  3718 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.541 ppm2      0.234 CV     1
 ASSI { 3719}
   (( segid "    " and resid 18   and name HB  ))
   (  segid "    " and resid 54   and name HD2%)
      6.000     4.500     0.000 peak  3719 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.537 ppm2     -0.634 CV     1
 ASSI { 3720}
   (( segid "    " and resid 88   and name HB1 ))
   (( segid "    " and resid 88   and name HA  ))
      6.000     4.500     0.000 peak  3720 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.529 ppm2      4.078 CV     1
 ASSI { 3724}
   (( segid "    " and resid 88   and name HB1 ))
   (( segid "    " and resid 88   and name HG2 ))
      6.000     4.500     0.000 peak  3724 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.526 ppm2      1.101 CV     1
 OR { 3724}
   (( segid "    " and resid 88   and name HB1 ))
   (( segid "    " and resid 88   and name HG1 ))
 ASSI { 3725}
   (( segid "    " and resid 88   and name HB1 ))
   (( segid "    " and resid 88   and name HD1 ))
      6.000     4.500     0.000 peak  3725 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.517 ppm2      2.725 CV     1
 ASSI { 3727}
   (( segid "    " and resid 66   and name HB2 ))
   (  segid "    " and resid 111  and name HD1%)
      6.000     4.500     0.000 peak  3727 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.293 ppm2      0.350 CV     1
 ASSI { 3730}
   (( segid "    " and resid 66   and name HB2 ))
   (( segid "    " and resid 66   and name HB1 ))
      6.000     4.500     0.000 peak  3730 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.286 ppm2      0.555 CV     1
 ASSI { 3734}
   (( segid "    " and resid 66   and name HB1 ))
   (( segid "    " and resid 66   and name HG1 ))
      6.000     4.500     0.000 peak  3734 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.557 ppm2      1.740 CV     1
 ASSI { 3738}
   (( segid "    " and resid 66   and name HB1 ))
   (  segid "    " and resid 111  and name HD1%)
      6.000     6.000     0.000 peak  3738 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.557 ppm2      0.336 CV     1
 ASSI { 3741}
   (( segid "    " and resid 118  and name HG1 ))
   (( segid "    " and resid 119  and name HA  ))
      6.000     4.500     0.000 peak  3741 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.328 ppm2      3.837 CV     1
 OR { 3741}
   (( segid "    " and resid 118  and name HG2 ))
   (( segid "    " and resid 119  and name HA  ))
 ASSI { 3743}
   (( segid "    " and resid 118  and name HG1 ))
   (( segid "    " and resid 124  and name HB1 ))
      6.000     4.500     0.000 peak  3743 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.329 ppm2      2.177 CV     1
 OR { 3743}
   (( segid "    " and resid 118  and name HG2 ))
   (( segid "    " and resid 124  and name HB1 ))
 OR { 3743}
   (( segid "    " and resid 118  and name HG1 ))
   (( segid "    " and resid 124  and name HB2 ))
 OR { 3743}
   (( segid "    " and resid 118  and name HG2 ))
   (( segid "    " and resid 124  and name HB2 ))
 ASSI { 3744}
   (( segid "    " and resid 118  and name HG2 ))
   (( segid "    " and resid 118  and name HB1 ))
      6.000     4.500     0.000 peak  3744 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.329 ppm2      1.966 CV     1
 OR { 3744}
   (( segid "    " and resid 118  and name HG1 ))
   (( segid "    " and resid 118  and name HB2 ))
 OR { 3744}
   (( segid "    " and resid 118  and name HG1 ))
   (( segid "    " and resid 118  and name HB1 ))
 OR { 3744}
   (( segid "    " and resid 118  and name HG2 ))
   (( segid "    " and resid 118  and name HB2 ))
 ASSI { 3747}
   (( segid "    " and resid 130  and name HB1 ))
   (  segid "    " and resid 131  and name HG2%)
      6.000     4.500     0.000 peak  3747 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.642 ppm2      0.846 CV     1
 ASSI { 3749}
   (( segid "    " and resid 77   and name HB1 ))
   (( segid "    " and resid 78   and name HA  ))
      6.000     4.500     0.000 peak  3749 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.581 ppm2      4.210 CV     1
 ASSI { 3751}
   (( segid "    " and resid 77   and name HB1 ))
   (( segid "    " and resid 77   and name HB2 ))
      6.000     4.500     0.000 peak  3751 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.585 ppm2      1.816 CV     1
 ASSI { 3753}
   (( segid "    " and resid 48   and name HB2 ))
   (( segid "    " and resid 48   and name HA  ))
      6.000     4.500     0.000 peak  3753 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.292 ppm2      4.315 CV     1
 ASSI { 3754}
   (( segid "    " and resid 48   and name HB2 ))
   (( segid "    " and resid 48   and name HB1 ))
      6.000     4.500     0.000 peak  3754 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.298 ppm2      2.040 CV     1
 ASSI { 3763}
   (( segid "    " and resid 50   and name HB1 ))
   (( segid "    " and resid 91   and name HD2 ))
      6.000     4.500     0.000 peak  3763 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.024 ppm2      3.486 CV     1
 OR { 3763}
   (( segid "    " and resid 50   and name HB2 ))
   (( segid "    " and resid 91   and name HD2 ))
 ASSI { 3764}
   (( segid "    " and resid 50   and name HB2 ))
   (( segid "    " and resid 51   and name HG2 ))
      6.000     4.500     0.000 peak  3764 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.010 ppm2      1.876 CV     1
 OR { 3764}
   (( segid "    " and resid 50   and name HB1 ))
   (( segid "    " and resid 51   and name HG2 ))
 ASSI { 3769}
   (( segid "    " and resid 84   and name HB1 ))
   (( segid "    " and resid 84   and name HD2 ))
      6.000     4.500     0.000 peak  3769 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.868 ppm2      3.242 CV     1
 OR { 3769}
   (( segid "    " and resid 84   and name HB1 ))
   (( segid "    " and resid 84   and name HD1 ))
 OR { 3769}
   (( segid "    " and resid 84   and name HB2 ))
   (( segid "    " and resid 84   and name HD1 ))
 OR { 3769}
   (( segid "    " and resid 84   and name HB2 ))
   (( segid "    " and resid 84   and name HD2 ))
 ASSI { 3770}
   (( segid "    " and resid 84   and name HB2 ))
   (  segid "    " and resid 83   and name HG1%)
      6.000     4.500     0.000 peak  3770 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.866 ppm2      0.983 CV     1
 OR { 3770}
   (( segid "    " and resid 84   and name HB1 ))
   (  segid "    " and resid 83   and name HG1%)
 ASSI { 3772}
   (( segid "    " and resid 77   and name HB2 ))
   (( segid "    " and resid 77   and name HA  ))
      6.000     4.500     0.000 peak  3772 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.822 ppm2      3.771 CV     1
 ASSI { 3774}
   (( segid "    " and resid 141  and name HB2 ))
   (( segid "    " and resid 142  and name HG1 ))
      6.000     4.500     0.000 peak  3774 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.807 ppm2      2.852 CV     1
 ASSI { 3775}
   (( segid "    " and resid 141  and name HB2 ))
   (( segid "    " and resid 146  and name HG12))
      6.000     4.500     0.000 peak  3775 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.801 ppm2      0.987 CV     1
 ASSI { 3777}
   (( segid "    " and resid 61   and name HB2 ))
   (  segid "    " and resid 34   and name HD2%)
      6.000     4.500     0.000 peak  3777 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.761 ppm2      0.825 CV     1
 OR { 3777}
   (( segid "    " and resid 61   and name HB2 ))
   (  segid "    " and resid 34   and name HD1%)
 ASSI { 3780}
   (( segid "    " and resid 92   and name HB2 ))
   (( segid "    " and resid 92   and name HD2 ))
      6.000     4.500     0.000 peak  3780 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.656 ppm2      3.523 CV     1
 ASSI { 3783}
   (( segid "    " and resid 61   and name HB1 ))
   (( segid "    " and resid 61   and name HG1 ))
      6.000     4.500     0.000 peak  3783 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.312 ppm2      1.922 CV     1
 ASSI { 3788}
   (( segid "    " and resid 66   and name HB1 ))
   (( segid "    " and resid 66   and name HG2 ))
      6.000     4.500     0.000 peak  3788 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.556 ppm2      0.790 CV     1
 ASSI { 3791}
   (( segid "    " and resid 158  and name HB2 ))
   (( segid "    " and resid 54   and name HB1 ))
      6.000     4.500     0.000 peak  3791 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.076 ppm2      0.970 CV     1
 ASSI { 3792}
   (( segid "    " and resid 158  and name HB2 ))
   (  segid "    " and resid 54   and name HD1%)
      6.000     4.500     0.000 peak  3792 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.082 ppm2     -0.616 CV     1
 ASSI { 3794}
   (( segid "    " and resid 158  and name HB2 ))
   (( segid "    " and resid 158  and name HB1 ))
      6.000     4.500     0.000 peak  3794 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.071 ppm2      2.769 CV     1
 ASSI { 3801}
   (( segid "    " and resid 158  and name HB1 ))
   (  segid "    " and resid 54   and name HD1%)
      6.000     4.500     0.000 peak  3801 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.771 ppm2     -0.635 CV     1
 ASSI { 3802}
   (( segid "    " and resid 130  and name HB1 ))
   (( segid "    " and resid 130  and name HA  ))
      6.000     4.500     0.000 peak  3802 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.653 ppm2      3.890 CV     1
 ASSI { 3804}
   (( segid "    " and resid 130  and name HB1 ))
   (( segid "    " and resid 130  and name HB2 ))
      6.000     4.500     0.000 peak  3804 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.641 ppm2      2.286 CV     1
 ASSI { 3806}
   (( segid "    " and resid 68   and name HB1 ))
   (( segid "    " and resid 64   and name HG  ))
      6.000     4.500     0.000 peak  3806 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.292 ppm2      0.749 CV     1
 OR { 3806}
   (( segid "    " and resid 68   and name HB2 ))
   (( segid "    " and resid 64   and name HG  ))
 ASSI { 3808}
   (( segid "    " and resid 68   and name HB1 ))
   (( segid "    " and resid 68   and name HG2 ))
      6.000     4.500     0.000 peak  3808 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.284 ppm2      2.412 CV     1
 OR { 3808}
   (( segid "    " and resid 68   and name HB2 ))
   (( segid "    " and resid 68   and name HG1 ))
 OR { 3808}
   (( segid "    " and resid 68   and name HB1 ))
   (( segid "    " and resid 68   and name HG1 ))
 OR { 3808}
   (( segid "    " and resid 68   and name HB2 ))
   (( segid "    " and resid 68   and name HG2 ))
 ASSI { 3810}
   (( segid "    " and resid 68   and name HB1 ))
   (( segid "    " and resid 64   and name HB2 ))
      6.000     4.500     0.000 peak  3810 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.284 ppm2      1.745 CV     1
 OR { 3810}
   (( segid "    " and resid 68   and name HB2 ))
   (( segid "    " and resid 64   and name HB2 ))
 ASSI { 3811}
   (( segid "    " and resid 68   and name HB1 ))
   (  segid "    " and resid 65   and name HB% )
      6.000     4.500     0.000 peak  3811 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.283 ppm2      1.476 CV     1
 OR { 3811}
   (( segid "    " and resid 68   and name HB2 ))
   (  segid "    " and resid 65   and name HB% )
 ASSI { 3821}
   (( segid "    " and resid 87   and name HB1 ))
   (( segid "    " and resid 48   and name HB2 ))
      6.000     4.500     0.000 peak  3821 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.020 ppm2      2.313 CV     1
 OR { 3821}
   (( segid "    " and resid 87   and name HB2 ))
   (( segid "    " and resid 48   and name HB2 ))
 ASSI { 3824}
   (( segid "    " and resid 87   and name HB2 ))
   (( segid "    " and resid 87   and name HA  ))
      6.000     4.500     0.000 peak  3824 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.011 ppm2      4.193 CV     1
 OR { 3824}
   (( segid "    " and resid 87   and name HB1 ))
   (( segid "    " and resid 87   and name HA  ))
 ASSI { 3825}
   (( segid "    " and resid 158  and name HB1 ))
   (( segid "    " and resid 54   and name HG  ))
      6.000     4.500     0.000 peak  3825 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.776 ppm2      0.253 CV     1
 ASSI { 3827}
   (( segid "    " and resid 150  and name HB2 ))
   (( segid "    " and resid 150  and name HB1 ))
      6.000     4.500     0.000 peak  3827 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.263 ppm2      0.922 CV     1
 ASSI { 3838}
   (( segid "    " and resid 75   and name HB2 ))
   (( segid "    " and resid 72   and name HA  ))
      6.000     4.500     0.000 peak  3838 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.330 ppm2      4.399 CV     1
 ASSI { 3840}
   (( segid "    " and resid 75   and name HB2 ))
   (( segid "    " and resid 75   and name HB1 ))
      6.000     4.500     0.000 peak  3840 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.341 ppm2      1.904 CV     1
 ASSI { 3841}
   (( segid "    " and resid 75   and name HB2 ))
   (( segid "    " and resid 75   and name HG2 ))
      6.000     4.500     0.000 peak  3841 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.339 ppm2      1.580 CV     1
 ASSI { 3845}
   (( segid "    " and resid 28   and name HG12))
   (  segid "    " and resid 28   and name HD1%)
      6.000     4.500     0.000 peak  3845 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.100 ppm2      0.803 CV     1
 OR { 3845}
   (( segid "    " and resid 28   and name HG11))
   (  segid "    " and resid 28   and name HD1%)
 ASSI { 3846}
   (( segid "    " and resid 28   and name HG11))
   (( segid "    " and resid 25   and name HA  ))
      6.000     4.500     0.000 peak  3846 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.084 ppm2      3.903 CV     1
 OR { 3846}
   (( segid "    " and resid 28   and name HG12))
   (( segid "    " and resid 25   and name HA  ))
 ASSI { 3847}
   (( segid "    " and resid 28   and name HG12))
   (( segid "    " and resid 28   and name HA  ))
      6.000     4.500     0.000 peak  3847 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.087 ppm2      3.784 CV     1
 OR { 3847}
   (( segid "    " and resid 28   and name HG11))
   (( segid "    " and resid 28   and name HA  ))
 ASSI { 3851}
   (( segid "    " and resid 28   and name HG11))
   (  segid "    " and resid 28   and name HG2%)
      6.000     4.500     0.000 peak  3851 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.091 ppm2      0.624 CV     1
 OR { 3851}
   (( segid "    " and resid 28   and name HG12))
   (  segid "    " and resid 28   and name HG2%)
 ASSI { 3855}
   (( segid "    " and resid 75   and name HB1 ))
   (( segid "    " and resid 75   and name HD1 ))
      6.000     4.500     0.000 peak  3855 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.901 ppm2      3.352 CV     1
 ASSI { 3857}
   (( segid "    " and resid 75   and name HB1 ))
   (( segid "    " and resid 75   and name HG2 ))
      6.000     4.500     0.000 peak  3857 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.906 ppm2      1.585 CV     1
 ASSI { 3859}
   (( segid "    " and resid 23   and name HD1 ))
   (( segid "    " and resid 23   and name HD2 ))
      6.000     4.500     0.000 peak  3859 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.705 ppm2      1.444 CV     1
 OR { 3859}
   (( segid "    " and resid 23   and name HD1 ))
   (( segid "    " and resid 23   and name HG2 ))
 ASSI { 3864}
   (( segid "    " and resid 23   and name HD1 ))
   (( segid "    " and resid 23   and name HB1 ))
      6.000     4.500     0.000 peak  3864 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.703 ppm2      1.970 CV     1
 OR { 3864}
   (( segid "    " and resid 23   and name HD1 ))
   (( segid "    " and resid 23   and name HB2 ))
 ASSI { 3865}
   (( segid "    " and resid 23   and name HD1 ))
   (( segid "    " and resid 23   and name HG1 ))
      6.000     4.500     0.000 peak  3865 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.702 ppm2      1.548 CV     1
 ASSI { 3886}
   (( segid "    " and resid 145  and name HB2 ))
   (( segid "    " and resid 145  and name HA  ))
      6.000     4.500     0.000 peak  3886 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.327 ppm2      4.246 CV     1
 OR { 3886}
   (( segid "    " and resid 145  and name HB1 ))
   (( segid "    " and resid 145  and name HA  ))
 ASSI { 3887}
   (( segid "    " and resid 145  and name HB2 ))
   (( segid "    " and resid 145  and name HG1 ))
      6.000     4.500     0.000 peak  3887 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.328 ppm2      2.487 CV     1
 OR { 3887}
   (( segid "    " and resid 145  and name HB1 ))
   (( segid "    " and resid 145  and name HG1 ))
 OR { 3887}
   (( segid "    " and resid 145  and name HB2 ))
   (( segid "    " and resid 145  and name HG2 ))
 ASSI { 3895}
   (( segid "    " and resid 33   and name HG12))
   (( segid "    " and resid 34   and name HA  ))
      6.000     4.500     0.000 peak  3895 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.617 ppm2      4.510 CV     1
 OR { 3895}
   (( segid "    " and resid 33   and name HG11))
   (( segid "    " and resid 34   and name HA  ))
 ASSI { 3900}
   (( segid "    " and resid 33   and name HG12))
   (( segid "    " and resid 61   and name HB2 ))
      6.000     4.500     0.000 peak  3900 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.610 ppm2      1.758 CV     1
 OR { 3900}
   (( segid "    " and resid 33   and name HG11))
   (( segid "    " and resid 61   and name HB2 ))
 ASSI { 3901}
   (( segid "    " and resid 33   and name HG11))
   (( segid "    " and resid 22   and name HB1 ))
      6.000     4.500     0.000 peak  3901 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.611 ppm2      1.462 CV     1
 OR { 3901}
   (( segid "    " and resid 33   and name HG12))
   (( segid "    " and resid 22   and name HB1 ))
 ASSI { 3902}
   (( segid "    " and resid 23   and name HD2 ))
   (( segid "    " and resid 23   and name HD1 ))
      6.000     4.500     0.000 peak  3902 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.456 ppm2      1.696 CV     1
 ASSI { 3929}
   (( segid "    " and resid 145  and name HB1 ))
   (( segid "    " and resid 146  and name HG12))
      6.000     4.500     0.000 peak  3929 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.319 ppm2      1.012 CV     1
 OR { 3929}
   (( segid "    " and resid 145  and name HB2 ))
   (( segid "    " and resid 146  and name HG12))
 ASSI { 3931}
   (( segid "    " and resid 67   and name HB1 ))
   (  segid "    " and resid 65   and name HB% )
      6.000     4.500     0.000 peak  3931 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.862 ppm2      1.489 CV     1
 OR { 3931}
   (( segid "    " and resid 67   and name HB2 ))
   (  segid "    " and resid 65   and name HB% )
 ASSI { 3932}
   (( segid "    " and resid 67   and name HB1 ))
   (( segid "    " and resid 66   and name HB2 ))
      6.000     4.500     0.000 peak  3932 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.864 ppm2      1.293 CV     1
 OR { 3932}
   (( segid "    " and resid 67   and name HB2 ))
   (( segid "    " and resid 66   and name HB2 ))
 ASSI { 3933}
   (( segid "    " and resid 67   and name HB1 ))
   (  segid "    " and resid 111  and name HD1%)
      6.000     4.500     0.000 peak  3933 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.861 ppm2      0.348 CV     1
 OR { 3933}
   (( segid "    " and resid 67   and name HB2 ))
   (  segid "    " and resid 111  and name HD1%)
 ASSI { 3936}
   (( segid "    " and resid 100  and name HG  ))
   (  segid "    " and resid 135  and name HD1%)
      6.000     4.500     0.000 peak  3936 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.604 ppm2      0.117 CV     1
 ASSI { 3939}
   (( segid "    " and resid 134  and name HB1 ))
   (( segid "    " and resid 134  and name HB2 ))
      6.000     4.500     0.000 peak  3939 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.318 ppm2      1.762 CV     1
 ASSI { 3940}
   (( segid "    " and resid 134  and name HB1 ))
   (( segid "    " and resid 134  and name HA  ))
      6.000     4.500     0.000 peak  3940 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.313 ppm2      4.537 CV     1
 ASSI { 3942}
   (( segid "    " and resid 44   and name HG2 ))
   (( segid "    " and resid 44   and name HD2 ))
      6.000     4.500     0.000 peak  3942 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.193 ppm2      4.124 CV     1
 OR { 3942}
   (( segid "    " and resid 44   and name HG1 ))
   (( segid "    " and resid 44   and name HD2 ))
 ASSI { 3949}
   (( segid "    " and resid 98   and name HG12))
   (( segid "    " and resid 98   and name HG11))
      6.000     4.500     0.000 peak  3949 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.879 ppm2      0.987 CV     1
 ASSI { 3950}
   (( segid "    " and resid 98   and name HG12))
   (  segid "    " and resid 98   and name HG2%)
      6.000     4.500     0.000 peak  3950 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.880 ppm2      0.825 CV     1
 ASSI { 3951}
   (( segid "    " and resid 98   and name HG12))
   (( segid "    " and resid 98   and name HB  ))
      6.000     4.500     0.000 peak  3951 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.870 ppm2      2.139 CV     1
 ASSI { 3954}
   (( segid "    " and resid 134  and name HB2 ))
   (( segid "    " and resid 134  and name HB1 ))
      6.000     4.500     0.000 peak  3954 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.753 ppm2      2.314 CV     1
 OR { 3954}
   (( segid "    " and resid 134  and name HB2 ))
   (( segid "    " and resid 134  and name HG1 ))
 ASSI { 3957}
   (( segid "    " and resid 146  and name HG11))
   (  segid "    " and resid 146  and name HD1%)
      6.000     4.500     0.000 peak  3957 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.596 ppm2      0.487 CV     1
 ASSI { 3958}
   (( segid "    " and resid 5    and name HG12))
   (  segid "    " and resid 5    and name HG2%)
      6.000     4.500     0.000 peak  3958 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.583 ppm2      0.850 CV     1
 OR { 3958}
   (( segid "    " and resid 5    and name HG11))
   (  segid "    " and resid 5    and name HG2%)
 ASSI { 3968}
   (( segid "    " and resid 146  and name HG12))
   (( segid "    " and resid 146  and name HG11))
      6.000     4.500     0.000 peak  3968 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.982 ppm2      1.597 CV     1
 ASSI { 3969}
   (( segid "    " and resid 98   and name HG11))
   (  segid "    " and resid 98   and name HG2%)
      6.000     4.500     0.000 peak  3969 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.984 ppm2      0.819 CV     1
 ASSI { 3970}
   (( segid "    " and resid 146  and name HG12))
   (  segid "    " and resid 146  and name HG2%)
      6.000     4.500     0.000 peak  3970 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.981 ppm2      0.756 CV     1
 ASSI { 3971}
   (( segid "    " and resid 146  and name HG12))
   (  segid "    " and resid 146  and name HD1%)
      6.000     4.500     0.000 peak  3971 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.983 ppm2      0.482 CV     1
 ASSI { 3979}
   (( segid "    " and resid 79   and name HB2 ))
   (( segid "    " and resid 79   and name HB1 ))
      6.000     4.500     0.000 peak  3979 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.356 ppm2      2.304 CV     1
 ASSI { 3980}
   (( segid "    " and resid 79   and name HB1 ))
   (( segid "    " and resid 79   and name HG2 ))
      6.000     4.500     0.000 peak  3980 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.278 ppm2      2.580 CV     1
 ASSI { 3985}
   (( segid "    " and resid 127  and name HG2 ))
   (  segid "    " and resid 155  and name HD1%)
      6.000     4.500     0.000 peak  3985 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.057 ppm2      0.518 CV     1
 ASSI { 3986}
   (( segid "    " and resid 127  and name HG2 ))
   (( segid "    " and resid 127  and name HD1 ))
      6.000     4.500     0.000 peak  3986 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.054 ppm2      3.389 CV     1
 ASSI { 3987}
   (( segid "    " and resid 127  and name HG2 ))
   (( segid "    " and resid 126  and name HB1 ))
      6.000     4.500     0.000 peak  3987 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.049 ppm2      3.103 CV     1
 ASSI { 3988}
   (( segid "    " and resid 127  and name HG2 ))
   (( segid "    " and resid 127  and name HG1 ))
      6.000     4.500     0.000 peak  3988 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.055 ppm2      1.570 CV     1
 ASSI { 3996}
   (( segid "    " and resid 146  and name HG11))
   (( segid "    " and resid 143  and name HA  ))
      6.000     4.500     0.000 peak  3996 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.599 ppm2      4.107 CV     1
 ASSI { 4014}
   (( segid "    " and resid 79   and name HB2 ))
   (( segid "    " and resid 76   and name HA  ))
      6.000     4.500     0.000 peak  4014 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.369 ppm2      3.593 CV     1
 ASSI { 4015}
   (( segid "    " and resid 79   and name HB2 ))
   (  segid "    " and resid 76   and name HG2%)
      6.000     4.500     0.000 peak  4015 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.369 ppm2      0.833 CV     1
 ASSI { 4016}
   (( segid "    " and resid 79   and name HB2 ))
   (( segid "    " and resid 79   and name HA  ))
      6.000     4.500     0.000 peak  4016 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.366 ppm2      4.187 CV     1
 ASSI { 4017}
   (( segid "    " and resid 79   and name HB2 ))
   (( segid "    " and resid 79   and name HG2 ))
      6.000     4.500     0.000 peak  4017 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.367 ppm2      2.574 CV     1
 ASSI { 4018}
   (( segid "    " and resid 79   and name HB1 ))
   (( segid "    " and resid 76   and name HA  ))
      6.000     4.500     0.000 peak  4018 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.278 ppm2      3.600 CV     1
 ASSI { 4028}
   (( segid "    " and resid 14   and name HG2 ))
   (( segid "    " and resid 54   and name HB1 ))
      6.000     4.500     0.000 peak  4028 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.163 ppm2      0.954 CV     1
 ASSI { 4035}
   (( segid "    " and resid 127  and name HG2 ))
   (( segid "    " and resid 123  and name HA  ))
      6.000     4.500     0.000 peak  4035 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.057 ppm2      4.339 CV     1
 ASSI { 4038}
   (( segid "    " and resid 127  and name HG2 ))
   (( segid "    " and resid 123  and name HB2 ))
      6.000     4.500     0.000 peak  4038 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.054 ppm2      2.743 CV     1
 ASSI { 4044}
   (( segid "    " and resid 29   and name HG1 ))
   (  segid "    " and resid 28   and name HG2%)
      6.000     4.500     0.000 peak  4044 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.994 ppm2      0.608 CV     1
 ASSI { 4046}
   (( segid "    " and resid 29   and name HG1 ))
   (( segid "    " and resid 29   and name HD2 ))
      6.000     4.500     0.000 peak  4046 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.989 ppm2      3.668 CV     1
 ASSI { 4048}
   (( segid "    " and resid 74   and name HB1 ))
   (( segid "    " and resid 77   and name HB1 ))
      6.000     4.500     0.000 peak  4048 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.932 ppm2      2.584 CV     1
 ASSI { 4057}
   (( segid "    " and resid 84   and name HG2 ))
   (( segid "    " and resid 84   and name HA  ))
      6.000     4.500     0.000 peak  4057 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.671 ppm2      4.264 CV     1
 OR { 4057}
   (( segid "    " and resid 84   and name HG1 ))
   (( segid "    " and resid 84   and name HA  ))
 ASSI { 4059}
   (( segid "    " and resid 144  and name HG2 ))
   (( segid "    " and resid 144  and name HD1 ))
      6.000     4.500     0.000 peak  4059 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.654 ppm2      3.243 CV     1
 ASSI { 4060}
   (( segid "    " and resid 144  and name HG2 ))
   (( segid "    " and resid 144  and name HA  ))
      6.000     4.500     0.000 peak  4060 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.632 ppm2      3.524 CV     1
 ASSI { 4063}
   (( segid "    " and resid 41   and name HG2 ))
   (( segid "    " and resid 41   and name HG1 ))
      6.000     4.500     0.000 peak  4063 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.606 ppm2      1.321 CV     1
 ASSI { 4064}
   (( segid "    " and resid 144  and name HG1 ))
   (( segid "    " and resid 144  and name HA  ))
      6.000     4.500     0.000 peak  4064 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.579 ppm2      3.525 CV     1
 ASSI { 4072}
   (( segid "    " and resid 14   and name HG1 ))
   (( segid "    " and resid 14   and name HD2 ))
      6.000     4.500     0.000 peak  4072 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.459 ppm2      3.603 CV     1
 ASSI { 4073}
   (( segid "    " and resid 14   and name HG1 ))
   (( segid "    " and resid 14   and name HG2 ))
      6.000     4.500     0.000 peak  4073 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.455 ppm2      2.175 CV     1
 ASSI { 4081}
   (  segid "    " and resid 60   and name HD1%)
   (( segid "    " and resid 31   and name HB1 ))
      6.000     4.500     0.000 peak  4081 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.743 ppm2      3.595 CV     1
 OR { 4081}
   (  segid "    " and resid 60   and name HD1%)
   (( segid "    " and resid 31   and name HB2 ))
 ASSI { 4091}
   (  segid "    " and resid 100  and name HD2%)
   (( segid "    " and resid 135  and name HG  ))
      6.000     4.500     0.000 peak  4091 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.672 ppm2      1.242 CV     1
 ASSI { 4100}
   (( segid "    " and resid 126  and name HB1 ))
   (( segid "    " and resid 127  and name HD1 ))
      6.000     4.500     0.000 peak  4100 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.121 ppm2      3.394 CV     1
 ASSI { 4102}
   (( segid "    " and resid 126  and name HB1 ))
   (( segid "    " and resid 126  and name HB2 ))
      6.000     4.500     0.000 peak  4102 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.117 ppm2      2.962 CV     1
 ASSI { 4103}
   (( segid "    " and resid 126  and name HB1 ))
   (  segid "    " and resid 155  and name HD1%)
      6.000     4.500     0.000 peak  4103 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.119 ppm2      0.504 CV     1
 OR { 4103}
   (( segid "    " and resid 126  and name HB1 ))
   (  segid "    " and resid 155  and name HD2%)
 ASSI { 4106}
   (( segid "    " and resid 126  and name HB2 ))
   (( segid "    " and resid 155  and name HB2 ))
      6.000     4.500     0.000 peak  4106 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.971 ppm2      1.433 CV     1
 OR { 4106}
   (( segid "    " and resid 126  and name HB2 ))
   (( segid "    " and resid 155  and name HB1 ))
 ASSI { 4109}
   (( segid "    " and resid 126  and name HB2 ))
   (  segid "    " and resid 155  and name HD1%)
      6.000     4.500     0.000 peak  4109 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.966 ppm2      0.504 CV     1
 OR { 4109}
   (( segid "    " and resid 126  and name HB2 ))
   (  segid "    " and resid 155  and name HD2%)
 ASSI { 4110}
   (( segid "    " and resid 80   and name HB1 ))
   (  segid "    " and resid 76   and name HG2%)
      6.000     4.500     0.000 peak  4110 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.880 ppm2      0.833 CV     1
 ASSI { 4114}
   (( segid "    " and resid 80   and name HB1 ))
   (( segid "    " and resid 80   and name HB2 ))
      6.000     4.500     0.000 peak  4114 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.873 ppm2      1.786 CV     1
 ASSI { 4118}
   (( segid "    " and resid 14   and name HG2 ))
   (( segid "    " and resid 14   and name HA  ))
      6.000     4.500     0.000 peak  4118 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.182 ppm2      4.328 CV     1
 ASSI { 4120}
   (( segid "    " and resid 14   and name HG2 ))
   (  segid "    " and resid 54   and name HD1%)
      6.000     4.500     0.000 peak  4120 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.178 ppm2     -0.635 CV     1
 OR { 4120}
   (( segid "    " and resid 14   and name HG2 ))
   (  segid "    " and resid 54   and name HD2%)
 ASSI { 4125}
   (( segid "    " and resid 74   and name HB1 ))
   (( segid "    " and resid 74   and name HB2 ))
      6.000     4.500     0.000 peak  4125 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.922 ppm2      2.249 CV     1
 ASSI { 4126}
   (( segid "    " and resid 22   and name HG  ))
   (  segid "    " and resid 18   and name HG1%)
      6.000     4.500     0.000 peak  4126 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.916 ppm2      0.244 CV     1
 ASSI { 4131}
   (( segid "    " and resid 80   and name HB2 ))
   (( segid "    " and resid 77   and name HA  ))
      6.000     4.500     0.000 peak  4131 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.798 ppm2      3.742 CV     1
 ASSI { 4132}
   (( segid "    " and resid 133  and name HG1 ))
   (( segid "    " and resid 133  and name HD1 ))
      6.000     4.500     0.000 peak  4132 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.800 ppm2      3.432 CV     1
 OR { 4132}
   (( segid "    " and resid 133  and name HG2 ))
   (( segid "    " and resid 133  and name HD1 ))
 ASSI { 4136}
   (( segid "    " and resid 133  and name HG1 ))
   (( segid "    " and resid 143  and name HG  ))
      6.000     4.500     0.000 peak  4136 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.804 ppm2      0.980 CV     1
 OR { 4136}
   (( segid "    " and resid 133  and name HG2 ))
   (( segid "    " and resid 143  and name HG  ))
 ASSI { 4137}
   (( segid "    " and resid 80   and name HB2 ))
   (  segid "    " and resid 76   and name HG2%)
      6.000     4.500     0.000 peak  4137 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.797 ppm2      0.832 CV     1
 ASSI { 4140}
   (( segid "    " and resid 133  and name HG1 ))
   (( segid "    " and resid 133  and name HB1 ))
      6.000     4.500     0.000 peak  4140 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.793 ppm2      1.490 CV     1
 OR { 4140}
   (( segid "    " and resid 133  and name HG2 ))
   (( segid "    " and resid 133  and name HB1 ))
 ASSI { 4141}
   (( segid "    " and resid 150  and name HG1 ))
   (( segid "    " and resid 150  and name HD1 ))
      6.000     4.500     0.000 peak  4141 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.514 ppm2      2.964 CV     1
 ASSI { 4161}
   (  segid "    " and resid 60   and name HD1%)
   (( segid "    " and resid 60   and name HB1 ))
      6.000     4.500     0.000 peak  4161 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.742 ppm2      1.847 CV     1
 ASSI { 4162}
   (  segid "    " and resid 60   and name HD1%)
   (( segid "    " and resid 60   and name HG  ))
      6.000     4.500     0.000 peak  4162 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.744 ppm2      1.292 CV     1
 ASSI { 4163}
   (  segid "    " and resid 60   and name HD1%)
   (  segid "    " and resid 69   and name HD1%)
      6.000     4.500     0.000 peak  4163 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.742 ppm2      1.006 CV     1
 ASSI { 4169}
   (( segid "    " and resid 119  and name HG1 ))
   (( segid "    " and resid 119  and name HA  ))
      6.000     4.500     0.000 peak  4169 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.539 ppm2      3.808 CV     1
 ASSI { 4171}
   (( segid "    " and resid 119  and name HG1 ))
   (( segid "    " and resid 119  and name HG2 ))
      6.000     4.500     0.000 peak  4171 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.534 ppm2      1.292 CV     1
 ASSI { 4172}
   (( segid "    " and resid 126  and name HB1 ))
   (( segid "    " and resid 155  and name HB2 ))
      6.000     4.500     0.000 peak  4172 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.116 ppm2      1.446 CV     1
 OR { 4172}
   (( segid "    " and resid 126  and name HB1 ))
   (( segid "    " and resid 155  and name HB1 ))
 ASSI { 4173}
   (( segid "    " and resid 30   and name HB1 ))
   (( segid "    " and resid 64   and name HB1 ))
      6.000     4.500     0.000 peak  4173 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.424 ppm2      1.506 CV     1
 ASSI { 4177}
   (( segid "    " and resid 30   and name HB1 ))
   (( segid "    " and resid 30   and name HB2 ))
      6.000     4.500     0.000 peak  4177 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.415 ppm2      2.011 CV     1
 ASSI { 4178}
   (( segid "    " and resid 30   and name HB1 ))
   (( segid "    " and resid 64   and name HG  ))
      6.000     4.500     0.000 peak  4178 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.416 ppm2      0.762 CV     1
 ASSI { 4181}
   (( segid "    " and resid 17   and name HB2 ))
   (  segid "    " and resid 18   and name HG2%)
      6.000     4.500     0.000 peak  4181 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.154 ppm2      0.652 CV     1
 OR { 4181}
   (( segid "    " and resid 17   and name HB1 ))
   (  segid "    " and resid 18   and name HG2%)
 ASSI { 4184}
   (( segid "    " and resid 29   and name HG2 ))
   (( segid "    " and resid 72   and name HB1 ))
      6.000     4.500     0.000 peak  4184 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.065 ppm2      3.484 CV     1
 ASSI { 4185}
   (( segid "    " and resid 25   and name HG  ))
   (  segid "    " and resid 25   and name HD1%)
      6.000     4.500     0.000 peak  4185 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.982 ppm2      0.831 CV     1
 OR { 4185}
   (( segid "    " and resid 25   and name HG  ))
   (  segid "    " and resid 25   and name HD2%)
 ASSI { 4186}
   (( segid "    " and resid 22   and name HG  ))
   (  segid "    " and resid 22   and name HD1%)
      6.000     4.500     0.000 peak  4186 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.906 ppm2      1.139 CV     1
 ASSI { 4188}
   (( segid "    " and resid 150  and name HG1 ))
   (( segid "    " and resid 150  and name HA  ))
      6.000     4.500     0.000 peak  4188 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.513 ppm2      4.030 CV     1
 ASSI { 4189}
   (( segid "    " and resid 150  and name HG1 ))
   (( segid "    " and resid 150  and name HD2 ))
      6.000     4.500     0.000 peak  4189 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.514 ppm2      3.115 CV     1
 ASSI { 4196}
   (( segid "    " and resid 150  and name HG2 ))
   (( segid "    " and resid 150  and name HB2 ))
      6.000     4.500     0.000 peak  4196 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.451 ppm2      1.270 CV     1
 ASSI { 4198}
   (( segid "    " and resid 150  and name HG2 ))
   (( segid "    " and resid 150  and name HB1 ))
      6.000     4.500     0.000 peak  4198 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.435 ppm2      0.933 CV     1
 ASSI { 4200}
   (( segid "    " and resid 82   and name HG2 ))
   (( segid "    " and resid 82   and name HG1 ))
      6.000     4.500     0.000 peak  4200 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.420 ppm2      1.788 CV     1
 ASSI { 4208}
   (( segid "    " and resid 119  and name HG2 ))
   (  segid "    " and resid 146  and name HG2%)
      6.000     4.500     0.000 peak  4208 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.301 ppm2      0.736 CV     1
 ASSI { 4231}
   (( segid "    " and resid 89   and name HB2 ))
   (( segid "    " and resid 47   and name HG1 ))
      6.000     4.500     0.000 peak  4231 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.578 ppm2      2.100 CV     1
 OR { 4231}
   (( segid "    " and resid 89   and name HB1 ))
   (( segid "    " and resid 47   and name HG1 ))
 ASSI { 4233}
   (( segid "    " and resid 25   and name HG  ))
   (( segid "    " and resid 23   and name HA  ))
      6.000     4.500     0.000 peak  4233 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.000 ppm2      4.042 CV     1
 ASSI { 4236}
   (( segid "    " and resid 75   and name HG1 ))
   (( segid "    " and resid 75   and name HA  ))
      6.000     4.500     0.000 peak  4236 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.708 ppm2      4.147 CV     1
 ASSI { 4238}
   (( segid "    " and resid 75   and name HG1 ))
   (( segid "    " and resid 75   and name HB2 ))
      6.000     4.500     0.000 peak  4238 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.701 ppm2      2.336 CV     1
 ASSI { 4239}
   (( segid "    " and resid 96   and name HG  ))
   (  segid "    " and resid 96   and name HD2%)
      6.000     4.500     0.000 peak  4239 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.630 ppm2      1.137 CV     1
 OR { 4239}
   (( segid "    " and resid 96   and name HG  ))
   (  segid "    " and resid 96   and name HD1%)
 ASSI { 4241}
   (( segid "    " and resid 75   and name HG2 ))
   (( segid "    " and resid 79   and name HG2 ))
      6.000     4.500     0.000 peak  4241 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.606 ppm2      2.591 CV     1
 ASSI { 4244}
   (( segid "    " and resid 75   and name HG2 ))
   (( segid "    " and resid 75   and name HD2 ))
      6.000     4.500     0.000 peak  4244 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.585 ppm2      3.171 CV     1
 ASSI { 4251}
   (( segid "    " and resid 15   and name HG  ))
   (( segid "    " and resid 15   and name HB2 ))
      6.000     4.500     0.000 peak  4251 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.521 ppm2      1.703 CV     1
 ASSI { 4252}
   (( segid "    " and resid 15   and name HG  ))
   (( segid "    " and resid 19   and name HB2 ))
      6.000     4.500     0.000 peak  4252 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.503 ppm2      2.860 CV     1
 ASSI { 4253}
   (( segid "    " and resid 15   and name HG  ))
   (( segid "    " and resid 16   and name HG1 ))
      6.000     4.500     0.000 peak  4253 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.502 ppm2      2.406 CV     1
 ASSI { 4254}
   (( segid "    " and resid 15   and name HG  ))
   (  segid "    " and resid 15   and name HD1%)
      6.000     4.500     0.000 peak  4254 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.507 ppm2      1.022 CV     1
 OR { 4254}
   (( segid "    " and resid 15   and name HG  ))
   (  segid "    " and resid 15   and name HD2%)
 ASSI { 4259}
   (( segid "    " and resid 82   and name HG2 ))
   (( segid "    " and resid 77   and name HB1 ))
      6.000     4.500     0.000 peak  4259 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.399 ppm2      2.567 CV     1
 ASSI { 4260}
   (( segid "    " and resid 92   and name HG1 ))
   (( segid "    " and resid 48   and name HB1 ))
      6.000     4.500     0.000 peak  4260 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.382 ppm2      2.043 CV     1
 ASSI { 4271}
   (  segid "    " and resid 96   and name HD1%)
   (( segid "    " and resid 7    and name HG12))
      6.000     4.500     0.000 peak  4271 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.148 ppm2      1.605 CV     1
 OR { 4271}
   (  segid "    " and resid 96   and name HD1%)
   (( segid "    " and resid 7    and name HG11))
 ASSI { 4272}
   (  segid "    " and resid 96   and name HD1%)
   (( segid "    " and resid 73   and name HA  ))
      6.000     4.500     0.000 peak  4272 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.141 ppm2      4.306 CV     1
 ASSI { 4273}
   (  segid "    " and resid 96   and name HD1%)
   (( segid "    " and resid 21   and name HA  ))
      6.000     4.500     0.000 peak  4273 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.138 ppm2      4.138 CV     1
 ASSI { 4274}
   (  segid "    " and resid 96   and name HD1%)
   (( segid "    " and resid 73   and name HB  ))
      6.000     4.500     0.000 peak  4274 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.143 ppm2      3.958 CV     1
 OR { 4274}
   (  segid "    " and resid 96   and name HD2%)
   (( segid "    " and resid 73   and name HB  ))
 ASSI { 4275}
   (  segid "    " and resid 96   and name HD2%)
   (( segid "    " and resid 96   and name HB1 ))
      6.000     4.500     0.000 peak  4275 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.142 ppm2      0.993 CV     1
 OR { 4275}
   (  segid "    " and resid 96   and name HD1%)
   (( segid "    " and resid 96   and name HB1 ))
 ASSI { 4277}
   (( segid "    " and resid 111  and name HG  ))
   (( segid "    " and resid 67   and name HB1 ))
      6.000     4.500     0.000 peak  4277 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.070 ppm2      1.891 CV     1
 OR { 4277}
   (( segid "    " and resid 111  and name HG  ))
   (( segid "    " and resid 67   and name HB2 ))
 ASSI { 4279}
   (( segid "    " and resid 111  and name HG  ))
   (  segid "    " and resid 111  and name HD2%)
      6.000     4.500     0.000 peak  4279 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.054 ppm2      0.363 CV     1
 ASSI { 4281}
   (  segid "    " and resid 69   and name HD1%)
   (( segid "    " and resid 69   and name HA  ))
      6.000     4.500     0.000 peak  4281 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.023 ppm2      4.193 CV     1
 ASSI { 4283}
   (  segid "    " and resid 69   and name HD1%)
   (( segid "    " and resid 69   and name HG  ))
      6.000     4.500     0.000 peak  4283 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.017 ppm2      1.616 CV     1
 ASSI { 4289}
   (( segid "    " and resid 147  and name HG  ))
   (( segid "    " and resid 125  and name HG  ))
      6.000     4.500     0.000 peak  4289 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.874 ppm2      0.310 CV     1
 ASSI { 4290}
   (( segid "    " and resid 147  and name HG  ))
   (  segid "    " and resid 147  and name HD1%)
      6.000     4.500     0.000 peak  4290 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.870 ppm2     -0.460 CV     1
 ASSI { 4296}
   (  segid "    " and resid 64   and name HD2%)
   (( segid "    " and resid 64   and name HB2 ))
      6.000     4.500     0.000 peak  4296 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.710 ppm2      1.745 CV     1
 OR { 4296}
   (  segid "    " and resid 64   and name HD1%)
   (( segid "    " and resid 64   and name HB2 ))
 ASSI { 4297}
   (  segid "    " and resid 64   and name HD1%)
   (( segid "    " and resid 64   and name HB1 ))
      6.000     4.500     0.000 peak  4297 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.708 ppm2      1.494 CV     1
 OR { 4297}
   (  segid "    " and resid 64   and name HD2%)
   (( segid "    " and resid 64   and name HB1 ))
 ASSI { 4298}
   (  segid "    " and resid 64   and name HD1%)
   (  segid "    " and resid 69   and name HD2%)
      6.000     4.500     0.000 peak  4298 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.704 ppm2      0.955 CV     1
 OR { 4298}
   (  segid "    " and resid 64   and name HD2%)
   (  segid "    " and resid 69   and name HD2%)
 ASSI { 4302}
   (  segid "    " and resid 125  and name HD2%)
   (( segid "    " and resid 124  and name HB1 ))
      6.000     4.500     0.000 peak  4302 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.496 ppm2      2.165 CV     1
 OR { 4302}
   (  segid "    " and resid 125  and name HD2%)
   (( segid "    " and resid 124  and name HB2 ))
 OR { 4302}
   (  segid "    " and resid 125  and name HD1%)
   (( segid "    " and resid 124  and name HB2 ))
 OR { 4302}
   (  segid "    " and resid 125  and name HD1%)
   (( segid "    " and resid 124  and name HB1 ))
 ASSI { 4303}
   (  segid "    " and resid 70   and name HD1%)
   (( segid "    " and resid 98   and name HG12))
      6.000     4.500     0.000 peak  4303 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.496 ppm2      1.865 CV     1
 ASSI { 4313}
   (( segid "    " and resid 125  and name HG  ))
   (  segid "    " and resid 146  and name HG2%)
      6.000     4.500     0.000 peak  4313 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.326 ppm2      0.749 CV     1
 ASSI { 4314}
   (( segid "    " and resid 125  and name HG  ))
   (  segid "    " and resid 125  and name HD1%)
      6.000     4.500     0.000 peak  4314 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.326 ppm2      0.475 CV     1
 OR { 4314}
   (( segid "    " and resid 125  and name HG  ))
   (  segid "    " and resid 125  and name HD2%)
 ASSI { 4318}
   (( segid "    " and resid 125  and name HG  ))
   (  segid "    " and resid 147  and name HD2%)
      6.000     4.500     0.000 peak  4318 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.325 ppm2     -0.572 CV     1
 ASSI { 4322}
   (( segid "    " and resid 114  and name HG2 ))
   (( segid "    " and resid 138  and name HD1 ))
      6.000     4.500     0.000 peak  4322 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.476 ppm2      4.028 CV     1
 OR { 4322}
   (( segid "    " and resid 114  and name HG2 ))
   (( segid "    " and resid 138  and name HD2 ))
 ASSI { 4326}
   (( segid "    " and resid 114  and name HG2 ))
   (( segid "    " and resid 114  and name HG1 ))
      6.000     4.500     0.000 peak  4326 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.478 ppm2      1.995 CV     1
 ASSI { 4329}
   (( segid "    " and resid 114  and name HG1 ))
   (( segid "    " and resid 114  and name HB2 ))
      6.000     4.500     0.000 peak  4329 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.999 ppm2      2.860 CV     1
 ASSI { 4330}
   (( segid "    " and resid 114  and name HG1 ))
   (  segid "    " and resid 100  and name HD1%)
      6.000     4.500     0.000 peak  4330 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.992 ppm2      1.062 CV     1
 ASSI { 4331}
   (( segid "    " and resid 66   and name HG1 ))
   (( segid "    " and resid 66   and name HB2 ))
      6.000     4.500     0.000 peak  4331 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.746 ppm2      1.276 CV     1
 ASSI { 4335}
   (( segid "    " and resid 66   and name HG1 ))
   (( segid "    " and resid 66   and name HG2 ))
      6.000     4.500     0.000 peak  4335 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.742 ppm2      0.787 CV     1
 ASSI { 4351}
   (  segid "    " and resid 22   and name HD1%)
   (  segid "    " and resid 36   and name HG2%)
      6.000     4.500     0.000 peak  4351 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.138 ppm2      1.394 CV     1
 ASSI { 4362}
   (( segid "    " and resid 147  and name HG  ))
   (  segid "    " and resid 147  and name HD2%)
      6.000     4.500     0.000 peak  4362 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.874 ppm2     -0.563 CV     1
 ASSI { 4381}
   (  segid "    " and resid 128  and name HD1%)
   (( segid "    " and resid 100  and name HB1 ))
      6.000     4.500     0.000 peak  4381 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.590 ppm2      1.998 CV     1
 OR { 4381}
   (  segid "    " and resid 128  and name HD2%)
   (( segid "    " and resid 100  and name HB1 ))
 ASSI { 4382}
   (  segid "    " and resid 128  and name HD1%)
   (( segid "    " and resid 100  and name HB2 ))
      6.000     4.500     0.000 peak  4382 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.589 ppm2      1.812 CV     1
 OR { 4382}
   (  segid "    " and resid 128  and name HD2%)
   (( segid "    " and resid 100  and name HB2 ))
 ASSI { 4384}
   (  segid "    " and resid 128  and name HD2%)
   (( segid "    " and resid 143  and name HG  ))
      6.000     4.500     0.000 peak  4384 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.589 ppm2      0.967 CV     1
 OR { 4384}
   (  segid "    " and resid 128  and name HD1%)
   (( segid "    " and resid 143  and name HG  ))
 ASSI { 4385}
   (  segid "    " and resid 128  and name HD1%)
   (  segid "    " and resid 131  and name HG2%)
      6.000     4.500     0.000 peak  4385 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.589 ppm2      0.841 CV     1
 OR { 4385}
   (  segid "    " and resid 128  and name HD2%)
   (  segid "    " and resid 131  and name HG2%)
 ASSI { 4387}
   (  segid "    " and resid 128  and name HD2%)
   (( segid "    " and resid 128  and name HG  ))
      6.000     4.500     0.000 peak  4387 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.591 ppm2      0.322 CV     1
 OR { 4387}
   (  segid "    " and resid 128  and name HD1%)
   (( segid "    " and resid 128  and name HG  ))
 ASSI { 4388}
   (  segid "    " and resid 128  and name HD2%)
   (  segid "    " and resid 135  and name HD1%)
      6.000     4.500     0.000 peak  4388 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.591 ppm2      0.115 CV     1
 OR { 4388}
   (  segid "    " and resid 128  and name HD1%)
   (  segid "    " and resid 135  and name HD1%)
 ASSI { 4392}
   (  segid "    " and resid 155  and name HD1%)
   (( segid "    " and resid 126  and name HB1 ))
      6.000     4.500     0.000 peak  4392 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.501 ppm2      3.113 CV     1
 ASSI { 4395}
   (  segid "    " and resid 155  and name HD1%)
   (( segid "    " and resid 155  and name HB1 ))
      6.000     4.500     0.000 peak  4395 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.501 ppm2      1.424 CV     1
 OR { 4395}
   (  segid "    " and resid 155  and name HD1%)
   (( segid "    " and resid 155  and name HB2 ))
 OR { 4395}
   (  segid "    " and resid 155  and name HD2%)
   (( segid "    " and resid 155  and name HB1 ))
 OR { 4395}
   (  segid "    " and resid 155  and name HD2%)
   (( segid "    " and resid 155  and name HB2 ))
 ASSI { 4407}
   (( segid "    " and resid 157  and name HG1 ))
   (( segid "    " and resid 157  and name HE2 ))
      6.000     4.500     0.000 peak  4407 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.303 ppm2      2.983 CV     1
 OR { 4407}
   (( segid "    " and resid 157  and name HG1 ))
   (( segid "    " and resid 157  and name HE1 ))
 ASSI { 4409}
   (( segid "    " and resid 157  and name HG1 ))
   (( segid "    " and resid 157  and name HG2 ))
      6.000     4.500     0.000 peak  4409 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.297 ppm2      1.644 CV     1
 ASSI { 4422}
   (  segid "    " and resid 135  and name HD2%)
   (( segid "    " and resid 135  and name HA  ))
      6.000     4.500     0.000 peak  4422 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.379 ppm2      3.851 CV     1
 ASSI { 4423}
   (  segid "    " and resid 135  and name HD2%)
   (( segid "    " and resid 135  and name HG  ))
      6.000     4.500     0.000 peak  4423 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.380 ppm2      1.274 CV     1
 ASSI { 4426}
   (  segid "    " and resid 135  and name HD2%)
   (  segid "    " and resid 135  and name HD1%)
      6.000     4.500     0.000 peak  4426 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.380 ppm2      0.116 CV     1
 ASSI { 4427}
   (  segid "    " and resid 111  and name HD1%)
   (( segid "    " and resid 111  and name HA  ))
      6.000     4.500     0.000 peak  4427 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.327 ppm2      3.914 CV     1
 ASSI { 4428}
   (  segid "    " and resid 111  and name HD1%)
   (( segid "    " and resid 98   and name HB  ))
      6.000     4.500     0.000 peak  4428 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.326 ppm2      2.139 CV     1
 ASSI { 4431}
   (  segid "    " and resid 111  and name HD1%)
   (  segid "    " and resid 106  and name HD1%)
      6.000     6.000     0.000 peak  4431 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.329 ppm2      0.631 CV     1
 ASSI { 4441}
   (  segid "    " and resid 135  and name HD1%)
   (  segid "    " and resid 100  and name HD2%)
      6.000     4.500     0.000 peak  4441 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.112 ppm2      0.666 CV     1
 ASSI { 4458}
   (( segid "    " and resid 131  and name HG11))
   (  segid "    " and resid 131  and name HD1%)
      6.000     4.500     0.000 peak  4458 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.658 ppm2      0.866 CV     1
 OR { 4458}
   (( segid "    " and resid 131  and name HG12))
   (  segid "    " and resid 131  and name HD1%)
 OR { 4458}
   (( segid "    " and resid 131  and name HG12))
   (  segid "    " and resid 131  and name HG2%)
 ASSI { 4459}
   (( segid "    " and resid 131  and name HG12))
   (( segid "    " and resid 128  and name HG  ))
      6.000     4.500     0.000 peak  4459 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.662 ppm2      0.303 CV     1
 OR { 4459}
   (( segid "    " and resid 131  and name HG11))
   (( segid "    " and resid 128  and name HG  ))
 ASSI { 4460}
   (( segid "    " and resid 131  and name HG12))
   (( segid "    " and resid 128  and name HA  ))
      6.000     4.500     0.000 peak  4460 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.646 ppm2      3.866 CV     1
 OR { 4460}
   (( segid "    " and resid 131  and name HG11))
   (( segid "    " and resid 128  and name HA  ))
 ASSI { 4461}
   (( segid "    " and resid 23   and name HG1 ))
   (( segid "    " and resid 20   and name HA  ))
      6.000     4.500     0.000 peak  4461 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.564 ppm2      4.164 CV     1
 ASSI { 4464}
   (( segid "    " and resid 23   and name HG1 ))
   (( segid "    " and resid 23   and name HG2 ))
      6.000     4.500     0.000 peak  4464 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.566 ppm2      1.457 CV     1
 OR { 4464}
   (( segid "    " and resid 23   and name HG1 ))
   (( segid "    " and resid 23   and name HD2 ))
 ASSI { 4480}
   (( segid "    " and resid 121  and name HG1 ))
   (  segid "    " and resid 45   and name HD1%)
      6.000     6.000     0.000 peak  4480 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.354 ppm2      0.846 CV     1
 ASSI { 4487}
   (( segid "    " and resid 154  and name HG2 ))
   (( segid "    " and resid 154  and name HG1 ))
      6.000     4.500     0.000 peak  4487 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.195 ppm2      0.738 CV     1
 ASSI { 4493}
   (( segid "    " and resid 143  and name HG  ))
   (( segid "    " and resid 125  and name HA  ))
      6.000     4.500     0.000 peak  4493 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.967 ppm2      3.835 CV     1
 ASSI { 4494}
   (( segid "    " and resid 143  and name HG  ))
   (( segid "    " and resid 129  and name HB1 ))
      6.000     4.500     0.000 peak  4494 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.968 ppm2      2.903 CV     1
 ASSI { 4495}
   (( segid "    " and resid 143  and name HG  ))
   (( segid "    " and resid 133  and name HB1 ))
      6.000     4.500     0.000 peak  4495 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.966 ppm2      1.526 CV     1
 ASSI { 4496}
   (( segid "    " and resid 143  and name HG  ))
   (( segid "    " and resid 143  and name HB1 ))
      6.000     4.500     0.000 peak  4496 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.968 ppm2      1.345 CV     1
 ASSI { 4500}
   (( segid "    " and resid 143  and name HG  ))
   (  segid "    " and resid 147  and name HD1%)
      6.000     4.500     0.000 peak  4500 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.966 ppm2     -0.459 CV     1
 ASSI { 4517}
   (  segid "    " and resid 54   and name HD1%)
   (( segid "    " and resid 39   and name HB2 ))
      6.000     4.500     0.000 peak  4517 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1     -0.632 ppm2      3.406 CV     1
 ASSI { 4521}
   (  segid "    " and resid 54   and name HD1%)
   (( segid "    " and resid 41   and name HB2 ))
      6.000     4.500     0.000 peak  4521 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1     -0.634 ppm2      1.717 CV     1
 OR { 4521}
   (  segid "    " and resid 54   and name HD1%)
   (( segid "    " and resid 41   and name HB1 ))
 ASSI { 4527}
   (  segid "    " and resid 54   and name HD2%)
   (  segid "    " and resid 18   and name HG2%)
      6.000     4.500     0.000 peak  4527 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1     -0.632 ppm2      0.638 CV     1
 ASSI { 4542}
   (( segid "    " and resid 131  and name HG11))
   (( segid "    " and resid 100  and name HB1 ))
      6.000     4.500     0.000 peak  4542 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.644 ppm2      2.000 CV     1
 OR { 4542}
   (( segid "    " and resid 131  and name HG12))
   (( segid "    " and resid 100  and name HB1 ))
 ASSI { 4547}
   (( segid "    " and resid 23   and name HG2 ))
   (( segid "    " and resid 20   and name HA  ))
      6.000     4.500     0.000 peak  4547 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.455 ppm2      4.169 CV     1
 ASSI { 4548}
   (( segid "    " and resid 23   and name HG2 ))
   (( segid "    " and resid 23   and name HA  ))
      6.000     4.500     0.000 peak  4548 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.454 ppm2      4.005 CV     1
 ASSI { 4550}
   (( segid "    " and resid 23   and name HG2 ))
   (( segid "    " and resid 23   and name HD1 ))
      6.000     4.500     0.000 peak  4550 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.445 ppm2      1.702 CV     1
 ASSI { 4551}
   (( segid "    " and resid 23   and name HG2 ))
   (( segid "    " and resid 23   and name HG1 ))
      6.000     4.500     0.000 peak  4551 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.454 ppm2      1.558 CV     1
 ASSI { 4552}
   (( segid "    " and resid 85   and name HG1 ))
   (( segid "    " and resid 85   and name HE2 ))
      6.000     4.500     0.000 peak  4552 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.437 ppm2      2.998 CV     1
 OR { 4552}
   (( segid "    " and resid 85   and name HG1 ))
   (( segid "    " and resid 85   and name HE1 ))
 OR { 4552}
   (( segid "    " and resid 85   and name HG2 ))
   (( segid "    " and resid 85   and name HE2 ))
 OR { 4552}
   (( segid "    " and resid 85   and name HG2 ))
   (( segid "    " and resid 85   and name HE1 ))
 ASSI { 4564}
   (  segid "    " and resid 100  and name HD1%)
   (( segid "    " and resid 118  and name HG1 ))
      6.000     4.500     0.000 peak  4564 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.082 ppm2      3.344 CV     1
 OR { 4564}
   (  segid "    " and resid 100  and name HD1%)
   (( segid "    " and resid 118  and name HG2 ))
 ASSI { 4570}
   (  segid "    " and resid 100  and name HD1%)
   (( segid "    " and resid 114  and name HB2 ))
      6.000     4.500     0.000 peak  4570 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.075 ppm2      2.870 CV     1
 ASSI { 4572}
   (  segid "    " and resid 100  and name HD1%)
   (( segid "    " and resid 114  and name HG2 ))
      6.000     4.500     0.000 peak  4572 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.076 ppm2      2.472 CV     1
 ASSI { 4573}
   (  segid "    " and resid 100  and name HD1%)
   (( segid "    " and resid 99   and name HB2 ))
      6.000     4.500     0.000 peak  4573 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.079 ppm2      2.276 CV     1
 ASSI { 4576}
   (  segid "    " and resid 100  and name HD1%)
   (( segid "    " and resid 100  and name HG  ))
      6.000     4.500     0.000 peak  4576 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.076 ppm2      1.613 CV     1
 ASSI { 4578}
   (  segid "    " and resid 100  and name HD1%)
   (( segid "    " and resid 128  and name HB1 ))
      6.000     4.500     0.000 peak  4578 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.075 ppm2      1.222 CV     1
 ASSI { 4580}
   (  segid "    " and resid 100  and name HD1%)
   (  segid "    " and resid 100  and name HD2%)
      6.000     4.500     0.000 peak  4580 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.076 ppm2      0.668 CV     1
 ASSI { 4582}
   (  segid "    " and resid 100  and name HD1%)
   (  segid "    " and resid 135  and name HD2%)
      6.000     4.500     0.000 peak  4582 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.075 ppm2      0.368 CV     1
 ASSI { 4583}
   (  segid "    " and resid 100  and name HD1%)
   (  segid "    " and resid 135  and name HD1%)
      6.000     4.500     0.000 peak  4583 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.075 ppm2      0.119 CV     1
 ASSI { 4593}
   (( segid "    " and resid 121  and name HG2 ))
   (( segid "    " and resid 121  and name HB1 ))
      6.000     4.500     0.000 peak  4593 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.733 ppm2     -0.637 CV     1
 ASSI { 4594}
   (  segid "    " and resid 147  and name HD1%)
   (( segid "    " and resid 147  and name HA  ))
      6.000     4.500     0.000 peak  4594 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1     -0.454 ppm2      3.663 CV     1
 ASSI { 4595}
   (  segid "    " and resid 147  and name HD1%)
   (  segid "    " and resid 125  and name HD1%)
      6.000     4.500     0.000 peak  4595 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1     -0.454 ppm2      0.473 CV     1
 ASSI { 4602}
   (  segid "    " and resid 147  and name HD1%)
   (  segid "    " and resid 151  and name HB% )
      6.000     4.500     0.000 peak  4602 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1     -0.462 ppm2      1.232 CV     1
 ASSI { 4604}
   (  segid "    " and resid 147  and name HD1%)
   (( segid "    " and resid 125  and name HB1 ))
      6.000     4.500     0.000 peak  4604 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1     -0.461 ppm2      0.961 CV     1
 ASSI { 4605}
   (  segid "    " and resid 147  and name HD1%)
   (( segid "    " and resid 147  and name HB1 ))
      6.000     4.500     0.000 peak  4605 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1     -0.459 ppm2      0.651 CV     1
 ASSI { 4606}
   (  segid "    " and resid 25   and name HD2%)
   (( segid "    " and resid 25   and name HA  ))
      6.000     4.500     0.000 peak  4606 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.850 ppm2      3.903 CV     1
 OR { 4606}
   (  segid "    " and resid 25   and name HD1%)
   (( segid "    " and resid 25   and name HA  ))
 ASSI { 4615}
   (  segid "    " and resid 22   and name HD2%)
   (( segid "    " and resid 18   and name HA  ))
      6.000     4.500     0.000 peak  4615 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.905 ppm2      3.422 CV     1
 ASSI { 4619}
   (  segid "    " and resid 22   and name HD2%)
   (( segid "    " and resid 22   and name HB1 ))
      6.000     4.500     0.000 peak  4619 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.902 ppm2      1.487 CV     1
 ASSI { 4621}
   (  segid "    " and resid 22   and name HD2%)
   (  segid "    " and resid 58   and name HG1%)
      6.000     4.500     0.000 peak  4621 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.899 ppm2      1.025 CV     1
 OR { 4621}
   (  segid "    " and resid 22   and name HD2%)
   (  segid "    " and resid 58   and name HG2%)
 ASSI { 4626}
   (  segid "    " and resid 25   and name HD1%)
   (( segid "    " and resid 22   and name HB2 ))
      6.000     4.500     0.000 peak  4626 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.863 ppm2      2.046 CV     1
 ASSI { 4633}
   (  segid "    " and resid 111  and name HD2%)
   (( segid "    " and resid 67   and name HA  ))
      6.000     4.500     0.000 peak  4633 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.383 ppm2      3.662 CV     1
 ASSI { 4634}
   (  segid "    " and resid 111  and name HD2%)
   (( segid "    " and resid 98   and name HB  ))
      6.000     4.500     0.000 peak  4634 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.381 ppm2      2.129 CV     1
 ASSI { 4636}
   (  segid "    " and resid 111  and name HD2%)
   (( segid "    " and resid 111  and name HB2 ))
      6.000     4.500     0.000 peak  4636 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.382 ppm2      1.336 CV     1
 ASSI { 4637}
   (  segid "    " and resid 111  and name HD2%)
   (( segid "    " and resid 70   and name HB1 ))
      6.000     4.500     0.000 peak  4637 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.382 ppm2      1.020 CV     1
 ASSI { 4644}
   (  segid "    " and resid 42   and name HG2%)
   (  segid "    " and resid 155  and name HD2%)
      6.000     4.500     0.000 peak  4644 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.448 ppm2      0.510 CV     1
 OR { 4644}
   (  segid "    " and resid 42   and name HG2%)
   (  segid "    " and resid 155  and name HD1%)
 ASSI { 4649}
   (  segid "    " and resid 56   and name HB% )
   (( segid "    " and resid 127  and name HB1 ))
      6.000     4.500     0.000 peak  4649 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.431 ppm2      1.921 CV     1
 ASSI { 4652}
   (  segid "    " and resid 56   and name HB% )
   (( segid "    " and resid 37   and name HB2 ))
      6.000     4.500     0.000 peak  4652 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.423 ppm2      4.105 CV     1
 ASSI { 4654}
   (  segid "    " and resid 56   and name HB% )
   (( segid "    " and resid 127  and name HG1 ))
      6.000     4.500     0.000 peak  4654 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.425 ppm2      1.573 CV     1
 ASSI { 4659}
   (  segid "    " and resid 56   and name HB% )
   (  segid "    " and resid 54   and name HD2%)
      6.000     4.500     0.000 peak  4659 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.419 ppm2     -0.626 CV     1
 OR { 4659}
   (  segid "    " and resid 56   and name HB% )
   (  segid "    " and resid 54   and name HD1%)
 ASSI { 4660}
   (  segid "    " and resid 93   and name HG2%)
   (( segid "    " and resid 82   and name HA  ))
      6.000     4.500     0.000 peak  4660 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.216 ppm2      4.371 CV     1
 ASSI { 4663}
   (  segid "    " and resid 93   and name HG2%)
   (( segid "    " and resid 17   and name HG1 ))
      6.000     4.500     0.000 peak  4663 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.219 ppm2      2.646 CV     1
 OR { 4663}
   (  segid "    " and resid 93   and name HG2%)
   (( segid "    " and resid 17   and name HG2 ))
 ASSI { 4664}
   (  segid "    " and resid 93   and name HG2%)
   (( segid "    " and resid 83   and name HB  ))
      6.000     4.500     0.000 peak  4664 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.221 ppm2      2.121 CV     1
 ASSI { 4665}
   (  segid "    " and resid 93   and name HG2%)
   (( segid "    " and resid 82   and name HB2 ))
      6.000     4.500     0.000 peak  4665 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.217 ppm2      1.582 CV     1
 OR { 4665}
   (  segid "    " and resid 93   and name HG2%)
   (( segid "    " and resid 82   and name HB1 ))
 ASSI { 4683}
   (  segid "    " and resid 111  and name HD2%)
   (( segid "    " and resid 67   and name HB1 ))
      6.000     4.500     0.000 peak  4683 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.381 ppm2      1.866 CV     1
 OR { 4683}
   (  segid "    " and resid 111  and name HD2%)
   (( segid "    " and resid 67   and name HB2 ))
 ASSI { 4684}
   (  segid "    " and resid 111  and name HD2%)
   (( segid "    " and resid 111  and name HB1 ))
      6.000     4.500     0.000 peak  4684 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.381 ppm2      0.893 CV     1
 ASSI { 4707}
   (  segid "    " and resid 18   and name HG2%)
   (( segid "    " and resid 17   and name HG2 ))
      6.000     4.500     0.000 peak  4707 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.639 ppm2      2.644 CV     1
 ASSI { 4712}
   (  segid "    " and resid 18   and name HG2%)
   (  segid "    " and resid 7    and name HG2%)
      6.000     4.500     0.000 peak  4712 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.639 ppm2      0.793 CV     1
 ASSI { 4715}
   (  segid "    " and resid 18   and name HG2%)
   (( segid "    " and resid 54   and name HB2 ))
      6.000     4.500     0.000 peak  4715 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.638 ppm2      0.382 CV     1
 ASSI { 4716}
   (  segid "    " and resid 18   and name HG2%)
   (  segid "    " and resid 18   and name HG1%)
      6.000     4.500     0.000 peak  4716 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.639 ppm2      0.238 CV     1
 ASSI { 4720}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 45   and name HA  ))
      6.000     4.500     0.000 peak  4720 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.054 ppm2      4.588 CV     1
 ASSI { 4721}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 45   and name HG  ))
      6.000     4.500     0.000 peak  4721 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.055 ppm2      1.341 CV     1
 ASSI { 4729}
   (  segid "    " and resid 69   and name HD2%)
   (( segid "    " and resid 62   and name HB  ))
      6.000     4.500     0.000 peak  4729 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.942 ppm2      3.830 CV     1
 ASSI { 4730}
   (  segid "    " and resid 69   and name HD2%)
   (( segid "    " and resid 72   and name HB2 ))
      6.000     6.000     0.000 peak  4730 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.940 ppm2      2.957 CV     1
 ASSI { 4731}
   (  segid "    " and resid 69   and name HD2%)
   (( segid "    " and resid 69   and name HB1 ))
      6.000     4.500     0.000 peak  4731 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.945 ppm2      2.214 CV     1
 ASSI { 4732}
   (  segid "    " and resid 69   and name HD2%)
   (( segid "    " and resid 69   and name HG  ))
      6.000     4.500     0.000 peak  4732 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.943 ppm2      1.625 CV     1
 ASSI { 4733}
   (  segid "    " and resid 69   and name HD2%)
   (( segid "    " and resid 69   and name HB2 ))
      6.000     4.500     0.000 peak  4733 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.946 ppm2      1.316 CV     1
 ASSI { 4743}
   (  segid "    " and resid 70   and name HD2%)
   (( segid "    " and resid 98   and name HB  ))
      6.000     4.500     0.000 peak  4743 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.726 ppm2      2.127 CV     1
 ASSI { 4751}
   (( segid "    " and resid 128  and name HG  ))
   (( segid "    " and resid 133  and name HB1 ))
      6.000     4.500     0.000 peak  4751 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.305 ppm2      1.493 CV     1
 ASSI { 4754}
   (( segid "    " and resid 128  and name HG  ))
   (  segid "    " and resid 131  and name HD1%)
      6.000     4.500     0.000 peak  4754 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.307 ppm2      0.880 CV     1
 ASSI { 4763}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 25   and name HB1 ))
      6.000     4.500     0.000 peak  4763 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.020 ppm2      2.111 CV     1
 OR { 4763}
   (  segid "    " and resid 58   and name HG1%)
   (( segid "    " and resid 25   and name HB1 ))
 ASSI { 4765}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 5    and name HB  ))
      6.000     4.500     0.000 peak  4765 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.017 ppm2      1.787 CV     1
 OR { 4765}
   (  segid "    " and resid 58   and name HG1%)
   (( segid "    " and resid 5    and name HB  ))
 ASSI { 4768}
   (  segid "    " and resid 58   and name HG1%)
   (( segid "    " and resid 22   and name HB1 ))
      6.000     4.500     0.000 peak  4768 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.011 ppm2      1.488 CV     1
 OR { 4768}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 22   and name HB1 ))
 ASSI { 4769}
   (  segid "    " and resid 58   and name HG1%)
   (  segid "    " and resid 36   and name HG2%)
      6.000     4.500     0.000 peak  4769 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.012 ppm2      1.373 CV     1
 OR { 4769}
   (  segid "    " and resid 58   and name HG2%)
   (  segid "    " and resid 36   and name HG2%)
 ASSI { 4770}
   (  segid "    " and resid 58   and name HG2%)
   (  segid "    " and resid 59   and name HB% )
      6.000     4.500     0.000 peak  4770 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.008 ppm2      1.278 CV     1
 OR { 4770}
   (  segid "    " and resid 58   and name HG1%)
   (  segid "    " and resid 59   and name HB% )
 ASSI { 4773}
   (  segid "    " and resid 58   and name HG1%)
   (  segid "    " and resid 7    and name HD1%)
      6.000     4.500     0.000 peak  4773 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.010 ppm2      0.671 CV     1
 OR { 4773}
   (  segid "    " and resid 58   and name HG2%)
   (  segid "    " and resid 7    and name HD1%)
 ASSI { 4776}
   (  segid "    " and resid 94   and name HD2%)
   (( segid "    " and resid 77   and name HB1 ))
      6.000     4.500     0.000 peak  4776 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.875 ppm2      2.612 CV     1
 OR { 4776}
   (  segid "    " and resid 94   and name HD1%)
   (( segid "    " and resid 77   and name HB1 ))
 ASSI { 4779}
   (  segid "    " and resid 94   and name HD1%)
   (( segid "    " and resid 18   and name HA  ))
      6.000     4.500     0.000 peak  4779 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.865 ppm2      3.432 CV     1
 ASSI { 4780}
   (  segid "    " and resid 94   and name HD1%)
   (( segid "    " and resid 9    and name HB2 ))
      6.000     4.500     0.000 peak  4780 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.864 ppm2      3.105 CV     1
 ASSI { 4782}
   (  segid "    " and resid 70   and name HD2%)
   (( segid "    " and resid 74   and name HG1 ))
      6.000     4.500     0.000 peak  4782 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.729 ppm2      2.435 CV     1
 ASSI { 4784}
   (  segid "    " and resid 70   and name HD2%)
   (( segid "    " and resid 70   and name HB2 ))
      6.000     4.500     0.000 peak  4784 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.721 ppm2      1.876 CV     1
 ASSI { 4786}
   (  segid "    " and resid 70   and name HD2%)
   (( segid "    " and resid 98   and name HG11))
      6.000     4.500     0.000 peak  4786 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.723 ppm2      0.992 CV     1
 ASSI { 4787}
   (  segid "    " and resid 70   and name HD2%)
   (  segid "    " and resid 70   and name HD1%)
      6.000     4.500     0.000 peak  4787 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.721 ppm2      0.486 CV     1
 ASSI { 4788}
   (( segid "    " and resid 128  and name HG  ))
   (( segid "    " and resid 100  and name HB2 ))
      6.000     4.500     0.000 peak  4788 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.305 ppm2      1.810 CV     1
 ASSI { 4792}
   (  segid "    " and resid 113  and name HG2%)
   (( segid "    " and resid 101  and name HB1 ))
      6.000     4.500     0.000 peak  4792 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.889 ppm2      2.328 CV     1
 ASSI { 4793}
   (  segid "    " and resid 76   and name HD1%)
   (( segid "    " and resid 76   and name HG12))
      6.000     4.500     0.000 peak  4793 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.888 ppm2      2.107 CV     1
 OR { 4793}
   (  segid "    " and resid 76   and name HD1%)
   (( segid "    " and resid 76   and name HG11))
 ASSI { 4797}
   (  segid "    " and resid 113  and name HG2%)
   (( segid "    " and resid 101  and name HB2 ))
      6.000     4.500     0.000 peak  4797 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.880 ppm2      3.348 CV     1
 ASSI { 4798}
   (  segid "    " and resid 94   and name HD1%)
   (( segid "    " and resid 94   and name HB2 ))
      6.000     4.500     0.000 peak  4798 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.860 ppm2      1.543 CV     1
 OR { 4798}
   (  segid "    " and resid 94   and name HD2%)
   (( segid "    " and resid 94   and name HB1 ))
 OR { 4798}
   (  segid "    " and resid 94   and name HD2%)
   (( segid "    " and resid 94   and name HB2 ))
 OR { 4798}
   (  segid "    " and resid 94   and name HD1%)
   (( segid "    " and resid 94   and name HB1 ))
 ASSI { 4809}
   (  segid "    " and resid 57   and name HB% )
   (( segid "    " and resid 128  and name HA  ))
      6.000     4.500     0.000 peak  4809 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.363 ppm2      3.847 CV     1
 ASSI { 4819}
   (  segid "    " and resid 57   and name HB% )
   (  segid "    " and resid 131  and name HD1%)
      6.000     4.500     0.000 peak  4819 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.362 ppm2      0.876 CV     1
 OR { 4819}
   (  segid "    " and resid 57   and name HB% )
   (  segid "    " and resid 131  and name HG2%)
 ASSI { 4821}
   (  segid "    " and resid 57   and name HB% )
   (  segid "    " and resid 128  and name HD1%)
      6.000     4.500     0.000 peak  4821 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.362 ppm2      0.594 CV     1
 OR { 4821}
   (  segid "    " and resid 57   and name HB% )
   (  segid "    " and resid 128  and name HD2%)
 ASSI { 4822}
   (  segid "    " and resid 57   and name HB% )
   (( segid "    " and resid 128  and name HG  ))
      6.000     4.500     0.000 peak  4822 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.363 ppm2      0.305 CV     1
 ASSI { 4830}
   (  segid "    " and resid 36   and name HG1%)
   (( segid "    " and resid 22   and name HB1 ))
      6.000     4.500     0.000 peak  4830 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.115 ppm2      1.484 CV     1
 ASSI { 4836}
   (( segid "    " and resid 64   and name HG  ))
   (( segid "    " and resid 30   and name HB2 ))
      6.000     4.500     0.000 peak  4836 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.769 ppm2      2.015 CV     1
 ASSI { 4837}
   (  segid "    " and resid 2    and name HG2%)
   (( segid "    " and resid 61   and name HG1 ))
      6.000     4.500     0.000 peak  4837 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.771 ppm2      1.967 CV     1
 ASSI { 4839}
   (  segid "    " and resid 2    and name HG2%)
   (  segid "    " and resid 2    and name HG1%)
      6.000     4.500     0.000 peak  4839 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.775 ppm2      0.128 CV     1
 ASSI { 4858}
   (( segid "    " and resid 54   and name HG  ))
   (( segid "    " and resid 158  and name HB2 ))
      6.000     4.500     0.000 peak  4858 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.236 ppm2      3.070 CV     1
 ASSI { 4862}
   (( segid "    " and resid 54   and name HG  ))
   (  segid "    " and resid 56   and name HB% )
      6.000     4.500     0.000 peak  4862 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.239 ppm2      1.407 CV     1
 ASSI { 4863}
   (( segid "    " and resid 54   and name HG  ))
   (( segid "    " and resid 54   and name HB1 ))
      6.000     4.500     0.000 peak  4863 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.237 ppm2      0.968 CV     1
 ASSI { 4865}
   (( segid "    " and resid 54   and name HG  ))
   (  segid "    " and resid 18   and name HG2%)
      6.000     4.500     0.000 peak  4865 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.238 ppm2      0.635 CV     1
 ASSI { 4867}
   (( segid "    " and resid 54   and name HG  ))
   (  segid "    " and resid 54   and name HD2%)
      6.000     4.500     0.000 peak  4867 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.239 ppm2     -0.634 CV     1
 OR { 4867}
   (( segid "    " and resid 54   and name HG  ))
   (  segid "    " and resid 54   and name HD1%)
 ASSI { 4875}
   (  segid "    " and resid 147  and name HD2%)
   (  segid "    " and resid 125  and name HD1%)
      6.000     4.500     0.000 peak  4875 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1     -0.569 ppm2      0.482 CV     1
 ASSI { 4883}
   (  segid "    " and resid 59   and name HB% )
   (( segid "    " and resid 131  and name HG11))
      6.000     4.500     0.000 peak  4883 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.264 ppm2      1.641 CV     1
 OR { 4883}
   (  segid "    " and resid 59   and name HB% )
   (( segid "    " and resid 131  and name HG12))
 ASSI { 4884}
   (  segid "    " and resid 59   and name HB% )
   (( segid "    " and resid 34   and name HB1 ))
      6.000     4.500     0.000 peak  4884 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.255 ppm2      1.705 CV     1
 ASSI { 4885}
   (  segid "    " and resid 59   and name HB% )
   (  segid "    " and resid 2    and name HG1%)
      6.000     4.500     0.000 peak  4885 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.258 ppm2      0.133 CV     1
 ASSI { 4890}
   (  segid "    " and resid 113  and name HG1%)
   (( segid "    " and resid 114  and name HD2 ))
      6.000     4.500     0.000 peak  4890 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.177 ppm2      3.690 CV     1
 ASSI { 4892}
   (  segid "    " and resid 113  and name HG1%)
   (( segid "    " and resid 114  and name HB2 ))
      6.000     4.500     0.000 peak  4892 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.173 ppm2      2.882 CV     1
 ASSI { 4893}
   (  segid "    " and resid 113  and name HG1%)
   (( segid "    " and resid 114  and name HG2 ))
      6.000     4.500     0.000 peak  4893 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.176 ppm2      2.459 CV     1
 ASSI { 4894}
   (  segid "    " and resid 113  and name HG1%)
   (( segid "    " and resid 101  and name HB1 ))
      6.000     4.500     0.000 peak  4894 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.176 ppm2      2.329 CV     1
 ASSI { 4895}
   (  segid "    " and resid 113  and name HG1%)
   (( segid "    " and resid 114  and name HB1 ))
      6.000     4.500     0.000 peak  4895 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.176 ppm2      2.141 CV     1
 ASSI { 4897}
   (  segid "    " and resid 113  and name HG1%)
   (( segid "    " and resid 113  and name HB  ))
      6.000     4.500     0.000 peak  4897 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.176 ppm2      1.879 CV     1
 ASSI { 4906}
   (  segid "    " and resid 105  and name HG2%)
   (( segid "    " and resid 104  and name HB1 ))
      6.000     4.500     0.000 peak  4906 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.062 ppm2      2.181 CV     1
 OR { 4906}
   (  segid "    " and resid 105  and name HG1%)
   (( segid "    " and resid 104  and name HB1 ))
 ASSI { 4907}
   (  segid "    " and resid 136  and name HG1%)
   (( segid "    " and resid 135  and name HB1 ))
      6.000     4.500     0.000 peak  4907 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.063 ppm2      1.745 CV     1
 OR { 4907}
   (  segid "    " and resid 136  and name HG2%)
   (( segid "    " and resid 135  and name HB1 ))
 ASSI { 4911}
   (  segid "    " and resid 2    and name HG2%)
   (  segid "    " and resid 59   and name HB% )
      6.000     4.500     0.000 peak  4911 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.783 ppm2      1.265 CV     1
 ASSI { 4914}
   (( segid "    " and resid 54   and name HG  ))
   (( segid "    " and resid 18   and name HB  ))
      6.000     4.500     0.000 peak  4914 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.238 ppm2      1.526 CV     1
 ASSI { 4920}
   (  segid "    " and resid 147  and name HD2%)
   (( segid "    " and resid 129  and name HB2 ))
      6.000     4.500     0.000 peak  4920 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1     -0.567 ppm2      3.185 CV     1
 ASSI { 4928}
   (  segid "    " and resid 6    and name HB% )
   (( segid "    " and resid 99   and name HG1 ))
      6.000     4.500     0.000 peak  4928 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.778 ppm2      2.689 CV     1
 ASSI { 4933}
   (  segid "    " and resid 6    and name HB% )
   (  segid "    " and resid 5    and name HG2%)
      6.000     4.500     0.000 peak  4933 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.777 ppm2      0.856 CV     1
 ASSI { 4936}
   (  segid "    " and resid 105  and name HG1%)
   (( segid "    " and resid 105  and name HB  ))
      6.000     4.500     0.000 peak  4936 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.040 ppm2      2.004 CV     1
 OR { 4936}
   (  segid "    " and resid 105  and name HG2%)
   (( segid "    " and resid 105  and name HB  ))
 ASSI { 4938}
   (  segid "    " and resid 105  and name HG2%)
   (( segid "    " and resid 138  and name HD2 ))
      6.000     4.500     0.000 peak  4938 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.031 ppm2      4.031 CV     1
 OR { 4938}
   (  segid "    " and resid 105  and name HG2%)
   (( segid "    " and resid 138  and name HD1 ))
 OR { 4938}
   (  segid "    " and resid 105  and name HG1%)
   (( segid "    " and resid 138  and name HD2 ))
 OR { 4938}
   (  segid "    " and resid 105  and name HG1%)
   (( segid "    " and resid 138  and name HD1 ))
 ASSI { 4945}
   (  segid "    " and resid 83   and name HG1%)
   (( segid "    " and resid 85   and name HG2 ))
      6.000     4.500     0.000 peak  4945 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.971 ppm2      1.444 CV     1
 OR { 4945}
   (  segid "    " and resid 83   and name HG1%)
   (( segid "    " and resid 85   and name HG1 ))
 OR { 4945}
   (  segid "    " and resid 83   and name HG2%)
   (( segid "    " and resid 85   and name HG2 ))
 ASSI { 4951}
   (( segid "    " and resid 155  and name HG  ))
   (( segid "    " and resid 123  and name HB1 ))
      6.000     4.500     0.000 peak  4951 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.787 ppm2      3.333 CV     1
 ASSI { 4952}
   (( segid "    " and resid 155  and name HG  ))
   (( segid "    " and resid 127  and name HD2 ))
      6.000     4.500     0.000 peak  4952 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.787 ppm2      3.237 CV     1
 ASSI { 4953}
   (( segid "    " and resid 155  and name HG  ))
   (( segid "    " and resid 40   and name HB1 ))
      6.000     4.500     0.000 peak  4953 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.786 ppm2      3.086 CV     1
 ASSI { 4954}
   (( segid "    " and resid 155  and name HG  ))
   (( segid "    " and resid 126  and name HB2 ))
      6.000     4.500     0.000 peak  4954 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.787 ppm2      2.976 CV     1
 ASSI { 4955}
   (( segid "    " and resid 155  and name HG  ))
   (( segid "    " and resid 154  and name HE1 ))
      6.000     4.500     0.000 peak  4955 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.788 ppm2      2.850 CV     1
 ASSI { 4956}
   (( segid "    " and resid 155  and name HG  ))
   (( segid "    " and resid 40   and name HB2 ))
      6.000     4.500     0.000 peak  4956 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.786 ppm2      2.727 CV     1
 ASSI { 4961}
   (( segid "    " and resid 1    and name HG21))
   (( segid "    " and resid 104  and name HG2 ))
      6.000     4.500     0.000 peak  4961 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.562 ppm2      2.549 CV     1
 ASSI { 4963}
   (( segid "    " and resid 1    and name HG21))
   (  segid "    " and resid 3    and name HB% )
      6.000     4.500     0.000 peak  4963 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.562 ppm2      1.235 CV     1
 ASSI { 4965}
   (( segid "    " and resid 1    and name HG21))
   (( segid "    " and resid 2    and name HA  ))
      6.000     4.500     0.000 peak  4965 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.557 ppm2      4.233 CV     1
 ASSI { 4966}
   (( segid "    " and resid 1    and name HG21))
   (  segid "    " and resid 62   and name HG2%)
      6.000     4.500     0.000 peak  4966 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.555 ppm2      1.112 CV     1
 ASSI { 4969}
   (  segid "    " and resid 6    and name HB% )
   (  segid "    " and resid 57   and name HB% )
      6.000     4.500     0.000 peak  4969 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.776 ppm2      1.350 CV     1
 ASSI { 4978}
   (  segid "    " and resid 3    and name HB% )
   (( segid "    " and resid 101  and name HB1 ))
      6.000     4.500     0.000 peak  4978 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.232 ppm2      2.326 CV     1
 ASSI { 4979}
   (  segid "    " and resid 3    and name HB% )
   (( segid "    " and resid 60   and name HB1 ))
      6.000     4.500     0.000 peak  4979 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.229 ppm2      1.833 CV     1
 ASSI { 4990}
   (  segid "    " and resid 36   and name HG2%)
   (( segid "    " and resid 33   and name HG12))
      6.000     4.500     0.000 peak  4990 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.361 ppm2      1.618 CV     1
 OR { 4990}
   (  segid "    " and resid 36   and name HG2%)
   (( segid "    " and resid 33   and name HG11))
 ASSI { 4991}
   (  segid "    " and resid 36   and name HG2%)
   (( segid "    " and resid 22   and name HB1 ))
      6.000     4.500     0.000 peak  4991 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.358 ppm2      1.502 CV     1
 ASSI { 4992}
   (  segid "    " and resid 36   and name HG2%)
   (  segid "    " and resid 22   and name HD2%)
      6.000     4.500     0.000 peak  4992 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.358 ppm2      0.866 CV     1
 ASSI { 4999}
   (  segid "    " and resid 18   and name HG1%)
   (  segid "    " and resid 56   and name HB% )
      6.000     4.500     0.000 peak  4999 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.236 ppm2      1.402 CV     1
 ASSI { 5002}
   (  segid "    " and resid 18   and name HG1%)
   (  segid "    " and resid 7    and name HG2%)
      6.000     4.500     0.000 peak  5002 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.237 ppm2      0.824 CV     1
 ASSI { 5005}
   (  segid "    " and resid 18   and name HG1%)
   (  segid "    " and resid 54   and name HD2%)
      6.000     4.500     0.000 peak  5005 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.237 ppm2     -0.637 CV     1
 ASSI { 5028}
   (  segid "    " and resid 86   and name HB% )
   (( segid "    " and resid 87   and name HB1 ))
      6.000     4.500     0.000 peak  5028 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.450 ppm2      2.033 CV     1
 OR { 5028}
   (  segid "    " and resid 86   and name HB% )
   (( segid "    " and resid 87   and name HB2 ))
 ASSI { 5031}
   (  segid "    " and resid 24   and name HB% )
   (( segid "    " and resid 76   and name HA  ))
      6.000     4.500     0.000 peak  5031 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.572 ppm2      3.593 CV     1
 ASSI { 5032}
   (  segid "    " and resid 21   and name HB% )
   (( segid "    " and resid 22   and name HG  ))
      6.000     4.500     0.000 peak  5032 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.570 ppm2      1.945 CV     1
 ASSI { 5036}
   (  segid "    " and resid 24   and name HB% )
   (( segid "    " and resid 76   and name HG11))
      6.000     4.500     0.000 peak  5036 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.575 ppm2      2.121 CV     1
 OR { 5036}
   (  segid "    " and resid 24   and name HB% )
   (( segid "    " and resid 76   and name HG12))
 ASSI { 5043}
   (  segid "    " and resid 21   and name HB% )
   (  segid "    " and resid 18   and name HG1%)
      6.000     4.500     0.000 peak  5043 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.563 ppm2      0.244 CV     1
 ASSI { 5085}
   (  segid "    " and resid 132  and name HB% )
   (  segid "    " and resid 135  and name HD1%)
      6.000     4.500     0.000 peak  5085 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.019 ppm2      0.136 CV     1
 ASSI { 5086}
   (  segid "    " and resid 15   and name HD1%)
   (( segid "    " and resid 15   and name HA  ))
      6.000     4.500     0.000 peak  5086 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.014 ppm2      3.431 CV     1
 OR { 5086}
   (  segid "    " and resid 15   and name HD2%)
   (( segid "    " and resid 15   and name HA  ))
 ASSI { 5099}
   (  segid "    " and resid 62   and name HG2%)
   (( segid "    " and resid 69   and name HB1 ))
      6.000     4.500     0.000 peak  5099 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.116 ppm2      2.216 CV     1
 ASSI { 5102}
   (  segid "    " and resid 62   and name HG2%)
   (( segid "    " and resid 64   and name HB1 ))
      6.000     4.500     0.000 peak  5102 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.112 ppm2      1.483 CV     1
 ASSI { 5111}
   (  segid "    " and resid 106  and name HG2%)
   (  segid "    " and resid 108  and name HG2%)
      6.000     4.500     0.000 peak  5111 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.944 ppm2      1.220 CV     1
 ASSI { 5112}
   (  segid "    " and resid 106  and name HG2%)
   (  segid "    " and resid 106  and name HD1%)
      6.000     4.500     0.000 peak  5112 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.945 ppm2      0.641 CV     1
 ASSI { 5118}
   (  segid "    " and resid 131  and name HG2%)
   (  segid "    " and resid 59   and name HB% )
      6.000     4.500     0.000 peak  5118 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.849 ppm2      1.272 CV     1
 ASSI { 5135}
   (  segid "    " and resid 131  and name HG2%)
   (( segid "    " and resid 128  and name HG  ))
      6.000     4.500     0.000 peak  5135 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.845 ppm2      0.283 CV     1
 ASSI { 5146}
   (  segid "    " and resid 11   and name HD1%)
   (( segid "    " and resid 48   and name HB2 ))
      6.000     4.500     0.000 peak  5146 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.755 ppm2      2.275 CV     1
 OR { 5146}
   (  segid "    " and resid 11   and name HD2%)
   (( segid "    " and resid 48   and name HB2 ))
 ASSI { 5149}
   (  segid "    " and resid 146  and name HG2%)
   (( segid "    " and resid 150  and name HD1 ))
      6.000     4.500     0.000 peak  5149 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.752 ppm2      2.964 CV     1
 ASSI { 5152}
   (  segid "    " and resid 65   and name HB% )
   (( segid "    " and resid 68   and name HG2 ))
      6.000     4.500     0.000 peak  5152 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.459 ppm2      2.416 CV     1
 OR { 5152}
   (  segid "    " and resid 65   and name HB% )
   (( segid "    " and resid 68   and name HG1 ))
 ASSI { 5155}
   (  segid "    " and resid 65   and name HB% )
   (( segid "    " and resid 67   and name HG2 ))
      6.000     4.500     0.000 peak  5155 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.453 ppm2      2.018 CV     1
 ASSI { 5161}
   (  segid "    " and resid 33   and name HG2%)
   (( segid "    " and resid 33   and name HA  ))
      6.000     4.500     0.000 peak  5161 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.780 ppm2      3.886 CV     1
 ASSI { 5170}
   (  segid "    " and resid 20   and name HB% )
   (( segid "    " and resid 17   and name HA  ))
      6.000     4.500     0.000 peak  5170 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.453 ppm2      4.002 CV     1
 ASSI { 5174}
   (  segid "    " and resid 28   and name HG2%)
   (( segid "    " and resid 69   and name HA  ))
      6.000     4.500     0.000 peak  5174 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.604 ppm2      4.202 CV     1
 ASSI { 5179}
   (  segid "    " and resid 28   and name HG2%)
   (( segid "    " and resid 29   and name HD1 ))
      6.000     4.500     0.000 peak  5179 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.604 ppm2      2.754 CV     1
 ASSI { 5181}
   (  segid "    " and resid 28   and name HG2%)
   (( segid "    " and resid 64   and name HB2 ))
      6.000     4.500     0.000 peak  5181 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.604 ppm2      1.741 CV     1
 ASSI { 5186}
   (  segid "    " and resid 28   and name HG2%)
   (  segid "    " and resid 69   and name HD2%)
      6.000     4.500     0.000 peak  5186 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.603 ppm2      0.953 CV     1
 ASSI { 5187}
   (  segid "    " and resid 28   and name HD1%)
   (( segid "    " and resid 72   and name HB1 ))
      6.000     4.500     0.000 peak  5187 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.820 ppm2      3.451 CV     1
 ASSI { 5200}
   (  segid "    " and resid 131  and name HD1%)
   (( segid "    " and resid 4    and name HB1 ))
      6.000     4.500     0.000 peak  5200 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.887 ppm2      2.729 CV     1
 ASSI { 5202}
   (  segid "    " and resid 131  and name HD1%)
   (  segid "    " and resid 59   and name HB% )
      6.000     4.500     0.000 peak  5202 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.885 ppm2      1.266 CV     1
 ASSI { 5204}
   (  segid "    " and resid 131  and name HD1%)
   (( segid "    " and resid 128  and name HA  ))
      6.000     4.500     0.000 peak  5204 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.878 ppm2      3.868 CV     1
 ASSI { 5205}
   (  segid "    " and resid 131  and name HD1%)
   (( segid "    " and resid 131  and name HB  ))
      6.000     4.500     0.000 peak  5205 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.882 ppm2      2.147 CV     1
 ASSI { 5206}
   (  segid "    " and resid 131  and name HD1%)
   (( segid "    " and resid 131  and name HG11))
      6.000     4.500     0.000 peak  5206 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.880 ppm2      1.658 CV     1
 OR { 5206}
   (  segid "    " and resid 131  and name HD1%)
   (( segid "    " and resid 131  and name HG12))
 ASSI { 5208}
   (  segid "    " and resid 28   and name HD1%)
   (( segid "    " and resid 25   and name HA  ))
      6.000     4.500     0.000 peak  5208 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.815 ppm2      3.891 CV     1
 ASSI { 5210}
   (  segid "    " and resid 146  and name HD1%)
   (( segid "    " and resid 119  and name HA  ))
      6.000     4.500     0.000 peak  5210 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.475 ppm2      3.818 CV     1
 ASSI { 5227}
   (  segid "    " and resid 106  and name HD1%)
   (( segid "    " and resid 66   and name HG1 ))
      6.000     4.500     0.000 peak  5227 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.642 ppm2      1.745 CV     1
 ASSI { 5230}
   (  segid "    " and resid 33   and name HD1%)
   (( segid "    " and resid 25   and name HB1 ))
      6.000     4.500     0.000 peak  5230 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.913 ppm2      2.125 CV     1
 ASSI { 5233}
   (  segid "    " and resid 33   and name HD1%)
   (( segid "    " and resid 33   and name HG12))
      6.000     4.500     0.000 peak  5233 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.911 ppm2      1.596 CV     1
 OR { 5233}
   (  segid "    " and resid 33   and name HD1%)
   (( segid "    " and resid 33   and name HG11))
 ASSI { 5236}
   (  segid "    " and resid 98   and name HG2%)
   (( segid "    " and resid 101  and name HB2 ))
      6.000     4.500     0.000 peak  5236 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.813 ppm2      3.347 CV     1
 ASSI {    5}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 3    and name HA  ))
      3.200     1.300     1.300 peak     5 spectrum    1 weight  0.10000E+01 volume  0.38637E-02 ppm1      9.234 ppm2      4.963 CV     1
 ASSI {    6}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 61   and name HA  ))
      3.300     1.300     1.300 peak     6 spectrum    1 weight  0.10000E+01 volume  0.12906E-01 ppm1      9.234 ppm2      4.747 CV     1
 ASSI {    7}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 2    and name HA  ))
      2.200     0.600     0.600 peak     7 spectrum    1 weight  0.10000E+01 volume  0.27447E-01 ppm1      9.234 ppm2      4.216 CV     1
 ASSI {    8}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 2    and name HB  ))
      3.800     1.800     1.800 peak     8 spectrum    1 weight  0.10000E+01 volume  0.87687E-02 ppm1      9.235 ppm2      1.775 CV     1
 ASSI {    9}
   (( segid "    " and resid 3    and name HN  ))
   (  segid "    " and resid 3    and name HB% )
      2.500     0.800     0.800 peak     9 spectrum    1 weight  0.10000E+01 volume  0.19505E-01 ppm1      9.235 ppm2      1.223 CV     1
 ASSI {   11}
   (( segid "    " and resid 3    and name HN  ))
   (  segid "    " and resid 2    and name HG2%)
      3.500     1.500     1.500 peak    11 spectrum    1 weight  0.10000E+01 volume  0.15609E-01 ppm1      9.235 ppm2      0.778 CV     1
 ASSI {   17}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 99   and name HN  ))
      4.600     2.600     1.400 peak    17 spectrum    1 weight  0.10000E+01 volume  0.24064E-02 ppm1      9.996 ppm2      9.591 CV     1
 ASSI {   20}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 5    and name HA  ))
      2.400     0.700     0.700 peak    20 spectrum    1 weight  0.10000E+01 volume  0.15646E-01 ppm1      9.997 ppm2      4.872 CV     1
 ASSI {   21}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 98   and name HA  ))
      4.500     2.500     1.500 peak    21 spectrum    1 weight  0.10000E+01 volume  0.39971E-02 ppm1      9.996 ppm2      4.173 CV     1
 ASSI {   22}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 99   and name HG2 ))
      3.500     1.600     1.600 peak    22 spectrum    1 weight  0.10000E+01 volume  0.38349E-02 ppm1      9.996 ppm2      2.675 CV     1
 ASSI {   23}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 97   and name HB1 ))
      6.000     6.000     0.000 peak    23 spectrum    1 weight  0.10000E+01 volume  0.13976E-03 ppm1      9.996 ppm2      2.548 CV     1
 ASSI {   25}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 5    and name HG12))
      4.000     2.000     2.000 peak    25 spectrum    1 weight  0.10000E+01 volume  0.86600E-02 ppm1      9.997 ppm2      1.574 CV     1
 OR {   25}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 5    and name HG11))
 ASSI {   30}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 50   and name HE21))
      3.600     1.600     1.600 peak    30 spectrum    1 weight  0.10000E+01 volume  0.88031E-02 ppm1      9.418 ppm2      7.106 CV     1
 ASSI {   31}
   (( segid "    " and resid 45   and name HN  ))
   (  segid "    " and resid 53   and name HD% )
      3.900     1.900     1.900 peak    31 spectrum    1 weight  0.10000E+01 volume  0.64707E-02 ppm1      9.417 ppm2      6.574 CV     1
 ASSI {   33}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 45   and name HA  ))
      3.300     1.300     1.300 peak    33 spectrum    1 weight  0.10000E+01 volume  0.42456E-02 ppm1      9.416 ppm2      4.569 CV     1
 ASSI {   34}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 44   and name HA  ))
      3.200     1.300     1.300 peak    34 spectrum    1 weight  0.10000E+01 volume  0.72868E-02 ppm1      9.420 ppm2      4.198 CV     1
 ASSI {   35}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 44   and name HB2 ))
      3.300     1.300     1.300 peak    35 spectrum    1 weight  0.10000E+01 volume  0.38529E-02 ppm1      9.419 ppm2      1.924 CV     1
 OR {   35}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 44   and name HB1 ))
 ASSI {   36}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 45   and name HB2 ))
      3.100     1.200     1.200 peak    36 spectrum    1 weight  0.10000E+01 volume  0.10992E-01 ppm1      9.416 ppm2      1.595 CV     1
 OR {   36}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 45   and name HB1 ))
 ASSI {   37}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 45   and name HG  ))
      4.500     2.500     1.500 peak    37 spectrum    1 weight  0.10000E+01 volume  0.17424E-02 ppm1      9.418 ppm2      1.351 CV     1
 ASSI {   38}
   (( segid "    " and resid 45   and name HN  ))
   (  segid "    " and resid 45   and name HD2%)
      4.900     3.000     1.100 peak    38 spectrum    1 weight  0.10000E+01 volume  0.26679E-02 ppm1      9.417 ppm2      0.824 CV     1
 ASSI {   40}
   (( segid "    " and resid 45   and name HN  ))
   (  segid "    " and resid 45   and name HD1%)
      4.600     2.600     1.400 peak    40 spectrum    1 weight  0.10000E+01 volume  0.25485E-02 ppm1      9.412 ppm2      1.055 CV     1
 ASSI {   43}
   (( segid "    " and resid 96   and name HN  ))
   (( segid "    " and resid 96   and name HB2 ))
      4.000     2.000     2.000 peak    43 spectrum    1 weight  0.10000E+01 volume  0.35578E-02 ppm1     10.616 ppm2      2.177 CV     1
 ASSI {   44}
   (( segid "    " and resid 96   and name HN  ))
   (( segid "    " and resid 77   and name HG1 ))
      4.000     2.000     2.000 peak    44 spectrum    1 weight  0.10000E+01 volume  0.24500E-02 ppm1     10.617 ppm2      1.953 CV     1
 ASSI {   45}
   (( segid "    " and resid 96   and name HN  ))
   (( segid "    " and resid 96   and name HG  ))
      3.800     1.800     1.800 peak    45 spectrum    1 weight  0.10000E+01 volume  0.29066E-02 ppm1     10.617 ppm2      1.623 CV     1
 ASSI {   47}
   (( segid "    " and resid 96   and name HN  ))
   (( segid "    " and resid 96   and name HB1 ))
      3.000     1.100     1.100 peak    47 spectrum    1 weight  0.10000E+01 volume  0.74893E-02 ppm1     10.613 ppm2      0.949 CV     1
 ASSI {   51}
   (( segid "    " and resid 106  and name HN  ))
   (( segid "    " and resid 107  and name HN  ))
      4.000     2.000     2.000 peak    51 spectrum    1 weight  0.10000E+01 volume  0.35450E-02 ppm1      9.385 ppm2      9.217 CV     1
 ASSI {   52}
   (( segid "    " and resid 106  and name HN  ))
   (( segid "    " and resid 105  and name HA  ))
      2.400     0.700     0.700 peak    52 spectrum    1 weight  0.10000E+01 volume  0.18166E-01 ppm1      9.384 ppm2      4.649 CV     1
 ASSI {   54}
   (( segid "    " and resid 106  and name HN  ))
   (( segid "    " and resid 114  and name HD2 ))
      6.000     4.600     0.000 peak    54 spectrum    1 weight  0.10000E+01 volume  0.82445E-03 ppm1      9.387 ppm2      3.667 CV     1
 ASSI {   55}
   (( segid "    " and resid 106  and name HN  ))
   (  segid "    " and resid 105  and name HG1%)
      3.300     1.300     1.300 peak    55 spectrum    1 weight  0.10000E+01 volume  0.22472E-01 ppm1      9.387 ppm2      1.038 CV     1
 OR {   55}
   (( segid "    " and resid 106  and name HN  ))
   (  segid "    " and resid 105  and name HG2%)
 ASSI {   56}
   (( segid "    " and resid 106  and name HN  ))
   (  segid "    " and resid 106  and name HD1%)
      4.500     2.600     1.500 peak    56 spectrum    1 weight  0.10000E+01 volume  0.30384E-02 ppm1      9.382 ppm2      0.646 CV     1
 ASSI {   57}
   (( segid "    " and resid 106  and name HN  ))
   (( segid "    " and resid 112  and name HA  ))
      5.000     3.200     1.000 peak    57 spectrum    1 weight  0.10000E+01 volume  0.13764E-02 ppm1      9.388 ppm2      5.244 CV     1
 ASSI {   61}
   (( segid "    " and resid 106  and name HN  ))
   (( segid "    " and resid 106  and name HB  ))
      2.900     1.000     1.000 peak    61 spectrum    1 weight  0.10000E+01 volume  0.95485E-02 ppm1      9.385 ppm2      1.442 CV     1
 ASSI {   63}
   (( segid "    " and resid 132  and name HN  ))
   (  segid "    " and resid 129  and name HD% )
      5.700     4.000     0.300 peak    63 spectrum    1 weight  0.10000E+01 volume  0.15467E-02 ppm1      8.300 ppm2      7.192 CV     1
 ASSI {   64}
   (( segid "    " and resid 132  and name HN  ))
   (( segid "    " and resid 131  and name HN  ))
      2.400     0.700     0.700 peak    64 spectrum    1 weight  0.10000E+01 volume  0.16249E-01 ppm1      8.300 ppm2      6.926 CV     1
 ASSI {   65}
   (( segid "    " and resid 132  and name HN  ))
   (( segid "    " and resid 132  and name HA  ))
      2.800     1.000     1.000 peak    65 spectrum    1 weight  0.10000E+01 volume  0.10263E-01 ppm1      8.300 ppm2      4.758 CV     1
 ASSI {   66}
   (( segid "    " and resid 132  and name HN  ))
   (( segid "    " and resid 133  and name HA  ))
      3.800     1.800     1.800 peak    66 spectrum    1 weight  0.10000E+01 volume  0.24952E-02 ppm1      8.304 ppm2      4.104 CV     1
 ASSI {   69}
   (( segid "    " and resid 132  and name HN  ))
   (( segid "    " and resid 133  and name HB1 ))
      3.300     1.300     1.300 peak    69 spectrum    1 weight  0.10000E+01 volume  0.11674E-01 ppm1      8.300 ppm2      1.474 CV     1
 ASSI {   70}
   (( segid "    " and resid 132  and name HN  ))
   (  segid "    " and resid 132  and name HB% )
      2.900     1.100     1.100 peak    70 spectrum    1 weight  0.10000E+01 volume  0.20135E-01 ppm1      8.300 ppm2      1.006 CV     1
 ASSI {   71}
   (( segid "    " and resid 132  and name HN  ))
   (  segid "    " and resid 128  and name HD2%)
      4.700     2.800     1.300 peak    71 spectrum    1 weight  0.10000E+01 volume  0.98741E-03 ppm1      8.303 ppm2      0.606 CV     1
 OR {   71}
   (( segid "    " and resid 132  and name HN  ))
   (  segid "    " and resid 128  and name HD1%)
 ASSI {   72}
   (( segid "    " and resid 132  and name HN  ))
   (( segid "    " and resid 128  and name HG  ))
      3.800     1.800     1.800 peak    72 spectrum    1 weight  0.10000E+01 volume  0.41122E-02 ppm1      8.300 ppm2      0.319 CV     1
 ASSI {   73}
   (( segid "    " and resid 98   and name HN  ))
   (( segid "    " and resid 97   and name HB2 ))
      5.600     3.900     0.400 peak    73 spectrum    1 weight  0.10000E+01 volume  0.59689E-03 ppm1     11.149 ppm2      2.361 CV     1
 ASSI {   76}
   (( segid "    " and resid 98   and name HN  ))
   (( segid "    " and resid 99   and name HN  ))
      4.200     2.200     1.800 peak    76 spectrum    1 weight  0.10000E+01 volume  0.37493E-02 ppm1     11.140 ppm2      9.585 CV     1
 ASSI {   79}
   (( segid "    " and resid 98   and name HN  ))
   (( segid "    " and resid 97   and name HA  ))
      2.600     0.800     0.800 peak    79 spectrum    1 weight  0.10000E+01 volume  0.10441E-01 ppm1     11.142 ppm2      5.537 CV     1
 ASSI {   81}
   (( segid "    " and resid 98   and name HN  ))
   (( segid "    " and resid 98   and name HA  ))
      4.000     2.000     2.000 peak    81 spectrum    1 weight  0.10000E+01 volume  0.77071E-03 ppm1     11.140 ppm2      4.168 CV     1
 ASSI {   82}
   (( segid "    " and resid 98   and name HN  ))
   (( segid "    " and resid 98   and name HB  ))
      2.600     0.800     0.800 peak    82 spectrum    1 weight  0.10000E+01 volume  0.75407E-02 ppm1     11.145 ppm2      2.108 CV     1
 ASSI {   83}
   (( segid "    " and resid 98   and name HN  ))
   (( segid "    " and resid 98   and name HG12))
      3.300     1.400     1.400 peak    83 spectrum    1 weight  0.10000E+01 volume  0.62148E-02 ppm1     11.139 ppm2      1.864 CV     1
 ASSI {   84}
   (( segid "    " and resid 98   and name HN  ))
   (( segid "    " and resid 98   and name HG11))
      3.000     1.100     1.100 peak    84 spectrum    1 weight  0.10000E+01 volume  0.13124E-01 ppm1     11.143 ppm2      0.965 CV     1
 ASSI {   85}
   (( segid "    " and resid 98   and name HN  ))
   (  segid "    " and resid 98   and name HG2%)
      3.900     1.900     1.900 peak    85 spectrum    1 weight  0.10000E+01 volume  0.66798E-02 ppm1     11.143 ppm2      0.818 CV     1
 ASSI {   87}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 61   and name HG1 ))
      5.200     3.300     0.800 peak    87 spectrum    1 weight  0.10000E+01 volume  0.22321E-02 ppm1      8.795 ppm2      2.218 CV     1
 ASSI {   88}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 61   and name HB2 ))
      2.400     0.700     0.700 peak    88 spectrum    1 weight  0.10000E+01 volume  0.20549E-01 ppm1      8.795 ppm2      1.327 CV     1
 ASSI {   90}
   (( segid "    " and resid 132  and name HN  ))
   (( segid "    " and resid 131  and name HA  ))
      3.300     1.400     1.400 peak    90 spectrum    1 weight  0.10000E+01 volume  0.63639E-02 ppm1      8.300 ppm2      4.497 CV     1
 ASSI {   91}
   (( segid "    " and resid 132  and name HN  ))
   (( segid "    " and resid 133  and name HD1 ))
      3.000     1.100     1.100 peak    91 spectrum    1 weight  0.10000E+01 volume  0.50541E-02 ppm1      8.298 ppm2      3.425 CV     1
 ASSI {   92}
   (( segid "    " and resid 132  and name HN  ))
   (( segid "    " and resid 133  and name HD2 ))
      3.900     1.900     1.900 peak    92 spectrum    1 weight  0.10000E+01 volume  0.61678E-02 ppm1      8.299 ppm2      3.116 CV     1
 ASSI {   94}
   (( segid "    " and resid 132  and name HN  ))
   (( segid "    " and resid 131  and name HB  ))
      3.700     1.700     1.700 peak    94 spectrum    1 weight  0.10000E+01 volume  0.63021E-02 ppm1      8.300 ppm2      2.142 CV     1
 ASSI {   95}
   (( segid "    " and resid 132  and name HN  ))
   (( segid "    " and resid 131  and name HG12))
      2.600     0.900     0.900 peak    95 spectrum    1 weight  0.10000E+01 volume  0.12223E-01 ppm1      8.300 ppm2      1.653 CV     1
 OR {   95}
   (( segid "    " and resid 132  and name HN  ))
   (( segid "    " and resid 131  and name HG11))
 ASSI {   97}
   (( segid "    " and resid 132  and name HN  ))
   (  segid "    " and resid 131  and name HG2%)
      3.800     1.800     1.800 peak    97 spectrum    1 weight  0.10000E+01 volume  0.12473E-01 ppm1      8.300 ppm2      0.853 CV     1
 ASSI {   98}
   (( segid "    " and resid 113  and name HN  ))
   (  segid "    " and resid 105  and name HG2%)
      3.300     3.300     2.700 peak    98 spectrum    1 weight  0.10000E+01 volume  0.87529E-02 ppm1      9.393 ppm2      1.029 CV     1
 ASSI {   99}
   (( segid "    " and resid 113  and name HN  ))
   (( segid "    " and resid 105  and name HA  ))
      4.500     2.500     1.500 peak    99 spectrum    1 weight  0.10000E+01 volume  0.28372E-02 ppm1      9.382 ppm2      4.648 CV     1
 ASSI {  101}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 31   and name HA  ))
      5.700     4.100     0.300 peak   101 spectrum    1 weight  0.10000E+01 volume  0.85583E-03 ppm1      8.795 ppm2      5.935 CV     1
 ASSI {  106}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 60   and name HB1 ))
      3.700     1.700     1.700 peak   106 spectrum    1 weight  0.10000E+01 volume  0.96207E-02 ppm1      8.794 ppm2      1.012 CV     1
 ASSI {  107}
   (( segid "    " and resid 2    and name HN  ))
   (( segid "    " and resid 62   and name HN  ))
      3.400     3.400     2.600 peak   107 spectrum    1 weight  0.10000E+01 volume  0.14346E-01 ppm1      8.788 ppm2      9.219 CV     1
 ASSI {  109}
   (( segid "    " and resid 2    and name HN  ))
   (( segid "    " and resid 102  and name HA2 ))
      3.100     1.200     1.200 peak   109 spectrum    1 weight  0.10000E+01 volume  0.14958E-01 ppm1      8.785 ppm2      3.870 CV     1
 OR {  109}
   (( segid "    " and resid 2    and name HN  ))
   (( segid "    " and resid 102  and name HA1 ))
 ASSI {  111}
   (( segid "    " and resid 158  and name HN  ))
   (( segid "    " and resid 41   and name HN  ))
      3.200     1.300     1.300 peak   111 spectrum    1 weight  0.10000E+01 volume  0.60347E-02 ppm1      8.662 ppm2      8.821 CV     1
 ASSI {  113}
   (( segid "    " and resid 158  and name HN  ))
   (( segid "    " and resid 158  and name HE3 ))
      5.500     3.700     0.500 peak   113 spectrum    1 weight  0.10000E+01 volume  0.95724E-03 ppm1      8.661 ppm2      7.390 CV     1
 ASSI {  114}
   (( segid "    " and resid 158  and name HN  ))
   (( segid "    " and resid 158  and name HD1 ))
      5.600     3.900     0.400 peak   114 spectrum    1 weight  0.10000E+01 volume  0.16027E-02 ppm1      8.665 ppm2      7.268 CV     1
 ASSI {  115}
   (( segid "    " and resid 158  and name HN  ))
   (  segid "    " and resid 40   and name HD% )
      2.600     2.600     3.400 peak   115 spectrum    1 weight  0.10000E+01 volume  0.33203E-02 ppm1      8.660 ppm2      7.034 CV     1
 ASSI {  116}
   (( segid "    " and resid 158  and name HN  ))
   (( segid "    " and resid 40   and name HA  ))
      2.600     0.800     0.800 peak   116 spectrum    1 weight  0.10000E+01 volume  0.10786E-01 ppm1      8.662 ppm2      5.252 CV     1
 ASSI {  117}
   (( segid "    " and resid 158  and name HN  ))
   (( segid "    " and resid 157  and name HA  ))
      2.300     0.600     0.600 peak   117 spectrum    1 weight  0.10000E+01 volume  0.15283E-01 ppm1      8.660 ppm2      4.497 CV     1
 ASSI {  118}
   (( segid "    " and resid 158  and name HN  ))
   (( segid "    " and resid 158  and name HA  ))
      2.900     1.100     1.100 peak   118 spectrum    1 weight  0.10000E+01 volume  0.44479E-02 ppm1      8.659 ppm2      3.960 CV     1
 ASSI {  119}
   (( segid "    " and resid 158  and name HN  ))
   (( segid "    " and resid 39   and name HB2 ))
      4.200     2.200     1.800 peak   119 spectrum    1 weight  0.10000E+01 volume  0.10195E-02 ppm1      8.662 ppm2      3.365 CV     1
 ASSI {  120}
   (( segid "    " and resid 158  and name HN  ))
   (( segid "    " and resid 158  and name HB2 ))
      2.400     0.700     0.700 peak   120 spectrum    1 weight  0.10000E+01 volume  0.11615E-01 ppm1      8.661 ppm2      3.059 CV     1
 ASSI {  121}
   (( segid "    " and resid 158  and name HN  ))
   (( segid "    " and resid 158  and name HB1 ))
      2.700     0.900     0.900 peak   121 spectrum    1 weight  0.10000E+01 volume  0.12852E-01 ppm1      8.663 ppm2      2.762 CV     1
 ASSI {  122}
   (( segid "    " and resid 158  and name HN  ))
   (( segid "    " and resid 157  and name HB1 ))
      2.700     0.900     0.900 peak   122 spectrum    1 weight  0.10000E+01 volume  0.10622E-01 ppm1      8.663 ppm2      1.834 CV     1
 ASSI {  123}
   (( segid "    " and resid 158  and name HN  ))
   (( segid "    " and resid 157  and name HG2 ))
      3.500     1.500     1.500 peak   123 spectrum    1 weight  0.10000E+01 volume  0.11040E-01 ppm1      8.662 ppm2      1.658 CV     1
 ASSI {  125}
   (( segid "    " and resid 158  and name HN  ))
   (( segid "    " and resid 157  and name HB2 ))
      4.600     2.600     1.400 peak   125 spectrum    1 weight  0.10000E+01 volume  0.24391E-02 ppm1      8.656 ppm2      1.988 CV     1
 ASSI {  127}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 37   and name HN  ))
      4.200     2.200     1.800 peak   127 spectrum    1 weight  0.10000E+01 volume  0.59373E-02 ppm1      8.534 ppm2      9.122 CV     1
 ASSI {  132}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 58   and name HA  ))
      2.200     0.600     0.600 peak   132 spectrum    1 weight  0.10000E+01 volume  0.30685E-01 ppm1      8.534 ppm2      5.021 CV     1
 ASSI {  135}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 58   and name HB  ))
      3.200     1.300     1.300 peak   135 spectrum    1 weight  0.10000E+01 volume  0.82079E-02 ppm1      8.535 ppm2      1.973 CV     1
 ASSI {  140}
   (( segid "    " and resid 59   and name HN  ))
   (  segid "    " and resid 58   and name HG2%)
      2.700     0.900     0.900 peak   140 spectrum    1 weight  0.10000E+01 volume  0.31984E-01 ppm1      8.534 ppm2      0.990 CV     1
 OR {  140}
   (( segid "    " and resid 59   and name HN  ))
   (  segid "    " and resid 58   and name HG1%)
 ASSI {  141}
   (( segid "    " and resid 59   and name HN  ))
   (  segid "    " and resid 131  and name HG2%)
      3.000     1.100     1.100 peak   141 spectrum    1 weight  0.10000E+01 volume  0.12711E-01 ppm1      8.534 ppm2      0.873 CV     1
 OR {  141}
   (( segid "    " and resid 59   and name HN  ))
   (  segid "    " and resid 131  and name HD1%)
 ASSI {  142}
   (( segid "    " and resid 59   and name HN  ))
   (  segid "    " and resid 34   and name HD1%)
      3.500     3.500     2.500 peak   142 spectrum    1 weight  0.10000E+01 volume  0.13808E-01 ppm1      8.533 ppm2      0.827 CV     1
 OR {  142}
   (( segid "    " and resid 59   and name HN  ))
   (  segid "    " and resid 34   and name HD2%)
 ASSI {  149}
   (( segid "    " and resid 99   and name HN  ))
   (( segid "    " and resid 99   and name HA  ))
      3.900     1.900     1.900 peak   149 spectrum    1 weight  0.10000E+01 volume  0.15758E-02 ppm1      9.591 ppm2      4.565 CV     1
 ASSI {  150}
   (( segid "    " and resid 99   and name HN  ))
   (( segid "    " and resid 98   and name HA  ))
      2.500     0.800     0.800 peak   150 spectrum    1 weight  0.10000E+01 volume  0.88169E-02 ppm1      9.592 ppm2      4.169 CV     1
 ASSI {  151}
   (( segid "    " and resid 99   and name HN  ))
   (( segid "    " and resid 99   and name HG2 ))
      3.700     1.700     1.700 peak   151 spectrum    1 weight  0.10000E+01 volume  0.49427E-02 ppm1      9.593 ppm2      2.701 CV     1
 ASSI {  152}
   (( segid "    " and resid 99   and name HN  ))
   (( segid "    " and resid 99   and name HB2 ))
      2.900     1.000     1.000 peak   152 spectrum    1 weight  0.10000E+01 volume  0.57096E-02 ppm1      9.592 ppm2      2.279 CV     1
 ASSI {  153}
   (( segid "    " and resid 99   and name HN  ))
   (( segid "    " and resid 98   and name HB  ))
      3.900     1.900     1.900 peak   153 spectrum    1 weight  0.10000E+01 volume  0.60455E-02 ppm1      9.592 ppm2      2.093 CV     1
 ASSI {  154}
   (( segid "    " and resid 99   and name HN  ))
   (( segid "    " and resid 100  and name HB2 ))
      3.700     1.700     1.700 peak   154 spectrum    1 weight  0.10000E+01 volume  0.77363E-02 ppm1      9.593 ppm2      1.806 CV     1
 ASSI {  155}
   (( segid "    " and resid 99   and name HN  ))
   (( segid "    " and resid 98   and name HG11))
      3.500     1.600     1.600 peak   155 spectrum    1 weight  0.10000E+01 volume  0.12737E-01 ppm1      9.591 ppm2      0.977 CV     1
 ASSI {  158}
   (( segid "    " and resid 113  and name HN  ))
   (( segid "    " and resid 108  and name HN  ))
      2.800     2.800     3.200 peak   158 spectrum    1 weight  0.10000E+01 volume  0.17957E-02 ppm1      9.394 ppm2      8.980 CV     1
 ASSI {  159}
   (( segid "    " and resid 113  and name HN  ))
   (( segid "    " and resid 107  and name HA  ))
      3.500     1.600     1.600 peak   159 spectrum    1 weight  0.10000E+01 volume  0.45684E-02 ppm1      9.389 ppm2      5.511 CV     1
 ASSI {  160}
   (( segid "    " and resid 113  and name HN  ))
   (( segid "    " and resid 112  and name HA  ))
      2.400     0.700     0.700 peak   160 spectrum    1 weight  0.10000E+01 volume  0.18048E-01 ppm1      9.391 ppm2      5.239 CV     1
 ASSI {  162}
   (( segid "    " and resid 113  and name HN  ))
   (( segid "    " and resid 113  and name HA  ))
      3.000     1.100     1.100 peak   162 spectrum    1 weight  0.10000E+01 volume  0.57514E-02 ppm1      9.393 ppm2      4.330 CV     1
 ASSI {  163}
   (( segid "    " and resid 113  and name HN  ))
   (( segid "    " and resid 113  and name HB  ))
      2.900     1.000     1.000 peak   163 spectrum    1 weight  0.10000E+01 volume  0.69283E-02 ppm1      9.389 ppm2      1.871 CV     1
 ASSI {  164}
   (( segid "    " and resid 113  and name HN  ))
   (  segid "    " and resid 112  and name HG2%)
      3.800     1.800     1.800 peak   164 spectrum    1 weight  0.10000E+01 volume  0.17804E-01 ppm1      9.390 ppm2      1.446 CV     1
 ASSI {  165}
   (( segid "    " and resid 113  and name HN  ))
   (  segid "    " and resid 113  and name HG1%)
      3.100     1.200     1.200 peak   165 spectrum    1 weight  0.10000E+01 volume  0.11021E-01 ppm1      9.393 ppm2      0.919 CV     1
 ASSI {  168}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 61   and name HN  ))
      3.400     1.500     1.500 peak   168 spectrum    1 weight  0.10000E+01 volume  0.40381E-02 ppm1      9.171 ppm2      8.796 CV     1
 ASSI {  170}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 61   and name HA  ))
      3.900     1.900     1.900 peak   170 spectrum    1 weight  0.10000E+01 volume  0.93292E-02 ppm1      9.168 ppm2      4.754 CV     1
 ASSI {  171}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 34   and name HA  ))
      3.100     1.200     1.200 peak   171 spectrum    1 weight  0.10000E+01 volume  0.71624E-02 ppm1      9.171 ppm2      4.518 CV     1
 ASSI {  177}
   (( segid "    " and resid 34   and name HN  ))
   (  segid "    " and resid 60   and name HD1%)
      3.800     3.800     2.200 peak   177 spectrum    1 weight  0.10000E+01 volume  0.14960E-01 ppm1      9.172 ppm2      0.752 CV     1
 ASSI {  179}
   (( segid "    " and resid 2    and name HN  ))
   (( segid "    " and resid 2    and name HA  ))
      2.900     1.100     1.100 peak   179 spectrum    1 weight  0.10000E+01 volume  0.80348E-02 ppm1      8.776 ppm2      4.211 CV     1
 ASSI {  180}
   (( segid "    " and resid 2    and name HN  ))
   (  segid "    " and resid 2    and name HG2%)
      2.800     1.000     1.000 peak   180 spectrum    1 weight  0.10000E+01 volume  0.20413E-01 ppm1      8.776 ppm2      0.770 CV     1
 ASSI {  181}
   (( segid "    " and resid 2    and name HN  ))
   (  segid "    " and resid 2    and name HG1%)
      3.700     1.700     1.700 peak   181 spectrum    1 weight  0.10000E+01 volume  0.76136E-02 ppm1      8.778 ppm2      0.124 CV     1
 ASSI {  183}
   (( segid "    " and resid 2    and name HN  ))
   (( segid "    " and resid 1    and name HA  ))
      2.300     0.700     0.700 peak   183 spectrum    1 weight  0.10000E+01 volume  0.22211E-01 ppm1      8.775 ppm2      3.628 CV     1
 ASSI {  184}
   (( segid "    " and resid 2    and name HN  ))
   (( segid "    " and resid 2    and name HB  ))
      2.500     0.800     0.800 peak   184 spectrum    1 weight  0.10000E+01 volume  0.20319E-01 ppm1      8.774 ppm2      1.761 CV     1
 ASSI {  194}
   (( segid "    " and resid 99   and name HN  ))
   (( segid "    " and resid 5    and name HG12))
      4.800     2.900     1.200 peak   194 spectrum    1 weight  0.10000E+01 volume  0.65630E-03 ppm1      9.590 ppm2      1.598 CV     1
 OR {  194}
   (( segid "    " and resid 99   and name HN  ))
   (( segid "    " and resid 5    and name HG11))
 ASSI {  196}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 60   and name HB2 ))
      3.000     1.100     1.100 peak   196 spectrum    1 weight  0.10000E+01 volume  0.10384E-01 ppm1      9.325 ppm2      1.839 CV     1
 ASSI {  197}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 34   and name HB1 ))
      5.300     3.500     0.700 peak   197 spectrum    1 weight  0.10000E+01 volume  0.95916E-03 ppm1      9.326 ppm2      1.557 CV     1
 ASSI {  198}
   (( segid "    " and resid 60   and name HN  ))
   (  segid "    " and resid 59   and name HB% )
      3.100     1.200     1.200 peak   198 spectrum    1 weight  0.10000E+01 volume  0.15887E-01 ppm1      9.325 ppm2      1.249 CV     1
 ASSI {  201}
   (( segid "    " and resid 60   and name HN  ))
   (  segid "    " and resid 2    and name HG1%)
      3.300     3.300     2.700 peak   201 spectrum    1 weight  0.10000E+01 volume  0.62328E-02 ppm1      9.325 ppm2      0.124 CV     1
 ASSI {  202}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 4    and name HA  ))
      3.700     1.700     1.700 peak   202 spectrum    1 weight  0.10000E+01 volume  0.32963E-02 ppm1      9.322 ppm2      5.554 CV     1
 ASSI {  203}
   (( segid "    " and resid 136  and name HN  ))
   (( segid "    " and resid 136  and name HA  ))
      2.900     1.100     1.100 peak   203 spectrum    1 weight  0.10000E+01 volume  0.41897E-02 ppm1      8.395 ppm2      4.519 CV     1
 ASSI {  204}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 61   and name HN  ))
      3.900     1.900     1.900 peak   204 spectrum    1 weight  0.10000E+01 volume  0.30767E-02 ppm1      9.329 ppm2      8.792 CV     1
 ASSI {  205}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 59   and name HN  ))
      5.000     3.100     1.000 peak   205 spectrum    1 weight  0.10000E+01 volume  0.19434E-02 ppm1      9.327 ppm2      8.533 CV     1
 ASSI {  206}
   (( segid "    " and resid 60   and name HN  ))
   (  segid "    " and resid 4    and name HD% )
      2.800     2.800     3.200 peak   206 spectrum    1 weight  0.10000E+01 volume  0.17734E-02 ppm1      9.329 ppm2      6.820 CV     1
 ASSI {  207}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 59   and name HA  ))
      2.300     0.600     0.600 peak   207 spectrum    1 weight  0.10000E+01 volume  0.25520E-01 ppm1      9.326 ppm2      4.831 CV     1
 ASSI {  208}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 2    and name HA  ))
      4.600     2.600     1.400 peak   208 spectrum    1 weight  0.10000E+01 volume  0.19080E-02 ppm1      9.325 ppm2      4.214 CV     1
 ASSI {  219}
   (( segid "    " and resid 95   and name HN  ))
   (( segid "    " and resid 96   and name HB2 ))
      4.100     2.100     1.900 peak   219 spectrum    1 weight  0.10000E+01 volume  0.39671E-02 ppm1      9.221 ppm2      2.189 CV     1
 ASSI {  220}
   (( segid "    " and resid 95   and name HN  ))
   (( segid "    " and resid 77   and name HG1 ))
      4.000     2.000     2.000 peak   220 spectrum    1 weight  0.10000E+01 volume  0.33026E-02 ppm1      9.226 ppm2      1.999 CV     1
 ASSI {  221}
   (( segid "    " and resid 107  and name HN  ))
   (( segid "    " and resid 113  and name HB  ))
      4.500     2.600     1.500 peak   221 spectrum    1 weight  0.10000E+01 volume  0.24048E-02 ppm1      9.222 ppm2      1.908 CV     1
 ASSI {  224}
   (( segid "    " and resid 107  and name HN  ))
   (( segid "    " and resid 107  and name HD21))
      3.900     1.900     1.900 peak   224 spectrum    1 weight  0.10000E+01 volume  0.18320E-02 ppm1      9.216 ppm2      7.808 CV     1
 ASSI {  225}
   (( segid "    " and resid 107  and name HN  ))
   (( segid "    " and resid 106  and name HA  ))
      2.200     0.600     0.600 peak   225 spectrum    1 weight  0.10000E+01 volume  0.36131E-01 ppm1      9.216 ppm2      4.310 CV     1
 ASSI {  227}
   (( segid "    " and resid 107  and name HN  ))
   (  segid "    " and resid 108  and name HG2%)
      3.300     3.300     2.700 peak   227 spectrum    1 weight  0.10000E+01 volume  0.11456E-01 ppm1      9.215 ppm2      1.216 CV     1
 ASSI {  229}
   (( segid "    " and resid 143  and name HN  ))
   (( segid "    " and resid 133  and name HB1 ))
      4.500     2.600     1.500 peak   229 spectrum    1 weight  0.10000E+01 volume  0.40941E-02 ppm1      8.452 ppm2      1.517 CV     1
 ASSI {  233}
   (( segid "    " and resid 143  and name HN  ))
   (( segid "    " and resid 142  and name HA  ))
      2.000     0.500     0.500 peak   233 spectrum    1 weight  0.10000E+01 volume  0.24938E-01 ppm1      8.448 ppm2      4.799 CV     1
 ASSI {  234}
   (( segid "    " and resid 143  and name HN  ))
   (( segid "    " and resid 136  and name HA  ))
      3.200     1.300     1.300 peak   234 spectrum    1 weight  0.10000E+01 volume  0.86515E-02 ppm1      8.447 ppm2      4.519 CV     1
 ASSI {  235}
   (( segid "    " and resid 143  and name HN  ))
   (( segid "    " and resid 143  and name HA  ))
      3.000     1.200     1.200 peak   235 spectrum    1 weight  0.10000E+01 volume  0.54578E-02 ppm1      8.446 ppm2      4.085 CV     1
 ASSI {  238}
   (( segid "    " and resid 143  and name HN  ))
   (( segid "    " and resid 142  and name HG2 ))
      4.600     2.700     1.400 peak   238 spectrum    1 weight  0.10000E+01 volume  0.26438E-02 ppm1      8.446 ppm2      2.654 CV     1
 ASSI {  239}
   (( segid "    " and resid 143  and name HN  ))
   (( segid "    " and resid 143  and name HB1 ))
      2.700     0.900     0.900 peak   239 spectrum    1 weight  0.10000E+01 volume  0.12718E-01 ppm1      8.449 ppm2      2.221 CV     1
 ASSI {  240}
   (( segid "    " and resid 143  and name HN  ))
   (( segid "    " and resid 136  and name HB  ))
      4.600     2.600     1.400 peak   240 spectrum    1 weight  0.10000E+01 volume  0.32273E-02 ppm1      8.441 ppm2      1.933 CV     1
 ASSI {  241}
   (( segid "    " and resid 143  and name HN  ))
   (( segid "    " and resid 135  and name HB1 ))
      3.400     1.400     1.400 peak   241 spectrum    1 weight  0.10000E+01 volume  0.33769E-02 ppm1      8.446 ppm2      1.767 CV     1
 ASSI {  243}
   (( segid "    " and resid 143  and name HN  ))
   (( segid "    " and resid 143  and name HG  ))
      3.600     1.600     1.600 peak   243 spectrum    1 weight  0.10000E+01 volume  0.17373E-01 ppm1      8.447 ppm2      0.995 CV     1
 ASSI {  247}
   (( segid "    " and resid 136  and name HN  ))
   (( segid "    " and resid 135  and name HN  ))
      4.500     2.600     1.500 peak   247 spectrum    1 weight  0.10000E+01 volume  0.38977E-02 ppm1      8.393 ppm2      7.212 CV     1
 ASSI {  248}
   (( segid "    " and resid 136  and name HN  ))
   (( segid "    " and resid 135  and name HA  ))
      2.300     0.700     0.700 peak   248 spectrum    1 weight  0.10000E+01 volume  0.29003E-01 ppm1      8.393 ppm2      3.846 CV     1
 ASSI {  249}
   (( segid "    " and resid 136  and name HN  ))
   (( segid "    " and resid 136  and name HB  ))
      2.800     1.000     1.000 peak   249 spectrum    1 weight  0.10000E+01 volume  0.11935E-01 ppm1      8.393 ppm2      1.942 CV     1
 ASSI {  250}
   (( segid "    " and resid 136  and name HN  ))
   (( segid "    " and resid 135  and name HB1 ))
      3.000     1.100     1.100 peak   250 spectrum    1 weight  0.10000E+01 volume  0.73887E-02 ppm1      8.392 ppm2      1.724 CV     1
 ASSI {  251}
   (( segid "    " and resid 136  and name HN  ))
   (( segid "    " and resid 135  and name HG  ))
      3.400     1.400     1.400 peak   251 spectrum    1 weight  0.10000E+01 volume  0.16672E-01 ppm1      8.393 ppm2      1.256 CV     1
 ASSI {  252}
   (( segid "    " and resid 136  and name HN  ))
   (  segid "    " and resid 136  and name HG1%)
      2.600     0.800     0.800 peak   252 spectrum    1 weight  0.10000E+01 volume  0.21111E-01 ppm1      8.393 ppm2      1.035 CV     1
 OR {  252}
   (( segid "    " and resid 136  and name HN  ))
   (  segid "    " and resid 136  and name HG2%)
 ASSI {  254}
   (( segid "    " and resid 136  and name HN  ))
   (  segid "    " and resid 135  and name HD1%)
      4.500     2.500     1.500 peak   254 spectrum    1 weight  0.10000E+01 volume  0.49043E-02 ppm1      8.393 ppm2      0.110 CV     1
 ASSI {  258}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 82   and name HA  ))
      2.500     0.800     0.800 peak   258 spectrum    1 weight  0.10000E+01 volume  0.20054E-01 ppm1      8.231 ppm2      4.377 CV     1
 ASSI {  261}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 83   and name HB  ))
      2.600     0.900     0.900 peak   261 spectrum    1 weight  0.10000E+01 volume  0.11872E-01 ppm1      8.231 ppm2      2.108 CV     1
 ASSI {  262}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 82   and name HG1 ))
      3.100     1.200     1.200 peak   262 spectrum    1 weight  0.10000E+01 volume  0.53016E-02 ppm1      8.234 ppm2      1.801 CV     1
 ASSI {  263}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 82   and name HB2 ))
      3.000     1.100     1.100 peak   263 spectrum    1 weight  0.10000E+01 volume  0.65480E-02 ppm1      8.229 ppm2      1.592 CV     1
 OR {  263}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 82   and name HB1 ))
 ASSI {  264}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 82   and name HG2 ))
      3.800     1.800     1.800 peak   264 spectrum    1 weight  0.10000E+01 volume  0.77657E-02 ppm1      8.232 ppm2      1.396 CV     1
 ASSI {  265}
   (( segid "    " and resid 83   and name HN  ))
   (  segid "    " and resid 83   and name HG2%)
      2.900     1.000     1.000 peak   265 spectrum    1 weight  0.10000E+01 volume  0.21188E-01 ppm1      8.232 ppm2      0.983 CV     1
 OR {  265}
   (( segid "    " and resid 83   and name HN  ))
   (  segid "    " and resid 83   and name HG1%)
 ASSI {  268}
   (( segid "    " and resid 95   and name HN  ))
   (( segid "    " and resid 8    and name HN  ))
      2.600     0.900     0.900 peak   268 spectrum    1 weight  0.10000E+01 volume  0.66338E-02 ppm1      9.211 ppm2      8.735 CV     1
 ASSI {  269}
   (( segid "    " and resid 107  and name HN  ))
   (( segid "    " and resid 107  and name HA  ))
      3.000     1.100     1.100 peak   269 spectrum    1 weight  0.10000E+01 volume  0.83223E-02 ppm1      9.216 ppm2      5.512 CV     1
 ASSI {  270}
   (( segid "    " and resid 95   and name HN  ))
   (( segid "    " and resid 8    and name HA1 ))
      3.800     1.800     1.800 peak   270 spectrum    1 weight  0.10000E+01 volume  0.40024E-02 ppm1      9.209 ppm2      4.150 CV     1
 ASSI {  277}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 83   and name HB  ))
      4.500     2.600     1.500 peak   277 spectrum    1 weight  0.10000E+01 volume  0.32511E-02 ppm1      8.803 ppm2      2.100 CV     1
 ASSI {  280}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 84   and name HD2 ))
      5.100     3.300     0.900 peak   280 spectrum    1 weight  0.10000E+01 volume  0.19295E-02 ppm1      8.799 ppm2      3.223 CV     1
 OR {  280}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 84   and name HD1 ))
 ASSI {  282}
   (( segid "    " and resid 84   and name HN  ))
   (  segid "    " and resid 83   and name HG1%)
      3.400     1.500     1.500 peak   282 spectrum    1 weight  0.10000E+01 volume  0.10519E-01 ppm1      8.801 ppm2      0.972 CV     1
 OR {  282}
   (( segid "    " and resid 84   and name HN  ))
   (  segid "    " and resid 83   and name HG2%)
 ASSI {  286}
   (( segid "    " and resid 101  and name HN  ))
   (( segid "    " and resid 101  and name HA  ))
      3.200     1.300     1.300 peak   286 spectrum    1 weight  0.10000E+01 volume  0.33435E-02 ppm1      9.848 ppm2      4.569 CV     1
 ASSI {  287}
   (( segid "    " and resid 101  and name HN  ))
   (( segid "    " and resid 101  and name HB2 ))
      2.800     1.000     1.000 peak   287 spectrum    1 weight  0.10000E+01 volume  0.80861E-02 ppm1      9.849 ppm2      3.324 CV     1
 ASSI {  288}
   (( segid "    " and resid 101  and name HN  ))
   (( segid "    " and resid 101  and name HB1 ))
      2.800     1.000     1.000 peak   288 spectrum    1 weight  0.10000E+01 volume  0.62280E-02 ppm1      9.851 ppm2      2.320 CV     1
 ASSI {  290}
   (( segid "    " and resid 101  and name HN  ))
   (( segid "    " and resid 100  and name HB2 ))
      3.900     1.900     1.900 peak   290 spectrum    1 weight  0.10000E+01 volume  0.56617E-02 ppm1      9.854 ppm2      1.806 CV     1
 ASSI {  292}
   (( segid "    " and resid 101  and name HN  ))
   (  segid "    " and resid 113  and name HG2%)
      3.500     1.600     1.600 peak   292 spectrum    1 weight  0.10000E+01 volume  0.15176E-01 ppm1      9.851 ppm2      1.163 CV     1
 ASSI {  296}
   (( segid "    " and resid 97   and name HN  ))
   (( segid "    " and resid 6    and name HN  ))
      3.500     1.500     1.500 peak   296 spectrum    1 weight  0.10000E+01 volume  0.48019E-02 ppm1      8.999 ppm2      9.989 CV     1
 ASSI {  299}
   (( segid "    " and resid 97   and name HN  ))
   (( segid "    " and resid 97   and name HA  ))
      3.100     1.200     1.200 peak   299 spectrum    1 weight  0.10000E+01 volume  0.53168E-02 ppm1      8.998 ppm2      5.538 CV     1
 ASSI {  300}
   (( segid "    " and resid 97   and name HN  ))
   (( segid "    " and resid 96   and name HA  ))
      2.400     0.700     0.700 peak   300 spectrum    1 weight  0.10000E+01 volume  0.16199E-01 ppm1      8.998 ppm2      5.372 CV     1
 ASSI {  303}
   (( segid "    " and resid 97   and name HN  ))
   (( segid "    " and resid 96   and name HB2 ))
      3.900     1.900     1.900 peak   303 spectrum    1 weight  0.10000E+01 volume  0.49624E-02 ppm1      9.001 ppm2      2.147 CV     1
 ASSI {  305}
   (( segid "    " and resid 97   and name HN  ))
   (( segid "    " and resid 96   and name HB1 ))
      3.800     1.800     1.800 peak   305 spectrum    1 weight  0.10000E+01 volume  0.15482E-01 ppm1      8.998 ppm2      0.956 CV     1
 ASSI {  306}
   (( segid "    " and resid 97   and name HN  ))
   (  segid "    " and resid 5    and name HG2%)
      2.600     0.800     0.800 peak   306 spectrum    1 weight  0.10000E+01 volume  0.15943E-01 ppm1      8.998 ppm2      0.854 CV     1
 ASSI {  307}
   (( segid "    " and resid 97   and name HN  ))
   (( segid "    " and resid 97   and name HB1 ))
      3.700     1.700     1.700 peak   307 spectrum    1 weight  0.10000E+01 volume  0.58299E-02 ppm1      8.996 ppm2      2.527 CV     1
 ASSI {  308}
   (( segid "    " and resid 97   and name HN  ))
   (  segid "    " and resid 6    and name HB% )
      3.300     3.300     2.700 peak   308 spectrum    1 weight  0.10000E+01 volume  0.77119E-02 ppm1      8.997 ppm2      1.775 CV     1
 ASSI {  309}
   (( segid "    " and resid 97   and name HN  ))
   (( segid "    " and resid 96   and name HG  ))
      4.600     2.700     1.400 peak   309 spectrum    1 weight  0.10000E+01 volume  0.21201E-02 ppm1      8.994 ppm2      1.654 CV     1
 ASSI {  310}
   (( segid "    " and resid 97   and name HN  ))
   (( segid "    " and resid 5    and name HG12))
      4.500     2.500     1.500 peak   310 spectrum    1 weight  0.10000E+01 volume  0.22916E-02 ppm1      8.991 ppm2      1.606 CV     1
 OR {  310}
   (( segid "    " and resid 97   and name HN  ))
   (( segid "    " and resid 5    and name HG11))
 ASSI {  312}
   (( segid "    " and resid 88   and name HN  ))
   (( segid "    " and resid 87   and name HN  ))
      3.800     1.800     1.800 peak   312 spectrum    1 weight  0.10000E+01 volume  0.42033E-02 ppm1      8.647 ppm2      8.351 CV     1
 ASSI {  314}
   (( segid "    " and resid 88   and name HN  ))
   (( segid "    " and resid 87   and name HG1 ))
      4.200     2.200     1.800 peak   314 spectrum    1 weight  0.10000E+01 volume  0.43894E-02 ppm1      8.649 ppm2      2.332 CV     1
 OR {  314}
   (( segid "    " and resid 88   and name HN  ))
   (( segid "    " and resid 87   and name HG2 ))
 ASSI {  315}
   (( segid "    " and resid 88   and name HN  ))
   (( segid "    " and resid 87   and name HB2 ))
      4.000     2.000     2.000 peak   315 spectrum    1 weight  0.10000E+01 volume  0.67491E-02 ppm1      8.649 ppm2      1.997 CV     1
 OR {  315}
   (( segid "    " and resid 88   and name HN  ))
   (( segid "    " and resid 87   and name HB1 ))
 ASSI {  316}
   (( segid "    " and resid 88   and name HN  ))
   (( segid "    " and resid 88   and name HB2 ))
      2.800     1.000     1.000 peak   316 spectrum    1 weight  0.10000E+01 volume  0.97455E-02 ppm1      8.647 ppm2      1.676 CV     1
 ASSI {  319}
   (( segid "    " and resid 88   and name HN  ))
   (( segid "    " and resid 89   and name HN  ))
      4.000     2.000     2.000 peak   319 spectrum    1 weight  0.10000E+01 volume  0.96682E-03 ppm1      8.645 ppm2      9.339 CV     1
 ASSI {  322}
   (( segid "    " and resid 88   and name HN  ))
   (( segid "    " and resid 88   and name HD1 ))
      5.700     4.000     0.300 peak   322 spectrum    1 weight  0.10000E+01 volume  0.72103E-03 ppm1      8.644 ppm2      2.905 CV     1
 ASSI {  325}
   (( segid "    " and resid 112  and name HN  ))
   (( segid "    " and resid 113  and name HN  ))
      4.600     2.600     1.400 peak   325 spectrum    1 weight  0.10000E+01 volume  0.18854E-02 ppm1      9.760 ppm2      9.375 CV     1
 ASSI {  327}
   (( segid "    " and resid 112  and name HN  ))
   (( segid "    " and resid 71   and name HN  ))
      2.700     2.700     3.300 peak   327 spectrum    1 weight  0.10000E+01 volume  0.24368E-02 ppm1      9.759 ppm2      7.770 CV     1
 ASSI {  328}
   (( segid "    " and resid 112  and name HN  ))
   (( segid "    " and resid 111  and name HN  ))
      4.700     2.800     1.300 peak   328 spectrum    1 weight  0.10000E+01 volume  0.26685E-02 ppm1      9.760 ppm2      7.644 CV     1
 ASSI {  330}
   (( segid "    " and resid 112  and name HN  ))
   (( segid "    " and resid 112  and name HA  ))
      3.100     1.200     1.200 peak   330 spectrum    1 weight  0.10000E+01 volume  0.49746E-02 ppm1      9.761 ppm2      5.235 CV     1
 ASSI {  332}
   (( segid "    " and resid 112  and name HN  ))
   (( segid "    " and resid 112  and name HB  ))
      3.200     1.300     1.300 peak   332 spectrum    1 weight  0.10000E+01 volume  0.96960E-02 ppm1      9.760 ppm2      4.363 CV     1
 ASSI {  333}
   (( segid "    " and resid 112  and name HN  ))
   (( segid "    " and resid 111  and name HA  ))
      2.200     0.600     0.600 peak   333 spectrum    1 weight  0.10000E+01 volume  0.21694E-01 ppm1      9.761 ppm2      3.901 CV     1
 ASSI {  334}
   (( segid "    " and resid 112  and name HN  ))
   (  segid "    " and resid 112  and name HG2%)
      3.500     1.600     1.600 peak   334 spectrum    1 weight  0.10000E+01 volume  0.73635E-02 ppm1      9.761 ppm2      1.443 CV     1
 ASSI {  335}
   (( segid "    " and resid 112  and name HN  ))
   (( segid "    " and resid 70   and name HG  ))
      3.500     1.500     1.500 peak   335 spectrum    1 weight  0.10000E+01 volume  0.46551E-02 ppm1      9.760 ppm2      1.380 CV     1
 ASSI {  337}
   (( segid "    " and resid 112  and name HN  ))
   (( segid "    " and resid 111  and name HB1 ))
      4.000     2.000     2.000 peak   337 spectrum    1 weight  0.10000E+01 volume  0.70719E-02 ppm1      9.760 ppm2      0.916 CV     1
 ASSI {  341}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 58   and name HN  ))
      3.100     1.200     1.200 peak   341 spectrum    1 weight  0.10000E+01 volume  0.49371E-02 ppm1      9.494 ppm2      9.076 CV     1
 ASSI {  342}
   (( segid "    " and resid 5    and name HN  ))
   (  segid "    " and resid 4    and name HD% )
      4.000     2.000     2.000 peak   342 spectrum    1 weight  0.10000E+01 volume  0.28329E-02 ppm1      9.497 ppm2      6.833 CV     1
 ASSI {  343}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 4    and name HA  ))
      2.500     0.800     0.800 peak   343 spectrum    1 weight  0.10000E+01 volume  0.16071E-01 ppm1      9.497 ppm2      5.565 CV     1
 ASSI {  344}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 59   and name HA  ))
      3.700     1.700     1.700 peak   344 spectrum    1 weight  0.10000E+01 volume  0.74459E-02 ppm1      9.497 ppm2      4.851 CV     1
 ASSI {  346}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 5    and name HB  ))
      2.800     1.000     1.000 peak   346 spectrum    1 weight  0.10000E+01 volume  0.89491E-02 ppm1      9.495 ppm2      1.762 CV     1
 ASSI {  347}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 5    and name HG11))
      3.300     1.300     1.300 peak   347 spectrum    1 weight  0.10000E+01 volume  0.62838E-02 ppm1      9.495 ppm2      1.575 CV     1
 OR {  347}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 5    and name HG12))
 ASSI {  349}
   (( segid "    " and resid 5    and name HN  ))
   (  segid "    " and resid 58   and name HG2%)
      3.100     1.200     1.200 peak   349 spectrum    1 weight  0.10000E+01 volume  0.11290E-01 ppm1      9.496 ppm2      1.003 CV     1
 OR {  349}
   (( segid "    " and resid 5    and name HN  ))
   (  segid "    " and resid 58   and name HG1%)
 ASSI {  351}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 60   and name HN  ))
      4.400     2.400     1.600 peak   351 spectrum    1 weight  0.10000E+01 volume  0.40414E-02 ppm1      9.490 ppm2      9.322 CV     1
 ASSI {  352}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 58   and name HA  ))
      4.400     2.400     1.600 peak   352 spectrum    1 weight  0.10000E+01 volume  0.23424E-02 ppm1      9.489 ppm2      5.017 CV     1
 ASSI {  353}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 4    and name HB1 ))
      3.800     1.800     1.800 peak   353 spectrum    1 weight  0.10000E+01 volume  0.53185E-02 ppm1      9.491 ppm2      2.730 CV     1
 ASSI {  354}
   (( segid "    " and resid 5    and name HN  ))
   (  segid "    " and resid 57   and name HB% )
      5.000     3.100     1.000 peak   354 spectrum    1 weight  0.10000E+01 volume  0.12755E-02 ppm1      9.489 ppm2      1.359 CV     1
 ASSI {  356}
   (( segid "    " and resid 116  and name HN  ))
   (  segid "    " and resid 116  and name HD% )
      2.600     2.600     3.400 peak   356 spectrum    1 weight  0.10000E+01 volume  0.10232E-01 ppm1      8.412 ppm2      6.643 CV     1
 ASSI {  357}
   (( segid "    " and resid 116  and name HN  ))
   (( segid "    " and resid 115  and name HA  ))
      2.900     1.000     1.000 peak   357 spectrum    1 weight  0.10000E+01 volume  0.57979E-02 ppm1      8.412 ppm2      4.588 CV     1
 ASSI {  360}
   (( segid "    " and resid 116  and name HN  ))
   (( segid "    " and resid 116  and name HA  ))
      3.100     1.200     1.200 peak   360 spectrum    1 weight  0.10000E+01 volume  0.57972E-02 ppm1      8.408 ppm2      4.188 CV     1
 ASSI {  361}
   (( segid "    " and resid 116  and name HN  ))
   (( segid "    " and resid 115  and name HB1 ))
      3.700     1.700     1.700 peak   361 spectrum    1 weight  0.10000E+01 volume  0.61188E-02 ppm1      8.409 ppm2      3.013 CV     1
 ASSI {  363}
   (( segid "    " and resid 137  and name HN  ))
   (( segid "    " and resid 137  and name HB2 ))
      2.700     0.900     0.900 peak   363 spectrum    1 weight  0.10000E+01 volume  0.47697E-02 ppm1      9.232 ppm2      3.353 CV     1
 ASSI {  365}
   (( segid "    " and resid 137  and name HN  ))
   (( segid "    " and resid 136  and name HN  ))
      3.600     1.600     1.600 peak   365 spectrum    1 weight  0.10000E+01 volume  0.48981E-02 ppm1      9.227 ppm2      8.408 CV     1
 ASSI {  367}
   (( segid "    " and resid 137  and name HN  ))
   (  segid "    " and resid 137  and name HD% )
      2.400     0.700     0.700 peak   367 spectrum    1 weight  0.10000E+01 volume  0.78043E-02 ppm1      9.228 ppm2      7.328 CV     1
 ASSI {  369}
   (( segid "    " and resid 137  and name HN  ))
   (( segid "    " and resid 142  and name HA  ))
      3.300     1.400     1.400 peak   369 spectrum    1 weight  0.10000E+01 volume  0.49730E-02 ppm1      9.229 ppm2      4.787 CV     1
 ASSI {  370}
   (( segid "    " and resid 137  and name HN  ))
   (( segid "    " and resid 136  and name HA  ))
      2.100     0.600     0.600 peak   370 spectrum    1 weight  0.10000E+01 volume  0.13324E-01 ppm1      9.229 ppm2      4.503 CV     1
 ASSI {  371}
   (( segid "    " and resid 137  and name HN  ))
   (( segid "    " and resid 137  and name HA  ))
      2.900     1.000     1.000 peak   371 spectrum    1 weight  0.10000E+01 volume  0.80663E-02 ppm1      9.229 ppm2      4.311 CV     1
 ASSI {  372}
   (( segid "    " and resid 137  and name HN  ))
   (( segid "    " and resid 138  and name HD2 ))
      4.700     2.700     1.300 peak   372 spectrum    1 weight  0.10000E+01 volume  0.58930E-02 ppm1      9.226 ppm2      4.022 CV     1
 OR {  372}
   (( segid "    " and resid 137  and name HN  ))
   (( segid "    " and resid 138  and name HD1 ))
 ASSI {  373}
   (( segid "    " and resid 137  and name HN  ))
   (( segid "    " and resid 137  and name HB1 ))
      3.600     1.600     1.600 peak   373 spectrum    1 weight  0.10000E+01 volume  0.91400E-02 ppm1      9.229 ppm2      3.260 CV     1
 ASSI {  374}
   (( segid "    " and resid 137  and name HN  ))
   (( segid "    " and resid 139  and name HB1 ))
      6.000     4.700     0.000 peak   374 spectrum    1 weight  0.10000E+01 volume  0.98251E-03 ppm1      9.224 ppm2      2.641 CV     1
 ASSI {  375}
   (( segid "    " and resid 137  and name HN  ))
   (( segid "    " and resid 136  and name HB  ))
      3.800     1.800     1.800 peak   375 spectrum    1 weight  0.10000E+01 volume  0.63578E-02 ppm1      9.228 ppm2      1.938 CV     1
 ASSI {  376}
   (( segid "    " and resid 137  and name HN  ))
   (  segid "    " and resid 136  and name HG2%)
      2.600     0.800     0.800 peak   376 spectrum    1 weight  0.10000E+01 volume  0.17459E-01 ppm1      9.227 ppm2      1.031 CV     1
 OR {  376}
   (( segid "    " and resid 137  and name HN  ))
   (  segid "    " and resid 136  and name HG1%)
 ASSI {  379}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 158  and name HE3 ))
      4.700     2.800     1.300 peak   379 spectrum    1 weight  0.10000E+01 volume  0.30699E-02 ppm1      8.829 ppm2      7.392 CV     1
 ASSI {  380}
   (( segid "    " and resid 41   and name HN  ))
   (  segid "    " and resid 40   and name HD% )
      4.200     2.200     1.800 peak   380 spectrum    1 weight  0.10000E+01 volume  0.36926E-02 ppm1      8.829 ppm2      7.049 CV     1
 ASSI {  382}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 41   and name HA  ))
      3.400     1.500     1.500 peak   382 spectrum    1 weight  0.10000E+01 volume  0.25943E-02 ppm1      8.832 ppm2      6.085 CV     1
 ASSI {  383}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 40   and name HA  ))
      2.400     0.700     0.700 peak   383 spectrum    1 weight  0.10000E+01 volume  0.12736E-01 ppm1      8.830 ppm2      5.251 CV     1
 ASSI {  384}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 157  and name HA  ))
      3.200     1.300     1.300 peak   384 spectrum    1 weight  0.10000E+01 volume  0.68076E-02 ppm1      8.830 ppm2      4.495 CV     1
 ASSI {  385}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 158  and name HA  ))
      3.900     1.900     1.900 peak   385 spectrum    1 weight  0.10000E+01 volume  0.32852E-02 ppm1      8.831 ppm2      3.961 CV     1
 ASSI {  387}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 41   and name HD2 ))
      4.100     2.100     1.900 peak   387 spectrum    1 weight  0.10000E+01 volume  0.68749E-02 ppm1      8.830 ppm2      2.844 CV     1
 ASSI {  388}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 40   and name HB1 ))
      3.100     1.200     1.200 peak   388 spectrum    1 weight  0.10000E+01 volume  0.78217E-02 ppm1      8.828 ppm2      2.701 CV     1
 ASSI {  389}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 41   and name HB1 ))
      2.500     0.800     0.800 peak   389 spectrum    1 weight  0.10000E+01 volume  0.14024E-01 ppm1      8.829 ppm2      1.739 CV     1
 OR {  389}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 41   and name HB2 ))
 ASSI {  392}
   (( segid "    " and resid 153  and name HN  ))
   (( segid "    " and resid 154  and name HN  ))
      3.100     1.200     1.200 peak   392 spectrum    1 weight  0.10000E+01 volume  0.68470E-02 ppm1      8.744 ppm2      8.304 CV     1
 ASSI {  393}
   (( segid "    " and resid 153  and name HN  ))
   (( segid "    " and resid 152  and name HN  ))
      3.500     1.500     1.500 peak   393 spectrum    1 weight  0.10000E+01 volume  0.50625E-02 ppm1      8.743 ppm2      7.210 CV     1
 ASSI {  394}
   (( segid "    " and resid 153  and name HN  ))
   (  segid "    " and resid 152  and name HD% )
      3.700     1.700     1.700 peak   394 spectrum    1 weight  0.10000E+01 volume  0.83298E-02 ppm1      8.745 ppm2      7.049 CV     1
 ASSI {  396}
   (( segid "    " and resid 153  and name HN  ))
   (( segid "    " and resid 151  and name HA  ))
      3.800     1.800     1.800 peak   396 spectrum    1 weight  0.10000E+01 volume  0.36427E-02 ppm1      8.743 ppm2      4.099 CV     1
 ASSI {  397}
   (( segid "    " and resid 153  and name HN  ))
   (( segid "    " and resid 152  and name HB2 ))
      3.500     1.500     1.500 peak   397 spectrum    1 weight  0.10000E+01 volume  0.10320E-01 ppm1      8.742 ppm2      3.379 CV     1
 ASSI {  400}
   (( segid "    " and resid 153  and name HN  ))
   (( segid "    " and resid 154  and name HB2 ))
      4.700     2.800     1.300 peak   400 spectrum    1 weight  0.10000E+01 volume  0.32800E-02 ppm1      8.742 ppm2      1.420 CV     1
 OR {  400}
   (( segid "    " and resid 153  and name HN  ))
   (( segid "    " and resid 154  and name HB1 ))
 ASSI {  402}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 19   and name HA  ))
      3.700     1.700     1.700 peak   402 spectrum    1 weight  0.10000E+01 volume  0.51529E-02 ppm1      8.468 ppm2      4.601 CV     1
 ASSI {  405}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 60   and name HA  ))
      5.000     3.100     1.000 peak   405 spectrum    1 weight  0.10000E+01 volume  0.17660E-02 ppm1      9.246 ppm2      4.768 CV     1
 ASSI {  408}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 32   and name HA  ))
      2.300     0.700     0.700 peak   408 spectrum    1 weight  0.10000E+01 volume  0.25432E-01 ppm1      9.240 ppm2      4.920 CV     1
 ASSI {  409}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 26   and name HA1 ))
      4.400     2.400     1.600 peak   409 spectrum    1 weight  0.10000E+01 volume  0.97043E-02 ppm1      9.243 ppm2      3.876 CV     1
 ASSI {  410}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 32   and name HB2 ))
      4.300     2.300     1.700 peak   410 spectrum    1 weight  0.10000E+01 volume  0.56207E-02 ppm1      9.240 ppm2      3.352 CV     1
 ASSI {  411}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 32   and name HB1 ))
      3.600     1.700     1.700 peak   411 spectrum    1 weight  0.10000E+01 volume  0.76537E-02 ppm1      9.241 ppm2      3.159 CV     1
 ASSI {  412}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 33   and name HB  ))
      2.100     0.600     0.600 peak   412 spectrum    1 weight  0.10000E+01 volume  0.23277E-01 ppm1      9.241 ppm2      1.766 CV     1
 ASSI {  413}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 33   and name HG11))
      3.100     1.200     1.200 peak   413 spectrum    1 weight  0.10000E+01 volume  0.13963E-01 ppm1      9.240 ppm2      1.587 CV     1
 OR {  413}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 33   and name HG12))
 ASSI {  415}
   (( segid "    " and resid 153  and name HN  ))
   (( segid "    " and resid 126  and name HA  ))
      2.700     2.700     3.300 peak   415 spectrum    1 weight  0.10000E+01 volume  0.25667E-02 ppm1      8.748 ppm2      4.808 CV     1
 ASSI {  416}
   (( segid "    " and resid 153  and name HN  ))
   (( segid "    " and resid 154  and name HG2 ))
      5.100     3.200     0.900 peak   416 spectrum    1 weight  0.10000E+01 volume  0.19126E-02 ppm1      8.745 ppm2      0.768 CV     1
 ASSI {  417}
   (( segid "    " and resid 115  and name HN  ))
   (( segid "    " and resid 99   and name HN  ))
      3.600     3.600     2.400 peak   417 spectrum    1 weight  0.10000E+01 volume  0.49724E-03 ppm1      8.653 ppm2      9.580 CV     1
 ASSI {  419}
   (( segid "    " and resid 115  and name HN  ))
   (( segid "    " and resid 114  and name HA  ))
      2.600     0.800     0.800 peak   419 spectrum    1 weight  0.10000E+01 volume  0.11340E-01 ppm1      8.654 ppm2      5.455 CV     1
 ASSI {  420}
   (( segid "    " and resid 115  and name HN  ))
   (( segid "    " and resid 100  and name HA  ))
      4.800     2.900     1.200 peak   420 spectrum    1 weight  0.10000E+01 volume  0.32905E-02 ppm1      8.652 ppm2      4.828 CV     1
 ASSI {  422}
   (( segid "    " and resid 115  and name HN  ))
   (( segid "    " and resid 99   and name HA  ))
      2.900     1.000     1.000 peak   422 spectrum    1 weight  0.10000E+01 volume  0.11665E-01 ppm1      8.653 ppm2      4.575 CV     1
 ASSI {  423}
   (( segid "    " and resid 115  and name HN  ))
   (( segid "    " and resid 113  and name HA  ))
      2.900     2.900     3.100 peak   423 spectrum    1 weight  0.10000E+01 volume  0.96899E-02 ppm1      8.655 ppm2      4.326 CV     1
 ASSI {  424}
   (( segid "    " and resid 115  and name HN  ))
   (( segid "    " and resid 114  and name HD1 ))
      5.800     4.200     0.200 peak   424 spectrum    1 weight  0.10000E+01 volume  0.45163E-03 ppm1      8.650 ppm2      4.153 CV     1
 ASSI {  425}
   (( segid "    " and resid 115  and name HN  ))
   (( segid "    " and resid 115  and name HB2 ))
      3.000     1.200     1.200 peak   425 spectrum    1 weight  0.10000E+01 volume  0.76019E-02 ppm1      8.655 ppm2      3.782 CV     1
 ASSI {  426}
   (( segid "    " and resid 115  and name HN  ))
   (( segid "    " and resid 118  and name HG2 ))
      5.300     3.500     0.700 peak   426 spectrum    1 weight  0.10000E+01 volume  0.46131E-03 ppm1      8.651 ppm2      3.320 CV     1
 OR {  426}
   (( segid "    " and resid 115  and name HN  ))
   (( segid "    " and resid 118  and name HG1 ))
 ASSI {  428}
   (( segid "    " and resid 115  and name HN  ))
   (( segid "    " and resid 114  and name HB1 ))
      4.500     2.500     1.500 peak   428 spectrum    1 weight  0.10000E+01 volume  0.37758E-02 ppm1      8.654 ppm2      2.855 CV     1
 ASSI {  430}
   (( segid "    " and resid 115  and name HN  ))
   (( segid "    " and resid 114  and name HB2 ))
      4.100     2.100     1.900 peak   430 spectrum    1 weight  0.10000E+01 volume  0.61487E-02 ppm1      8.652 ppm2      2.096 CV     1
 ASSI {  431}
   (( segid "    " and resid 115  and name HN  ))
   (( segid "    " and resid 118  and name HB1 ))
      3.400     3.400     2.600 peak   431 spectrum    1 weight  0.10000E+01 volume  0.58426E-02 ppm1      8.653 ppm2      1.959 CV     1
 OR {  431}
   (( segid "    " and resid 115  and name HN  ))
   (( segid "    " and resid 118  and name HB2 ))
 ASSI {  434}
   (( segid "    " and resid 115  and name HN  ))
   (( segid "    " and resid 117  and name HB2 ))
      3.300     3.300     2.700 peak   434 spectrum    1 weight  0.10000E+01 volume  0.59140E-02 ppm1      8.653 ppm2      0.880 CV     1
 ASSI {  437}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 20   and name HN  ))
      2.400     0.700     0.700 peak   437 spectrum    1 weight  0.10000E+01 volume  0.18932E-01 ppm1      8.480 ppm2      8.138 CV     1
 ASSI {  442}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 18   and name HA  ))
      3.300     1.400     1.400 peak   442 spectrum    1 weight  0.10000E+01 volume  0.72227E-02 ppm1      8.479 ppm2      3.425 CV     1
 ASSI {  443}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 19   and name HB2 ))
      5.200     3.400     0.800 peak   443 spectrum    1 weight  0.10000E+01 volume  0.14090E-02 ppm1      8.480 ppm2      2.871 CV     1
 ASSI {  444}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 22   and name HG  ))
      3.800     1.800     1.800 peak   444 spectrum    1 weight  0.10000E+01 volume  0.62170E-02 ppm1      8.480 ppm2      1.921 CV     1
 ASSI {  447}
   (( segid "    " and resid 21   and name HN  ))
   (  segid "    " and resid 18   and name HG2%)
      5.100     3.200     0.900 peak   447 spectrum    1 weight  0.10000E+01 volume  0.20594E-02 ppm1      8.479 ppm2      0.229 CV     1
 ASSI {  452}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 11   and name HN  ))
      2.300     0.700     0.700 peak   452 spectrum    1 weight  0.10000E+01 volume  0.11874E-01 ppm1      8.457 ppm2      6.976 CV     1
 ASSI {  454}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 94   and name HA  ))
      5.700     4.100     0.300 peak   454 spectrum    1 weight  0.10000E+01 volume  0.71332E-03 ppm1      8.463 ppm2      4.832 CV     1
 ASSI {  461}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 35   and name HA  ))
      2.300     0.600     0.600 peak   461 spectrum    1 weight  0.10000E+01 volume  0.53750E-01 ppm1      8.316 ppm2      4.624 CV     1
 ASSI {  462}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 35   and name HB  ))
      2.600     0.900     0.900 peak   462 spectrum    1 weight  0.10000E+01 volume  0.10029E-01 ppm1      8.315 ppm2      4.105 CV     1
 ASSI {  463}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 36   and name HB  ))
      2.500     0.800     0.800 peak   463 spectrum    1 weight  0.10000E+01 volume  0.22971E-01 ppm1      8.316 ppm2      1.960 CV     1
 ASSI {  464}
   (( segid "    " and resid 36   and name HN  ))
   (  segid "    " and resid 35   and name HG2%)
      3.500     1.600     1.600 peak   464 spectrum    1 weight  0.10000E+01 volume  0.32495E-01 ppm1      8.316 ppm2      1.288 CV     1
 ASSI {  471}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 27   and name HB2 ))
      4.800     2.900     1.200 peak   471 spectrum    1 weight  0.10000E+01 volume  0.42342E-02 ppm1      7.164 ppm2      2.938 CV     1
 ASSI {  475}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 27   and name HA  ))
      2.900     1.100     1.100 peak   475 spectrum    1 weight  0.10000E+01 volume  0.73087E-02 ppm1      7.160 ppm2      4.947 CV     1
 ASSI {  476}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 28   and name HA  ))
      2.500     0.800     0.800 peak   476 spectrum    1 weight  0.10000E+01 volume  0.20501E-01 ppm1      7.160 ppm2      3.821 CV     1
 ASSI {  477}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 31   and name HB2 ))
      3.500     1.500     1.500 peak   477 spectrum    1 weight  0.10000E+01 volume  0.52803E-02 ppm1      7.160 ppm2      3.628 CV     1
 OR {  477}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 31   and name HB1 ))
 ASSI {  479}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 27   and name HB1 ))
      4.500     2.600     1.500 peak   479 spectrum    1 weight  0.10000E+01 volume  0.59474E-02 ppm1      7.160 ppm2      2.592 CV     1
 ASSI {  480}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 28   and name HG12))
      3.400     1.400     1.400 peak   480 spectrum    1 weight  0.10000E+01 volume  0.87932E-02 ppm1      7.160 ppm2      2.088 CV     1
 OR {  480}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 28   and name HG11))
 ASSI {  481}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 28   and name HB  ))
      2.400     0.700     0.700 peak   481 spectrum    1 weight  0.10000E+01 volume  0.17371E-01 ppm1      7.160 ppm2      1.576 CV     1
 ASSI {  484}
   (( segid "    " and resid 28   and name HN  ))
   (  segid "    " and resid 60   and name HD1%)
      2.700     2.700     3.300 peak   484 spectrum    1 weight  0.10000E+01 volume  0.34978E-01 ppm1      7.160 ppm2      0.773 CV     1
 ASSI {  485}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 63   and name HN  ))
      2.000     0.500     0.500 peak   485 spectrum    1 weight  0.10000E+01 volume  0.14961E-01 ppm1      8.545 ppm2      8.255 CV     1
 ASSI {  486}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 31   and name HN  ))
      5.800     4.200     0.200 peak   486 spectrum    1 weight  0.10000E+01 volume  0.63282E-03 ppm1      8.544 ppm2      7.252 CV     1
 ASSI {  488}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 62   and name HA  ))
      4.000     2.000     2.000 peak   488 spectrum    1 weight  0.10000E+01 volume  0.64128E-02 ppm1      8.547 ppm2      5.522 CV     1
 ASSI {  489}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 63   and name HA  ))
      3.500     1.500     1.500 peak   489 spectrum    1 weight  0.10000E+01 volume  0.38942E-02 ppm1      8.544 ppm2      4.993 CV     1
 ASSI {  493}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 64   and name HA  ))
      2.700     0.900     0.900 peak   493 spectrum    1 weight  0.10000E+01 volume  0.92349E-02 ppm1      8.544 ppm2      4.224 CV     1
 ASSI {  494}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 63   and name HB2 ))
      4.000     2.000     2.000 peak   494 spectrum    1 weight  0.10000E+01 volume  0.45398E-02 ppm1      8.544 ppm2      4.051 CV     1
 OR {  494}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 63   and name HB1 ))
 ASSI {  495}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 62   and name HB  ))
      4.200     2.200     1.800 peak   495 spectrum    1 weight  0.10000E+01 volume  0.38982E-02 ppm1      8.546 ppm2      3.845 CV     1
 ASSI {  497}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 31   and name HB2 ))
      4.500     2.500     1.500 peak   497 spectrum    1 weight  0.10000E+01 volume  0.18508E-02 ppm1      8.545 ppm2      3.615 CV     1
 ASSI {  498}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 30   and name HB2 ))
      3.800     1.800     1.800 peak   498 spectrum    1 weight  0.10000E+01 volume  0.32554E-02 ppm1      8.543 ppm2      2.415 CV     1
 ASSI {  499}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 30   and name HG2 ))
      4.900     3.000     1.100 peak   499 spectrum    1 weight  0.10000E+01 volume  0.26469E-02 ppm1      8.545 ppm2      2.182 CV     1
 ASSI {  500}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 30   and name HB1 ))
      3.800     1.800     1.800 peak   500 spectrum    1 weight  0.10000E+01 volume  0.36580E-02 ppm1      8.545 ppm2      1.993 CV     1
 ASSI {  501}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 64   and name HB2 ))
      2.400     0.700     0.700 peak   501 spectrum    1 weight  0.10000E+01 volume  0.10981E-01 ppm1      8.546 ppm2      1.741 CV     1
 ASSI {  502}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 64   and name HB1 ))
      2.400     0.700     0.700 peak   502 spectrum    1 weight  0.10000E+01 volume  0.22644E-01 ppm1      8.544 ppm2      1.483 CV     1
 ASSI {  503}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 60   and name HG  ))
      5.000     3.100     1.000 peak   503 spectrum    1 weight  0.10000E+01 volume  0.39529E-02 ppm1      8.544 ppm2      1.301 CV     1
 ASSI {  505}
   (( segid "    " and resid 64   and name HN  ))
   (  segid "    " and resid 64   and name HD2%)
      3.300     1.400     1.400 peak   505 spectrum    1 weight  0.10000E+01 volume  0.22519E-01 ppm1      8.544 ppm2      0.729 CV     1
 OR {  505}
   (( segid "    " and resid 64   and name HN  ))
   (  segid "    " and resid 64   and name HD1%)
 ASSI {  506}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 18   and name HN  ))
      4.600     2.600     1.400 peak   506 spectrum    1 weight  0.10000E+01 volume  0.17367E-02 ppm1      8.145 ppm2      8.732 CV     1
 ASSI {  508}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 80   and name HE22))
      3.900     1.900     1.900 peak   508 spectrum    1 weight  0.10000E+01 volume  0.34090E-02 ppm1      8.145 ppm2      7.892 CV     1
 ASSI {  510}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 23   and name HN  ))
      3.600     1.600     1.600 peak   510 spectrum    1 weight  0.10000E+01 volume  0.65638E-02 ppm1      8.145 ppm2      7.421 CV     1
 ASSI {  511}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 19   and name HD22))
      3.200     3.200     2.800 peak   511 spectrum    1 weight  0.10000E+01 volume  0.91875E-03 ppm1      8.145 ppm2      6.786 CV     1
 ASSI {  512}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 19   and name HA  ))
      3.600     1.600     1.600 peak   512 spectrum    1 weight  0.10000E+01 volume  0.57617E-02 ppm1      8.146 ppm2      4.585 CV     1
 ASSI {  515}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 18   and name HA  ))
      4.300     2.300     1.700 peak   515 spectrum    1 weight  0.10000E+01 volume  0.24694E-02 ppm1      8.146 ppm2      3.423 CV     1
 ASSI {  516}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 19   and name HB2 ))
      2.500     0.800     0.800 peak   516 spectrum    1 weight  0.10000E+01 volume  0.10509E-01 ppm1      8.145 ppm2      2.848 CV     1
 ASSI {  517}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 19   and name HB1 ))
      3.500     1.500     1.500 peak   517 spectrum    1 weight  0.10000E+01 volume  0.10525E-01 ppm1      8.145 ppm2      2.681 CV     1
 ASSI {  519}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 17   and name HB1 ))
      4.200     2.200     1.800 peak   519 spectrum    1 weight  0.10000E+01 volume  0.41307E-02 ppm1      8.145 ppm2      2.132 CV     1
 OR {  519}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 17   and name HB2 ))
 ASSI {  520}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 23   and name HB2 ))
      4.100     2.100     1.900 peak   520 spectrum    1 weight  0.10000E+01 volume  0.43321E-02 ppm1      8.144 ppm2      1.954 CV     1
 OR {  520}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 23   and name HB1 ))
 ASSI {  528}
   (( segid "    " and resid 117  and name HN  ))
   (( segid "    " and resid 124  and name HB2 ))
      6.000     6.000     0.000 peak   528 spectrum    1 weight  0.10000E+01 volume  0.89552E-03 ppm1      8.019 ppm2      2.155 CV     1
 OR {  528}
   (( segid "    " and resid 117  and name HN  ))
   (( segid "    " and resid 124  and name HB1 ))
 ASSI {  531}
   (( segid "    " and resid 86   and name HN  ))
   (( segid "    " and resid 85   and name HA  ))
      2.900     1.100     1.100 peak   531 spectrum    1 weight  0.10000E+01 volume  0.14891E-01 ppm1      7.742 ppm2      4.434 CV     1
 ASSI {  532}
   (( segid "    " and resid 86   and name HN  ))
   (( segid "    " and resid 86   and name HA  ))
      3.000     1.100     1.100 peak   532 spectrum    1 weight  0.10000E+01 volume  0.11788E-01 ppm1      7.741 ppm2      4.306 CV     1
 ASSI {  534}
   (( segid "    " and resid 86   and name HN  ))
   (( segid "    " and resid 85   and name HB1 ))
      3.200     1.300     1.300 peak   534 spectrum    1 weight  0.10000E+01 volume  0.77448E-02 ppm1      7.742 ppm2      1.985 CV     1
 ASSI {  535}
   (( segid "    " and resid 86   and name HN  ))
   (( segid "    " and resid 85   and name HB2 ))
      3.200     1.300     1.300 peak   535 spectrum    1 weight  0.10000E+01 volume  0.65307E-02 ppm1      7.741 ppm2      1.776 CV     1
 ASSI {  536}
   (( segid "    " and resid 86   and name HN  ))
   (  segid "    " and resid 86   and name HB% )
      2.600     0.900     0.900 peak   536 spectrum    1 weight  0.10000E+01 volume  0.30865E-01 ppm1      7.742 ppm2      1.439 CV     1
 ASSI {  541}
   (( segid "    " and resid 142  and name HN  ))
   (( segid "    " and resid 142  and name HA  ))
      2.600     0.900     0.900 peak   541 spectrum    1 weight  0.10000E+01 volume  0.77285E-02 ppm1      9.275 ppm2      4.790 CV     1
 ASSI {  542}
   (( segid "    " and resid 142  and name HN  ))
   (( segid "    " and resid 141  and name HA  ))
      2.000     0.500     0.500 peak   542 spectrum    1 weight  0.10000E+01 volume  0.40324E-01 ppm1      9.272 ppm2      4.288 CV     1
 ASSI {  543}
   (( segid "    " and resid 142  and name HN  ))
   (( segid "    " and resid 143  and name HA  ))
      5.500     3.800     0.500 peak   543 spectrum    1 weight  0.10000E+01 volume  0.62949E-03 ppm1      9.273 ppm2      4.108 CV     1
 ASSI {  545}
   (( segid "    " and resid 142  and name HN  ))
   (( segid "    " and resid 142  and name HB2 ))
      2.200     0.600     0.600 peak   545 spectrum    1 weight  0.10000E+01 volume  0.21865E-01 ppm1      9.273 ppm2      2.270 CV     1
 ASSI {  548}
   (( segid "    " and resid 142  and name HN  ))
   (( segid "    " and resid 146  and name HG11))
      4.600     2.600     1.400 peak   548 spectrum    1 weight  0.10000E+01 volume  0.15680E-02 ppm1      9.274 ppm2      1.605 CV     1
 ASSI {  551}
   (( segid "    " and resid 142  and name HN  ))
   (( segid "    " and resid 143  and name HN  ))
      4.200     2.300     1.800 peak   551 spectrum    1 weight  0.10000E+01 volume  0.29860E-02 ppm1      9.269 ppm2      8.440 CV     1
 ASSI {  553}
   (( segid "    " and resid 142  and name HN  ))
   (( segid "    " and resid 142  and name HG2 ))
      3.200     1.300     1.300 peak   553 spectrum    1 weight  0.10000E+01 volume  0.68185E-02 ppm1      9.270 ppm2      2.659 CV     1
 ASSI {  554}
   (( segid "    " and resid 142  and name HN  ))
   (( segid "    " and resid 145  and name HG1 ))
      4.100     2.100     1.900 peak   554 spectrum    1 weight  0.10000E+01 volume  0.40556E-02 ppm1      9.268 ppm2      2.477 CV     1
 OR {  554}
   (( segid "    " and resid 142  and name HN  ))
   (( segid "    " and resid 145  and name HG2 ))
 ASSI {  555}
   (( segid "    " and resid 117  and name HN  ))
   (( segid "    " and resid 116  and name HN  ))
      4.900     3.000     1.100 peak   555 spectrum    1 weight  0.10000E+01 volume  0.85867E-03 ppm1      8.015 ppm2      8.410 CV     1
 ASSI {  559}
   (( segid "    " and resid 117  and name HN  ))
   (( segid "    " and resid 120  and name HD22))
      3.600     1.600     1.600 peak   559 spectrum    1 weight  0.10000E+01 volume  0.53875E-02 ppm1      8.011 ppm2      6.889 CV     1
 ASSI {  560}
   (( segid "    " and resid 117  and name HN  ))
   (  segid "    " and resid 116  and name HD% )
      2.400     2.400     3.600 peak   560 spectrum    1 weight  0.10000E+01 volume  0.49708E-02 ppm1      8.011 ppm2      6.640 CV     1
 ASSI {  561}
   (( segid "    " and resid 117  and name HN  ))
   (( segid "    " and resid 117  and name HA  ))
      3.200     1.300     1.300 peak   561 spectrum    1 weight  0.10000E+01 volume  0.46565E-02 ppm1      8.011 ppm2      5.085 CV     1
 ASSI {  563}
   (( segid "    " and resid 117  and name HN  ))
   (( segid "    " and resid 118  and name HA  ))
      5.600     4.000     0.400 peak   563 spectrum    1 weight  0.10000E+01 volume  0.76610E-03 ppm1      8.011 ppm2      3.869 CV     1
 ASSI {  564}
   (( segid "    " and resid 117  and name HN  ))
   (( segid "    " and resid 118  and name HG2 ))
      4.600     2.700     1.400 peak   564 spectrum    1 weight  0.10000E+01 volume  0.13784E-02 ppm1      8.008 ppm2      3.322 CV     1
 OR {  564}
   (( segid "    " and resid 117  and name HN  ))
   (( segid "    " and resid 118  and name HG1 ))
 ASSI {  567}
   (( segid "    " and resid 117  and name HN  ))
   (( segid "    " and resid 119  and name HG2 ))
      3.500     1.500     1.500 peak   567 spectrum    1 weight  0.10000E+01 volume  0.17489E-02 ppm1      8.012 ppm2      1.337 CV     1
 ASSI {  568}
   (( segid "    " and resid 117  and name HN  ))
   (( segid "    " and resid 117  and name HB2 ))
      3.400     1.500     1.500 peak   568 spectrum    1 weight  0.10000E+01 volume  0.60501E-02 ppm1      8.010 ppm2      0.873 CV     1
 ASSI {  569}
   (( segid "    " and resid 117  and name HN  ))
   (( segid "    " and resid 116  and name HA  ))
      4.200     2.300     1.800 peak   569 spectrum    1 weight  0.10000E+01 volume  0.51259E-03 ppm1      8.004 ppm2      4.204 CV     1
 ASSI {  581}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 40   and name HN  ))
      3.400     1.400     1.400 peak   581 spectrum    1 weight  0.10000E+01 volume  0.46682E-02 ppm1      9.401 ppm2      9.109 CV     1
 ASSI {  582}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 158  and name HE3 ))
      3.200     3.200     2.800 peak   582 spectrum    1 weight  0.10000E+01 volume  0.85207E-03 ppm1      9.409 ppm2      7.396 CV     1
 ASSI {  585}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 55   and name HA  ))
      3.500     1.500     1.500 peak   585 spectrum    1 weight  0.10000E+01 volume  0.32632E-02 ppm1      9.405 ppm2      6.220 CV     1
 ASSI {  586}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 54   and name HA  ))
      2.500     0.800     0.800 peak   586 spectrum    1 weight  0.10000E+01 volume  0.13215E-01 ppm1      9.405 ppm2      5.479 CV     1
 ASSI {  589}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 40   and name HB2 ))
      3.700     1.700     1.700 peak   589 spectrum    1 weight  0.10000E+01 volume  0.19973E-02 ppm1      9.404 ppm2      3.065 CV     1
 ASSI {  592}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 54   and name HB2 ))
      4.200     2.200     1.800 peak   592 spectrum    1 weight  0.10000E+01 volume  0.75270E-02 ppm1      9.409 ppm2      0.958 CV     1
 ASSI {  593}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 54   and name HB1 ))
      5.500     3.800     0.500 peak   593 spectrum    1 weight  0.10000E+01 volume  0.96375E-03 ppm1      9.403 ppm2      0.375 CV     1
 ASSI {  594}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 54   and name HG  ))
      3.100     1.200     1.200 peak   594 spectrum    1 weight  0.10000E+01 volume  0.96087E-02 ppm1      9.404 ppm2      0.231 CV     1
 ASSI {  595}
   (( segid "    " and resid 55   and name HN  ))
   (  segid "    " and resid 54   and name HD1%)
      4.500     2.500     1.500 peak   595 spectrum    1 weight  0.10000E+01 volume  0.24523E-02 ppm1      9.405 ppm2     -0.641 CV     1
 ASSI {  597}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 41   and name HA  ))
      4.300     2.300     1.700 peak   597 spectrum    1 weight  0.10000E+01 volume  0.14437E-02 ppm1      9.396 ppm2      6.067 CV     1
 ASSI {  600}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 58   and name HA  ))
      2.800     1.000     1.000 peak   600 spectrum    1 weight  0.10000E+01 volume  0.12064E-01 ppm1      9.128 ppm2      5.039 CV     1
 ASSI {  601}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 36   and name HA  ))
      2.300     0.600     0.600 peak   601 spectrum    1 weight  0.10000E+01 volume  0.24746E-01 ppm1      9.129 ppm2      4.835 CV     1
 ASSI {  603}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 37   and name HA  ))
      3.200     1.300     1.300 peak   603 spectrum    1 weight  0.10000E+01 volume  0.60490E-02 ppm1      9.128 ppm2      4.265 CV     1
 ASSI {  604}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 37   and name HB1 ))
      2.800     1.000     1.000 peak   604 spectrum    1 weight  0.10000E+01 volume  0.82482E-02 ppm1      9.128 ppm2      4.077 CV     1
 ASSI {  607}
   (( segid "    " and resid 37   and name HN  ))
   (  segid "    " and resid 36   and name HG1%)
      3.000     1.200     1.200 peak   607 spectrum    1 weight  0.10000E+01 volume  0.10885E-01 ppm1      9.128 ppm2      1.105 CV     1
 ASSI {  609}
   (( segid "    " and resid 37   and name HN  ))
   (  segid "    " and resid 131  and name HG2%)
      2.700     0.900     0.900 peak   609 spectrum    1 weight  0.10000E+01 volume  0.16306E-01 ppm1      9.128 ppm2      0.851 CV     1
 ASSI {  610}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 57   and name HN  ))
      4.000     2.000     2.000 peak   610 spectrum    1 weight  0.10000E+01 volume  0.36795E-02 ppm1      9.127 ppm2      9.504 CV     1
 ASSI {  611}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 38   and name HN  ))
      4.800     2.800     1.200 peak   611 spectrum    1 weight  0.10000E+01 volume  0.17306E-02 ppm1      9.125 ppm2      9.296 CV     1
 ASSI {  612}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 36   and name HN  ))
      4.600     2.600     1.400 peak   612 spectrum    1 weight  0.10000E+01 volume  0.20618E-02 ppm1      9.125 ppm2      8.311 CV     1
 ASSI {  614}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 82   and name HD1 ))
      5.000     3.100     1.000 peak   614 spectrum    1 weight  0.10000E+01 volume  0.19353E-02 ppm1      8.212 ppm2      3.345 CV     1
 ASSI {  618}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 57   and name HA  ))
      4.400     2.500     1.600 peak   618 spectrum    1 weight  0.10000E+01 volume  0.36402E-02 ppm1      8.978 ppm2      5.667 CV     1
 ASSI {  621}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 7    and name HG11))
      3.700     1.700     1.700 peak   621 spectrum    1 weight  0.10000E+01 volume  0.40426E-02 ppm1      8.982 ppm2      1.569 CV     1
 OR {  621}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 7    and name HG12))
 ASSI {  622}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 96   and name HB1 ))
      4.100     2.100     1.900 peak   622 spectrum    1 weight  0.10000E+01 volume  0.42013E-02 ppm1      8.982 ppm2      0.973 CV     1
 ASSI {  625}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 66   and name HD1 ))
      4.700     2.800     1.300 peak   625 spectrum    1 weight  0.10000E+01 volume  0.21347E-02 ppm1      8.391 ppm2      3.404 CV     1
 ASSI {  626}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 64   and name HB2 ))
      4.100     2.200     1.900 peak   626 spectrum    1 weight  0.10000E+01 volume  0.54744E-02 ppm1      8.387 ppm2      1.741 CV     1
 ASSI {  628}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 81   and name HN  ))
      3.200     1.300     1.300 peak   628 spectrum    1 weight  0.10000E+01 volume  0.12353E-01 ppm1      8.212 ppm2      7.931 CV     1
 ASSI {  630}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 81   and name HA2 ))
      2.500     0.800     0.800 peak   630 spectrum    1 weight  0.10000E+01 volume  0.16282E-01 ppm1      8.211 ppm2      4.165 CV     1
 ASSI {  631}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 81   and name HA1 ))
      4.200     2.200     1.800 peak   631 spectrum    1 weight  0.10000E+01 volume  0.71925E-02 ppm1      8.211 ppm2      3.823 CV     1
 ASSI {  632}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 82   and name HD2 ))
      5.400     3.600     0.600 peak   632 spectrum    1 weight  0.10000E+01 volume  0.21292E-02 ppm1      8.210 ppm2      3.516 CV     1
 ASSI {  633}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 77   and name HB1 ))
      4.700     2.700     1.300 peak   633 spectrum    1 weight  0.10000E+01 volume  0.10111E-02 ppm1      8.213 ppm2      2.597 CV     1
 ASSI {  634}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 82   and name HG1 ))
      3.400     1.500     1.500 peak   634 spectrum    1 weight  0.10000E+01 volume  0.12633E-01 ppm1      8.213 ppm2      1.793 CV     1
 ASSI {  635}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 82   and name HB1 ))
      2.500     0.800     0.800 peak   635 spectrum    1 weight  0.10000E+01 volume  0.23425E-01 ppm1      8.213 ppm2      1.586 CV     1
 OR {  635}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 82   and name HB2 ))
 ASSI {  636}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 82   and name HG2 ))
      2.700     0.900     0.900 peak   636 spectrum    1 weight  0.10000E+01 volume  0.84218E-02 ppm1      8.211 ppm2      1.403 CV     1
 ASSI {  637}
   (( segid "    " and resid 82   and name HN  ))
   (  segid "    " and resid 93   and name HG2%)
      4.900     3.000     1.100 peak   637 spectrum    1 weight  0.10000E+01 volume  0.25315E-02 ppm1      8.214 ppm2      1.224 CV     1
 ASSI {  638}
   (( segid "    " and resid 82   and name HN  ))
   (  segid "    " and resid 83   and name HG2%)
      4.100     2.100     1.900 peak   638 spectrum    1 weight  0.10000E+01 volume  0.45544E-02 ppm1      8.212 ppm2      0.981 CV     1
 OR {  638}
   (( segid "    " and resid 82   and name HN  ))
   (  segid "    " and resid 83   and name HG1%)
 ASSI {  641}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 38   and name HN  ))
      4.000     2.000     2.000 peak   641 spectrum    1 weight  0.10000E+01 volume  0.48566E-02 ppm1      9.499 ppm2      9.320 CV     1
 ASSI {  643}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 56   and name HN  ))
      5.000     3.200     1.000 peak   643 spectrum    1 weight  0.10000E+01 volume  0.80431E-03 ppm1      9.497 ppm2      8.938 CV     1
 ASSI {  645}
   (( segid "    " and resid 57   and name HN  ))
   (  segid "    " and resid 40   and name HD% )
      3.600     1.600     1.600 peak   645 spectrum    1 weight  0.10000E+01 volume  0.12688E-01 ppm1      9.500 ppm2      7.033 CV     1
 ASSI {  647}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 57   and name HA  ))
      3.100     1.200     1.200 peak   647 spectrum    1 weight  0.10000E+01 volume  0.51303E-02 ppm1      9.497 ppm2      5.663 CV     1
 ASSI {  648}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 37   and name HB2 ))
      3.200     1.300     1.300 peak   648 spectrum    1 weight  0.10000E+01 volume  0.55690E-02 ppm1      9.500 ppm2      5.116 CV     1
 ASSI {  649}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 56   and name HA  ))
      2.200     0.600     0.600 peak   649 spectrum    1 weight  0.10000E+01 volume  0.20160E-01 ppm1      9.499 ppm2      4.921 CV     1
 ASSI {  650}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 127  and name HA  ))
      5.300     3.600     0.700 peak   650 spectrum    1 weight  0.10000E+01 volume  0.21962E-02 ppm1      9.499 ppm2      4.526 CV     1
 ASSI {  652}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 127  and name HB2 ))
      2.600     0.900     0.900 peak   652 spectrum    1 weight  0.10000E+01 volume  0.50820E-02 ppm1      9.501 ppm2      2.696 CV     1
 ASSI {  653}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 127  and name HB1 ))
      3.100     1.200     1.200 peak   653 spectrum    1 weight  0.10000E+01 volume  0.50620E-02 ppm1      9.499 ppm2      1.952 CV     1
 ASSI {  654}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 127  and name HG1 ))
      5.200     3.300     0.800 peak   654 spectrum    1 weight  0.10000E+01 volume  0.18535E-02 ppm1      9.499 ppm2      1.576 CV     1
 ASSI {  657}
   (( segid "    " and resid 57   and name HN  ))
   (  segid "    " and resid 131  and name HG2%)
      3.900     1.900     1.900 peak   657 spectrum    1 weight  0.10000E+01 volume  0.61491E-02 ppm1      9.498 ppm2      0.837 CV     1
 ASSI {  660}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 54   and name HA  ))
      5.800     4.200     0.200 peak   660 spectrum    1 weight  0.10000E+01 volume  0.48672E-03 ppm1      9.114 ppm2      5.467 CV     1
 ASSI {  661}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 41   and name HN  ))
      5.200     3.300     0.800 peak   661 spectrum    1 weight  0.10000E+01 volume  0.88345E-03 ppm1      9.114 ppm2      8.830 CV     1
 ASSI {  663}
   (( segid "    " and resid 40   and name HN  ))
   (  segid "    " and resid 40   and name HD% )
      2.300     0.700     0.700 peak   663 spectrum    1 weight  0.10000E+01 volume  0.21101E-01 ppm1      9.111 ppm2      7.021 CV     1
 ASSI {  665}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 39   and name HA  ))
      2.300     0.700     0.700 peak   665 spectrum    1 weight  0.10000E+01 volume  0.15985E-01 ppm1      9.112 ppm2      5.243 CV     1
 ASSI {  666}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 157  and name HA  ))
      4.500     2.600     1.500 peak   666 spectrum    1 weight  0.10000E+01 volume  0.28739E-02 ppm1      9.109 ppm2      4.487 CV     1
 ASSI {  667}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 39   and name HB2 ))
      4.100     2.100     1.900 peak   667 spectrum    1 weight  0.10000E+01 volume  0.46635E-02 ppm1      9.112 ppm2      3.359 CV     1
 ASSI {  669}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 40   and name HB1 ))
      3.300     1.300     1.300 peak   669 spectrum    1 weight  0.10000E+01 volume  0.11515E-01 ppm1      9.111 ppm2      2.704 CV     1
 ASSI {  671}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 54   and name HG  ))
      3.200     1.300     1.300 peak   671 spectrum    1 weight  0.10000E+01 volume  0.65523E-02 ppm1      9.113 ppm2      0.227 CV     1
 ASSI {  673}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 6    and name HA  ))
      2.600     0.900     0.900 peak   673 spectrum    1 weight  0.10000E+01 volume  0.11853E-01 ppm1      8.978 ppm2      5.034 CV     1
 ASSI {  674}
   (( segid "    " and resid 7    and name HN  ))
   (  segid "    " and resid 6    and name HB% )
      3.800     1.800     1.800 peak   674 spectrum    1 weight  0.10000E+01 volume  0.53326E-02 ppm1      8.980 ppm2      1.763 CV     1
 ASSI {  675}
   (( segid "    " and resid 7    and name HN  ))
   (  segid "    " and resid 56   and name HB% )
      3.200     3.200     2.800 peak   675 spectrum    1 weight  0.10000E+01 volume  0.16495E-01 ppm1      8.977 ppm2      1.440 CV     1
 ASSI {  676}
   (( segid "    " and resid 7    and name HN  ))
   (  segid "    " and resid 7    and name HG2%)
      3.700     1.700     1.700 peak   676 spectrum    1 weight  0.10000E+01 volume  0.11493E-01 ppm1      8.979 ppm2      0.806 CV     1
 ASSI {  678}
   (( segid "    " and resid 157  and name HN  ))
   (( segid "    " and resid 156  and name HN  ))
      4.500     2.600     1.500 peak   678 spectrum    1 weight  0.10000E+01 volume  0.30601E-02 ppm1      8.785 ppm2      9.311 CV     1
 ASSI {  680}
   (( segid "    " and resid 157  and name HN  ))
   (  segid "    " and resid 40   and name HD% )
      3.900     1.900     1.900 peak   680 spectrum    1 weight  0.10000E+01 volume  0.32439E-02 ppm1      8.783 ppm2      7.047 CV     1
 ASSI {  681}
   (( segid "    " and resid 157  and name HN  ))
   (( segid "    " and resid 40   and name HA  ))
      5.000     3.100     1.000 peak   681 spectrum    1 weight  0.10000E+01 volume  0.21172E-02 ppm1      8.785 ppm2      5.254 CV     1
 ASSI {  682}
   (( segid "    " and resid 157  and name HN  ))
   (( segid "    " and resid 156  and name HA  ))
      2.100     0.500     0.500 peak   682 spectrum    1 weight  0.10000E+01 volume  0.50525E-01 ppm1      8.785 ppm2      4.941 CV     1
 ASSI {  683}
   (( segid "    " and resid 157  and name HN  ))
   (( segid "    " and resid 157  and name HA  ))
      2.700     0.900     0.900 peak   683 spectrum    1 weight  0.10000E+01 volume  0.97675E-02 ppm1      8.785 ppm2      4.488 CV     1
 ASSI {  684}
   (( segid "    " and resid 157  and name HN  ))
   (( segid "    " and resid 156  and name HB2 ))
      2.900     1.100     1.100 peak   684 spectrum    1 weight  0.10000E+01 volume  0.26005E-01 ppm1      8.785 ppm2      2.862 CV     1
 OR {  684}
   (( segid "    " and resid 157  and name HN  ))
   (( segid "    " and resid 156  and name HB1 ))
 ASSI {  685}
   (( segid "    " and resid 157  and name HN  ))
   (( segid "    " and resid 157  and name HB2 ))
      2.500     0.800     0.800 peak   685 spectrum    1 weight  0.10000E+01 volume  0.13523E-01 ppm1      8.785 ppm2      1.992 CV     1
 ASSI {  686}
   (( segid "    " and resid 157  and name HN  ))
   (( segid "    " and resid 157  and name HB1 ))
      3.200     1.300     1.300 peak   686 spectrum    1 weight  0.10000E+01 volume  0.26502E-01 ppm1      8.785 ppm2      1.824 CV     1
 ASSI {  687}
   (( segid "    " and resid 157  and name HN  ))
   (( segid "    " and resid 157  and name HG2 ))
      3.100     1.200     1.200 peak   687 spectrum    1 weight  0.10000E+01 volume  0.27299E-01 ppm1      8.785 ppm2      1.632 CV     1
 ASSI {  688}
   (( segid "    " and resid 157  and name HN  ))
   (( segid "    " and resid 157  and name HG1 ))
      2.400     0.700     0.700 peak   688 spectrum    1 weight  0.10000E+01 volume  0.13524E-01 ppm1      8.785 ppm2      1.299 CV     1
 ASSI {  691}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 68   and name HN  ))
      4.400     2.400     1.600 peak   691 spectrum    1 weight  0.10000E+01 volume  0.20951E-02 ppm1      8.389 ppm2      6.878 CV     1
 ASSI {  692}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 65   and name HA  ))
      2.800     1.000     1.000 peak   692 spectrum    1 weight  0.10000E+01 volume  0.10977E-01 ppm1      8.387 ppm2      4.612 CV     1
 ASSI {  694}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 64   and name HA  ))
      2.400     0.700     0.700 peak   694 spectrum    1 weight  0.10000E+01 volume  0.22099E-01 ppm1      8.387 ppm2      4.228 CV     1
 ASSI {  695}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 63   and name HB1 ))
      4.300     2.300     1.700 peak   695 spectrum    1 weight  0.10000E+01 volume  0.14978E-03 ppm1      8.388 ppm2      4.061 CV     1
 OR {  695}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 63   and name HB2 ))
 ASSI {  696}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 68   and name HG2 ))
      4.100     2.100     1.900 peak   696 spectrum    1 weight  0.10000E+01 volume  0.49382E-02 ppm1      8.386 ppm2      2.405 CV     1
 OR {  696}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 68   and name HG1 ))
 ASSI {  697}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 69   and name HB1 ))
      3.300     3.300     2.700 peak   697 spectrum    1 weight  0.10000E+01 volume  0.12296E-01 ppm1      8.387 ppm2      2.215 CV     1
 ASSI {  698}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 67   and name HG2 ))
      5.400     3.700     0.600 peak   698 spectrum    1 weight  0.10000E+01 volume  0.88840E-03 ppm1      8.388 ppm2      2.015 CV     1
 ASSI {  702}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 64   and name HG  ))
      3.100     1.200     1.200 peak   702 spectrum    1 weight  0.10000E+01 volume  0.18037E-01 ppm1      8.388 ppm2      0.743 CV     1
 ASSI {  703}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 66   and name HD2 ))
      4.700     2.800     1.300 peak   703 spectrum    1 weight  0.10000E+01 volume  0.18247E-02 ppm1      8.384 ppm2      3.626 CV     1
 ASSI {  706}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 30   and name HG2 ))
      4.800     2.800     1.200 peak   706 spectrum    1 weight  0.10000E+01 volume  0.32822E-02 ppm1      8.261 ppm2      2.175 CV     1
 ASSI {  708}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 64   and name HB2 ))
      3.700     1.700     1.700 peak   708 spectrum    1 weight  0.10000E+01 volume  0.67160E-02 ppm1      8.245 ppm2      1.778 CV     1
 ASSI {  710}
   (( segid "    " and resid 146  and name HN  ))
   (( segid "    " and resid 147  and name HN  ))
      2.600     0.800     0.800 peak   710 spectrum    1 weight  0.10000E+01 volume  0.97558E-02 ppm1      7.881 ppm2      7.464 CV     1
 ASSI {  712}
   (( segid "    " and resid 146  and name HN  ))
   (( segid "    " and resid 145  and name HN  ))
      2.400     0.700     0.700 peak   712 spectrum    1 weight  0.10000E+01 volume  0.12831E-01 ppm1      7.880 ppm2      6.770 CV     1
 ASSI {  713}
   (( segid "    " and resid 146  and name HN  ))
   (( segid "    " and resid 142  and name HA  ))
      4.000     2.000     2.000 peak   713 spectrum    1 weight  0.10000E+01 volume  0.25258E-02 ppm1      7.884 ppm2      4.802 CV     1
 ASSI {  714}
   (( segid "    " and resid 146  and name HN  ))
   (( segid "    " and resid 145  and name HA  ))
      3.600     1.600     1.600 peak   714 spectrum    1 weight  0.10000E+01 volume  0.36045E-02 ppm1      7.879 ppm2      4.251 CV     1
 ASSI {  715}
   (( segid "    " and resid 146  and name HN  ))
   (( segid "    " and resid 143  and name HA  ))
      3.400     1.400     1.400 peak   715 spectrum    1 weight  0.10000E+01 volume  0.36490E-02 ppm1      7.880 ppm2      4.078 CV     1
 ASSI {  716}
   (( segid "    " and resid 146  and name HN  ))
   (( segid "    " and resid 146  and name HA  ))
      2.900     1.100     1.100 peak   716 spectrum    1 weight  0.10000E+01 volume  0.76849E-02 ppm1      7.881 ppm2      3.658 CV     1
 ASSI {  717}
   (( segid "    " and resid 146  and name HN  ))
   (( segid "    " and resid 144  and name HA  ))
      5.000     3.200     1.000 peak   717 spectrum    1 weight  0.10000E+01 volume  0.41050E-03 ppm1      7.881 ppm2      3.518 CV     1
 ASSI {  720}
   (( segid "    " and resid 146  and name HN  ))
   (( segid "    " and resid 141  and name HG1 ))
      3.900     1.900     1.900 peak   720 spectrum    1 weight  0.10000E+01 volume  0.49482E-02 ppm1      7.883 ppm2      2.085 CV     1
 ASSI {  721}
   (( segid "    " and resid 146  and name HN  ))
   (( segid "    " and resid 146  and name HB  ))
      2.400     0.700     0.700 peak   721 spectrum    1 weight  0.10000E+01 volume  0.15209E-01 ppm1      7.880 ppm2      1.780 CV     1
 ASSI {  723}
   (( segid "    " and resid 146  and name HN  ))
   (( segid "    " and resid 146  and name HG12))
      3.000     1.100     1.100 peak   723 spectrum    1 weight  0.10000E+01 volume  0.14779E-01 ppm1      7.880 ppm2      0.965 CV     1
 ASSI {  724}
   (( segid "    " and resid 146  and name HN  ))
   (  segid "    " and resid 146  and name HG2%)
      3.800     1.800     1.800 peak   724 spectrum    1 weight  0.10000E+01 volume  0.92622E-02 ppm1      7.881 ppm2      0.739 CV     1
 ASSI {  725}
   (( segid "    " and resid 146  and name HN  ))
   (  segid "    " and resid 125  and name HD2%)
      4.000     2.000     2.000 peak   725 spectrum    1 weight  0.10000E+01 volume  0.90085E-02 ppm1      7.882 ppm2      0.459 CV     1
 OR {  725}
   (( segid "    " and resid 146  and name HN  ))
   (  segid "    " and resid 125  and name HD1%)
 ASSI {  727}
   (( segid "    " and resid 135  and name HN  ))
   (( segid "    " and resid 133  and name HA  ))
      4.600     2.600     1.400 peak   727 spectrum    1 weight  0.10000E+01 volume  0.62454E-03 ppm1      7.217 ppm2      4.104 CV     1
 ASSI {  729}
   (( segid "    " and resid 135  and name HN  ))
   (( segid "    " and resid 136  and name HB  ))
      6.000     6.000     0.000 peak   729 spectrum    1 weight  0.10000E+01 volume  0.13166E-03 ppm1      7.220 ppm2      1.970 CV     1
 ASSI {  731}
   (( segid "    " and resid 135  and name HN  ))
   (  segid "    " and resid 135  and name HD2%)
      4.400     2.400     1.600 peak   731 spectrum    1 weight  0.10000E+01 volume  0.57432E-02 ppm1      7.219 ppm2      0.366 CV     1
 ASSI {  732}
   (( segid "    " and resid 135  and name HN  ))
   (  segid "    " and resid 135  and name HD1%)
      4.600     2.600     1.400 peak   732 spectrum    1 weight  0.10000E+01 volume  0.36615E-02 ppm1      7.218 ppm2      0.116 CV     1
 ASSI {  733}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 53   and name HN  ))
      5.500     3.800     0.500 peak   733 spectrum    1 weight  0.10000E+01 volume  0.86321E-03 ppm1      8.557 ppm2      8.851 CV     1
 ASSI {  736}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 10   and name HD22))
      2.600     2.600     3.400 peak   736 spectrum    1 weight  0.10000E+01 volume  0.35593E-02 ppm1      8.563 ppm2      6.494 CV     1
 ASSI {  737}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 53   and name HB2 ))
      4.100     2.100     1.900 peak   737 spectrum    1 weight  0.10000E+01 volume  0.77216E-03 ppm1      8.557 ppm2      2.887 CV     1
 ASSI {  738}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 53   and name HB1 ))
      3.800     1.800     1.800 peak   738 spectrum    1 weight  0.10000E+01 volume  0.64269E-02 ppm1      8.556 ppm2      2.234 CV     1
 ASSI {  739}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 14   and name HB1 ))
      4.400     2.400     1.600 peak   739 spectrum    1 weight  0.10000E+01 volume  0.46882E-03 ppm1      8.559 ppm2      1.865 CV     1
 ASSI {  740}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 54   and name HB2 ))
      3.200     1.300     1.300 peak   740 spectrum    1 weight  0.10000E+01 volume  0.58312E-02 ppm1      8.556 ppm2      0.958 CV     1
 ASSI {  741}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 54   and name HB1 ))
      3.100     1.200     1.200 peak   741 spectrum    1 weight  0.10000E+01 volume  0.34277E-02 ppm1      8.558 ppm2      0.377 CV     1
 ASSI {  743}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 10   and name HA  ))
      5.400     3.600     0.600 peak   743 spectrum    1 weight  0.10000E+01 volume  0.60636E-03 ppm1      8.551 ppm2      4.645 CV     1
 ASSI {  745}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 62   and name HN  ))
      4.400     2.400     1.600 peak   745 spectrum    1 weight  0.10000E+01 volume  0.19185E-02 ppm1      8.259 ppm2      9.213 CV     1
 ASSI {  748}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 31   and name HA  ))
      3.200     1.300     1.300 peak   748 spectrum    1 weight  0.10000E+01 volume  0.84364E-02 ppm1      8.257 ppm2      5.912 CV     1
 ASSI {  749}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 62   and name HA  ))
      2.300     0.600     0.600 peak   749 spectrum    1 weight  0.10000E+01 volume  0.18086E-01 ppm1      8.259 ppm2      5.515 CV     1
 ASSI {  750}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 63   and name HA  ))
      3.100     1.200     1.200 peak   750 spectrum    1 weight  0.10000E+01 volume  0.58729E-02 ppm1      8.258 ppm2      4.981 CV     1
 ASSI {  752}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 63   and name HB2 ))
      2.800     1.000     1.000 peak   752 spectrum    1 weight  0.10000E+01 volume  0.12312E-01 ppm1      8.258 ppm2      4.062 CV     1
 OR {  752}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 63   and name HB1 ))
 ASSI {  753}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 62   and name HB  ))
      3.400     1.400     1.400 peak   753 spectrum    1 weight  0.10000E+01 volume  0.91796E-02 ppm1      8.258 ppm2      3.834 CV     1
 ASSI {  754}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 31   and name HB2 ))
      3.900     1.900     1.900 peak   754 spectrum    1 weight  0.10000E+01 volume  0.39256E-02 ppm1      8.261 ppm2      3.592 CV     1
 ASSI {  755}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 30   and name HB2 ))
      3.700     1.700     1.700 peak   755 spectrum    1 weight  0.10000E+01 volume  0.46851E-02 ppm1      8.260 ppm2      2.412 CV     1
 ASSI {  756}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 30   and name HB1 ))
      3.300     1.300     1.300 peak   756 spectrum    1 weight  0.10000E+01 volume  0.53482E-02 ppm1      8.260 ppm2      2.005 CV     1
 ASSI {  757}
   (( segid "    " and resid 63   and name HN  ))
   (  segid "    " and resid 62   and name HG2%)
      3.900     1.900     1.900 peak   757 spectrum    1 weight  0.10000E+01 volume  0.51643E-02 ppm1      8.259 ppm2      1.096 CV     1
 ASSI {  758}
   (( segid "    " and resid 63   and name HN  ))
   (  segid "    " and resid 64   and name HD2%)
      4.500     2.600     1.500 peak   758 spectrum    1 weight  0.10000E+01 volume  0.87432E-02 ppm1      8.260 ppm2      0.729 CV     1
 OR {  758}
   (( segid "    " and resid 63   and name HN  ))
   (  segid "    " and resid 64   and name HD1%)
 ASSI {  760}
   (( segid "    " and resid 135  and name HN  ))
   (( segid "    " and resid 134  and name HN  ))
      2.700     0.900     0.900 peak   760 spectrum    1 weight  0.10000E+01 volume  0.13527E-01 ppm1      7.220 ppm2      8.281 CV     1
 ASSI {  762}
   (( segid "    " and resid 135  and name HN  ))
   (( segid "    " and resid 142  and name HA  ))
      3.500     3.500     2.500 peak   762 spectrum    1 weight  0.10000E+01 volume  0.10742E-01 ppm1      7.220 ppm2      4.803 CV     1
 ASSI {  763}
   (( segid "    " and resid 135  and name HN  ))
   (( segid "    " and resid 134  and name HA  ))
      3.300     1.400     1.400 peak   763 spectrum    1 weight  0.10000E+01 volume  0.56470E-02 ppm1      7.220 ppm2      4.548 CV     1
 ASSI {  764}
   (( segid "    " and resid 135  and name HN  ))
   (( segid "    " and resid 135  and name HA  ))
      2.800     1.000     1.000 peak   764 spectrum    1 weight  0.10000E+01 volume  0.11995E-01 ppm1      7.219 ppm2      3.844 CV     1
 ASSI {  765}
   (( segid "    " and resid 135  and name HN  ))
   (( segid "    " and resid 134  and name HB1 ))
      4.100     2.100     1.900 peak   765 spectrum    1 weight  0.10000E+01 volume  0.46422E-02 ppm1      7.219 ppm2      2.303 CV     1
 OR {  765}
   (( segid "    " and resid 135  and name HN  ))
   (( segid "    " and resid 134  and name HG2 ))
 ASSI {  766}
   (( segid "    " and resid 135  and name HN  ))
   (( segid "    " and resid 135  and name HB1 ))
      3.000     1.100     1.100 peak   766 spectrum    1 weight  0.10000E+01 volume  0.21257E-01 ppm1      7.220 ppm2      1.735 CV     1
 ASSI {  768}
   (( segid "    " and resid 135  and name HN  ))
   (( segid "    " and resid 143  and name HG  ))
      3.300     3.300     2.700 peak   768 spectrum    1 weight  0.10000E+01 volume  0.15273E-01 ppm1      7.219 ppm2      0.998 CV     1
 ASSI {  772}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 54   and name HA  ))
      4.400     2.400     1.600 peak   772 spectrum    1 weight  0.10000E+01 volume  0.54538E-03 ppm1      8.555 ppm2      5.470 CV     1
 ASSI {  773}
   (( segid "    " and resid 54   and name HN  ))
   (  segid "    " and resid 54   and name HD1%)
      5.900     4.400     0.100 peak   773 spectrum    1 weight  0.10000E+01 volume  0.86894E-03 ppm1      8.559 ppm2     -0.631 CV     1
 OR {  773}
   (( segid "    " and resid 54   and name HN  ))
   (  segid "    " and resid 54   and name HD2%)
 ASSI {  774}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 8    and name HA1 ))
      6.000     4.700     0.000 peak   774 spectrum    1 weight  0.10000E+01 volume  0.42489E-03 ppm1      8.553 ppm2      4.187 CV     1
 ASSI {  776}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 73   and name HA  ))
      4.400     2.400     1.600 peak   776 spectrum    1 weight  0.10000E+01 volume  0.71541E-03 ppm1      8.009 ppm2      4.345 CV     1
 ASSI {  777}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 75   and name HA  ))
      3.700     1.700     1.700 peak   777 spectrum    1 weight  0.10000E+01 volume  0.33962E-02 ppm1      8.010 ppm2      4.158 CV     1
 ASSI {  778}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 77   and name HB2 ))
      3.900     1.900     1.900 peak   778 spectrum    1 weight  0.10000E+01 volume  0.78927E-02 ppm1      8.009 ppm2      1.839 CV     1
 ASSI {  779}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 75   and name HN  ))
      2.600     0.900     0.900 peak   779 spectrum    1 weight  0.10000E+01 volume  0.11248E-01 ppm1      8.004 ppm2      7.691 CV     1
 ASSI {  780}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 73   and name HB  ))
      4.200     2.200     1.800 peak   780 spectrum    1 weight  0.10000E+01 volume  0.32436E-02 ppm1      8.006 ppm2      3.951 CV     1
 ASSI {  781}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 76   and name HA  ))
      3.000     1.100     1.100 peak   781 spectrum    1 weight  0.10000E+01 volume  0.65338E-02 ppm1      8.005 ppm2      3.598 CV     1
 ASSI {  783}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 28   and name HG12))
      4.000     2.000     2.000 peak   783 spectrum    1 weight  0.10000E+01 volume  0.75966E-02 ppm1      8.003 ppm2      2.078 CV     1
 OR {  783}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 28   and name HG11))
 ASSI {  785}
   (( segid "    " and resid 76   and name HN  ))
   (  segid "    " and resid 96   and name HD1%)
      4.100     2.100     1.900 peak   785 spectrum    1 weight  0.10000E+01 volume  0.42403E-02 ppm1      8.003 ppm2      1.129 CV     1
 OR {  785}
   (( segid "    " and resid 76   and name HN  ))
   (  segid "    " and resid 96   and name HD2%)
 ASSI {  786}
   (( segid "    " and resid 76   and name HN  ))
   (  segid "    " and resid 76   and name HG2%)
      3.000     3.000     3.000 peak   786 spectrum    1 weight  0.10000E+01 volume  0.36111E-01 ppm1      8.005 ppm2      0.814 CV     1
 ASSI {  788}
   (( segid "    " and resid 25   and name HN  ))
   (  segid "    " and resid 24   and name HB% )
      2.900     1.100     1.100 peak   788 spectrum    1 weight  0.10000E+01 volume  0.12427E-01 ppm1      9.347 ppm2      1.567 CV     1
 ASSI {  799}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 73   and name HN  ))
      2.600     0.900     0.900 peak   799 spectrum    1 weight  0.10000E+01 volume  0.10365E-01 ppm1      8.921 ppm2      9.339 CV     1
 ASSI {  803}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 74   and name HA  ))
      3.000     1.200     1.200 peak   803 spectrum    1 weight  0.10000E+01 volume  0.73366E-02 ppm1      8.921 ppm2      4.213 CV     1
 ASSI {  804}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 73   and name HB  ))
      4.300     2.300     1.700 peak   804 spectrum    1 weight  0.10000E+01 volume  0.16498E-02 ppm1      8.923 ppm2      3.964 CV     1
 ASSI {  806}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 74   and name HB2 ))
      2.400     0.700     0.700 peak   806 spectrum    1 weight  0.10000E+01 volume  0.13377E-01 ppm1      8.919 ppm2      2.249 CV     1
 ASSI {  809}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 75   and name HN  ))
      2.700     0.900     0.900 peak   809 spectrum    1 weight  0.10000E+01 volume  0.10504E-01 ppm1      8.918 ppm2      7.701 CV     1
 ASSI {  810}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 74   and name HG1 ))
      4.000     2.000     2.000 peak   810 spectrum    1 weight  0.10000E+01 volume  0.63424E-02 ppm1      8.918 ppm2      2.947 CV     1
 ASSI {  811}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 96   and name HG  ))
      5.200     3.400     0.800 peak   811 spectrum    1 weight  0.10000E+01 volume  0.76119E-03 ppm1      8.919 ppm2      1.636 CV     1
 ASSI {  812}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 70   and name HG  ))
      3.900     1.900     1.900 peak   812 spectrum    1 weight  0.10000E+01 volume  0.44777E-02 ppm1      8.915 ppm2      1.347 CV     1
 ASSI {  813}
   (( segid "    " and resid 74   and name HN  ))
   (  segid "    " and resid 73   and name HG2%)
      3.800     1.800     1.800 peak   813 spectrum    1 weight  0.10000E+01 volume  0.86174E-02 ppm1      8.918 ppm2      1.065 CV     1
 ASSI {  815}
   (( segid "    " and resid 74   and name HN  ))
   (  segid "    " and resid 70   and name HD2%)
      6.000     6.000     0.000 peak   815 spectrum    1 weight  0.10000E+01 volume  0.13923E-03 ppm1      8.917 ppm2      0.525 CV     1
 ASSI {  817}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 78   and name HN  ))
      2.500     0.800     0.800 peak   817 spectrum    1 weight  0.10000E+01 volume  0.11971E-01 ppm1      8.782 ppm2      7.975 CV     1
 ASSI {  820}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 80   and name HB1 ))
      6.000     5.400     0.000 peak   820 spectrum    1 weight  0.10000E+01 volume  0.50871E-03 ppm1      8.783 ppm2      2.863 CV     1
 ASSI {  850}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 25   and name HB2 ))
      2.600     0.800     0.800 peak   850 spectrum    1 weight  0.10000E+01 volume  0.10458E-01 ppm1      9.347 ppm2      2.121 CV     1
 ASSI {  851}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 25   and name HG  ))
      2.200     0.600     0.600 peak   851 spectrum    1 weight  0.10000E+01 volume  0.18560E-01 ppm1      9.346 ppm2      1.973 CV     1
 ASSI {  852}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 33   and name HB  ))
      6.000     5.200     0.000 peak   852 spectrum    1 weight  0.10000E+01 volume  0.71621E-03 ppm1      9.343 ppm2      1.775 CV     1
 ASSI {  853}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 25   and name HB1 ))
      3.400     1.500     1.500 peak   853 spectrum    1 weight  0.10000E+01 volume  0.11228E-01 ppm1      9.348 ppm2      1.185 CV     1
 ASSI {  854}
   (( segid "    " and resid 25   and name HN  ))
   (  segid "    " and resid 25   and name HD2%)
      3.100     1.200     1.200 peak   854 spectrum    1 weight  0.10000E+01 volume  0.31733E-01 ppm1      9.348 ppm2      0.830 CV     1
 OR {  854}
   (( segid "    " and resid 25   and name HN  ))
   (  segid "    " and resid 25   and name HD1%)
 ASSI {  855}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 76   and name HA  ))
      3.500     1.500     1.500 peak   855 spectrum    1 weight  0.10000E+01 volume  0.40022E-02 ppm1      8.779 ppm2      3.589 CV     1
 ASSI {  856}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 79   and name HG1 ))
      2.600     0.800     0.800 peak   856 spectrum    1 weight  0.10000E+01 volume  0.11352E-01 ppm1      8.781 ppm2      2.570 CV     1
 ASSI {  857}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 75   and name HB2 ))
      1.800     1.800     4.200 peak   857 spectrum    1 weight  0.10000E+01 volume  0.26875E-01 ppm1      8.780 ppm2      2.312 CV     1
 ASSI {  858}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 75   and name HB1 ))
      2.200     2.200     3.800 peak   858 spectrum    1 weight  0.10000E+01 volume  0.75115E-02 ppm1      8.782 ppm2      1.939 CV     1
 ASSI {  872}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 25   and name HN  ))
      2.400     0.700     0.700 peak   872 spectrum    1 weight  0.10000E+01 volume  0.16233E-01 ppm1      7.919 ppm2      9.345 CV     1
 ASSI {  875}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 23   and name HN  ))
      2.200     0.600     0.600 peak   875 spectrum    1 weight  0.10000E+01 volume  0.28329E-01 ppm1      7.920 ppm2      7.422 CV     1
 ASSI {  876}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 20   and name HA  ))
      2.400     2.400     3.600 peak   876 spectrum    1 weight  0.10000E+01 volume  0.35429E-01 ppm1      7.920 ppm2      4.182 CV     1
 ASSI {  878}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 23   and name HB1 ))
      2.300     0.600     0.600 peak   878 spectrum    1 weight  0.10000E+01 volume  0.37868E-01 ppm1      7.920 ppm2      1.960 CV     1
 OR {  878}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 23   and name HB2 ))
 ASSI {  884}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 54   and name HA  ))
      5.100     3.300     0.900 peak   884 spectrum    1 weight  0.10000E+01 volume  0.66070E-03 ppm1     10.308 ppm2      5.475 CV     1
 ASSI {  885}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 41   and name HD2 ))
      4.900     2.900     1.100 peak   885 spectrum    1 weight  0.10000E+01 volume  0.27962E-02 ppm1     10.308 ppm2      2.852 CV     1
 ASSI {  886}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 52   and name HB1 ))
      5.300     3.500     0.700 peak   886 spectrum    1 weight  0.10000E+01 volume  0.11580E-02 ppm1     10.306 ppm2      2.649 CV     1
 ASSI {  890}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 31   and name HA  ))
      4.400     2.400     1.600 peak   890 spectrum    1 weight  0.10000E+01 volume  0.43256E-02 ppm1      9.233 ppm2      5.912 CV     1
 ASSI {  891}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 62   and name HA  ))
      3.300     1.300     1.300 peak   891 spectrum    1 weight  0.10000E+01 volume  0.34386E-02 ppm1      9.232 ppm2      5.518 CV     1
 ASSI {  892}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 61   and name HA  ))
      2.000     0.500     0.500 peak   892 spectrum    1 weight  0.10000E+01 volume  0.45031E-01 ppm1      9.232 ppm2      4.758 CV     1
 ASSI {  894}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 2    and name HA  ))
      2.900     1.000     1.000 peak   894 spectrum    1 weight  0.10000E+01 volume  0.94874E-02 ppm1      9.232 ppm2      4.216 CV     1
 ASSI {  895}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 62   and name HB  ))
      3.300     1.400     1.400 peak   895 spectrum    1 weight  0.10000E+01 volume  0.47204E-02 ppm1      9.232 ppm2      3.835 CV     1
 ASSI {  896}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 31   and name HB1 ))
      4.300     2.300     1.700 peak   896 spectrum    1 weight  0.10000E+01 volume  0.41163E-02 ppm1      9.232 ppm2      3.574 CV     1
 OR {  896}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 31   and name HB2 ))
 ASSI {  897}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 61   and name HG2 ))
      3.900     1.900     1.900 peak   897 spectrum    1 weight  0.10000E+01 volume  0.61780E-02 ppm1      9.233 ppm2      1.948 CV     1
 ASSI {  901}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 64   and name HN  ))
      5.900     4.300     0.100 peak   901 spectrum    1 weight  0.10000E+01 volume  0.89754E-03 ppm1      9.228 ppm2      8.544 CV     1
 ASSI {  902}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 61   and name HG1 ))
      4.400     2.400     1.600 peak   902 spectrum    1 weight  0.10000E+01 volume  0.36967E-02 ppm1      9.231 ppm2      2.218 CV     1
 ASSI {  903}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 61   and name HB1 ))
      3.800     1.800     1.800 peak   903 spectrum    1 weight  0.10000E+01 volume  0.79813E-02 ppm1      9.231 ppm2      1.771 CV     1
 ASSI {  912}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 48   and name HN  ))
      2.700     0.900     0.900 peak   912 spectrum    1 weight  0.10000E+01 volume  0.15423E-01 ppm1      8.890 ppm2      8.586 CV     1
 ASSI {  913}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 50   and name HN  ))
      2.900     1.000     1.000 peak   913 spectrum    1 weight  0.10000E+01 volume  0.76303E-02 ppm1      8.890 ppm2      7.813 CV     1
 ASSI {  914}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 49   and name HA  ))
      2.700     0.900     0.900 peak   914 spectrum    1 weight  0.10000E+01 volume  0.15882E-01 ppm1      8.891 ppm2      4.671 CV     1
 ASSI {  915}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 47   and name HA  ))
      3.300     1.400     1.400 peak   915 spectrum    1 weight  0.10000E+01 volume  0.66577E-02 ppm1      8.892 ppm2      4.473 CV     1
 ASSI {  916}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 48   and name HA  ))
      2.900     1.000     1.000 peak   916 spectrum    1 weight  0.10000E+01 volume  0.13031E-01 ppm1      8.890 ppm2      4.306 CV     1
 ASSI {  917}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 49   and name HB1 ))
      3.000     1.100     1.100 peak   917 spectrum    1 weight  0.10000E+01 volume  0.27204E-01 ppm1      8.890 ppm2      2.684 CV     1
 ASSI {  918}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 48   and name HG1 ))
      3.300     1.300     1.300 peak   918 spectrum    1 weight  0.10000E+01 volume  0.10193E-01 ppm1      8.890 ppm2      2.465 CV     1
 ASSI {  919}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 48   and name HB1 ))
      3.300     1.400     1.400 peak   919 spectrum    1 weight  0.10000E+01 volume  0.11814E-01 ppm1      8.888 ppm2      2.300 CV     1
 ASSI {  922}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 19   and name HB2 ))
      5.600     3.900     0.400 peak   922 spectrum    1 weight  0.10000E+01 volume  0.88985E-03 ppm1      8.733 ppm2      2.848 CV     1
 ASSI {  925}
   (( segid "    " and resid 18   and name HN  ))
   (  segid "    " and resid 18   and name HG2%)
      3.300     1.300     1.300 peak   925 spectrum    1 weight  0.10000E+01 volume  0.53597E-02 ppm1      8.730 ppm2      0.242 CV     1
 ASSI {  926}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 40   and name HN  ))
      5.100     3.200     0.900 peak   926 spectrum    1 weight  0.10000E+01 volume  0.85710E-03 ppm1      8.674 ppm2      9.102 CV     1
 ASSI {  928}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 38   and name HN  ))
      4.500     2.500     1.500 peak   928 spectrum    1 weight  0.10000E+01 volume  0.19410E-02 ppm1      8.665 ppm2      9.299 CV     1
 ASSI {  930}
   (( segid "    " and resid 39   and name HN  ))
   (  segid "    " and resid 39   and name HD% )
      2.900     1.100     1.100 peak   930 spectrum    1 weight  0.10000E+01 volume  0.67749E-02 ppm1      8.669 ppm2      6.955 CV     1
 ASSI {  931}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 39   and name HA  ))
      3.000     1.100     1.100 peak   931 spectrum    1 weight  0.10000E+01 volume  0.58973E-02 ppm1      8.667 ppm2      5.247 CV     1
 ASSI {  934}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 38   and name HB1 ))
      2.800     1.000     1.000 peak   934 spectrum    1 weight  0.10000E+01 volume  0.81189E-02 ppm1      8.671 ppm2      3.727 CV     1
 ASSI {  935}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 38   and name HB2 ))
      2.700     0.900     0.900 peak   935 spectrum    1 weight  0.10000E+01 volume  0.11661E-01 ppm1      8.670 ppm2      3.527 CV     1
 ASSI {  936}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 39   and name HB2 ))
      2.700     2.700     3.300 peak   936 spectrum    1 weight  0.10000E+01 volume  0.13021E-01 ppm1      8.669 ppm2      3.357 CV     1
 ASSI {  938}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 39   and name HB1 ))
      3.400     1.400     1.400 peak   938 spectrum    1 weight  0.10000E+01 volume  0.84649E-02 ppm1      8.670 ppm2      2.762 CV     1
 ASSI {  939}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 157  and name HG2 ))
      3.300     1.400     1.400 peak   939 spectrum    1 weight  0.10000E+01 volume  0.35912E-02 ppm1      8.666 ppm2      1.616 CV     1
 ASSI {  942}
   (( segid "    " and resid 39   and name HN  ))
   (  segid "    " and resid 54   and name HD1%)
      6.000     6.000     0.000 peak   942 spectrum    1 weight  0.10000E+01 volume  0.14501E-03 ppm1      8.668 ppm2     -0.648 CV     1
 OR {  942}
   (( segid "    " and resid 39   and name HN  ))
   (  segid "    " and resid 54   and name HD2%)
 ASSI {  944}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 70   and name HN  ))
      2.700     0.900     0.900 peak   944 spectrum    1 weight  0.10000E+01 volume  0.11329E-01 ppm1      8.232 ppm2      7.826 CV     1
 ASSI {  945}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 72   and name HD2 ))
      4.500     2.500     1.500 peak   945 spectrum    1 weight  0.10000E+01 volume  0.22028E-02 ppm1      8.234 ppm2      7.248 CV     1
 ASSI {  946}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 68   and name HN  ))
      2.300     0.700     0.700 peak   946 spectrum    1 weight  0.10000E+01 volume  0.16746E-01 ppm1      8.232 ppm2      6.875 CV     1
 ASSI {  948}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 68   and name HA  ))
      3.400     1.400     1.400 peak   948 spectrum    1 weight  0.10000E+01 volume  0.51659E-02 ppm1      8.237 ppm2      4.345 CV     1
 ASSI {  949}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 69   and name HA  ))
      2.800     1.000     1.000 peak   949 spectrum    1 weight  0.10000E+01 volume  0.91888E-02 ppm1      8.235 ppm2      4.184 CV     1
 ASSI {  950}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 66   and name HD2 ))
      4.400     2.500     1.600 peak   950 spectrum    1 weight  0.10000E+01 volume  0.24086E-02 ppm1      8.234 ppm2      3.637 CV     1
 ASSI {  951}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 66   and name HA  ))
      3.400     1.400     1.400 peak   951 spectrum    1 weight  0.10000E+01 volume  0.53808E-02 ppm1      8.233 ppm2      3.353 CV     1
 ASSI {  952}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 68   and name HG2 ))
      4.100     2.100     1.900 peak   952 spectrum    1 weight  0.10000E+01 volume  0.38428E-02 ppm1      8.232 ppm2      2.402 CV     1
 OR {  952}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 68   and name HG1 ))
 ASSI {  953}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 69   and name HB1 ))
      2.300     0.700     0.700 peak   953 spectrum    1 weight  0.10000E+01 volume  0.26835E-01 ppm1      8.233 ppm2      2.210 CV     1
 ASSI {  955}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 64   and name HB2 ))
      3.900     1.900     1.900 peak   955 spectrum    1 weight  0.10000E+01 volume  0.11259E-01 ppm1      8.229 ppm2      1.780 CV     1
 ASSI {  956}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 69   and name HG  ))
      4.200     2.300     1.800 peak   956 spectrum    1 weight  0.10000E+01 volume  0.57498E-02 ppm1      8.230 ppm2      1.623 CV     1
 ASSI {  957}
   (( segid "    " and resid 69   and name HN  ))
   (  segid "    " and resid 65   and name HB% )
      3.500     1.500     1.500 peak   957 spectrum    1 weight  0.10000E+01 volume  0.71883E-02 ppm1      8.232 ppm2      1.460 CV     1
 ASSI {  958}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 69   and name HB2 ))
      2.300     0.700     0.700 peak   958 spectrum    1 weight  0.10000E+01 volume  0.19077E-01 ppm1      8.233 ppm2      1.314 CV     1
 ASSI {  959}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 98   and name HG11))
      3.500     3.500     2.500 peak   959 spectrum    1 weight  0.10000E+01 volume  0.16669E-01 ppm1      8.234 ppm2      0.998 CV     1
 ASSI {  961}
   (( segid "    " and resid 69   and name HN  ))
   (  segid "    " and resid 64   and name HD1%)
      3.300     1.400     1.400 peak   961 spectrum    1 weight  0.10000E+01 volume  0.72417E-02 ppm1      8.231 ppm2      0.692 CV     1
 OR {  961}
   (( segid "    " and resid 69   and name HN  ))
   (  segid "    " and resid 64   and name HD2%)
 ASSI {  962}
   (( segid "    " and resid 69   and name HN  ))
   (  segid "    " and resid 111  and name HD1%)
      4.800     4.800     1.200 peak   962 spectrum    1 weight  0.10000E+01 volume  0.18790E-02 ppm1      8.230 ppm2      0.337 CV     1
 ASSI {  972}
   (( segid "    " and resid 141  and name HN  ))
   (( segid "    " and resid 137  and name HN  ))
      3.100     1.200     1.200 peak   972 spectrum    1 weight  0.10000E+01 volume  0.67260E-02 ppm1      7.982 ppm2      9.238 CV     1
 ASSI {  973}
   (( segid "    " and resid 141  and name HN  ))
   (( segid "    " and resid 142  and name HA  ))
      4.100     2.100     1.900 peak   973 spectrum    1 weight  0.10000E+01 volume  0.33721E-02 ppm1      7.987 ppm2      4.792 CV     1
 ASSI {  974}
   (( segid "    " and resid 141  and name HN  ))
   (( segid "    " and resid 137  and name HB2 ))
      2.600     0.900     0.900 peak   974 spectrum    1 weight  0.10000E+01 volume  0.93562E-02 ppm1      7.981 ppm2      3.363 CV     1
 ASSI {  975}
   (( segid "    " and resid 141  and name HN  ))
   (( segid "    " and resid 141  and name HG1 ))
      3.700     1.700     1.700 peak   975 spectrum    1 weight  0.10000E+01 volume  0.34217E-02 ppm1      7.984 ppm2      2.072 CV     1
 ASSI {  993}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 43   and name HD1 ))
      5.200     3.400     0.800 peak   993 spectrum    1 weight  0.10000E+01 volume  0.10086E-02 ppm1     10.314 ppm2      3.830 CV     1
 OR {  993}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 43   and name HD2 ))
 ASSI {  996}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 158  and name HE3 ))
      4.900     3.000     1.100 peak   996 spectrum    1 weight  0.10000E+01 volume  0.38762E-02 ppm1     10.304 ppm2      7.408 CV     1
 ASSI {  997}
   (( segid "    " and resid 42   and name HN  ))
   (  segid "    " and resid 53   and name HD% )
      4.500     2.600     1.500 peak   997 spectrum    1 weight  0.10000E+01 volume  0.56755E-03 ppm1     10.304 ppm2      6.527 CV     1
 ASSI {  998}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 41   and name HA  ))
      2.600     0.800     0.800 peak   998 spectrum    1 weight  0.10000E+01 volume  0.11688E-01 ppm1     10.306 ppm2      6.084 CV     1
 ASSI {  999}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 42   and name HA  ))
      3.200     1.300     1.300 peak   999 spectrum    1 weight  0.10000E+01 volume  0.44066E-02 ppm1     10.307 ppm2      5.150 CV     1
 ASSI { 1002}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 42   and name HB  ))
      4.000     2.000     2.000 peak  1002 spectrum    1 weight  0.10000E+01 volume  0.26900E-02 ppm1     10.306 ppm2      4.369 CV     1
 ASSI { 1003}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 158  and name HA  ))
      6.000     6.000     0.000 peak  1003 spectrum    1 weight  0.10000E+01 volume  0.14156E-03 ppm1     10.308 ppm2      3.997 CV     1
 ASSI { 1005}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 41   and name HB1 ))
      4.500     2.600     1.500 peak  1005 spectrum    1 weight  0.10000E+01 volume  0.31375E-02 ppm1     10.309 ppm2      1.720 CV     1
 OR { 1005}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 41   and name HB2 ))
 ASSI { 1006}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 41   and name HG2 ))
      3.300     1.400     1.400 peak  1006 spectrum    1 weight  0.10000E+01 volume  0.45841E-02 ppm1     10.308 ppm2      1.633 CV     1
 ASSI { 1007}
   (( segid "    " and resid 42   and name HN  ))
   (  segid "    " and resid 42   and name HG2%)
      3.200     1.300     1.300 peak  1007 spectrum    1 weight  0.10000E+01 volume  0.70730E-02 ppm1     10.307 ppm2      1.433 CV     1
 ASSI { 1010}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 19   and name HN  ))
      2.500     0.800     0.800 peak  1010 spectrum    1 weight  0.10000E+01 volume  0.19134E-01 ppm1      8.731 ppm2      8.130 CV     1
 ASSI { 1011}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 80   and name HE22))
      6.000     4.400     0.000 peak  1011 spectrum    1 weight  0.10000E+01 volume  0.66538E-03 ppm1      8.724 ppm2      7.890 CV     1
 ASSI { 1012}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 80   and name HE21))
      5.400     3.700     0.600 peak  1012 spectrum    1 weight  0.10000E+01 volume  0.99876E-03 ppm1      8.731 ppm2      7.445 CV     1
 ASSI { 1013}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 16   and name HN  ))
      3.900     1.900     1.900 peak  1013 spectrum    1 weight  0.10000E+01 volume  0.27633E-02 ppm1      8.732 ppm2      7.257 CV     1
 ASSI { 1015}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 17   and name HA  ))
      3.400     1.400     1.400 peak  1015 spectrum    1 weight  0.10000E+01 volume  0.47726E-02 ppm1      8.730 ppm2      3.979 CV     1
 ASSI { 1017}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 17   and name HG2 ))
      4.200     2.200     1.800 peak  1017 spectrum    1 weight  0.10000E+01 volume  0.55328E-02 ppm1      8.730 ppm2      2.647 CV     1
 OR { 1017}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 17   and name HG1 ))
 ASSI { 1019}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 17   and name HB2 ))
      2.500     0.800     0.800 peak  1019 spectrum    1 weight  0.10000E+01 volume  0.20213E-01 ppm1      8.731 ppm2      2.143 CV     1
 OR { 1019}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 17   and name HB1 ))
 ASSI { 1021}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 18   and name HB  ))
      2.400     0.700     0.700 peak  1021 spectrum    1 weight  0.10000E+01 volume  0.19373E-01 ppm1      8.731 ppm2      1.525 CV     1
 ASSI { 1022}
   (( segid "    " and resid 18   and name HN  ))
   (  segid "    " and resid 18   and name HG1%)
      3.600     1.600     1.600 peak  1022 spectrum    1 weight  0.10000E+01 volume  0.14173E-01 ppm1      8.731 ppm2      0.624 CV     1
 ASSI { 1024}
   (( segid "    " and resid 18   and name HN  ))
   (  segid "    " and resid 54   and name HD2%)
      4.700     2.700     1.300 peak  1024 spectrum    1 weight  0.10000E+01 volume  0.33695E-02 ppm1      8.730 ppm2     -0.630 CV     1
 ASSI { 1031}
   (( segid "    " and resid 154  and name HN  ))
   (( segid "    " and resid 153  and name HA  ))
      2.200     2.200     3.800 peak  1031 spectrum    1 weight  0.10000E+01 volume  0.51072E-01 ppm1      8.306 ppm2      4.568 CV     1
 ASSI { 1032}
   (( segid "    " and resid 154  and name HN  ))
   (( segid "    " and resid 154  and name HA  ))
      2.700     0.900     0.900 peak  1032 spectrum    1 weight  0.10000E+01 volume  0.16287E-01 ppm1      8.305 ppm2      2.961 CV     1
 ASSI { 1033}
   (( segid "    " and resid 154  and name HN  ))
   (( segid "    " and resid 153  and name HB1 ))
      3.200     1.300     1.300 peak  1033 spectrum    1 weight  0.10000E+01 volume  0.15413E-01 ppm1      8.306 ppm2      2.760 CV     1
 ASSI { 1035}
   (( segid "    " and resid 154  and name HN  ))
   (( segid "    " and resid 154  and name HB2 ))
      2.400     0.700     0.700 peak  1035 spectrum    1 weight  0.10000E+01 volume  0.41485E-01 ppm1      8.305 ppm2      1.415 CV     1
 OR { 1035}
   (( segid "    " and resid 154  and name HN  ))
   (( segid "    " and resid 154  and name HB1 ))
 ASSI { 1037}
   (( segid "    " and resid 154  and name HN  ))
   (( segid "    " and resid 154  and name HG2 ))
      3.100     1.200     1.200 peak  1037 spectrum    1 weight  0.10000E+01 volume  0.94300E-02 ppm1      8.306 ppm2      0.754 CV     1
 ASSI { 1040}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 55   and name HN  ))
      6.000     5.000     0.000 peak  1040 spectrum    1 weight  0.10000E+01 volume  0.44681E-03 ppm1      8.909 ppm2      9.429 CV     1
 ASSI { 1042}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 55   and name HD22))
      4.100     2.100     1.900 peak  1042 spectrum    1 weight  0.10000E+01 volume  0.31528E-02 ppm1      8.908 ppm2      7.991 CV     1
 ASSI { 1044}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 55   and name HA  ))
      2.700     0.900     0.900 peak  1044 spectrum    1 weight  0.10000E+01 volume  0.10840E-01 ppm1      8.909 ppm2      6.210 CV     1
 ASSI { 1045}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 8    and name HA2 ))
      2.900     2.900     3.100 peak  1045 spectrum    1 weight  0.10000E+01 volume  0.15368E-02 ppm1      8.910 ppm2      5.749 CV     1
 ASSI { 1047}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 55   and name HB2 ))
      3.900     1.900     1.900 peak  1047 spectrum    1 weight  0.10000E+01 volume  0.57038E-02 ppm1      8.911 ppm2      3.347 CV     1
 ASSI { 1048}
   (( segid "    " and resid 56   and name HN  ))
   (  segid "    " and resid 56   and name HB% )
      2.900     1.100     1.100 peak  1048 spectrum    1 weight  0.10000E+01 volume  0.13879E-01 ppm1      8.911 ppm2      1.423 CV     1
 ASSI { 1051}
   (( segid "    " and resid 56   and name HN  ))
   (  segid "    " and resid 58   and name HG1%)
      5.500     3.800     0.500 peak  1051 spectrum    1 weight  0.10000E+01 volume  0.40206E-03 ppm1      8.901 ppm2      0.988 CV     1
 OR { 1051}
   (( segid "    " and resid 56   and name HN  ))
   (  segid "    " and resid 58   and name HG2%)
 ASSI { 1056}
   (( segid "    " and resid 111  and name HN  ))
   (( segid "    " and resid 108  and name HN  ))
      3.400     1.500     1.500 peak  1056 spectrum    1 weight  0.10000E+01 volume  0.76991E-02 ppm1      7.632 ppm2      8.969 CV     1
 ASSI { 1059}
   (( segid "    " and resid 111  and name HN  ))
   (( segid "    " and resid 107  and name HA  ))
      4.900     3.000     1.100 peak  1059 spectrum    1 weight  0.10000E+01 volume  0.22943E-02 ppm1      7.631 ppm2      5.514 CV     1
 ASSI { 1060}
   (( segid "    " and resid 111  and name HN  ))
   (( segid "    " and resid 112  and name HA  ))
      6.000     6.000     0.000 peak  1060 spectrum    1 weight  0.10000E+01 volume  0.14427E-03 ppm1      7.633 ppm2      5.228 CV     1
 ASSI { 1063}
   (( segid "    " and resid 111  and name HN  ))
   (( segid "    " and resid 110  and name HA  ))
      3.400     1.400     1.400 peak  1063 spectrum    1 weight  0.10000E+01 volume  0.64427E-02 ppm1      7.630 ppm2      4.230 CV     1
 ASSI { 1064}
   (( segid "    " and resid 111  and name HN  ))
   (( segid "    " and resid 111  and name HA  ))
      2.800     1.000     1.000 peak  1064 spectrum    1 weight  0.10000E+01 volume  0.79609E-02 ppm1      7.633 ppm2      3.905 CV     1
 ASSI { 1065}
   (( segid "    " and resid 111  and name HN  ))
   (( segid "    " and resid 109  and name HB2 ))
      3.900     1.900     1.900 peak  1065 spectrum    1 weight  0.10000E+01 volume  0.60953E-02 ppm1      7.634 ppm2      2.035 CV     1
 ASSI { 1066}
   (( segid "    " and resid 111  and name HN  ))
   (( segid "    " and resid 110  and name HG2 ))
      4.300     2.300     1.700 peak  1066 spectrum    1 weight  0.10000E+01 volume  0.54623E-02 ppm1      7.633 ppm2      1.785 CV     1
 OR { 1066}
   (( segid "    " and resid 111  and name HN  ))
   (( segid "    " and resid 110  and name HG1 ))
 ASSI { 1067}
   (( segid "    " and resid 111  and name HN  ))
   (( segid "    " and resid 110  and name HB2 ))
      3.000     1.100     1.100 peak  1067 spectrum    1 weight  0.10000E+01 volume  0.59699E-02 ppm1      7.632 ppm2      1.647 CV     1
 ASSI { 1068}
   (( segid "    " and resid 111  and name HN  ))
   (( segid "    " and resid 111  and name HB2 ))
      2.600     0.800     0.800 peak  1068 spectrum    1 weight  0.10000E+01 volume  0.17853E-01 ppm1      7.632 ppm2      1.346 CV     1
 ASSI { 1069}
   (( segid "    " and resid 111  and name HN  ))
   (( segid "    " and resid 111  and name HB1 ))
      2.200     0.600     0.600 peak  1069 spectrum    1 weight  0.10000E+01 volume  0.19125E-01 ppm1      7.632 ppm2      0.921 CV     1
 ASSI { 1072}
   (( segid "    " and resid 111  and name HN  ))
   (  segid "    " and resid 111  and name HD1%)
      3.700     3.700     2.300 peak  1072 spectrum    1 weight  0.10000E+01 volume  0.11129E-01 ppm1      7.631 ppm2      0.346 CV     1
 ASSI { 1073}
   (( segid "    " and resid 111  and name HN  ))
   (( segid "    " and resid 71   and name HD21))
      3.100     3.100     2.900 peak  1073 spectrum    1 weight  0.10000E+01 volume  0.10853E-02 ppm1      7.626 ppm2      7.469 CV     1
 ASSI { 1075}
   (( segid "    " and resid 156  and name HN  ))
   (  segid "    " and resid 40   and name HD% )
      3.700     1.700     1.700 peak  1075 spectrum    1 weight  0.10000E+01 volume  0.46668E-02 ppm1      9.327 ppm2      7.052 CV     1
 ASSI { 1076}
   (( segid "    " and resid 156  and name HN  ))
   (( segid "    " and resid 154  and name HA  ))
      2.700     2.700     3.300 peak  1076 spectrum    1 weight  0.10000E+01 volume  0.23249E-02 ppm1      9.327 ppm2      3.005 CV     1
 ASSI { 1078}
   (( segid "    " and resid 156  and name HN  ))
   (( segid "    " and resid 155  and name HG  ))
      2.300     2.300     3.700 peak  1078 spectrum    1 weight  0.10000E+01 volume  0.58345E-02 ppm1      9.318 ppm2      0.777 CV     1
 ASSI { 1081}
   (( segid "    " and resid 105  and name HN  ))
   (( segid "    " and resid 105  and name HA  ))
      3.000     1.100     1.100 peak  1081 spectrum    1 weight  0.10000E+01 volume  0.68135E-02 ppm1      8.190 ppm2      4.652 CV     1
 ASSI { 1082}
   (( segid "    " and resid 105  and name HN  ))
   (( segid "    " and resid 104  and name HA  ))
      2.200     0.600     0.600 peak  1082 spectrum    1 weight  0.10000E+01 volume  0.47805E-01 ppm1      8.190 ppm2      4.265 CV     1
 ASSI { 1084}
   (( segid "    " and resid 105  and name HN  ))
   (( segid "    " and resid 104  and name HG2 ))
      4.500     2.600     1.500 peak  1084 spectrum    1 weight  0.10000E+01 volume  0.60811E-02 ppm1      8.194 ppm2      2.576 CV     1
 ASSI { 1085}
   (( segid "    " and resid 105  and name HN  ))
   (( segid "    " and resid 104  and name HB2 ))
      3.300     1.400     1.400 peak  1085 spectrum    1 weight  0.10000E+01 volume  0.10709E-01 ppm1      8.191 ppm2      2.389 CV     1
 ASSI { 1086}
   (( segid "    " and resid 105  and name HN  ))
   (  segid "    " and resid 105  and name HG2%)
      2.900     1.000     1.000 peak  1086 spectrum    1 weight  0.10000E+01 volume  0.27887E-01 ppm1      8.190 ppm2      1.032 CV     1
 OR { 1086}
   (( segid "    " and resid 105  and name HN  ))
   (  segid "    " and resid 105  and name HG1%)
 ASSI { 1087}
   (( segid "    " and resid 105  and name HN  ))
   (  segid "    " and resid 106  and name HD1%)
      4.600     2.700     1.400 peak  1087 spectrum    1 weight  0.10000E+01 volume  0.15369E-02 ppm1      8.193 ppm2      0.636 CV     1
 ASSI { 1088}
   (( segid "    " and resid 105  and name HN  ))
   (( segid "    " and resid 106  and name HN  ))
      3.700     1.700     1.700 peak  1088 spectrum    1 weight  0.10000E+01 volume  0.34266E-02 ppm1      8.188 ppm2      9.381 CV     1
 ASSI { 1090}
   (( segid "    " and resid 105  and name HN  ))
   (( segid "    " and resid 104  and name HB1 ))
      2.800     1.000     1.000 peak  1090 spectrum    1 weight  0.10000E+01 volume  0.10228E-01 ppm1      8.188 ppm2      2.182 CV     1
 ASSI { 1091}
   (( segid "    " and resid 105  and name HN  ))
   (( segid "    " and resid 105  and name HB  ))
      2.600     0.900     0.900 peak  1091 spectrum    1 weight  0.10000E+01 volume  0.19460E-01 ppm1      8.188 ppm2      2.008 CV     1
 ASSI { 1094}
   (( segid "    " and resid 118  and name HN  ))
   (( segid "    " and resid 121  and name HB2 ))
      4.100     2.100     1.900 peak  1094 spectrum    1 weight  0.10000E+01 volume  0.25382E-02 ppm1      7.557 ppm2      0.866 CV     1
 ASSI { 1095}
   (( segid "    " and resid 118  and name HN  ))
   (( segid "    " and resid 117  and name HN  ))
      2.300     0.600     0.600 peak  1095 spectrum    1 weight  0.10000E+01 volume  0.17730E-01 ppm1      7.548 ppm2      8.026 CV     1
 ASSI { 1099}
   (( segid "    " and resid 118  and name HN  ))
   (( segid "    " and resid 117  and name HA  ))
      3.700     1.700     1.700 peak  1099 spectrum    1 weight  0.10000E+01 volume  0.48431E-02 ppm1      7.547 ppm2      5.074 CV     1
 ASSI { 1101}
   (( segid "    " and resid 118  and name HN  ))
   (( segid "    " and resid 119  and name HA  ))
      3.900     1.900     1.900 peak  1101 spectrum    1 weight  0.10000E+01 volume  0.75970E-02 ppm1      7.549 ppm2      3.837 CV     1
 ASSI { 1102}
   (( segid "    " and resid 118  and name HN  ))
   (( segid "    " and resid 118  and name HG2 ))
      2.900     1.000     1.000 peak  1102 spectrum    1 weight  0.10000E+01 volume  0.92217E-02 ppm1      7.549 ppm2      3.318 CV     1
 OR { 1102}
   (( segid "    " and resid 118  and name HN  ))
   (( segid "    " and resid 118  and name HG1 ))
 ASSI { 1104}
   (( segid "    " and resid 118  and name HN  ))
   (( segid "    " and resid 124  and name HB2 ))
      4.100     2.100     1.900 peak  1104 spectrum    1 weight  0.10000E+01 volume  0.10903E-01 ppm1      7.548 ppm2      2.168 CV     1
 OR { 1104}
   (( segid "    " and resid 118  and name HN  ))
   (( segid "    " and resid 124  and name HB1 ))
 ASSI { 1106}
   (( segid "    " and resid 118  and name HN  ))
   (( segid "    " and resid 117  and name HB1 ))
      3.200     1.200     1.200 peak  1106 spectrum    1 weight  0.10000E+01 volume  0.47897E-02 ppm1      7.550 ppm2      1.523 CV     1
 ASSI { 1107}
   (( segid "    " and resid 118  and name HN  ))
   (( segid "    " and resid 119  and name HG2 ))
      3.500     1.500     1.500 peak  1107 spectrum    1 weight  0.10000E+01 volume  0.80688E-02 ppm1      7.551 ppm2      1.325 CV     1
 ASSI { 1111}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 25   and name HN  ))
      3.700     1.700     1.700 peak  1111 spectrum    1 weight  0.10000E+01 volume  0.28783E-02 ppm1      7.423 ppm2      9.349 CV     1
 ASSI { 1112}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 22   and name HN  ))
      2.400     0.700     0.700 peak  1112 spectrum    1 weight  0.10000E+01 volume  0.16473E-01 ppm1      7.423 ppm2      8.504 CV     1
 ASSI { 1114}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 19   and name HA  ))
      4.400     2.400     1.600 peak  1114 spectrum    1 weight  0.10000E+01 volume  0.17742E-02 ppm1      7.423 ppm2      4.586 CV     1
 ASSI { 1117}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 23   and name HB2 ))
      2.000     0.500     0.500 peak  1117 spectrum    1 weight  0.10000E+01 volume  0.64139E-01 ppm1      7.424 ppm2      1.958 CV     1
 OR { 1117}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 23   and name HB1 ))
 ASSI { 1123}
   (( segid "    " and resid 156  and name HN  ))
   (  segid "    " and resid 155  and name HD2%)
      4.300     2.300     1.700 peak  1123 spectrum    1 weight  0.10000E+01 volume  0.29408E-02 ppm1      9.325 ppm2      0.490 CV     1
 ASSI { 1125}
   (( segid "    " and resid 156  and name HN  ))
   (( segid "    " and resid 156  and name HD21))
      3.600     1.600     1.600 peak  1125 spectrum    1 weight  0.10000E+01 volume  0.61994E-02 ppm1      9.314 ppm2      7.785 CV     1
 ASSI { 1126}
   (( segid "    " and resid 156  and name HN  ))
   (( segid "    " and resid 156  and name HA  ))
      3.000     1.100     1.100 peak  1126 spectrum    1 weight  0.10000E+01 volume  0.10021E-01 ppm1      9.320 ppm2      4.931 CV     1
 ASSI { 1127}
   (( segid "    " and resid 156  and name HN  ))
   (( segid "    " and resid 155  and name HA  ))
      2.300     0.700     0.700 peak  1127 spectrum    1 weight  0.10000E+01 volume  0.27352E-01 ppm1      9.320 ppm2      4.454 CV     1
 ASSI { 1128}
   (( segid "    " and resid 156  and name HN  ))
   (( segid "    " and resid 156  and name HB1 ))
      2.700     0.900     0.900 peak  1128 spectrum    1 weight  0.10000E+01 volume  0.23127E-01 ppm1      9.320 ppm2      2.861 CV     1
 OR { 1128}
   (( segid "    " and resid 156  and name HN  ))
   (( segid "    " and resid 156  and name HB2 ))
 ASSI { 1129}
   (( segid "    " and resid 156  and name HN  ))
   (( segid "    " and resid 154  and name HB1 ))
      1.900     1.900     4.100 peak  1129 spectrum    1 weight  0.10000E+01 volume  0.17567E-01 ppm1      9.321 ppm2      1.409 CV     1
 OR { 1129}
   (( segid "    " and resid 156  and name HN  ))
   (( segid "    " and resid 154  and name HB2 ))
 ASSI { 1132}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 48   and name HE22))
      4.600     2.600     1.400 peak  1132 spectrum    1 weight  0.10000E+01 volume  0.17554E-02 ppm1      8.596 ppm2      7.784 CV     1
 ASSI { 1135}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 48   and name HE21))
      4.900     3.000     1.100 peak  1135 spectrum    1 weight  0.10000E+01 volume  0.51137E-03 ppm1      8.588 ppm2      7.054 CV     1
 ASSI { 1136}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 49   and name HA  ))
      6.000     5.100     0.000 peak  1136 spectrum    1 weight  0.10000E+01 volume  0.51569E-03 ppm1      8.590 ppm2      4.678 CV     1
 ASSI { 1137}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 47   and name HA  ))
      2.600     0.900     0.900 peak  1137 spectrum    1 weight  0.10000E+01 volume  0.26205E-01 ppm1      8.588 ppm2      4.470 CV     1
 ASSI { 1138}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 48   and name HA  ))
      2.700     0.900     0.900 peak  1138 spectrum    1 weight  0.10000E+01 volume  0.10308E-01 ppm1      8.589 ppm2      4.308 CV     1
 ASSI { 1141}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 48   and name HB1 ))
      3.100     1.200     1.200 peak  1141 spectrum    1 weight  0.10000E+01 volume  0.85726E-02 ppm1      8.589 ppm2      2.291 CV     1
 ASSI { 1144}
   (( segid "    " and resid 85   and name HN  ))
   (( segid "    " and resid 84   and name HD1 ))
      2.700     2.700     3.300 peak  1144 spectrum    1 weight  0.10000E+01 volume  0.26034E-02 ppm1      8.323 ppm2      3.223 CV     1
 OR { 1144}
   (( segid "    " and resid 85   and name HN  ))
   (( segid "    " and resid 84   and name HD2 ))
 ASSI { 1146}
   (( segid "    " and resid 85   and name HN  ))
   (( segid "    " and resid 85   and name HA  ))
      3.300     1.400     1.400 peak  1146 spectrum    1 weight  0.10000E+01 volume  0.57507E-02 ppm1      8.319 ppm2      4.445 CV     1
 ASSI { 1148}
   (( segid "    " and resid 129  and name HN  ))
   (( segid "    " and resid 130  and name HN  ))
      2.800     1.000     1.000 peak  1148 spectrum    1 weight  0.10000E+01 volume  0.77054E-02 ppm1      8.659 ppm2      7.751 CV     1
 ASSI { 1149}
   (( segid "    " and resid 129  and name HN  ))
   (  segid "    " and resid 129  and name HD% )
      4.400     2.400     1.600 peak  1149 spectrum    1 weight  0.10000E+01 volume  0.59010E-02 ppm1      8.659 ppm2      7.187 CV     1
 ASSI { 1153}
   (( segid "    " and resid 129  and name HN  ))
   (( segid "    " and resid 129  and name HB2 ))
      2.600     0.900     0.900 peak  1153 spectrum    1 weight  0.10000E+01 volume  0.12133E-01 ppm1      8.660 ppm2      3.172 CV     1
 ASSI { 1154}
   (( segid "    " and resid 129  and name HN  ))
   (( segid "    " and resid 129  and name HB1 ))
      2.500     0.800     0.800 peak  1154 spectrum    1 weight  0.10000E+01 volume  0.15961E-01 ppm1      8.659 ppm2      2.887 CV     1
 ASSI { 1155}
   (( segid "    " and resid 129  and name HN  ))
   (( segid "    " and resid 128  and name HB2 ))
      3.300     1.400     1.400 peak  1155 spectrum    1 weight  0.10000E+01 volume  0.11201E-01 ppm1      8.659 ppm2      2.026 CV     1
 ASSI { 1156}
   (( segid "    " and resid 129  and name HN  ))
   (( segid "    " and resid 133  and name HB1 ))
      4.000     2.000     2.000 peak  1156 spectrum    1 weight  0.10000E+01 volume  0.52646E-02 ppm1      8.659 ppm2      1.507 CV     1
 ASSI { 1157}
   (( segid "    " and resid 129  and name HN  ))
   (( segid "    " and resid 128  and name HG  ))
      4.000     2.000     2.000 peak  1157 spectrum    1 weight  0.10000E+01 volume  0.52975E-02 ppm1      8.659 ppm2      0.318 CV     1
 ASSI { 1158}
   (( segid "    " and resid 129  and name HN  ))
   (( segid "    " and resid 126  and name HA  ))
      3.100     1.200     1.200 peak  1158 spectrum    1 weight  0.10000E+01 volume  0.93911E-02 ppm1      8.656 ppm2      4.791 CV     1
 ASSI { 1159}
   (( segid "    " and resid 129  and name HN  ))
   (( segid "    " and resid 133  and name HA  ))
      5.100     3.200     0.900 peak  1159 spectrum    1 weight  0.10000E+01 volume  0.16992E-02 ppm1      8.655 ppm2      4.142 CV     1
 ASSI { 1162}
   (( segid "    " and resid 129  and name HN  ))
   (  segid "    " and resid 128  and name HD2%)
      3.500     1.500     1.500 peak  1162 spectrum    1 weight  0.10000E+01 volume  0.11794E-01 ppm1      8.657 ppm2      0.593 CV     1
 OR { 1162}
   (( segid "    " and resid 129  and name HN  ))
   (  segid "    " and resid 128  and name HD1%)
 ASSI { 1165}
   (( segid "    " and resid 87   and name HN  ))
   (( segid "    " and resid 86   and name HN  ))
      4.200     2.200     1.800 peak  1165 spectrum    1 weight  0.10000E+01 volume  0.60986E-02 ppm1      8.347 ppm2      7.738 CV     1
 ASSI { 1166}
   (( segid "    " and resid 87   and name HN  ))
   (( segid "    " and resid 86   and name HA  ))
      2.300     0.700     0.700 peak  1166 spectrum    1 weight  0.10000E+01 volume  0.33960E-01 ppm1      8.351 ppm2      4.287 CV     1
 ASSI { 1167}
   (( segid "    " and resid 87   and name HN  ))
   (( segid "    " and resid 87   and name HG2 ))
      3.800     1.800     1.800 peak  1167 spectrum    1 weight  0.10000E+01 volume  0.61801E-02 ppm1      8.356 ppm2      2.326 CV     1
 OR { 1167}
   (( segid "    " and resid 87   and name HN  ))
   (( segid "    " and resid 87   and name HG1 ))
 ASSI { 1168}
   (( segid "    " and resid 87   and name HN  ))
   (( segid "    " and resid 87   and name HB1 ))
      2.500     0.800     0.800 peak  1168 spectrum    1 weight  0.10000E+01 volume  0.33250E-01 ppm1      8.354 ppm2      2.000 CV     1
 OR { 1168}
   (( segid "    " and resid 87   and name HN  ))
   (( segid "    " and resid 87   and name HB2 ))
 ASSI { 1169}
   (( segid "    " and resid 87   and name HN  ))
   (  segid "    " and resid 86   and name HB% )
      3.200     1.200     1.200 peak  1169 spectrum    1 weight  0.10000E+01 volume  0.24378E-01 ppm1      8.353 ppm2      1.439 CV     1
 ASSI { 1170}
   (( segid "    " and resid 85   and name HN  ))
   (  segid "    " and resid 83   and name HG1%)
      3.300     3.300     2.700 peak  1170 spectrum    1 weight  0.10000E+01 volume  0.72998E-02 ppm1      8.322 ppm2      0.964 CV     1
 ASSI { 1171}
   (( segid "    " and resid 85   and name HN  ))
   (( segid "    " and resid 84   and name HN  ))
      4.200     2.200     1.800 peak  1171 spectrum    1 weight  0.10000E+01 volume  0.14137E-02 ppm1      8.319 ppm2      8.807 CV     1
 ASSI { 1173}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 3    and name HN  ))
      5.300     3.500     0.700 peak  1173 spectrum    1 weight  0.10000E+01 volume  0.92077E-03 ppm1      8.650 ppm2      9.238 CV     1
 ASSI { 1174}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 102  and name HN  ))
      3.800     1.800     1.800 peak  1174 spectrum    1 weight  0.10000E+01 volume  0.63287E-02 ppm1      8.651 ppm2      8.392 CV     1
 ASSI { 1175}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 100  and name HN  ))
      2.700     0.900     0.900 peak  1175 spectrum    1 weight  0.10000E+01 volume  0.85523E-02 ppm1      8.652 ppm2      7.520 CV     1
 ASSI { 1176}
   (( segid "    " and resid 4    and name HN  ))
   (  segid "    " and resid 4    and name HD% )
      2.700     0.900     0.900 peak  1176 spectrum    1 weight  0.10000E+01 volume  0.81520E-02 ppm1      8.651 ppm2      6.829 CV     1
 ASSI { 1177}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 4    and name HA  ))
      3.000     1.100     1.100 peak  1177 spectrum    1 weight  0.10000E+01 volume  0.59293E-02 ppm1      8.651 ppm2      5.559 CV     1
 ASSI { 1178}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 3    and name HA  ))
      2.100     0.600     0.600 peak  1178 spectrum    1 weight  0.10000E+01 volume  0.25372E-01 ppm1      8.651 ppm2      4.960 CV     1
 ASSI { 1179}
   (( segid "    " and resid 129  and name HN  ))
   (( segid "    " and resid 127  and name HA  ))
      3.100     1.200     1.200 peak  1179 spectrum    1 weight  0.10000E+01 volume  0.81374E-02 ppm1      8.652 ppm2      4.548 CV     1
 ASSI { 1181}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 4    and name HB1 ))
      2.900     1.000     1.000 peak  1181 spectrum    1 weight  0.10000E+01 volume  0.13324E-01 ppm1      8.650 ppm2      2.733 CV     1
 ASSI { 1198}
   (( segid "    " and resid 155  and name HN  ))
   (( segid "    " and resid 156  and name HN  ))
      3.700     1.700     1.700 peak  1198 spectrum    1 weight  0.10000E+01 volume  0.53460E-02 ppm1      7.673 ppm2      9.312 CV     1
 ASSI { 1200}
   (( segid "    " and resid 155  and name HN  ))
   (( segid "    " and resid 154  and name HN  ))
      4.500     2.500     1.500 peak  1200 spectrum    1 weight  0.10000E+01 volume  0.42425E-02 ppm1      7.676 ppm2      8.293 CV     1
 ASSI { 1202}
   (( segid "    " and resid 155  and name HN  ))
   (  segid "    " and resid 40   and name HD% )
      4.100     2.100     1.900 peak  1202 spectrum    1 weight  0.10000E+01 volume  0.29550E-02 ppm1      7.673 ppm2      7.038 CV     1
 ASSI { 1203}
   (( segid "    " and resid 155  and name HN  ))
   (( segid "    " and resid 126  and name HD1 ))
      3.800     1.800     1.800 peak  1203 spectrum    1 weight  0.10000E+01 volume  0.40727E-02 ppm1      7.677 ppm2      6.716 CV     1
 ASSI { 1204}
   (( segid "    " and resid 155  and name HN  ))
   (( segid "    " and resid 155  and name HA  ))
      2.600     0.800     0.800 peak  1204 spectrum    1 weight  0.10000E+01 volume  0.94374E-02 ppm1      7.677 ppm2      4.454 CV     1
 ASSI { 1205}
   (( segid "    " and resid 155  and name HN  ))
   (( segid "    " and resid 154  and name HA  ))
      2.500     0.800     0.800 peak  1205 spectrum    1 weight  0.10000E+01 volume  0.36870E-01 ppm1      7.677 ppm2      2.963 CV     1
 ASSI { 1206}
   (( segid "    " and resid 155  and name HN  ))
   (( segid "    " and resid 154  and name HB1 ))
      1.900     0.400     0.400 peak  1206 spectrum    1 weight  0.10000E+01 volume  0.57075E-01 ppm1      7.677 ppm2      1.412 CV     1
 OR { 1206}
   (( segid "    " and resid 155  and name HN  ))
   (( segid "    " and resid 154  and name HB2 ))
 ASSI { 1207}
   (( segid "    " and resid 155  and name HN  ))
   (( segid "    " and resid 154  and name HG1 ))
      4.200     2.200     1.800 peak  1207 spectrum    1 weight  0.10000E+01 volume  0.77899E-02 ppm1      7.674 ppm2      1.200 CV     1
 ASSI { 1208}
   (( segid "    " and resid 155  and name HN  ))
   (( segid "    " and resid 154  and name HG2 ))
      3.700     1.700     1.700 peak  1208 spectrum    1 weight  0.10000E+01 volume  0.15057E-01 ppm1      7.678 ppm2      0.765 CV     1
 ASSI { 1209}
   (( segid "    " and resid 155  and name HN  ))
   (  segid "    " and resid 155  and name HD2%)
      3.200     1.300     1.300 peak  1209 spectrum    1 weight  0.10000E+01 volume  0.83016E-02 ppm1      7.677 ppm2      0.494 CV     1
 OR { 1209}
   (( segid "    " and resid 155  and name HN  ))
   (  segid "    " and resid 155  and name HD1%)
 ASSI { 1211}
   (( segid "    " and resid 151  and name HN  ))
   (( segid "    " and resid 149  and name HN  ))
      4.500     2.500     1.500 peak  1211 spectrum    1 weight  0.10000E+01 volume  0.21658E-02 ppm1      7.520 ppm2      8.353 CV     1
 ASSI { 1212}
   (( segid "    " and resid 151  and name HN  ))
   (( segid "    " and resid 150  and name HN  ))
      2.500     0.800     0.800 peak  1212 spectrum    1 weight  0.10000E+01 volume  0.11682E-01 ppm1      7.523 ppm2      7.854 CV     1
 ASSI { 1214}
   (( segid "    " and resid 151  and name HN  ))
   (( segid "    " and resid 152  and name HN  ))
      2.600     0.800     0.800 peak  1214 spectrum    1 weight  0.10000E+01 volume  0.15100E-01 ppm1      7.523 ppm2      7.202 CV     1
 ASSI { 1215}
   (( segid "    " and resid 151  and name HN  ))
   (  segid "    " and resid 152  and name HD% )
      3.900     1.900     1.900 peak  1215 spectrum    1 weight  0.10000E+01 volume  0.34729E-02 ppm1      7.525 ppm2      7.053 CV     1
 ASSI { 1216}
   (( segid "    " and resid 151  and name HN  ))
   (( segid "    " and resid 152  and name HA  ))
      6.000     6.000     0.000 peak  1216 spectrum    1 weight  0.10000E+01 volume  0.12813E-03 ppm1      7.520 ppm2      4.637 CV     1
 ASSI { 1217}
   (( segid "    " and resid 151  and name HN  ))
   (( segid "    " and resid 148  and name HA  ))
      4.000     2.000     2.000 peak  1217 spectrum    1 weight  0.10000E+01 volume  0.18698E-02 ppm1      7.522 ppm2      4.462 CV     1
 ASSI { 1219}
   (( segid "    " and resid 151  and name HN  ))
   (( segid "    " and resid 147  and name HA  ))
      3.600     1.600     1.600 peak  1219 spectrum    1 weight  0.10000E+01 volume  0.21581E-02 ppm1      7.521 ppm2      3.679 CV     1
 ASSI { 1220}
   (( segid "    " and resid 151  and name HN  ))
   (( segid "    " and resid 152  and name HB2 ))
      6.000     4.900     0.000 peak  1220 spectrum    1 weight  0.10000E+01 volume  0.40570E-03 ppm1      7.519 ppm2      3.365 CV     1
 ASSI { 1224}
   (( segid "    " and resid 151  and name HN  ))
   (( segid "    " and resid 147  and name HG  ))
      2.200     2.200     3.800 peak  1224 spectrum    1 weight  0.10000E+01 volume  0.93138E-02 ppm1      7.522 ppm2      0.890 CV     1
 ASSI { 1225}
   (( segid "    " and resid 151  and name HN  ))
   (( segid "    " and resid 147  and name HB2 ))
      2.900     2.900     3.100 peak  1225 spectrum    1 weight  0.10000E+01 volume  0.14552E-02 ppm1      7.518 ppm2      0.689 CV     1
 ASSI { 1228}
   (( segid "    " and resid 122  and name HN  ))
   (( segid "    " and resid 123  and name HN  ))
      2.600     0.900     0.900 peak  1228 spectrum    1 weight  0.10000E+01 volume  0.80101E-02 ppm1      9.411 ppm2      6.955 CV     1
 ASSI { 1231}
   (( segid "    " and resid 122  and name HN  ))
   (( segid "    " and resid 154  and name HE2 ))
      3.100     1.200     1.200 peak  1231 spectrum    1 weight  0.10000E+01 volume  0.69517E-02 ppm1      9.412 ppm2      2.850 CV     1
 OR { 1231}
   (( segid "    " and resid 122  and name HN  ))
   (( segid "    " and resid 154  and name HE1 ))
 ASSI { 1232}
   (( segid "    " and resid 122  and name HN  ))
   (( segid "    " and resid 155  and name HG  ))
      3.600     1.600     1.600 peak  1232 spectrum    1 weight  0.10000E+01 volume  0.40433E-02 ppm1      9.413 ppm2      0.826 CV     1
 ASSI { 1235}
   (( segid "    " and resid 109  and name HN  ))
   (( segid "    " and resid 111  and name HG  ))
      6.000     6.000     0.000 peak  1235 spectrum    1 weight  0.10000E+01 volume  0.12646E-03 ppm1      8.881 ppm2      1.060 CV     1
 ASSI { 1238}
   (( segid "    " and resid 109  and name HN  ))
   (( segid "    " and resid 111  and name HN  ))
      3.600     1.700     1.700 peak  1238 spectrum    1 weight  0.10000E+01 volume  0.34927E-02 ppm1      8.875 ppm2      7.625 CV     1
 ASSI { 1240}
   (( segid "    " and resid 109  and name HN  ))
   (( segid "    " and resid 108  and name HB  ))
      2.000     0.500     0.500 peak  1240 spectrum    1 weight  0.10000E+01 volume  0.28690E-01 ppm1      8.876 ppm2      4.660 CV     1
 ASSI { 1241}
   (( segid "    " and resid 109  and name HN  ))
   (( segid "    " and resid 110  and name HA  ))
      6.000     4.700     0.000 peak  1241 spectrum    1 weight  0.10000E+01 volume  0.44372E-03 ppm1      8.878 ppm2      4.235 CV     1
 ASSI { 1242}
   (( segid "    " and resid 109  and name HN  ))
   (( segid "    " and resid 109  and name HA  ))
      2.700     0.900     0.900 peak  1242 spectrum    1 weight  0.10000E+01 volume  0.14612E-01 ppm1      8.875 ppm2      4.031 CV     1
 ASSI { 1243}
   (( segid "    " and resid 109  and name HN  ))
   (( segid "    " and resid 109  and name HG2 ))
      3.000     1.100     1.100 peak  1243 spectrum    1 weight  0.10000E+01 volume  0.85571E-02 ppm1      8.876 ppm2      2.302 CV     1
 ASSI { 1244}
   (( segid "    " and resid 109  and name HN  ))
   (( segid "    " and resid 109  and name HB2 ))
      2.300     0.700     0.700 peak  1244 spectrum    1 weight  0.10000E+01 volume  0.35769E-01 ppm1      8.875 ppm2      2.042 CV     1
 OR { 1244}
   (( segid "    " and resid 109  and name HN  ))
   (( segid "    " and resid 109  and name HB1 ))
 ASSI { 1245}
   (( segid "    " and resid 109  and name HN  ))
   (( segid "    " and resid 110  and name HG2 ))
      5.100     3.300     0.900 peak  1245 spectrum    1 weight  0.10000E+01 volume  0.20183E-02 ppm1      8.873 ppm2      1.786 CV     1
 OR { 1245}
   (( segid "    " and resid 109  and name HN  ))
   (( segid "    " and resid 110  and name HG1 ))
 ASSI { 1246}
   (( segid "    " and resid 109  and name HN  ))
   (  segid "    " and resid 108  and name HG2%)
      3.800     1.800     1.800 peak  1246 spectrum    1 weight  0.10000E+01 volume  0.15829E-01 ppm1      8.875 ppm2      1.220 CV     1
 ASSI { 1248}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 80   and name HE22))
      6.000     5.600     0.000 peak  1248 spectrum    1 weight  0.10000E+01 volume  0.42513E-03 ppm1      8.166 ppm2      7.894 CV     1
 ASSI { 1249}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 17   and name HE21))
      4.900     3.000     1.100 peak  1249 spectrum    1 weight  0.10000E+01 volume  0.35064E-02 ppm1      8.171 ppm2      7.704 CV     1
 ASSI { 1250}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 80   and name HE21))
      6.000     5.900     0.000 peak  1250 spectrum    1 weight  0.10000E+01 volume  0.40271E-03 ppm1      8.175 ppm2      7.439 CV     1
 ASSI { 1251}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 16   and name HN  ))
      2.600     0.800     0.800 peak  1251 spectrum    1 weight  0.10000E+01 volume  0.14471E-01 ppm1      8.169 ppm2      7.259 CV     1
 ASSI { 1252}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 17   and name HE22))
      4.800     2.900     1.200 peak  1252 spectrum    1 weight  0.10000E+01 volume  0.58049E-02 ppm1      8.172 ppm2      6.841 CV     1
 ASSI { 1254}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 14   and name HA  ))
      3.300     1.300     1.300 peak  1254 spectrum    1 weight  0.10000E+01 volume  0.64868E-02 ppm1      8.167 ppm2      4.331 CV     1
 ASSI { 1255}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 16   and name HA  ))
      3.000     1.100     1.100 peak  1255 spectrum    1 weight  0.10000E+01 volume  0.10449E-01 ppm1      8.170 ppm2      4.100 CV     1
 ASSI { 1256}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 17   and name HA  ))
      2.700     0.900     0.900 peak  1256 spectrum    1 weight  0.10000E+01 volume  0.11525E-01 ppm1      8.170 ppm2      3.988 CV     1
 ASSI { 1258}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 17   and name HG2 ))
      2.600     0.800     0.800 peak  1258 spectrum    1 weight  0.10000E+01 volume  0.18271E-01 ppm1      8.171 ppm2      2.635 CV     1
 OR { 1258}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 17   and name HG1 ))
 ASSI { 1259}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 16   and name HB1 ))
      2.900     1.100     1.100 peak  1259 spectrum    1 weight  0.10000E+01 volume  0.16815E-01 ppm1      8.170 ppm2      2.288 CV     1
 ASSI { 1261}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 14   and name HB1 ))
      5.400     3.700     0.600 peak  1261 spectrum    1 weight  0.10000E+01 volume  0.10192E-02 ppm1      8.168 ppm2      1.872 CV     1
 ASSI { 1262}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 15   and name HB2 ))
      5.100     3.300     0.900 peak  1262 spectrum    1 weight  0.10000E+01 volume  0.29592E-02 ppm1      8.172 ppm2      1.711 CV     1
 ASSI { 1263}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 15   and name HG  ))
      4.000     2.000     2.000 peak  1263 spectrum    1 weight  0.10000E+01 volume  0.66827E-02 ppm1      8.171 ppm2      1.503 CV     1
 ASSI { 1269}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 19   and name HD21))
      3.100     1.200     1.200 peak  1269 spectrum    1 weight  0.10000E+01 volume  0.56924E-02 ppm1      8.103 ppm2      7.394 CV     1
 ASSI { 1271}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 19   and name HD22))
      3.900     1.900     1.900 peak  1271 spectrum    1 weight  0.10000E+01 volume  0.48017E-02 ppm1      8.101 ppm2      6.769 CV     1
 ASSI { 1272}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 19   and name HA  ))
      2.900     1.100     1.100 peak  1272 spectrum    1 weight  0.10000E+01 volume  0.10584E-01 ppm1      8.101 ppm2      4.585 CV     1
 ASSI { 1273}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 16   and name HA  ))
      3.200     1.200     1.200 peak  1273 spectrum    1 weight  0.10000E+01 volume  0.10039E-01 ppm1      8.101 ppm2      4.107 CV     1
 ASSI { 1275}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 19   and name HB2 ))
      2.400     0.700     0.700 peak  1275 spectrum    1 weight  0.10000E+01 volume  0.17012E-01 ppm1      8.102 ppm2      2.851 CV     1
 ASSI { 1276}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 19   and name HB1 ))
      3.600     1.700     1.700 peak  1276 spectrum    1 weight  0.10000E+01 volume  0.12358E-01 ppm1      8.102 ppm2      2.684 CV     1
 ASSI { 1281}
   (( segid "    " and resid 19   and name HN  ))
   (  segid "    " and resid 22   and name HD1%)
      4.400     2.400     1.600 peak  1281 spectrum    1 weight  0.10000E+01 volume  0.36369E-02 ppm1      8.101 ppm2      1.131 CV     1
 ASSI { 1283}
   (( segid "    " and resid 19   and name HN  ))
   (  segid "    " and resid 18   and name HG1%)
      3.600     1.600     1.600 peak  1283 spectrum    1 weight  0.10000E+01 volume  0.54973E-02 ppm1      8.101 ppm2      0.633 CV     1
 ASSI { 1284}
   (( segid "    " and resid 19   and name HN  ))
   (  segid "    " and resid 18   and name HG2%)
      4.000     2.000     2.000 peak  1284 spectrum    1 weight  0.10000E+01 volume  0.75381E-02 ppm1      8.102 ppm2      0.227 CV     1
 ASSI { 1285}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 80   and name HE22))
      5.100     3.200     0.900 peak  1285 spectrum    1 weight  0.10000E+01 volume  0.13964E-02 ppm1      8.096 ppm2      7.912 CV     1
 ASSI { 1287}
   (( segid "    " and resid 150  and name HN  ))
   (( segid "    " and resid 152  and name HN  ))
      4.300     2.300     1.700 peak  1287 spectrum    1 weight  0.10000E+01 volume  0.60208E-02 ppm1      7.854 ppm2      7.187 CV     1
 ASSI { 1293}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 68   and name HN  ))
      4.000     2.000     2.000 peak  1293 spectrum    1 weight  0.10000E+01 volume  0.41748E-02 ppm1      7.844 ppm2      6.877 CV     1
 ASSI { 1294}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 70   and name HA  ))
      2.900     1.000     1.000 peak  1294 spectrum    1 weight  0.10000E+01 volume  0.77114E-02 ppm1      7.840 ppm2      4.580 CV     1
 ASSI { 1297}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 66   and name HA  ))
      3.300     1.300     1.300 peak  1297 spectrum    1 weight  0.10000E+01 volume  0.10464E-01 ppm1      7.842 ppm2      3.348 CV     1
 ASSI { 1298}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 98   and name HG12))
      3.000     1.100     1.100 peak  1298 spectrum    1 weight  0.10000E+01 volume  0.14484E-01 ppm1      7.841 ppm2      1.860 CV     1
 ASSI { 1299}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 69   and name HG  ))
      4.100     2.100     1.900 peak  1299 spectrum    1 weight  0.10000E+01 volume  0.41130E-02 ppm1      7.842 ppm2      1.613 CV     1
 ASSI { 1301}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 98   and name HG11))
      2.700     0.900     0.900 peak  1301 spectrum    1 weight  0.10000E+01 volume  0.19412E-01 ppm1      7.842 ppm2      0.981 CV     1
 ASSI { 1304}
   (( segid "    " and resid 70   and name HN  ))
   (  segid "    " and resid 111  and name HD1%)
      3.500     3.500     2.500 peak  1304 spectrum    1 weight  0.10000E+01 volume  0.86077E-02 ppm1      7.843 ppm2      0.342 CV     1
 ASSI { 1306}
   (( segid "    " and resid 92   and name HN  ))
   (( segid "    " and resid 93   and name HN  ))
      5.300     3.500     0.700 peak  1306 spectrum    1 weight  0.10000E+01 volume  0.57751E-03 ppm1      9.324 ppm2      8.743 CV     1
 ASSI { 1307}
   (( segid "    " and resid 92   and name HN  ))
   (( segid "    " and resid 10   and name HN  ))
      5.300     3.500     0.700 peak  1307 spectrum    1 weight  0.10000E+01 volume  0.68194E-03 ppm1      9.326 ppm2      8.465 CV     1
 ASSI { 1308}
   (( segid "    " and resid 92   and name HN  ))
   (( segid "    " and resid 48   and name HE22))
      5.800     4.200     0.200 peak  1308 spectrum    1 weight  0.10000E+01 volume  0.41823E-03 ppm1      9.327 ppm2      7.791 CV     1
 ASSI { 1309}
   (( segid "    " and resid 92   and name HN  ))
   (( segid "    " and resid 91   and name HA  ))
      2.900     1.000     1.000 peak  1309 spectrum    1 weight  0.10000E+01 volume  0.10776E-01 ppm1      9.323 ppm2      4.735 CV     1
 ASSI { 1310}
   (( segid "    " and resid 92   and name HN  ))
   (( segid "    " and resid 92   and name HD1 ))
      3.700     1.700     1.700 peak  1310 spectrum    1 weight  0.10000E+01 volume  0.41286E-02 ppm1      9.323 ppm2      3.332 CV     1
 ASSI { 1312}
   (( segid "    " and resid 92   and name HN  ))
   (( segid "    " and resid 11   and name HG  ))
      4.800     2.800     1.200 peak  1312 spectrum    1 weight  0.10000E+01 volume  0.18102E-02 ppm1      9.327 ppm2      0.821 CV     1
 ASSI { 1313}
   (( segid "    " and resid 92   and name HN  ))
   (  segid "    " and resid 11   and name HD1%)
      4.700     2.800     1.300 peak  1313 spectrum    1 weight  0.10000E+01 volume  0.28120E-02 ppm1      9.327 ppm2      0.744 CV     1
 OR { 1313}
   (( segid "    " and resid 92   and name HN  ))
   (  segid "    " and resid 11   and name HD2%)
 ASSI { 1314}
   (( segid "    " and resid 92   and name HN  ))
   (( segid "    " and resid 50   and name HN  ))
      3.200     3.200     2.800 peak  1314 spectrum    1 weight  0.10000E+01 volume  0.86524E-03 ppm1      9.322 ppm2      7.823 CV     1
 ASSI { 1315}
   (( segid "    " and resid 92   and name HN  ))
   (( segid "    " and resid 11   and name HN  ))
      4.400     2.400     1.600 peak  1315 spectrum    1 weight  0.10000E+01 volume  0.20065E-02 ppm1      9.319 ppm2      6.988 CV     1
 ASSI { 1316}
   (( segid "    " and resid 92   and name HN  ))
   (( segid "    " and resid 92   and name HA  ))
      3.100     1.200     1.200 peak  1316 spectrum    1 weight  0.10000E+01 volume  0.41817E-02 ppm1      9.321 ppm2      4.920 CV     1
 ASSI { 1318}
   (( segid "    " and resid 92   and name HN  ))
   (( segid "    " and resid 48   and name HB2 ))
      3.100     1.200     1.200 peak  1318 spectrum    1 weight  0.10000E+01 volume  0.93488E-02 ppm1      9.322 ppm2      2.055 CV     1
 ASSI { 1320}
   (( segid "    " and resid 92   and name HN  ))
   (( segid "    " and resid 92   and name HB2 ))
      4.100     2.100     1.900 peak  1320 spectrum    1 weight  0.10000E+01 volume  0.19917E-02 ppm1      9.317 ppm2      1.646 CV     1
 ASSI { 1325}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 11   and name HB2 ))
      3.600     1.600     1.600 peak  1325 spectrum    1 weight  0.10000E+01 volume  0.55118E-02 ppm1      8.156 ppm2      0.949 CV     1
 ASSI { 1331}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 77   and name HA  ))
      3.700     1.700     1.700 peak  1331 spectrum    1 weight  0.10000E+01 volume  0.23907E-02 ppm1      7.985 ppm2      3.759 CV     1
 ASSI { 1332}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 76   and name HA  ))
      4.300     2.400     1.700 peak  1332 spectrum    1 weight  0.10000E+01 volume  0.15450E-02 ppm1      7.976 ppm2      3.588 CV     1
 ASSI { 1333}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 79   and name HB1 ))
      4.700     2.700     1.300 peak  1333 spectrum    1 weight  0.10000E+01 volume  0.28668E-02 ppm1      7.980 ppm2      2.290 CV     1
 ASSI { 1334}
   (( segid "    " and resid 150  and name HN  ))
   (( segid "    " and resid 149  and name HN  ))
      2.400     0.700     0.700 peak  1334 spectrum    1 weight  0.10000E+01 volume  0.14020E-01 ppm1      7.857 ppm2      8.355 CV     1
 ASSI { 1342}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 74   and name HN  ))
      5.300     3.500     0.700 peak  1342 spectrum    1 weight  0.10000E+01 volume  0.50368E-03 ppm1      7.775 ppm2      8.936 CV     1
 ASSI { 1345}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 72   and name HB2 ))
      2.700     0.900     0.900 peak  1345 spectrum    1 weight  0.10000E+01 volume  0.12606E-01 ppm1      7.779 ppm2      2.969 CV     1
 ASSI { 1346}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 71   and name HB1 ))
      3.000     1.100     1.100 peak  1346 spectrum    1 weight  0.10000E+01 volume  0.78069E-02 ppm1      7.779 ppm2      2.627 CV     1
 ASSI { 1352}
   (( segid "    " and resid 121  and name HN  ))
   (( segid "    " and resid 122  and name HN  ))
      5.900     4.400     0.100 peak  1352 spectrum    1 weight  0.10000E+01 volume  0.44882E-03 ppm1      6.995 ppm2      9.403 CV     1
 ASSI { 1353}
   (( segid "    " and resid 121  and name HN  ))
   (( segid "    " and resid 119  and name HN  ))
      3.300     1.400     1.400 peak  1353 spectrum    1 weight  0.10000E+01 volume  0.78236E-02 ppm1      7.000 ppm2      8.114 CV     1
 ASSI { 1354}
   (( segid "    " and resid 121  and name HN  ))
   (( segid "    " and resid 120  and name HN  ))
      2.600     0.900     0.900 peak  1354 spectrum    1 weight  0.10000E+01 volume  0.17241E-01 ppm1      6.998 ppm2      7.412 CV     1
 ASSI { 1357}
   (( segid "    " and resid 121  and name HN  ))
   (( segid "    " and resid 120  and name HA  ))
      3.000     1.200     1.200 peak  1357 spectrum    1 weight  0.10000E+01 volume  0.66316E-02 ppm1      6.998 ppm2      5.015 CV     1
 ASSI { 1358}
   (( segid "    " and resid 121  and name HN  ))
   (( segid "    " and resid 121  and name HA  ))
      2.700     0.900     0.900 peak  1358 spectrum    1 weight  0.10000E+01 volume  0.14198E-01 ppm1      6.999 ppm2      4.127 CV     1
 ASSI { 1361}
   (( segid "    " and resid 121  and name HN  ))
   (( segid "    " and resid 120  and name HB1 ))
      4.100     2.100     1.900 peak  1361 spectrum    1 weight  0.10000E+01 volume  0.68162E-02 ppm1      7.000 ppm2      2.494 CV     1
 ASSI { 1362}
   (( segid "    " and resid 121  and name HN  ))
   (( segid "    " and resid 121  and name HD2 ))
      4.100     2.100     1.900 peak  1362 spectrum    1 weight  0.10000E+01 volume  0.64156E-02 ppm1      6.997 ppm2      2.338 CV     1
 ASSI { 1366}
   (( segid "    " and resid 121  and name HN  ))
   (  segid "    " and resid 125  and name HD1%)
      3.300     1.300     1.300 peak  1366 spectrum    1 weight  0.10000E+01 volume  0.45988E-02 ppm1      6.999 ppm2      0.458 CV     1
 OR { 1366}
   (( segid "    " and resid 121  and name HN  ))
   (  segid "    " and resid 125  and name HD2%)
 ASSI { 1367}
   (( segid "    " and resid 121  and name HN  ))
   (( segid "    " and resid 125  and name HG  ))
      3.100     1.200     1.200 peak  1367 spectrum    1 weight  0.10000E+01 volume  0.54084E-02 ppm1      6.999 ppm2      0.335 CV     1
 ASSI { 1368}
   (( segid "    " and resid 121  and name HN  ))
   (( segid "    " and resid 121  and name HB1 ))
      3.800     1.800     1.800 peak  1368 spectrum    1 weight  0.10000E+01 volume  0.60839E-02 ppm1      6.999 ppm2     -0.665 CV     1
 ASSI { 1369}
   (( segid "    " and resid 121  and name HN  ))
   (( segid "    " and resid 124  and name HN  ))
      5.100     3.300     0.900 peak  1369 spectrum    1 weight  0.10000E+01 volume  0.10930E-02 ppm1      6.990 ppm2      6.522 CV     1
 ASSI { 1370}
   (( segid "    " and resid 92   and name HN  ))
   (( segid "    " and resid 10   and name HD22))
      4.800     2.900     1.200 peak  1370 spectrum    1 weight  0.10000E+01 volume  0.55874E-03 ppm1      9.327 ppm2      6.479 CV     1
 ASSI { 1372}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 11   and name HA  ))
      2.700     0.900     0.900 peak  1372 spectrum    1 weight  0.10000E+01 volume  0.16285E-01 ppm1      8.153 ppm2      4.493 CV     1
 ASSI { 1373}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 12   and name HA  ))
      2.700     0.900     0.900 peak  1373 spectrum    1 weight  0.10000E+01 volume  0.20650E-01 ppm1      8.152 ppm2      3.875 CV     1
 ASSI { 1375}
   (( segid "    " and resid 12   and name HN  ))
   (  segid "    " and resid 11   and name HD2%)
      3.800     1.800     1.800 peak  1375 spectrum    1 weight  0.10000E+01 volume  0.12344E-01 ppm1      8.152 ppm2      0.769 CV     1
 OR { 1375}
   (( segid "    " and resid 12   and name HN  ))
   (  segid "    " and resid 11   and name HD1%)
 ASSI { 1376}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 11   and name HN  ))
      4.300     2.300     1.700 peak  1376 spectrum    1 weight  0.10000E+01 volume  0.88392E-03 ppm1      8.147 ppm2      6.979 CV     1
 ASSI { 1377}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 14   and name HD2 ))
      5.700     4.100     0.300 peak  1377 spectrum    1 weight  0.10000E+01 volume  0.17784E-02 ppm1      8.148 ppm2      3.704 CV     1
 ASSI { 1378}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 14   and name HD1 ))
      4.400     2.400     1.600 peak  1378 spectrum    1 weight  0.10000E+01 volume  0.18215E-02 ppm1      8.148 ppm2      3.618 CV     1
 ASSI { 1382}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 74   and name HB1 ))
      2.500     2.500     3.500 peak  1382 spectrum    1 weight  0.10000E+01 volume  0.21101E-01 ppm1      7.986 ppm2      1.937 CV     1
 ASSI { 1387}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 78   and name HG  ))
      2.400     0.700     0.700 peak  1387 spectrum    1 weight  0.10000E+01 volume  0.11827E-01 ppm1      7.983 ppm2      0.976 CV     1
 ASSI { 1390}
   (( segid "    " and resid 78   and name HN  ))
   (  segid "    " and resid 96   and name HD2%)
      6.000     6.000     0.000 peak  1390 spectrum    1 weight  0.10000E+01 volume  0.13597E-03 ppm1      7.979 ppm2      1.136 CV     1
 OR { 1390}
   (( segid "    " and resid 78   and name HN  ))
   (  segid "    " and resid 96   and name HD1%)
 ASSI { 1391}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 71   and name HD21))
      4.600     2.600     1.400 peak  1391 spectrum    1 weight  0.10000E+01 volume  0.29526E-02 ppm1      7.780 ppm2      7.467 CV     1
 ASSI { 1394}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 69   and name HA  ))
      3.100     1.200     1.200 peak  1394 spectrum    1 weight  0.10000E+01 volume  0.63006E-02 ppm1      7.777 ppm2      4.187 CV     1
 ASSI { 1395}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 73   and name HB  ))
      6.000     5.900     0.000 peak  1395 spectrum    1 weight  0.10000E+01 volume  0.50386E-03 ppm1      7.779 ppm2      3.951 CV     1
 ASSI { 1396}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 72   and name HB1 ))
      3.200     1.300     1.300 peak  1396 spectrum    1 weight  0.10000E+01 volume  0.13289E-01 ppm1      7.777 ppm2      3.453 CV     1
 ASSI { 1398}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 69   and name HB2 ))
      6.000     4.600     0.000 peak  1398 spectrum    1 weight  0.10000E+01 volume  0.43809E-03 ppm1      7.777 ppm2      1.327 CV     1
 ASSI { 1400}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 64   and name HG  ))
      3.200     3.200     2.800 peak  1400 spectrum    1 weight  0.10000E+01 volume  0.19511E-01 ppm1      7.779 ppm2      0.786 CV     1
 ASSI { 1404}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 31   and name HB2 ))
      6.000     6.000     0.000 peak  1404 spectrum    1 weight  0.10000E+01 volume  0.16375E-03 ppm1      7.336 ppm2      3.625 CV     1
 OR { 1404}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 31   and name HB1 ))
 ASSI { 1405}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 25   and name HB1 ))
      6.000     4.500     0.000 peak  1405 spectrum    1 weight  0.10000E+01 volume  0.52877E-03 ppm1      7.335 ppm2      1.211 CV     1
 ASSI { 1427}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 25   and name HN  ))
      4.700     2.700     1.300 peak  1427 spectrum    1 weight  0.10000E+01 volume  0.18925E-02 ppm1      7.336 ppm2      9.357 CV     1
 ASSI { 1428}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 26   and name HN  ))
      2.700     0.900     0.900 peak  1428 spectrum    1 weight  0.10000E+01 volume  0.17002E-01 ppm1      7.334 ppm2      7.500 CV     1
 ASSI { 1430}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 28   and name HN  ))
      3.000     1.100     1.100 peak  1430 spectrum    1 weight  0.10000E+01 volume  0.23951E-01 ppm1      7.334 ppm2      7.157 CV     1
 ASSI { 1431}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 27   and name HA  ))
      2.800     1.000     1.000 peak  1431 spectrum    1 weight  0.10000E+01 volume  0.17148E-01 ppm1      7.334 ppm2      4.946 CV     1
 ASSI { 1432}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 24   and name HA  ))
      3.200     1.300     1.300 peak  1432 spectrum    1 weight  0.10000E+01 volume  0.74058E-02 ppm1      7.335 ppm2      4.201 CV     1
 ASSI { 1433}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 26   and name HA1 ))
      2.600     0.900     0.900 peak  1433 spectrum    1 weight  0.10000E+01 volume  0.18618E-01 ppm1      7.335 ppm2      3.879 CV     1
 ASSI { 1434}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 27   and name HB2 ))
      3.100     1.200     1.200 peak  1434 spectrum    1 weight  0.10000E+01 volume  0.17837E-01 ppm1      7.335 ppm2      2.930 CV     1
 ASSI { 1435}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 27   and name HB1 ))
      2.600     0.900     0.900 peak  1435 spectrum    1 weight  0.10000E+01 volume  0.25395E-01 ppm1      7.335 ppm2      2.589 CV     1
 ASSI { 1436}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 28   and name HG12))
      3.300     1.400     1.400 peak  1436 spectrum    1 weight  0.10000E+01 volume  0.78241E-02 ppm1      7.334 ppm2      2.097 CV     1
 OR { 1436}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 28   and name HG11))
 ASSI { 1437}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 25   and name HG  ))
      4.400     2.400     1.600 peak  1437 spectrum    1 weight  0.10000E+01 volume  0.33875E-02 ppm1      7.335 ppm2      1.989 CV     1
 ASSI { 1447}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 11   and name HA  ))
      3.100     1.200     1.200 peak  1447 spectrum    1 weight  0.10000E+01 volume  0.60448E-02 ppm1      6.983 ppm2      4.484 CV     1
 ASSI { 1448}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 14   and name HA  ))
      5.500     3.800     0.500 peak  1448 spectrum    1 weight  0.10000E+01 volume  0.11093E-02 ppm1      6.981 ppm2      4.320 CV     1
 ASSI { 1449}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 93   and name HA  ))
      3.000     1.100     1.100 peak  1449 spectrum    1 weight  0.10000E+01 volume  0.74207E-02 ppm1      6.981 ppm2      4.011 CV     1
 ASSI { 1451}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 11   and name HB2 ))
      2.700     0.900     0.900 peak  1451 spectrum    1 weight  0.10000E+01 volume  0.63853E-02 ppm1      6.979 ppm2      0.950 CV     1
 ASSI { 1452}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 13   and name HN  ))
      6.000     5.500     0.000 peak  1452 spectrum    1 weight  0.10000E+01 volume  0.30409E-03 ppm1      6.978 ppm2      8.729 CV     1
 ASSI { 1453}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 17   and name HG1 ))
      6.000     4.500     0.000 peak  1453 spectrum    1 weight  0.10000E+01 volume  0.45172E-03 ppm1      6.977 ppm2      2.642 CV     1
 OR { 1453}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 17   and name HG2 ))
 ASSI { 1456}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 66   and name HA  ))
      4.100     2.100     1.900 peak  1456 spectrum    1 weight  0.10000E+01 volume  0.30032E-02 ppm1      6.880 ppm2      3.359 CV     1
 ASSI { 1467}
   (( segid "    " and resid 89   and name HN  ))
   (( segid "    " and resid 89   and name HA  ))
      4.900     3.000     1.100 peak  1467 spectrum    1 weight  0.10000E+01 volume  0.51147E-03 ppm1      9.362 ppm2      4.449 CV     1
 ASSI { 1470}
   (( segid "    " and resid 89   and name HN  ))
   (( segid "    " and resid 88   and name HA  ))
      3.500     1.500     1.500 peak  1470 spectrum    1 weight  0.10000E+01 volume  0.60260E-02 ppm1      9.354 ppm2      4.073 CV     1
 ASSI { 1471}
   (( segid "    " and resid 89   and name HN  ))
   (( segid "    " and resid 89   and name HB2 ))
      4.400     2.500     1.600 peak  1471 spectrum    1 weight  0.10000E+01 volume  0.82531E-03 ppm1      9.353 ppm2      3.564 CV     1
 OR { 1471}
   (( segid "    " and resid 89   and name HN  ))
   (( segid "    " and resid 89   and name HB1 ))
 ASSI { 1474}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 42   and name HN  ))
      5.400     3.600     0.600 peak  1474 spectrum    1 weight  0.10000E+01 volume  0.38995E-03 ppm1      8.829 ppm2     10.281 CV     1
 ASSI { 1476}
   (( segid "    " and resid 53   and name HN  ))
   (  segid "    " and resid 53   and name HD% )
      3.000     1.100     1.100 peak  1476 spectrum    1 weight  0.10000E+01 volume  0.66131E-02 ppm1      8.834 ppm2      6.527 CV     1
 ASSI { 1479}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 44   and name HD2 ))
      4.200     2.200     1.800 peak  1479 spectrum    1 weight  0.10000E+01 volume  0.40184E-02 ppm1      8.839 ppm2      4.106 CV     1
 ASSI { 1480}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 44   and name HD1 ))
      3.700     1.700     1.700 peak  1480 spectrum    1 weight  0.10000E+01 volume  0.14890E-02 ppm1      8.835 ppm2      3.826 CV     1
 ASSI { 1481}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 53   and name HB2 ))
      3.700     1.800     1.800 peak  1481 spectrum    1 weight  0.10000E+01 volume  0.60853E-02 ppm1      8.836 ppm2      2.892 CV     1
 ASSI { 1482}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 52   and name HB1 ))
      4.500     2.500     1.500 peak  1482 spectrum    1 weight  0.10000E+01 volume  0.39644E-02 ppm1      8.837 ppm2      2.631 CV     1
 ASSI { 1483}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 44   and name HG1 ))
      3.000     1.100     1.100 peak  1483 spectrum    1 weight  0.10000E+01 volume  0.85912E-02 ppm1      8.835 ppm2      2.206 CV     1
 OR { 1483}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 44   and name HG2 ))
 ASSI { 1513}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 67   and name HN  ))
      2.400     0.700     0.700 peak  1513 spectrum    1 weight  0.10000E+01 volume  0.12173E-01 ppm1      6.878 ppm2      8.729 CV     1
 ASSI { 1515}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 72   and name HD2 ))
      6.000     4.500     0.000 peak  1515 spectrum    1 weight  0.10000E+01 volume  0.77598E-03 ppm1      6.880 ppm2      7.241 CV     1
 ASSI { 1518}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 68   and name HA  ))
      2.700     0.900     0.900 peak  1518 spectrum    1 weight  0.10000E+01 volume  0.10538E-01 ppm1      6.879 ppm2      4.345 CV     1
 ASSI { 1519}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 69   and name HA  ))
      4.700     2.800     1.300 peak  1519 spectrum    1 weight  0.10000E+01 volume  0.29300E-02 ppm1      6.879 ppm2      4.211 CV     1
 ASSI { 1521}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 68   and name HG2 ))
      3.900     1.900     1.900 peak  1521 spectrum    1 weight  0.10000E+01 volume  0.96395E-02 ppm1      6.877 ppm2      2.409 CV     1
 OR { 1521}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 68   and name HG1 ))
 ASSI { 1522}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 69   and name HB1 ))
      3.100     3.100     2.900 peak  1522 spectrum    1 weight  0.10000E+01 volume  0.35851E-01 ppm1      6.878 ppm2      2.221 CV     1
 ASSI { 1523}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 67   and name HB2 ))
      3.200     1.300     1.300 peak  1523 spectrum    1 weight  0.10000E+01 volume  0.13840E-01 ppm1      6.878 ppm2      1.852 CV     1
 OR { 1523}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 67   and name HB1 ))
 ASSI { 1525}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 66   and name HB2 ))
      3.700     1.700     1.700 peak  1525 spectrum    1 weight  0.10000E+01 volume  0.90572E-02 ppm1      6.879 ppm2      1.300 CV     1
 ASSI { 1527}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 64   and name HG  ))
      4.400     2.400     1.600 peak  1527 spectrum    1 weight  0.10000E+01 volume  0.43459E-02 ppm1      6.877 ppm2      0.760 CV     1
 ASSI { 1528}
   (( segid "    " and resid 68   and name HN  ))
   (  segid "    " and resid 64   and name HD1%)
      4.000     2.000     2.000 peak  1528 spectrum    1 weight  0.10000E+01 volume  0.49183E-02 ppm1      6.879 ppm2      0.720 CV     1
 OR { 1528}
   (( segid "    " and resid 68   and name HN  ))
   (  segid "    " and resid 64   and name HD2%)
 ASSI { 1530}
   (( segid "    " and resid 68   and name HN  ))
   (  segid "    " and resid 111  and name HD2%)
      6.000     4.700     0.000 peak  1530 spectrum    1 weight  0.10000E+01 volume  0.39788E-03 ppm1      6.881 ppm2      0.363 CV     1
 ASSI { 1531}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 65   and name HA  ))
      5.200     3.400     0.800 peak  1531 spectrum    1 weight  0.10000E+01 volume  0.88381E-03 ppm1      6.873 ppm2      4.604 CV     1
 ASSI { 1534}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 43   and name HA  ))
      5.400     3.600     0.600 peak  1534 spectrum    1 weight  0.10000E+01 volume  0.78404E-03 ppm1      8.832 ppm2      5.109 CV     1
 ASSI { 1535}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 53   and name HA  ))
      3.400     1.400     1.400 peak  1535 spectrum    1 weight  0.10000E+01 volume  0.34747E-02 ppm1      8.835 ppm2      4.364 CV     1
 ASSI { 1539}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 24   and name HN  ))
      3.900     1.900     1.900 peak  1539 spectrum    1 weight  0.10000E+01 volume  0.43988E-02 ppm1      8.513 ppm2      7.914 CV     1
 ASSI { 1542}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 19   and name HA  ))
      3.800     1.800     1.800 peak  1542 spectrum    1 weight  0.10000E+01 volume  0.50208E-02 ppm1      8.513 ppm2      4.582 CV     1
 ASSI { 1543}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 21   and name HA  ))
      3.400     1.400     1.400 peak  1543 spectrum    1 weight  0.10000E+01 volume  0.54350E-02 ppm1      8.513 ppm2      4.137 CV     1
 ASSI { 1544}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 22   and name HA  ))
      2.500     0.800     0.800 peak  1544 spectrum    1 weight  0.10000E+01 volume  0.14028E-01 ppm1      8.512 ppm2      3.966 CV     1
 ASSI { 1545}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 18   and name HA  ))
      4.000     2.000     2.000 peak  1545 spectrum    1 weight  0.10000E+01 volume  0.25855E-02 ppm1      8.512 ppm2      3.424 CV     1
 ASSI { 1546}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 19   and name HB1 ))
      6.000     5.000     0.000 peak  1546 spectrum    1 weight  0.10000E+01 volume  0.39136E-03 ppm1      8.507 ppm2      2.697 CV     1
 ASSI { 1548}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 22   and name HG  ))
      1.800     0.400     0.400 peak  1548 spectrum    1 weight  0.10000E+01 volume  0.29893E-01 ppm1      8.512 ppm2      1.913 CV     1
 ASSI { 1551}
   (( segid "    " and resid 22   and name HN  ))
   (  segid "    " and resid 22   and name HD1%)
      3.300     1.400     1.400 peak  1551 spectrum    1 weight  0.10000E+01 volume  0.14952E-01 ppm1      8.511 ppm2      1.129 CV     1
 ASSI { 1553}
   (( segid "    " and resid 22   and name HN  ))
   (  segid "    " and resid 7    and name HD1%)
      3.800     1.800     1.800 peak  1553 spectrum    1 weight  0.10000E+01 volume  0.37580E-02 ppm1      8.511 ppm2      0.694 CV     1
 ASSI { 1555}
   (( segid "    " and resid 104  and name HN  ))
   (( segid "    " and resid 103  and name HN  ))
      2.500     0.800     0.800 peak  1555 spectrum    1 weight  0.10000E+01 volume  0.16261E-01 ppm1      8.326 ppm2      9.231 CV     1
 ASSI { 1556}
   (( segid "    " and resid 104  and name HN  ))
   (  segid "    " and resid 101  and name HD% )
      4.500     2.500     1.500 peak  1556 spectrum    1 weight  0.10000E+01 volume  0.36149E-02 ppm1      8.327 ppm2      7.022 CV     1
 ASSI { 1557}
   (( segid "    " and resid 104  and name HN  ))
   (( segid "    " and resid 103  and name HA  ))
      2.800     1.000     1.000 peak  1557 spectrum    1 weight  0.10000E+01 volume  0.91928E-02 ppm1      8.325 ppm2      5.173 CV     1
 ASSI { 1560}
   (( segid "    " and resid 104  and name HN  ))
   (( segid "    " and resid 104  and name HA  ))
      2.800     1.000     1.000 peak  1560 spectrum    1 weight  0.10000E+01 volume  0.12987E-01 ppm1      8.327 ppm2      4.261 CV     1
 ASSI { 1561}
   (( segid "    " and resid 104  and name HN  ))
   (( segid "    " and resid 102  and name HA1 ))
      3.300     1.400     1.400 peak  1561 spectrum    1 weight  0.10000E+01 volume  0.11622E-01 ppm1      8.325 ppm2      3.879 CV     1
 ASSI { 1563}
   (( segid "    " and resid 104  and name HN  ))
   (( segid "    " and resid 103  and name HB1 ))
      4.600     2.700     1.400 peak  1563 spectrum    1 weight  0.10000E+01 volume  0.32637E-02 ppm1      8.325 ppm2      2.997 CV     1
 ASSI { 1564}
   (( segid "    " and resid 104  and name HN  ))
   (( segid "    " and resid 104  and name HG1 ))
      3.000     1.200     1.200 peak  1564 spectrum    1 weight  0.10000E+01 volume  0.40354E-01 ppm1      8.326 ppm2      2.549 CV     1
 ASSI { 1565}
   (( segid "    " and resid 104  and name HN  ))
   (( segid "    " and resid 104  and name HB2 ))
      2.500     0.800     0.800 peak  1565 spectrum    1 weight  0.10000E+01 volume  0.21976E-01 ppm1      8.326 ppm2      2.393 CV     1
 ASSI { 1566}
   (( segid "    " and resid 104  and name HN  ))
   (( segid "    " and resid 104  and name HB1 ))
      3.400     1.400     1.400 peak  1566 spectrum    1 weight  0.10000E+01 volume  0.14772E-01 ppm1      8.326 ppm2      2.178 CV     1
 ASSI { 1568}
   (( segid "    " and resid 104  and name HN  ))
   (  segid "    " and resid 113  and name HG2%)
      4.100     2.100     1.900 peak  1568 spectrum    1 weight  0.10000E+01 volume  0.24749E-02 ppm1      8.326 ppm2      1.155 CV     1
 ASSI { 1569}
   (( segid "    " and resid 104  and name HN  ))
   (  segid "    " and resid 105  and name HG2%)
      3.600     1.700     1.700 peak  1569 spectrum    1 weight  0.10000E+01 volume  0.59189E-02 ppm1      8.324 ppm2      1.042 CV     1
 OR { 1569}
   (( segid "    " and resid 104  and name HN  ))
   (  segid "    " and resid 105  and name HG1%)
 ASSI { 1570}
   (( segid "    " and resid 104  and name HN  ))
   (  segid "    " and resid 113  and name HG1%)
      6.000     4.900     0.000 peak  1570 spectrum    1 weight  0.10000E+01 volume  0.16949E-03 ppm1      8.324 ppm2      0.874 CV     1
 ASSI { 1582}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 41   and name HG1 ))
      6.000     4.500     0.000 peak  1582 spectrum    1 weight  0.10000E+01 volume  0.44067E-03 ppm1      8.043 ppm2      1.291 CV     1
 ASSI { 1584}
   (( segid "    " and resid 124  and name HN  ))
   (( segid "    " and resid 125  and name HN  ))
      2.200     0.600     0.600 peak  1584 spectrum    1 weight  0.10000E+01 volume  0.12182E-01 ppm1      6.514 ppm2      7.611 CV     1
 ASSI { 1585}
   (( segid "    " and resid 124  and name HN  ))
   (( segid "    " and resid 123  and name HN  ))
      2.000     0.500     0.500 peak  1585 spectrum    1 weight  0.10000E+01 volume  0.86811E-02 ppm1      6.515 ppm2      6.944 CV     1
 ASSI { 1588}
   (( segid "    " and resid 124  and name HN  ))
   (( segid "    " and resid 122  and name HA1 ))
      4.900     3.000     1.100 peak  1588 spectrum    1 weight  0.10000E+01 volume  0.17824E-02 ppm1      6.516 ppm2      4.132 CV     1
 ASSI { 1589}
   (( segid "    " and resid 124  and name HN  ))
   (( segid "    " and resid 125  and name HA  ))
      4.400     2.400     1.600 peak  1589 spectrum    1 weight  0.10000E+01 volume  0.32930E-02 ppm1      6.511 ppm2      3.822 CV     1
 ASSI { 1591}
   (( segid "    " and resid 124  and name HN  ))
   (( segid "    " and resid 122  and name HA2 ))
      4.300     2.400     1.700 peak  1591 spectrum    1 weight  0.10000E+01 volume  0.23689E-02 ppm1      6.516 ppm2      2.851 CV     1
 ASSI { 1592}
   (( segid "    " and resid 124  and name HN  ))
   (( segid "    " and resid 124  and name HB2 ))
      2.500     0.800     0.800 peak  1592 spectrum    1 weight  0.10000E+01 volume  0.10562E-01 ppm1      6.514 ppm2      2.167 CV     1
 OR { 1592}
   (( segid "    " and resid 124  and name HN  ))
   (( segid "    " and resid 124  and name HB1 ))
 ASSI { 1595}
   (( segid "    " and resid 124  and name HN  ))
   (( segid "    " and resid 121  and name HG1 ))
      4.300     2.300     1.700 peak  1595 spectrum    1 weight  0.10000E+01 volume  0.41313E-02 ppm1      6.514 ppm2      1.338 CV     1
 ASSI { 1596}
   (( segid "    " and resid 124  and name HN  ))
   (( segid "    " and resid 125  and name HB2 ))
      4.500     2.500     1.500 peak  1596 spectrum    1 weight  0.10000E+01 volume  0.24139E-02 ppm1      6.515 ppm2      1.027 CV     1
 ASSI { 1597}
   (( segid "    " and resid 124  and name HN  ))
   (( segid "    " and resid 125  and name HB1 ))
      5.400     3.600     0.600 peak  1597 spectrum    1 weight  0.10000E+01 volume  0.24809E-02 ppm1      6.515 ppm2      0.970 CV     1
 ASSI { 1599}
   (( segid "    " and resid 124  and name HN  ))
   (( segid "    " and resid 121  and name HB2 ))
      3.700     1.700     1.700 peak  1599 spectrum    1 weight  0.10000E+01 volume  0.36305E-02 ppm1      6.514 ppm2      0.863 CV     1
 ASSI { 1600}
   (( segid "    " and resid 124  and name HN  ))
   (( segid "    " and resid 155  and name HG  ))
      4.500     2.600     1.500 peak  1600 spectrum    1 weight  0.10000E+01 volume  0.28835E-02 ppm1      6.518 ppm2      0.803 CV     1
 ASSI { 1601}
   (( segid "    " and resid 124  and name HN  ))
   (  segid "    " and resid 125  and name HD2%)
      4.400     2.400     1.600 peak  1601 spectrum    1 weight  0.10000E+01 volume  0.52807E-02 ppm1      6.515 ppm2      0.470 CV     1
 OR { 1601}
   (( segid "    " and resid 124  and name HN  ))
   (  segid "    " and resid 125  and name HD1%)
 ASSI { 1602}
   (( segid "    " and resid 124  and name HN  ))
   (( segid "    " and resid 121  and name HB1 ))
      3.300     1.400     1.400 peak  1602 spectrum    1 weight  0.10000E+01 volume  0.30990E-02 ppm1      6.513 ppm2     -0.664 CV     1
 ASSI { 1605}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 53   and name HN  ))
      3.700     1.700     1.700 peak  1605 spectrum    1 weight  0.10000E+01 volume  0.21235E-02 ppm1      8.044 ppm2      8.837 CV     1
 ASSI { 1607}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 44   and name HD2 ))
      4.500     2.600     1.500 peak  1607 spectrum    1 weight  0.10000E+01 volume  0.18145E-02 ppm1      8.041 ppm2      4.109 CV     1
 ASSI { 1608}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 51   and name HD2 ))
      4.100     2.200     1.900 peak  1608 spectrum    1 weight  0.10000E+01 volume  0.25198E-02 ppm1      8.041 ppm2      3.845 CV     1
 ASSI { 1609}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 52   and name HB1 ))
      3.500     1.500     1.500 peak  1609 spectrum    1 weight  0.10000E+01 volume  0.47688E-02 ppm1      8.042 ppm2      2.668 CV     1
 ASSI { 1611}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 51   and name HB1 ))
      3.300     1.400     1.400 peak  1611 spectrum    1 weight  0.10000E+01 volume  0.13113E-01 ppm1      8.040 ppm2      2.151 CV     1
 OR { 1611}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 51   and name HG2 ))
 ASSI { 1612}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 51   and name HG1 ))
      4.700     2.800     1.300 peak  1612 spectrum    1 weight  0.10000E+01 volume  0.58783E-02 ppm1      8.040 ppm2      1.864 CV     1
 ASSI { 1613}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 41   and name HG2 ))
      5.500     3.800     0.500 peak  1613 spectrum    1 weight  0.10000E+01 volume  0.72465E-03 ppm1      8.040 ppm2      1.627 CV     1
 ASSI { 1622}
   (( segid "    " and resid 152  and name HN  ))
   (( segid "    " and resid 150  and name HG2 ))
      4.500     2.600     1.500 peak  1622 spectrum    1 weight  0.10000E+01 volume  0.16832E-02 ppm1      7.216 ppm2      1.428 CV     1
 ASSI { 1628}
   (( segid "    " and resid 152  and name HN  ))
   (  segid "    " and resid 152  and name HD% )
      2.800     1.000     1.000 peak  1628 spectrum    1 weight  0.10000E+01 volume  0.14167E-01 ppm1      7.209 ppm2      7.045 CV     1
 ASSI { 1631}
   (( segid "    " and resid 152  and name HN  ))
   (( segid "    " and resid 152  and name HA  ))
      2.600     0.800     0.800 peak  1631 spectrum    1 weight  0.10000E+01 volume  0.16553E-01 ppm1      7.208 ppm2      4.630 CV     1
 ASSI { 1632}
   (( segid "    " and resid 152  and name HN  ))
   (( segid "    " and resid 151  and name HA  ))
      2.300     0.700     0.700 peak  1632 spectrum    1 weight  0.10000E+01 volume  0.34282E-01 ppm1      7.208 ppm2      4.078 CV     1
 ASSI { 1633}
   (( segid "    " and resid 152  and name HN  ))
   (( segid "    " and resid 147  and name HA  ))
      3.700     1.700     1.700 peak  1633 spectrum    1 weight  0.10000E+01 volume  0.24624E-02 ppm1      7.209 ppm2      3.684 CV     1
 ASSI { 1634}
   (( segid "    " and resid 152  and name HN  ))
   (( segid "    " and resid 152  and name HB2 ))
      2.600     0.800     0.800 peak  1634 spectrum    1 weight  0.10000E+01 volume  0.15967E-01 ppm1      7.208 ppm2      3.379 CV     1
 ASSI { 1635}
   (( segid "    " and resid 152  and name HN  ))
   (( segid "    " and resid 152  and name HB1 ))
      3.100     1.200     1.200 peak  1635 spectrum    1 weight  0.10000E+01 volume  0.21763E-01 ppm1      7.208 ppm2      2.672 CV     1
 ASSI { 1636}
   (( segid "    " and resid 152  and name HN  ))
   (  segid "    " and resid 151  and name HB% )
      3.500     1.500     1.500 peak  1636 spectrum    1 weight  0.10000E+01 volume  0.15783E-01 ppm1      7.208 ppm2      1.203 CV     1
 ASSI { 1637}
   (( segid "    " and resid 152  and name HN  ))
   (( segid "    " and resid 147  and name HG  ))
      2.300     2.300     3.700 peak  1637 spectrum    1 weight  0.10000E+01 volume  0.66717E-02 ppm1      7.212 ppm2      0.900 CV     1
 ASSI { 1639}
   (( segid "    " and resid 152  and name HN  ))
   (  segid "    " and resid 147  and name HD1%)
      2.500     2.500     3.500 peak  1639 spectrum    1 weight  0.10000E+01 volume  0.34462E-02 ppm1      7.210 ppm2     -0.546 CV     1
 ASSI { 1664}
   (( segid "    " and resid 126  and name HN  ))
   (( segid "    " and resid 126  and name HE3 ))
      5.200     3.400     0.800 peak  1664 spectrum    1 weight  0.10000E+01 volume  0.23299E-02 ppm1      8.705 ppm2      7.801 CV     1
 ASSI { 1665}
   (( segid "    " and resid 126  and name HN  ))
   (( segid "    " and resid 125  and name HN  ))
      2.800     1.000     1.000 peak  1665 spectrum    1 weight  0.10000E+01 volume  0.64435E-02 ppm1      8.704 ppm2      7.626 CV     1
 ASSI { 1667}
   (( segid "    " and resid 126  and name HN  ))
   (( segid "    " and resid 126  and name HD1 ))
      4.500     2.500     1.500 peak  1667 spectrum    1 weight  0.10000E+01 volume  0.52484E-02 ppm1      8.706 ppm2      6.713 CV     1
 ASSI { 1668}
   (( segid "    " and resid 126  and name HN  ))
   (( segid "    " and resid 124  and name HN  ))
      3.700     1.700     1.700 peak  1668 spectrum    1 weight  0.10000E+01 volume  0.57881E-02 ppm1      8.705 ppm2      6.532 CV     1
 ASSI { 1669}
   (( segid "    " and resid 126  and name HN  ))
   (( segid "    " and resid 126  and name HA  ))
      2.600     0.800     0.800 peak  1669 spectrum    1 weight  0.10000E+01 volume  0.11192E-01 ppm1      8.707 ppm2      4.787 CV     1
 ASSI { 1670}
   (( segid "    " and resid 126  and name HN  ))
   (( segid "    " and resid 123  and name HA  ))
      4.300     2.300     1.700 peak  1670 spectrum    1 weight  0.10000E+01 volume  0.23003E-02 ppm1      8.706 ppm2      4.354 CV     1
 ASSI { 1672}
   (( segid "    " and resid 126  and name HN  ))
   (( segid "    " and resid 125  and name HA  ))
      3.600     1.600     1.600 peak  1672 spectrum    1 weight  0.10000E+01 volume  0.37608E-02 ppm1      8.706 ppm2      3.811 CV     1
 ASSI { 1673}
   (( segid "    " and resid 126  and name HN  ))
   (( segid "    " and resid 127  and name HD1 ))
      2.800     1.000     1.000 peak  1673 spectrum    1 weight  0.10000E+01 volume  0.11009E-01 ppm1      8.704 ppm2      3.393 CV     1
 ASSI { 1674}
   (( segid "    " and resid 126  and name HN  ))
   (( segid "    " and resid 126  and name HB2 ))
      2.200     0.600     0.600 peak  1674 spectrum    1 weight  0.10000E+01 volume  0.35902E-01 ppm1      8.704 ppm2      3.148 CV     1
 ASSI { 1675}
   (( segid "    " and resid 126  and name HN  ))
   (( segid "    " and resid 126  and name HB1 ))
      2.200     0.600     0.600 peak  1675 spectrum    1 weight  0.10000E+01 volume  0.20752E-01 ppm1      8.706 ppm2      2.953 CV     1
 ASSI { 1676}
   (( segid "    " and resid 126  and name HN  ))
   (( segid "    " and resid 127  and name HG2 ))
      4.700     2.700     1.300 peak  1676 spectrum    1 weight  0.10000E+01 volume  0.34773E-02 ppm1      8.706 ppm2      2.067 CV     1
 ASSI { 1677}
   (( segid "    " and resid 126  and name HN  ))
   (( segid "    " and resid 128  and name HB2 ))
      4.100     2.100     1.900 peak  1677 spectrum    1 weight  0.10000E+01 volume  0.37535E-02 ppm1      8.707 ppm2      2.025 CV     1
 ASSI { 1681}
   (( segid "    " and resid 126  and name HN  ))
   (( segid "    " and resid 125  and name HB1 ))
      2.800     1.000     1.000 peak  1681 spectrum    1 weight  0.10000E+01 volume  0.14825E-01 ppm1      8.704 ppm2      0.958 CV     1
 ASSI { 1682}
   (( segid "    " and resid 126  and name HN  ))
   (( segid "    " and resid 155  and name HG  ))
      3.700     3.700     2.300 peak  1682 spectrum    1 weight  0.10000E+01 volume  0.60132E-02 ppm1      8.702 ppm2      0.790 CV     1
 ASSI { 1683}
   (( segid "    " and resid 126  and name HN  ))
   (  segid "    " and resid 125  and name HD1%)
      3.700     1.700     1.700 peak  1683 spectrum    1 weight  0.10000E+01 volume  0.13911E-01 ppm1      8.704 ppm2      0.485 CV     1
 OR { 1683}
   (( segid "    " and resid 126  and name HN  ))
   (  segid "    " and resid 125  and name HD2%)
 ASSI { 1684}
   (( segid "    " and resid 126  and name HN  ))
   (( segid "    " and resid 125  and name HG  ))
      4.100     2.100     1.900 peak  1684 spectrum    1 weight  0.10000E+01 volume  0.50525E-02 ppm1      8.709 ppm2      0.334 CV     1
 ASSI { 1686}
   (( segid "    " and resid 126  and name HN  ))
   (  segid "    " and resid 147  and name HD1%)
      4.100     2.100     1.900 peak  1686 spectrum    1 weight  0.10000E+01 volume  0.32826E-02 ppm1      8.703 ppm2     -0.553 CV     1
 ASSI { 1688}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 50   and name HA  ))
      2.600     0.900     0.900 peak  1688 spectrum    1 weight  0.10000E+01 volume  0.71433E-02 ppm1      7.823 ppm2      4.878 CV     1
 ASSI { 1689}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 49   and name HA  ))
      2.700     0.900     0.900 peak  1689 spectrum    1 weight  0.10000E+01 volume  0.26021E-01 ppm1      7.822 ppm2      4.670 CV     1
 ASSI { 1691}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 44   and name HD1 ))
      4.900     3.000     1.100 peak  1691 spectrum    1 weight  0.10000E+01 volume  0.50346E-02 ppm1      7.821 ppm2      3.840 CV     1
 ASSI { 1692}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 51   and name HD1 ))
      2.800     1.000     1.000 peak  1692 spectrum    1 weight  0.10000E+01 volume  0.28808E-02 ppm1      7.817 ppm2      3.421 CV     1
 ASSI { 1693}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 49   and name HB1 ))
      2.600     0.900     0.900 peak  1693 spectrum    1 weight  0.10000E+01 volume  0.16683E-01 ppm1      7.817 ppm2      2.670 CV     1
 ASSI { 1694}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 50   and name HG2 ))
      2.700     0.900     0.900 peak  1694 spectrum    1 weight  0.10000E+01 volume  0.13020E-01 ppm1      7.819 ppm2      2.358 CV     1
 OR { 1694}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 50   and name HG1 ))
 ASSI { 1695}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 50   and name HB2 ))
      2.700     0.900     0.900 peak  1695 spectrum    1 weight  0.10000E+01 volume  0.35888E-01 ppm1      7.821 ppm2      2.024 CV     1
 OR { 1695}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 50   and name HB1 ))
 ASSI { 1696}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 69   and name HN  ))
      5.500     3.700     0.500 peak  1696 spectrum    1 weight  0.10000E+01 volume  0.33435E-03 ppm1      7.799 ppm2      8.232 CV     1
 ASSI { 1698}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 73   and name HN  ))
      5.300     3.500     0.700 peak  1698 spectrum    1 weight  0.10000E+01 volume  0.65610E-03 ppm1      7.792 ppm2      9.338 CV     1
 ASSI { 1699}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 71   and name HD21))
      3.800     1.800     1.800 peak  1699 spectrum    1 weight  0.10000E+01 volume  0.57992E-02 ppm1      7.793 ppm2      7.457 CV     1
 ASSI { 1702}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 67   and name HA  ))
      3.600     1.600     1.600 peak  1702 spectrum    1 weight  0.10000E+01 volume  0.31185E-02 ppm1      7.796 ppm2      3.656 CV     1
 ASSI { 1703}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 71   and name HB2 ))
      2.500     0.800     0.800 peak  1703 spectrum    1 weight  0.10000E+01 volume  0.14377E-01 ppm1      7.795 ppm2      3.090 CV     1
 ASSI { 1705}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 70   and name HB1 ))
      2.600     0.900     0.900 peak  1705 spectrum    1 weight  0.10000E+01 volume  0.84780E-02 ppm1      7.791 ppm2      1.025 CV     1
 ASSI { 1706}
   (( segid "    " and resid 71   and name HN  ))
   (  segid "    " and resid 70   and name HD1%)
      3.600     1.600     1.600 peak  1706 spectrum    1 weight  0.10000E+01 volume  0.67867E-02 ppm1      7.794 ppm2      0.732 CV     1
 ASSI { 1707}
   (( segid "    " and resid 71   and name HN  ))
   (  segid "    " and resid 70   and name HD2%)
      3.700     1.700     1.700 peak  1707 spectrum    1 weight  0.10000E+01 volume  0.64978E-02 ppm1      7.794 ppm2      0.489 CV     1
 ASSI { 1708}
   (( segid "    " and resid 71   and name HN  ))
   (  segid "    " and resid 111  and name HD1%)
      4.600     4.600     1.400 peak  1708 spectrum    1 weight  0.10000E+01 volume  0.26195E-02 ppm1      7.793 ppm2      0.337 CV     1
 ASSI { 1711}
   (( segid "    " and resid 130  and name HN  ))
   (( segid "    " and resid 132  and name HN  ))
      3.800     1.800     1.800 peak  1711 spectrum    1 weight  0.10000E+01 volume  0.44574E-02 ppm1      7.744 ppm2      8.302 CV     1
 ASSI { 1713}
   (( segid "    " and resid 130  and name HN  ))
   (  segid "    " and resid 129  and name HD% )
      3.800     1.800     1.800 peak  1713 spectrum    1 weight  0.10000E+01 volume  0.68085E-02 ppm1      7.744 ppm2      7.187 CV     1
 ASSI { 1714}
   (( segid "    " and resid 130  and name HN  ))
   (( segid "    " and resid 131  and name HN  ))
      2.600     0.800     0.800 peak  1714 spectrum    1 weight  0.10000E+01 volume  0.10556E-01 ppm1      7.745 ppm2      6.931 CV     1
 ASSI { 1715}
   (( segid "    " and resid 130  and name HN  ))
   (( segid "    " and resid 128  and name HN  ))
      3.700     1.700     1.700 peak  1715 spectrum    1 weight  0.10000E+01 volume  0.41991E-02 ppm1      7.743 ppm2      6.566 CV     1
 ASSI { 1718}
   (( segid "    " and resid 130  and name HN  ))
   (( segid "    " and resid 37   and name HB1 ))
      5.700     4.000     0.300 peak  1718 spectrum    1 weight  0.10000E+01 volume  0.61114E-03 ppm1      7.746 ppm2      4.077 CV     1
 ASSI { 1720}
   (( segid "    " and resid 130  and name HN  ))
   (( segid "    " and resid 129  and name HB2 ))
      3.900     1.900     1.900 peak  1720 spectrum    1 weight  0.10000E+01 volume  0.61051E-02 ppm1      7.744 ppm2      3.168 CV     1
 ASSI { 1721}
   (( segid "    " and resid 130  and name HN  ))
   (( segid "    " and resid 129  and name HB1 ))
      3.000     1.100     1.100 peak  1721 spectrum    1 weight  0.10000E+01 volume  0.73553E-02 ppm1      7.745 ppm2      2.883 CV     1
 ASSI { 1722}
   (( segid "    " and resid 130  and name HN  ))
   (( segid "    " and resid 130  and name HB1 ))
      2.700     0.900     0.900 peak  1722 spectrum    1 weight  0.10000E+01 volume  0.22830E-01 ppm1      7.745 ppm2      2.630 CV     1
 ASSI { 1726}
   (( segid "    " and resid 130  and name HN  ))
   (( segid "    " and resid 131  and name HG12))
      4.500     2.600     1.500 peak  1726 spectrum    1 weight  0.10000E+01 volume  0.29350E-02 ppm1      7.743 ppm2      1.649 CV     1
 OR { 1726}
   (( segid "    " and resid 130  and name HN  ))
   (( segid "    " and resid 131  and name HG11))
 ASSI { 1727}
   (( segid "    " and resid 130  and name HN  ))
   (( segid "    " and resid 133  and name HB1 ))
      4.400     2.400     1.600 peak  1727 spectrum    1 weight  0.10000E+01 volume  0.29742E-02 ppm1      7.744 ppm2      1.517 CV     1
 ASSI { 1729}
   (( segid "    " and resid 130  and name HN  ))
   (  segid "    " and resid 57   and name HB% )
      4.700     2.700     1.300 peak  1729 spectrum    1 weight  0.10000E+01 volume  0.24820E-02 ppm1      7.743 ppm2      1.364 CV     1
 ASSI { 1731}
   (( segid "    " and resid 130  and name HN  ))
   (( segid "    " and resid 143  and name HG  ))
      3.900     3.900     2.100 peak  1731 spectrum    1 weight  0.10000E+01 volume  0.53124E-02 ppm1      7.745 ppm2      0.954 CV     1
 ASSI { 1732}
   (( segid "    " and resid 130  and name HN  ))
   (  segid "    " and resid 131  and name HG2%)
      3.900     1.900     1.900 peak  1732 spectrum    1 weight  0.10000E+01 volume  0.96293E-02 ppm1      7.746 ppm2      0.852 CV     1
 ASSI { 1734}
   (( segid "    " and resid 130  and name HN  ))
   (( segid "    " and resid 128  and name HG  ))
      6.000     4.900     0.000 peak  1734 spectrum    1 weight  0.10000E+01 volume  0.39774E-03 ppm1      7.743 ppm2      0.308 CV     1
 ASSI { 1740}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 13   and name HB2 ))
      3.200     1.300     1.300 peak  1740 spectrum    1 weight  0.10000E+01 volume  0.73823E-02 ppm1      7.267 ppm2      4.401 CV     1
 ASSI { 1741}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 15   and name HA  ))
      3.800     1.800     1.800 peak  1741 spectrum    1 weight  0.10000E+01 volume  0.36011E-02 ppm1      7.268 ppm2      3.420 CV     1
 ASSI { 1743}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 17   and name HG2 ))
      4.200     2.300     1.800 peak  1743 spectrum    1 weight  0.10000E+01 volume  0.45719E-02 ppm1      7.266 ppm2      2.645 CV     1
 OR { 1743}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 17   and name HG1 ))
 ASSI { 1745}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 15   and name HG  ))
      3.500     1.500     1.500 peak  1745 spectrum    1 weight  0.10000E+01 volume  0.53829E-02 ppm1      7.266 ppm2      1.501 CV     1
 ASSI { 1747}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 16   and name HA  ))
      2.500     0.800     0.800 peak  1747 spectrum    1 weight  0.10000E+01 volume  0.18431E-01 ppm1      7.264 ppm2      4.103 CV     1
 ASSI { 1749}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 16   and name HB1 ))
      2.700     0.900     0.900 peak  1749 spectrum    1 weight  0.10000E+01 volume  0.48497E-01 ppm1      7.264 ppm2      2.319 CV     1
 ASSI { 1751}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 15   and name HB2 ))
      3.800     1.800     1.800 peak  1751 spectrum    1 weight  0.10000E+01 volume  0.10651E-01 ppm1      7.263 ppm2      1.716 CV     1
 ASSI { 1752}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 15   and name HB1 ))
      2.600     0.800     0.800 peak  1752 spectrum    1 weight  0.10000E+01 volume  0.76147E-02 ppm1      7.264 ppm2      1.258 CV     1
 ASSI { 1753}
   (( segid "    " and resid 16   and name HN  ))
   (  segid "    " and resid 15   and name HD2%)
      4.300     2.300     1.700 peak  1753 spectrum    1 weight  0.10000E+01 volume  0.77457E-02 ppm1      7.264 ppm2      1.011 CV     1
 OR { 1753}
   (( segid "    " and resid 16   and name HN  ))
   (  segid "    " and resid 15   and name HD1%)
 ASSI { 1758}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 59   and name HN  ))
      4.200     2.200     1.800 peak  1758 spectrum    1 weight  0.10000E+01 volume  0.34002E-02 ppm1      9.078 ppm2      8.536 CV     1
 ASSI { 1759}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 57   and name HA  ))
      2.300     0.700     0.700 peak  1759 spectrum    1 weight  0.10000E+01 volume  0.21985E-01 ppm1      9.078 ppm2      5.665 CV     1
 ASSI { 1762}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 58   and name HB  ))
      3.200     1.300     1.300 peak  1762 spectrum    1 weight  0.10000E+01 volume  0.89364E-02 ppm1      9.078 ppm2      1.982 CV     1
 ASSI { 1763}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 5    and name HB  ))
      3.400     1.400     1.400 peak  1763 spectrum    1 weight  0.10000E+01 volume  0.56282E-02 ppm1      9.076 ppm2      1.773 CV     1
 ASSI { 1764}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 5    and name HG11))
      3.400     1.400     1.400 peak  1764 spectrum    1 weight  0.10000E+01 volume  0.67304E-02 ppm1      9.081 ppm2      1.576 CV     1
 ASSI { 1765}
   (( segid "    " and resid 58   and name HN  ))
   (  segid "    " and resid 57   and name HB% )
      2.900     1.000     1.000 peak  1765 spectrum    1 weight  0.10000E+01 volume  0.15513E-01 ppm1      9.078 ppm2      1.361 CV     1
 ASSI { 1766}
   (( segid "    " and resid 58   and name HN  ))
   (  segid "    " and resid 58   and name HG1%)
      2.600     0.900     0.900 peak  1766 spectrum    1 weight  0.10000E+01 volume  0.22956E-01 ppm1      9.078 ppm2      0.993 CV     1
 OR { 1766}
   (( segid "    " and resid 58   and name HN  ))
   (  segid "    " and resid 58   and name HG2%)
 ASSI { 1767}
   (( segid "    " and resid 58   and name HN  ))
   (  segid "    " and resid 131  and name HG2%)
      3.100     1.200     1.200 peak  1767 spectrum    1 weight  0.10000E+01 volume  0.14234E-01 ppm1      9.078 ppm2      0.852 CV     1
 ASSI { 1768}
   (( segid "    " and resid 58   and name HN  ))
   (  segid "    " and resid 7    and name HD1%)
      3.900     1.900     1.900 peak  1768 spectrum    1 weight  0.10000E+01 volume  0.34645E-02 ppm1      9.080 ppm2      0.695 CV     1
 ASSI { 1772}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 71   and name HD22))
      4.600     2.600     1.400 peak  1772 spectrum    1 weight  0.10000E+01 volume  0.51924E-02 ppm1      7.792 ppm2      7.217 CV     1
 ASSI { 1773}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 68   and name HN  ))
      3.900     1.900     1.900 peak  1773 spectrum    1 weight  0.10000E+01 volume  0.29665E-02 ppm1      7.793 ppm2      6.890 CV     1
 ASSI { 1780}
   (( segid "    " and resid 147  and name HN  ))
   (( segid "    " and resid 144  and name HA  ))
      3.600     1.600     1.600 peak  1780 spectrum    1 weight  0.10000E+01 volume  0.24375E-02 ppm1      7.464 ppm2      3.529 CV     1
 ASSI { 1783}
   (( segid "    " and resid 147  and name HN  ))
   (( segid "    " and resid 147  and name HB1 ))
      3.200     1.300     1.300 peak  1783 spectrum    1 weight  0.10000E+01 volume  0.13234E-01 ppm1      7.463 ppm2      1.089 CV     1
 ASSI { 1784}
   (( segid "    " and resid 147  and name HN  ))
   (( segid "    " and resid 147  and name HG  ))
      2.400     0.700     0.700 peak  1784 spectrum    1 weight  0.10000E+01 volume  0.15916E-01 ppm1      7.462 ppm2      0.905 CV     1
 ASSI { 1787}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 79   and name HN  ))
      5.500     3.800     0.500 peak  1787 spectrum    1 weight  0.10000E+01 volume  0.41792E-03 ppm1      8.013 ppm2      8.780 CV     1
 ASSI { 1790}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 73   and name HB  ))
      5.800     4.200     0.200 peak  1790 spectrum    1 weight  0.10000E+01 volume  0.41613E-03 ppm1      8.014 ppm2      3.969 CV     1
 ASSI { 1796}
   (( segid "    " and resid 77   and name HN  ))
   (  segid "    " and resid 96   and name HD2%)
      3.300     1.400     1.400 peak  1796 spectrum    1 weight  0.10000E+01 volume  0.58899E-02 ppm1      8.012 ppm2      1.133 CV     1
 OR { 1796}
   (( segid "    " and resid 77   and name HN  ))
   (  segid "    " and resid 96   and name HD1%)
 ASSI { 1797}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 78   and name HG  ))
      4.300     2.300     1.700 peak  1797 spectrum    1 weight  0.10000E+01 volume  0.35526E-02 ppm1      8.012 ppm2      0.973 CV     1
 ASSI { 1807}
   (( segid "    " and resid 147  and name HN  ))
   (( segid "    " and resid 149  and name HN  ))
      5.800     4.200     0.200 peak  1807 spectrum    1 weight  0.10000E+01 volume  0.45601E-03 ppm1      7.461 ppm2      8.362 CV     1
 ASSI { 1809}
   (( segid "    " and resid 147  and name HN  ))
   (( segid "    " and resid 145  and name HA  ))
      5.700     4.000     0.300 peak  1809 spectrum    1 weight  0.10000E+01 volume  0.34155E-03 ppm1      7.466 ppm2      4.253 CV     1
 ASSI { 1810}
   (( segid "    " and resid 147  and name HN  ))
   (( segid "    " and resid 148  and name HB2 ))
      4.300     2.300     1.700 peak  1810 spectrum    1 weight  0.10000E+01 volume  0.37959E-02 ppm1      7.466 ppm2      3.248 CV     1
 ASSI { 1812}
   (( segid "    " and resid 147  and name HN  ))
   (( segid "    " and resid 146  and name HB  ))
      2.500     0.800     0.800 peak  1812 spectrum    1 weight  0.10000E+01 volume  0.10474E-01 ppm1      7.464 ppm2      1.781 CV     1
 ASSI { 1813}
   (( segid "    " and resid 147  and name HN  ))
   (( segid "    " and resid 146  and name HG11))
      3.700     1.700     1.700 peak  1813 spectrum    1 weight  0.10000E+01 volume  0.56503E-02 ppm1      7.466 ppm2      1.592 CV     1
 ASSI { 1814}
   (( segid "    " and resid 147  and name HN  ))
   (( segid "    " and resid 150  and name HG2 ))
      6.000     5.200     0.000 peak  1814 spectrum    1 weight  0.10000E+01 volume  0.16220E-03 ppm1      7.465 ppm2      1.460 CV     1
 ASSI { 1815}
   (( segid "    " and resid 147  and name HN  ))
   (  segid "    " and resid 125  and name HD1%)
      3.700     1.700     1.700 peak  1815 spectrum    1 weight  0.10000E+01 volume  0.42576E-02 ppm1      7.463 ppm2      0.470 CV     1
 OR { 1815}
   (( segid "    " and resid 147  and name HN  ))
   (  segid "    " and resid 125  and name HD2%)
 ASSI { 1816}
   (( segid "    " and resid 147  and name HN  ))
   (( segid "    " and resid 148  and name HA  ))
      6.000     5.400     0.000 peak  1816 spectrum    1 weight  0.10000E+01 volume  0.42712E-03 ppm1      7.459 ppm2      4.467 CV     1
 ASSI { 1819}
   (( segid "    " and resid 145  and name HN  ))
   (( segid "    " and resid 144  and name HN  ))
      2.900     1.000     1.000 peak  1819 spectrum    1 weight  0.10000E+01 volume  0.53500E-02 ppm1      6.774 ppm2      9.586 CV     1
 ASSI { 1822}
   (( segid "    " and resid 145  and name HN  ))
   (( segid "    " and resid 147  and name HN  ))
      3.600     1.600     1.600 peak  1822 spectrum    1 weight  0.10000E+01 volume  0.41809E-02 ppm1      6.772 ppm2      7.475 CV     1
 ASSI { 1823}
   (( segid "    " and resid 145  and name HN  ))
   (( segid "    " and resid 142  and name HA  ))
      3.900     1.900     1.900 peak  1823 spectrum    1 weight  0.10000E+01 volume  0.49625E-02 ppm1      6.777 ppm2      4.802 CV     1
 ASSI { 1824}
   (( segid "    " and resid 145  and name HN  ))
   (( segid "    " and resid 145  and name HA  ))
      2.700     0.900     0.900 peak  1824 spectrum    1 weight  0.10000E+01 volume  0.96185E-02 ppm1      6.772 ppm2      4.252 CV     1
 ASSI { 1825}
   (( segid "    " and resid 145  and name HN  ))
   (( segid "    " and resid 143  and name HA  ))
      4.600     2.600     1.400 peak  1825 spectrum    1 weight  0.10000E+01 volume  0.11652E-02 ppm1      6.776 ppm2      4.083 CV     1
 ASSI { 1826}
   (( segid "    " and resid 145  and name HN  ))
   (( segid "    " and resid 146  and name HA  ))
      4.900     3.000     1.100 peak  1826 spectrum    1 weight  0.10000E+01 volume  0.28796E-02 ppm1      6.774 ppm2      3.666 CV     1
 ASSI { 1827}
   (( segid "    " and resid 145  and name HN  ))
   (( segid "    " and resid 144  and name HA  ))
      3.400     1.500     1.500 peak  1827 spectrum    1 weight  0.10000E+01 volume  0.48923E-02 ppm1      6.775 ppm2      3.519 CV     1
 ASSI { 1828}
   (( segid "    " and resid 145  and name HN  ))
   (( segid "    " and resid 144  and name HD2 ))
      4.000     2.000     2.000 peak  1828 spectrum    1 weight  0.10000E+01 volume  0.12644E-02 ppm1      6.777 ppm2      3.379 CV     1
 ASSI { 1829}
   (( segid "    " and resid 145  and name HN  ))
   (( segid "    " and resid 145  and name HG2 ))
      3.900     1.900     1.900 peak  1829 spectrum    1 weight  0.10000E+01 volume  0.11762E-01 ppm1      6.773 ppm2      2.478 CV     1
 OR { 1829}
   (( segid "    " and resid 145  and name HN  ))
   (( segid "    " and resid 145  and name HG1 ))
 ASSI { 1830}
   (( segid "    " and resid 145  and name HN  ))
   (( segid "    " and resid 142  and name HB2 ))
      1.800     0.400     0.400 peak  1830 spectrum    1 weight  0.10000E+01 volume  0.43186E-01 ppm1      6.773 ppm2      2.275 CV     1
 ASSI { 1831}
   (( segid "    " and resid 145  and name HN  ))
   (( segid "    " and resid 142  and name HB1 ))
      3.200     1.300     1.300 peak  1831 spectrum    1 weight  0.10000E+01 volume  0.15862E-01 ppm1      6.773 ppm2      2.093 CV     1
 ASSI { 1835}
   (( segid "    " and resid 145  and name HN  ))
   (( segid "    " and resid 146  and name HG12))
      4.400     2.500     1.600 peak  1835 spectrum    1 weight  0.10000E+01 volume  0.65987E-02 ppm1      6.773 ppm2      0.975 CV     1
 ASSI { 1838}
   (( segid "    " and resid 145  and name HN  ))
   (( segid "    " and resid 142  and name HN  ))
      4.400     2.400     1.600 peak  1838 spectrum    1 weight  0.10000E+01 volume  0.20452E-02 ppm1      6.769 ppm2      9.266 CV     1
 ASSI { 1840}
   (( segid "    " and resid 144  and name HN  ))
   (( segid "    " and resid 136  and name HA  ))
      3.500     3.500     2.500 peak  1840 spectrum    1 weight  0.10000E+01 volume  0.48499E-03 ppm1      9.592 ppm2      4.527 CV     1
 ASSI { 1848}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 82   and name HN  ))
      4.700     2.800     1.300 peak  1848 spectrum    1 weight  0.10000E+01 volume  0.36164E-02 ppm1      7.644 ppm2      8.217 CV     1
 ASSI { 1850}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 79   and name HN  ))
      2.700     0.900     0.900 peak  1850 spectrum    1 weight  0.10000E+01 volume  0.10196E-01 ppm1      7.639 ppm2      8.778 CV     1
 ASSI { 1851}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 81   and name HN  ))
      2.500     0.800     0.800 peak  1851 spectrum    1 weight  0.10000E+01 volume  0.16041E-01 ppm1      7.641 ppm2      7.931 CV     1
 ASSI { 1852}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 80   and name HE21))
      5.100     5.100     0.900 peak  1852 spectrum    1 weight  0.10000E+01 volume  0.25653E-02 ppm1      7.641 ppm2      7.469 CV     1
 ASSI { 1853}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 80   and name HA  ))
      3.100     1.200     1.200 peak  1853 spectrum    1 weight  0.10000E+01 volume  0.85657E-02 ppm1      7.642 ppm2      4.532 CV     1
 ASSI { 1855}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 77   and name HA  ))
      3.000     1.100     1.100 peak  1855 spectrum    1 weight  0.10000E+01 volume  0.68561E-02 ppm1      7.641 ppm2      3.783 CV     1
 ASSI { 1856}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 76   and name HA  ))
      3.600     1.700     1.700 peak  1856 spectrum    1 weight  0.10000E+01 volume  0.35105E-02 ppm1      7.640 ppm2      3.594 CV     1
 ASSI { 1857}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 80   and name HB1 ))
      3.400     1.400     1.400 peak  1857 spectrum    1 weight  0.10000E+01 volume  0.67449E-02 ppm1      7.642 ppm2      2.874 CV     1
 ASSI { 1858}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 80   and name HG1 ))
      3.600     1.600     1.600 peak  1858 spectrum    1 weight  0.10000E+01 volume  0.15467E-01 ppm1      7.642 ppm2      2.511 CV     1
 ASSI { 1860}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 80   and name HB2 ))
      2.500     0.800     0.800 peak  1860 spectrum    1 weight  0.10000E+01 volume  0.16371E-01 ppm1      7.641 ppm2      1.779 CV     1
 ASSI { 1865}
   (( segid "    " and resid 144  and name HN  ))
   (( segid "    " and resid 142  and name HN  ))
      6.000     6.000     0.000 peak  1865 spectrum    1 weight  0.10000E+01 volume  0.13357E-03 ppm1      9.587 ppm2      9.280 CV     1
 ASSI { 1866}
   (( segid "    " and resid 144  and name HN  ))
   (( segid "    " and resid 143  and name HN  ))
      3.100     1.200     1.200 peak  1866 spectrum    1 weight  0.10000E+01 volume  0.39545E-02 ppm1      9.587 ppm2      8.442 CV     1
 ASSI { 1867}
   (( segid "    " and resid 144  and name HN  ))
   (( segid "    " and resid 147  and name HN  ))
      3.800     1.800     1.800 peak  1867 spectrum    1 weight  0.10000E+01 volume  0.36792E-02 ppm1      9.588 ppm2      7.468 CV     1
 ASSI { 1868}
   (( segid "    " and resid 144  and name HN  ))
   (  segid "    " and resid 129  and name HD% )
      4.400     2.400     1.600 peak  1868 spectrum    1 weight  0.10000E+01 volume  0.27533E-02 ppm1      9.591 ppm2      7.191 CV     1
 ASSI { 1870}
   (( segid "    " and resid 144  and name HN  ))
   (( segid "    " and resid 142  and name HA  ))
      2.800     2.800     3.200 peak  1870 spectrum    1 weight  0.10000E+01 volume  0.23568E-01 ppm1      9.589 ppm2      4.805 CV     1
 ASSI { 1871}
   (( segid "    " and resid 144  and name HN  ))
   (( segid "    " and resid 143  and name HA  ))
      3.800     1.800     1.800 peak  1871 spectrum    1 weight  0.10000E+01 volume  0.23703E-02 ppm1      9.589 ppm2      4.099 CV     1
 ASSI { 1872}
   (( segid "    " and resid 144  and name HN  ))
   (( segid "    " and resid 144  and name HA  ))
      3.100     1.200     1.200 peak  1872 spectrum    1 weight  0.10000E+01 volume  0.65269E-02 ppm1      9.590 ppm2      3.528 CV     1
 ASSI { 1874}
   (( segid "    " and resid 144  and name HN  ))
   (( segid "    " and resid 142  and name HB1 ))
      2.600     0.900     0.900 peak  1874 spectrum    1 weight  0.10000E+01 volume  0.11724E-01 ppm1      9.588 ppm2      2.109 CV     1
 ASSI { 1875}
   (( segid "    " and resid 144  and name HN  ))
   (( segid "    " and resid 144  and name HB2 ))
      2.900     1.100     1.100 peak  1875 spectrum    1 weight  0.10000E+01 volume  0.77201E-02 ppm1      9.589 ppm2      1.804 CV     1
 ASSI { 1877}
   (( segid "    " and resid 144  and name HN  ))
   (( segid "    " and resid 143  and name HB2 ))
      3.800     1.800     1.800 peak  1877 spectrum    1 weight  0.10000E+01 volume  0.52273E-02 ppm1      9.587 ppm2      1.347 CV     1
 ASSI { 1881}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 60   and name HB1 ))
      4.800     2.900     1.200 peak  1881 spectrum    1 weight  0.10000E+01 volume  0.40499E-02 ppm1      9.017 ppm2      1.068 CV     1
 ASSI { 1885}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 16   and name HN  ))
      2.700     0.900     0.900 peak  1885 spectrum    1 weight  0.10000E+01 volume  0.14363E-01 ppm1      8.172 ppm2      7.260 CV     1
 ASSI { 1888}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 14   and name HD2 ))
      3.200     1.300     1.300 peak  1888 spectrum    1 weight  0.10000E+01 volume  0.46825E-02 ppm1      8.174 ppm2      3.713 CV     1
 ASSI { 1889}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 14   and name HD1 ))
      4.400     2.400     1.600 peak  1889 spectrum    1 weight  0.10000E+01 volume  0.32564E-02 ppm1      8.169 ppm2      3.627 CV     1
 ASSI { 1890}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 15   and name HA  ))
      2.900     1.000     1.000 peak  1890 spectrum    1 weight  0.10000E+01 volume  0.92077E-02 ppm1      8.173 ppm2      3.410 CV     1
 ASSI { 1891}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 16   and name HB1 ))
      4.700     4.700     1.300 peak  1891 spectrum    1 weight  0.10000E+01 volume  0.58778E-02 ppm1      8.173 ppm2      2.314 CV     1
 ASSI { 1892}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 15   and name HB2 ))
      2.400     0.700     0.700 peak  1892 spectrum    1 weight  0.10000E+01 volume  0.17714E-01 ppm1      8.173 ppm2      1.714 CV     1
 ASSI { 1893}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 15   and name HG  ))
      4.000     2.000     2.000 peak  1893 spectrum    1 weight  0.10000E+01 volume  0.89667E-02 ppm1      8.173 ppm2      1.498 CV     1
 ASSI { 1894}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 15   and name HB1 ))
      2.500     0.800     0.800 peak  1894 spectrum    1 weight  0.10000E+01 volume  0.16632E-01 ppm1      8.173 ppm2      1.256 CV     1
 ASSI { 1895}
   (( segid "    " and resid 15   and name HN  ))
   (  segid "    " and resid 15   and name HD1%)
      3.800     1.900     1.900 peak  1895 spectrum    1 weight  0.10000E+01 volume  0.18195E-01 ppm1      8.173 ppm2      1.016 CV     1
 OR { 1895}
   (( segid "    " and resid 15   and name HN  ))
   (  segid "    " and resid 15   and name HD2%)
 ASSI { 1902}
   (( segid "    " and resid 120  and name HD21))
   (( segid "    " and resid 120  and name HB2 ))
      2.700     0.900     0.900 peak  1902 spectrum    1 weight  0.10000E+01 volume  0.97832E-02 ppm1      8.103 ppm2      2.992 CV     1
 ASSI { 1903}
   (( segid "    " and resid 120  and name HD21))
   (( segid "    " and resid 120  and name HB1 ))
      3.200     1.200     1.200 peak  1903 spectrum    1 weight  0.10000E+01 volume  0.10335E-01 ppm1      8.101 ppm2      2.505 CV     1
 ASSI { 1904}
   (( segid "    " and resid 120  and name HD21))
   (( segid "    " and resid 117  and name HA  ))
      3.700     1.700     1.700 peak  1904 spectrum    1 weight  0.10000E+01 volume  0.67811E-02 ppm1      8.097 ppm2      5.064 CV     1
 ASSI { 1909}
   (( segid "    " and resid 120  and name HD22))
   (( segid "    " and resid 120  and name HD21))
      2.000     0.500     0.500 peak  1909 spectrum    1 weight  0.10000E+01 volume  0.25046E-01 ppm1      6.904 ppm2      8.097 CV     1
 ASSI { 1910}
   (( segid "    " and resid 120  and name HD22))
   (( segid "    " and resid 117  and name HA  ))
      3.400     1.500     1.500 peak  1910 spectrum    1 weight  0.10000E+01 volume  0.33913E-02 ppm1      6.907 ppm2      5.071 CV     1
 ASSI { 1911}
   (( segid "    " and resid 120  and name HD22))
   (( segid "    " and resid 120  and name HB2 ))
      4.300     2.300     1.700 peak  1911 spectrum    1 weight  0.10000E+01 volume  0.47324E-02 ppm1      6.903 ppm2      2.998 CV     1
 ASSI { 1912}
   (( segid "    " and resid 120  and name HD22))
   (( segid "    " and resid 120  and name HB1 ))
      4.300     2.300     1.700 peak  1912 spectrum    1 weight  0.10000E+01 volume  0.59226E-02 ppm1      6.903 ppm2      2.512 CV     1
 ASSI { 1913}
   (( segid "    " and resid 120  and name HD22))
   (( segid "    " and resid 120  and name HN  ))
      5.200     3.400     0.800 peak  1913 spectrum    1 weight  0.10000E+01 volume  0.62450E-03 ppm1      6.895 ppm2      7.418 CV     1
 ASSI { 1916}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 61   and name HN  ))
      2.900     1.100     1.100 peak  1916 spectrum    1 weight  0.10000E+01 volume  0.10277E-01 ppm1      9.015 ppm2      8.795 CV     1
 ASSI { 1918}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 63   and name HN  ))
      5.300     3.500     0.700 peak  1918 spectrum    1 weight  0.10000E+01 volume  0.21732E-02 ppm1      9.014 ppm2      8.244 CV     1
 ASSI { 1919}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 31   and name HN  ))
      4.200     2.200     1.800 peak  1919 spectrum    1 weight  0.10000E+01 volume  0.44839E-02 ppm1      9.013 ppm2      7.264 CV     1
 ASSI { 1921}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 31   and name HA  ))
      2.200     0.600     0.600 peak  1921 spectrum    1 weight  0.10000E+01 volume  0.24143E-01 ppm1      9.014 ppm2      5.940 CV     1
 ASSI { 1922}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 62   and name HA  ))
      3.400     1.400     1.400 peak  1922 spectrum    1 weight  0.10000E+01 volume  0.66890E-02 ppm1      9.018 ppm2      5.512 CV     1
 ASSI { 1923}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 32   and name HA  ))
      2.700     0.900     0.900 peak  1923 spectrum    1 weight  0.10000E+01 volume  0.11784E-01 ppm1      9.016 ppm2      4.922 CV     1
 ASSI { 1924}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 60   and name HA  ))
      3.800     1.800     1.800 peak  1924 spectrum    1 weight  0.10000E+01 volume  0.72534E-02 ppm1      9.018 ppm2      4.770 CV     1
 ASSI { 1926}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 62   and name HB  ))
      3.000     1.100     1.100 peak  1926 spectrum    1 weight  0.10000E+01 volume  0.61200E-02 ppm1      9.015 ppm2      3.851 CV     1
 ASSI { 1927}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 31   and name HB1 ))
      2.600     0.800     0.800 peak  1927 spectrum    1 weight  0.10000E+01 volume  0.17418E-01 ppm1      9.014 ppm2      3.598 CV     1
 OR { 1927}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 31   and name HB2 ))
 ASSI { 1928}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 32   and name HB2 ))
      3.000     1.100     1.100 peak  1928 spectrum    1 weight  0.10000E+01 volume  0.66040E-02 ppm1      9.014 ppm2      3.351 CV     1
 ASSI { 1929}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 32   and name HB1 ))
      3.500     1.600     1.600 peak  1929 spectrum    1 weight  0.10000E+01 volume  0.57123E-02 ppm1      9.015 ppm2      3.166 CV     1
 ASSI { 1931}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 61   and name HG2 ))
      4.200     2.200     1.800 peak  1931 spectrum    1 weight  0.10000E+01 volume  0.25477E-02 ppm1      9.015 ppm2      1.959 CV     1
 ASSI { 1934}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 28   and name HB  ))
      4.300     2.300     1.700 peak  1934 spectrum    1 weight  0.10000E+01 volume  0.52779E-02 ppm1      9.014 ppm2      1.562 CV     1
 ASSI { 1935}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 60   and name HG  ))
      2.900     1.000     1.000 peak  1935 spectrum    1 weight  0.10000E+01 volume  0.11533E-01 ppm1      9.016 ppm2      1.313 CV     1
 ASSI { 1936}
   (( segid "    " and resid 32   and name HN  ))
   (  segid "    " and resid 60   and name HD2%)
      3.600     1.600     1.600 peak  1936 spectrum    1 weight  0.10000E+01 volume  0.17846E-01 ppm1      9.014 ppm2      0.697 CV     1
 ASSI { 1937}
   (( segid "    " and resid 119  and name HN  ))
   (( segid "    " and resid 120  and name HN  ))
      2.600     0.900     0.900 peak  1937 spectrum    1 weight  0.10000E+01 volume  0.10152E-01 ppm1      8.120 ppm2      7.417 CV     1
 ASSI { 1939}
   (( segid "    " and resid 119  and name HN  ))
   (( segid "    " and resid 119  and name HA  ))
      2.600     0.800     0.800 peak  1939 spectrum    1 weight  0.10000E+01 volume  0.10118E-01 ppm1      8.120 ppm2      3.803 CV     1
 ASSI { 1940}
   (( segid "    " and resid 119  and name HN  ))
   (( segid "    " and resid 118  and name HG1 ))
      3.000     1.100     1.100 peak  1940 spectrum    1 weight  0.10000E+01 volume  0.41873E-02 ppm1      8.122 ppm2      3.314 CV     1
 OR { 1940}
   (( segid "    " and resid 119  and name HN  ))
   (( segid "    " and resid 118  and name HG2 ))
 ASSI { 1941}
   (( segid "    " and resid 119  and name HN  ))
   (( segid "    " and resid 119  and name HE1 ))
      5.400     3.600     0.600 peak  1941 spectrum    1 weight  0.10000E+01 volume  0.21167E-02 ppm1      8.118 ppm2      2.305 CV     1
 ASSI { 1942}
   (( segid "    " and resid 119  and name HN  ))
   (( segid "    " and resid 124  and name HB2 ))
      3.800     1.800     1.800 peak  1942 spectrum    1 weight  0.10000E+01 volume  0.82488E-02 ppm1      8.122 ppm2      2.174 CV     1
 OR { 1942}
   (( segid "    " and resid 119  and name HN  ))
   (( segid "    " and resid 124  and name HB1 ))
 ASSI { 1944}
   (( segid "    " and resid 119  and name HN  ))
   (( segid "    " and resid 119  and name HB2 ))
      3.400     1.500     1.500 peak  1944 spectrum    1 weight  0.10000E+01 volume  0.11376E-01 ppm1      8.121 ppm2      1.657 CV     1
 ASSI { 1945}
   (( segid "    " and resid 119  and name HN  ))
   (( segid "    " and resid 119  and name HB1 ))
      2.500     0.800     0.800 peak  1945 spectrum    1 weight  0.10000E+01 volume  0.22901E-01 ppm1      8.120 ppm2      1.501 CV     1
 OR { 1945}
   (( segid "    " and resid 119  and name HN  ))
   (( segid "    " and resid 119  and name HE2 ))
 ASSI { 1946}
   (( segid "    " and resid 119  and name HN  ))
   (( segid "    " and resid 119  and name HG2 ))
      1.800     0.400     0.400 peak  1946 spectrum    1 weight  0.10000E+01 volume  0.18668E-01 ppm1      8.121 ppm2      1.304 CV     1
 ASSI { 1949}
   (( segid "    " and resid 119  and name HN  ))
   (( segid "    " and resid 119  and name HG1 ))
      3.200     1.300     1.300 peak  1949 spectrum    1 weight  0.10000E+01 volume  0.11460E-01 ppm1      8.121 ppm2      0.535 CV     1
 ASSI { 1950}
   (( segid "    " and resid 119  and name HN  ))
   (( segid "    " and resid 125  and name HG  ))
      3.700     1.800     1.800 peak  1950 spectrum    1 weight  0.10000E+01 volume  0.37440E-02 ppm1      8.119 ppm2      0.332 CV     1
 ASSI { 1952}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 54   and name HN  ))
      3.100     1.200     1.200 peak  1952 spectrum    1 weight  0.10000E+01 volume  0.47100E-02 ppm1      7.989 ppm2      8.560 CV     1
 ASSI { 1953}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 10   and name HD22))
      3.700     1.700     1.700 peak  1953 spectrum    1 weight  0.10000E+01 volume  0.63541E-02 ppm1      7.987 ppm2      6.492 CV     1
 ASSI { 1955}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 8    and name HA2 ))
      2.600     0.900     0.900 peak  1955 spectrum    1 weight  0.10000E+01 volume  0.95574E-02 ppm1      7.986 ppm2      5.759 CV     1
 ASSI { 1958}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 9    and name HB1 ))
      3.300     1.400     1.400 peak  1958 spectrum    1 weight  0.10000E+01 volume  0.52644E-02 ppm1      7.988 ppm2      3.089 CV     1
 ASSI { 1960}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 54   and name HB2 ))
      4.800     2.900     1.200 peak  1960 spectrum    1 weight  0.10000E+01 volume  0.25637E-02 ppm1      7.985 ppm2      0.977 CV     1
 ASSI { 1972}
   (( segid "    " and resid 148  and name HN  ))
   (( segid "    " and resid 145  and name HE21))
      3.400     3.400     2.600 peak  1972 spectrum    1 weight  0.10000E+01 volume  0.63128E-03 ppm1      7.569 ppm2      6.950 CV     1
 ASSI { 1973}
   (( segid "    " and resid 148  and name HN  ))
   (( segid "    " and resid 149  and name HN  ))
      2.600     0.800     0.800 peak  1973 spectrum    1 weight  0.10000E+01 volume  0.12319E-01 ppm1      7.554 ppm2      8.352 CV     1
 ASSI { 1976}
   (( segid "    " and resid 148  and name HN  ))
   (( segid "    " and resid 148  and name HA  ))
      2.800     1.000     1.000 peak  1976 spectrum    1 weight  0.10000E+01 volume  0.14904E-01 ppm1      7.555 ppm2      4.465 CV     1
 ASSI { 1977}
   (( segid "    " and resid 148  and name HN  ))
   (( segid "    " and resid 145  and name HA  ))
      3.100     1.200     1.200 peak  1977 spectrum    1 weight  0.10000E+01 volume  0.96052E-02 ppm1      7.554 ppm2      4.244 CV     1
 ASSI { 1978}
   (( segid "    " and resid 148  and name HN  ))
   (( segid "    " and resid 149  and name HA  ))
      5.100     3.300     0.900 peak  1978 spectrum    1 weight  0.10000E+01 volume  0.23768E-02 ppm1      7.552 ppm2      4.012 CV     1
 ASSI { 1980}
   (( segid "    " and resid 148  and name HN  ))
   (( segid "    " and resid 144  and name HA  ))
      5.000     3.200     1.000 peak  1980 spectrum    1 weight  0.10000E+01 volume  0.47129E-03 ppm1      7.552 ppm2      3.520 CV     1
 ASSI { 1981}
   (( segid "    " and resid 148  and name HN  ))
   (( segid "    " and resid 148  and name HB2 ))
      2.400     0.700     0.700 peak  1981 spectrum    1 weight  0.10000E+01 volume  0.34586E-01 ppm1      7.554 ppm2      3.287 CV     1
 ASSI { 1983}
   (( segid "    " and resid 148  and name HN  ))
   (( segid "    " and resid 145  and name HG2 ))
      5.200     3.300     0.800 peak  1983 spectrum    1 weight  0.10000E+01 volume  0.59062E-03 ppm1      7.554 ppm2      2.471 CV     1
 ASSI { 1987}
   (( segid "    " and resid 148  and name HN  ))
   (( segid "    " and resid 147  and name HB1 ))
      3.300     1.400     1.400 peak  1987 spectrum    1 weight  0.10000E+01 volume  0.90212E-02 ppm1      7.557 ppm2      1.083 CV     1
 ASSI { 1989}
   (( segid "    " and resid 148  and name HN  ))
   (( segid "    " and resid 147  and name HB2 ))
      3.000     1.100     1.100 peak  1989 spectrum    1 weight  0.10000E+01 volume  0.85291E-02 ppm1      7.553 ppm2      0.690 CV     1
 ASSI { 1991}
   (( segid "    " and resid 148  and name HN  ))
   (( segid "    " and resid 145  and name HN  ))
      3.900     1.900     1.900 peak  1991 spectrum    1 weight  0.10000E+01 volume  0.21087E-02 ppm1      7.547 ppm2      6.762 CV     1
 ASSI { 1992}
   (( segid "    " and resid 148  and name HN  ))
   (( segid "    " and resid 146  and name HB  ))
      4.600     2.700     1.400 peak  1992 spectrum    1 weight  0.10000E+01 volume  0.17009E-02 ppm1      7.548 ppm2      1.803 CV     1
 ASSI { 1993}
   (( segid "    " and resid 148  and name HN  ))
   (( segid "    " and resid 150  and name HG2 ))
      5.500     3.800     0.500 peak  1993 spectrum    1 weight  0.10000E+01 volume  0.54276E-03 ppm1      7.545 ppm2      1.461 CV     1
 ASSI { 1995}
   (( segid "    " and resid 94   and name HN  ))
   (( segid "    " and resid 95   and name HN  ))
      5.400     3.600     0.600 peak  1995 spectrum    1 weight  0.10000E+01 volume  0.79391E-03 ppm1      6.369 ppm2      9.220 CV     1
 ASSI { 1996}
   (( segid "    " and resid 94   and name HN  ))
   (( segid "    " and resid 83   and name HN  ))
      4.700     2.800     1.300 peak  1996 spectrum    1 weight  0.10000E+01 volume  0.13456E-02 ppm1      6.371 ppm2      8.210 CV     1
 ASSI { 2000}
   (( segid "    " and resid 94   and name HN  ))
   (( segid "    " and resid 82   and name HA  ))
      5.900     4.400     0.100 peak  2000 spectrum    1 weight  0.10000E+01 volume  0.43986E-03 ppm1      6.368 ppm2      4.383 CV     1
 ASSI { 2001}
   (( segid "    " and resid 94   and name HN  ))
   (( segid "    " and resid 92   and name HD2 ))
      3.400     1.400     1.400 peak  2001 spectrum    1 weight  0.10000E+01 volume  0.48363E-02 ppm1      6.367 ppm2      3.509 CV     1
 ASSI { 2002}
   (( segid "    " and resid 94   and name HN  ))
   (( segid "    " and resid 92   and name HD1 ))
      3.400     1.400     1.400 peak  2002 spectrum    1 weight  0.10000E+01 volume  0.46061E-02 ppm1      6.367 ppm2      3.344 CV     1
 ASSI { 2003}
   (( segid "    " and resid 94   and name HN  ))
   (  segid "    " and resid 93   and name HG2%)
      3.500     1.500     1.500 peak  2003 spectrum    1 weight  0.10000E+01 volume  0.10336E-01 ppm1      6.368 ppm2      1.248 CV     1
 ASSI { 2004}
   (( segid "    " and resid 94   and name HN  ))
   (( segid "    " and resid 93   and name HN  ))
      3.000     1.100     1.100 peak  2004 spectrum    1 weight  0.10000E+01 volume  0.90515E-02 ppm1      6.363 ppm2      8.748 CV     1
 ASSI { 2009}
   (( segid "    " and resid 94   and name HN  ))
   (( segid "    " and resid 93   and name HB  ))
      3.100     1.200     1.200 peak  2009 spectrum    1 weight  0.10000E+01 volume  0.83687E-02 ppm1      6.363 ppm2      4.124 CV     1
 ASSI { 2016}
   (( segid "    " and resid 94   and name HN  ))
   (  segid "    " and resid 7    and name HG2%)
      3.600     3.600     2.400 peak  2016 spectrum    1 weight  0.10000E+01 volume  0.12202E-01 ppm1      6.364 ppm2      0.826 CV     1
 ASSI { 2023}
   (( segid "    " and resid 125  and name HN  ))
   (( segid "    " and resid 126  and name HA  ))
      4.600     2.700     1.400 peak  2023 spectrum    1 weight  0.10000E+01 volume  0.27405E-02 ppm1      7.611 ppm2      4.807 CV     1
 ASSI { 2024}
   (( segid "    " and resid 125  and name HN  ))
   (( segid "    " and resid 124  and name HA  ))
      4.400     2.400     1.600 peak  2024 spectrum    1 weight  0.10000E+01 volume  0.10955E-02 ppm1      7.608 ppm2      4.392 CV     1
 ASSI { 2025}
   (( segid "    " and resid 125  and name HN  ))
   (( segid "    " and resid 125  and name HA  ))
      3.200     1.300     1.300 peak  2025 spectrum    1 weight  0.10000E+01 volume  0.32699E-02 ppm1      7.606 ppm2      3.804 CV     1
 ASSI { 2026}
   (( segid "    " and resid 125  and name HN  ))
   (( segid "    " and resid 128  and name HB2 ))
      4.500     2.500     1.500 peak  2026 spectrum    1 weight  0.10000E+01 volume  0.95948E-03 ppm1      7.607 ppm2      2.027 CV     1
 ASSI { 2027}
   (( segid "    " and resid 125  and name HN  ))
   (( segid "    " and resid 128  and name HB1 ))
      5.000     3.200     1.000 peak  2027 spectrum    1 weight  0.10000E+01 volume  0.81280E-03 ppm1      7.607 ppm2      1.254 CV     1
 ASSI { 2028}
   (( segid "    " and resid 125  and name HN  ))
   (( segid "    " and resid 125  and name HB1 ))
      3.500     1.500     1.500 peak  2028 spectrum    1 weight  0.10000E+01 volume  0.72531E-02 ppm1      7.608 ppm2      0.950 CV     1
 ASSI { 2029}
   (( segid "    " and resid 125  and name HN  ))
   (  segid "    " and resid 125  and name HD2%)
      3.900     1.900     1.900 peak  2029 spectrum    1 weight  0.10000E+01 volume  0.58898E-02 ppm1      7.608 ppm2      0.470 CV     1
 OR { 2029}
   (( segid "    " and resid 125  and name HN  ))
   (  segid "    " and resid 125  and name HD1%)
 ASSI { 2030}
   (( segid "    " and resid 125  and name HN  ))
   (( segid "    " and resid 125  and name HG  ))
      2.800     1.000     1.000 peak  2030 spectrum    1 weight  0.10000E+01 volume  0.51769E-02 ppm1      7.609 ppm2      0.335 CV     1
 ASSI { 2039}
   (( segid "    " and resid 108  and name HN  ))
   (( segid "    " and resid 107  and name HN  ))
      4.300     2.300     1.700 peak  2039 spectrum    1 weight  0.10000E+01 volume  0.35768E-02 ppm1      8.978 ppm2      9.227 CV     1
 ASSI { 2043}
   (( segid "    " and resid 108  and name HN  ))
   (( segid "    " and resid 107  and name HA  ))
      2.100     0.600     0.600 peak  2043 spectrum    1 weight  0.10000E+01 volume  0.39392E-01 ppm1      8.980 ppm2      5.513 CV     1
 ASSI { 2044}
   (( segid "    " and resid 108  and name HN  ))
   (( segid "    " and resid 112  and name HA  ))
      3.800     1.800     1.800 peak  2044 spectrum    1 weight  0.10000E+01 volume  0.45546E-02 ppm1      8.980 ppm2      5.239 CV     1
 ASSI { 2046}
   (( segid "    " and resid 108  and name HN  ))
   (( segid "    " and resid 108  and name HB  ))
      3.900     1.900     1.900 peak  2046 spectrum    1 weight  0.10000E+01 volume  0.44346E-02 ppm1      8.979 ppm2      4.663 CV     1
 ASSI { 2049}
   (( segid "    " and resid 108  and name HN  ))
   (( segid "    " and resid 107  and name HB2 ))
      3.700     1.700     1.700 peak  2049 spectrum    1 weight  0.10000E+01 volume  0.12054E-01 ppm1      8.980 ppm2      2.710 CV     1
 ASSI { 2050}
   (( segid "    " and resid 108  and name HN  ))
   (( segid "    " and resid 109  and name HB2 ))
      6.000     5.500     0.000 peak  2050 spectrum    1 weight  0.10000E+01 volume  0.46044E-03 ppm1      8.977 ppm2      2.037 CV     1
 OR { 2050}
   (( segid "    " and resid 108  and name HN  ))
   (( segid "    " and resid 109  and name HB1 ))
 ASSI { 2052}
   (( segid "    " and resid 108  and name HN  ))
   (  segid "    " and resid 108  and name HG2%)
      2.900     2.900     3.100 peak  2052 spectrum    1 weight  0.10000E+01 volume  0.16589E-01 ppm1      8.980 ppm2      1.219 CV     1
 ASSI { 2054}
   (( segid "    " and resid 108  and name HN  ))
   (  segid "    " and resid 111  and name HD1%)
      4.800     2.800     1.200 peak  2054 spectrum    1 weight  0.10000E+01 volume  0.83774E-03 ppm1      8.980 ppm2      0.332 CV     1
 ASSI { 2060}
   (( segid "    " and resid 125  and name HN  ))
   (( segid "    " and resid 122  and name HA2 ))
      4.400     2.500     1.600 peak  2060 spectrum    1 weight  0.10000E+01 volume  0.72731E-03 ppm1      7.609 ppm2      2.853 CV     1
 ASSI { 2061}
   (( segid "    " and resid 125  and name HN  ))
   (( segid "    " and resid 124  and name HB2 ))
      3.100     1.200     1.200 peak  2061 spectrum    1 weight  0.10000E+01 volume  0.38215E-02 ppm1      7.606 ppm2      2.180 CV     1
 OR { 2061}
   (( segid "    " and resid 125  and name HN  ))
   (( segid "    " and resid 124  and name HB1 ))
 ASSI { 2077}
   (( segid "    " and resid 108  and name HN  ))
   (( segid "    " and resid 110  and name HN  ))
      5.400     3.700     0.600 peak  2077 spectrum    1 weight  0.10000E+01 volume  0.87263E-03 ppm1      8.978 ppm2      7.939 CV     1
 ASSI { 2079}
   (( segid "    " and resid 134  and name HN  ))
   (( segid "    " and resid 132  and name HA  ))
      3.100     1.200     1.200 peak  2079 spectrum    1 weight  0.10000E+01 volume  0.87081E-02 ppm1      8.283 ppm2      4.785 CV     1
 ASSI { 2080}
   (( segid "    " and resid 134  and name HN  ))
   (( segid "    " and resid 133  and name HA  ))
      3.400     1.400     1.400 peak  2080 spectrum    1 weight  0.10000E+01 volume  0.35122E-02 ppm1      8.282 ppm2      4.107 CV     1
 ASSI { 2081}
   (( segid "    " and resid 134  and name HN  ))
   (( segid "    " and resid 133  and name HD1 ))
      4.100     2.100     1.900 peak  2081 spectrum    1 weight  0.10000E+01 volume  0.46713E-02 ppm1      8.281 ppm2      3.422 CV     1
 ASSI { 2082}
   (( segid "    " and resid 134  and name HN  ))
   (( segid "    " and resid 135  and name HG  ))
      4.500     2.600     1.500 peak  2082 spectrum    1 weight  0.10000E+01 volume  0.23963E-02 ppm1      8.283 ppm2      1.274 CV     1
 ASSI { 2085}
   (( segid "    " and resid 134  and name HN  ))
   (( segid "    " and resid 134  and name HA  ))
      2.900     1.100     1.100 peak  2085 spectrum    1 weight  0.10000E+01 volume  0.11148E-01 ppm1      8.279 ppm2      4.552 CV     1
 ASSI { 2087}
   (( segid "    " and resid 134  and name HN  ))
   (( segid "    " and resid 133  and name HD2 ))
      3.100     1.200     1.200 peak  2087 spectrum    1 weight  0.10000E+01 volume  0.38325E-02 ppm1      8.278 ppm2      3.118 CV     1
 ASSI { 2088}
   (( segid "    " and resid 134  and name HN  ))
   (( segid "    " and resid 134  and name HG2 ))
      2.600     0.900     0.900 peak  2088 spectrum    1 weight  0.10000E+01 volume  0.23435E-01 ppm1      8.280 ppm2      2.312 CV     1
 OR { 2088}
   (( segid "    " and resid 134  and name HN  ))
   (( segid "    " and resid 134  and name HB1 ))
 ASSI { 2089}
   (( segid "    " and resid 134  and name HN  ))
   (( segid "    " and resid 134  and name HG1 ))
      3.100     1.200     1.200 peak  2089 spectrum    1 weight  0.10000E+01 volume  0.99083E-02 ppm1      8.280 ppm2      2.113 CV     1
 ASSI { 2090}
   (( segid "    " and resid 134  and name HN  ))
   (( segid "    " and resid 134  and name HB2 ))
      2.700     0.900     0.900 peak  2090 spectrum    1 weight  0.10000E+01 volume  0.32400E-01 ppm1      8.280 ppm2      1.762 CV     1
 ASSI { 2092}
   (( segid "    " and resid 134  and name HN  ))
   (  segid "    " and resid 132  and name HB% )
      3.400     1.500     1.500 peak  2092 spectrum    1 weight  0.10000E+01 volume  0.69831E-02 ppm1      8.279 ppm2      1.003 CV     1
 ASSI { 2097}
   (( segid "    " and resid 48   and name HE22))
   (( segid "    " and resid 45   and name HA  ))
      6.000     6.000     0.000 peak  2097 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.778 ppm2      4.618 CV     1
 ASSI { 2103}
   (( segid "    " and resid 48   and name HE22))
   (( segid "    " and resid 48   and name HG2 ))
      3.400     1.400     1.400 peak  2103 spectrum    1 weight  0.10000E+01 volume  0.12046E-01 ppm1      7.768 ppm2      2.536 CV     1
 ASSI { 2104}
   (( segid "    " and resid 48   and name HE22))
   (( segid "    " and resid 48   and name HB1 ))
      5.100     3.300     0.900 peak  2104 spectrum    1 weight  0.10000E+01 volume  0.14386E-02 ppm1      7.771 ppm2      2.283 CV     1
 ASSI { 2105}
   (( segid "    " and resid 125  and name HN  ))
   (( segid "    " and resid 123  and name HN  ))
      4.300     2.300     1.700 peak  2105 spectrum    1 weight  0.10000E+01 volume  0.12224E-02 ppm1      7.604 ppm2      6.938 CV     1
 ASSI { 2109}
   (( segid "    " and resid 48   and name HE21))
   (( segid "    " and resid 48   and name HE22))
      1.600     0.300     0.600 peak  2109 spectrum    1 weight  0.10000E+01 volume  0.49795E-01 ppm1      7.039 ppm2      7.766 CV     1
 ASSI { 2112}
   (( segid "    " and resid 48   and name HE21))
   (( segid "    " and resid 90   and name HA2 ))
      4.000     2.000     2.000 peak  2112 spectrum    1 weight  0.10000E+01 volume  0.26748E-02 ppm1      7.039 ppm2      4.313 CV     1
 ASSI { 2113}
   (( segid "    " and resid 48   and name HE21))
   (( segid "    " and resid 48   and name HG2 ))
      3.000     1.100     1.100 peak  2113 spectrum    1 weight  0.10000E+01 volume  0.51893E-02 ppm1      7.040 ppm2      2.535 CV     1
 ASSI { 2114}
   (( segid "    " and resid 48   and name HE21))
   (( segid "    " and resid 50   and name HB1 ))
      5.100     3.200     0.900 peak  2114 spectrum    1 weight  0.10000E+01 volume  0.12068E-02 ppm1      7.041 ppm2      1.998 CV     1
 OR { 2114}
   (( segid "    " and resid 48   and name HE21))
   (( segid "    " and resid 50   and name HB2 ))
 ASSI { 2118}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 29   and name HA  ))
      2.300     0.700     0.700 peak  2118 spectrum    1 weight  0.10000E+01 volume  0.29919E-01 ppm1      8.934 ppm2      4.338 CV     1
 ASSI { 2120}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 30   and name HA  ))
      2.400     0.700     0.700 peak  2120 spectrum    1 weight  0.10000E+01 volume  0.28432E-01 ppm1      8.934 ppm2      3.920 CV     1
 ASSI { 2123}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 30   and name HG1 ))
      3.100     1.200     1.200 peak  2123 spectrum    1 weight  0.10000E+01 volume  0.18354E-01 ppm1      8.934 ppm2      2.144 CV     1
 ASSI { 2124}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 29   and name HB1 ))
      3.600     1.600     1.600 peak  2124 spectrum    1 weight  0.10000E+01 volume  0.90096E-02 ppm1      8.935 ppm2      1.922 CV     1
 ASSI { 2128}
   (( segid "    " and resid 102  and name HN  ))
   (( segid "    " and resid 101  and name HN  ))
      6.000     5.000     0.000 peak  2128 spectrum    1 weight  0.10000E+01 volume  0.15341E-03 ppm1      8.401 ppm2      9.844 CV     1
 ASSI { 2131}
   (( segid "    " and resid 102  and name HN  ))
   (( segid "    " and resid 2    and name HA  ))
      3.300     3.300     2.700 peak  2131 spectrum    1 weight  0.10000E+01 volume  0.71872E-03 ppm1      8.402 ppm2      4.238 CV     1
 ASSI { 2132}
   (( segid "    " and resid 102  and name HN  ))
   (( segid "    " and resid 101  and name HB2 ))
      4.600     2.700     1.400 peak  2132 spectrum    1 weight  0.10000E+01 volume  0.33758E-02 ppm1      8.403 ppm2      3.327 CV     1
 ASSI { 2133}
   (( segid "    " and resid 102  and name HN  ))
   (( segid "    " and resid 101  and name HB1 ))
      4.300     2.300     1.700 peak  2133 spectrum    1 weight  0.10000E+01 volume  0.37182E-02 ppm1      8.401 ppm2      2.313 CV     1
 ASSI { 2150}
   (( segid "    " and resid 156  and name HD21))
   (( segid "    " and resid 156  and name HA  ))
      5.800     4.300     0.200 peak  2150 spectrum    1 weight  0.10000E+01 volume  0.66794E-03 ppm1      7.789 ppm2      4.955 CV     1
 ASSI { 2152}
   (( segid "    " and resid 156  and name HD21))
   (( segid "    " and resid 156  and name HB1 ))
      2.700     0.900     0.900 peak  2152 spectrum    1 weight  0.10000E+01 volume  0.16756E-01 ppm1      7.791 ppm2      2.857 CV     1
 OR { 2152}
   (( segid "    " and resid 156  and name HD21))
   (( segid "    " and resid 156  and name HB2 ))
 ASSI { 2154}
   (( segid "    " and resid 48   and name HE22))
   (( segid "    " and resid 44   and name HB2 ))
      4.400     2.400     1.600 peak  2154 spectrum    1 weight  0.10000E+01 volume  0.15212E-02 ppm1      7.766 ppm2      1.955 CV     1
 OR { 2154}
   (( segid "    " and resid 48   and name HE22))
   (( segid "    " and resid 44   and name HB1 ))
 ASSI { 2156}
   (( segid "    " and resid 156  and name HD22))
   (( segid "    " and resid 156  and name HN  ))
      5.100     3.200     0.900 peak  2156 spectrum    1 weight  0.10000E+01 volume  0.17462E-02 ppm1      7.090 ppm2      9.322 CV     1
 ASSI { 2157}
   (( segid "    " and resid 156  and name HD22))
   (( segid "    " and resid 156  and name HD21))
      1.800     0.400     0.400 peak  2157 spectrum    1 weight  0.10000E+01 volume  0.53444E-01 ppm1      7.094 ppm2      7.788 CV     1
 ASSI { 2159}
   (( segid "    " and resid 156  and name HD22))
   (( segid "    " and resid 156  and name HA  ))
      6.000     6.000     0.000 peak  2159 spectrum    1 weight  0.10000E+01 volume  0.38987E-03 ppm1      7.091 ppm2      4.942 CV     1
 ASSI { 2160}
   (( segid "    " and resid 156  and name HD22))
   (( segid "    " and resid 156  and name HB1 ))
      3.700     1.700     1.700 peak  2160 spectrum    1 weight  0.10000E+01 volume  0.13206E-01 ppm1      7.095 ppm2      2.860 CV     1
 OR { 2160}
   (( segid "    " and resid 156  and name HD22))
   (( segid "    " and resid 156  and name HB2 ))
 ASSI { 2161}
   (( segid "    " and resid 48   and name HE21))
   (( segid "    " and resid 10   and name HD21))
      5.000     3.100     1.000 peak  2161 spectrum    1 weight  0.10000E+01 volume  0.13836E-02 ppm1      7.038 ppm2      6.868 CV     1
 ASSI { 2163}
   (( segid "    " and resid 48   and name HE21))
   (( segid "    " and resid 44   and name HG2 ))
      4.500     2.500     1.500 peak  2163 spectrum    1 weight  0.10000E+01 volume  0.18449E-02 ppm1      7.039 ppm2      2.206 CV     1
 OR { 2163}
   (( segid "    " and resid 48   and name HE21))
   (( segid "    " and resid 44   and name HG1 ))
 ASSI { 2164}
   (( segid "    " and resid 128  and name HN  ))
   (( segid "    " and resid 129  and name HN  ))
      2.600     0.800     0.800 peak  2164 spectrum    1 weight  0.10000E+01 volume  0.11497E-01 ppm1      6.569 ppm2      8.663 CV     1
 ASSI { 2167}
   (( segid "    " and resid 128  and name HN  ))
   (( segid "    " and resid 126  and name HA  ))
      3.600     1.700     1.700 peak  2167 spectrum    1 weight  0.10000E+01 volume  0.48567E-02 ppm1      6.570 ppm2      4.795 CV     1
 ASSI { 2168}
   (( segid "    " and resid 128  and name HN  ))
   (( segid "    " and resid 127  and name HA  ))
      3.700     1.700     1.700 peak  2168 spectrum    1 weight  0.10000E+01 volume  0.33783E-02 ppm1      6.569 ppm2      4.533 CV     1
 ASSI { 2169}
   (( segid "    " and resid 128  and name HN  ))
   (( segid "    " and resid 125  and name HA  ))
      2.800     2.800     3.200 peak  2169 spectrum    1 weight  0.10000E+01 volume  0.12670E-01 ppm1      6.570 ppm2      3.837 CV     1
 ASSI { 2170}
   (( segid "    " and resid 128  and name HN  ))
   (( segid "    " and resid 127  and name HD1 ))
      3.900     1.900     1.900 peak  2170 spectrum    1 weight  0.10000E+01 volume  0.41221E-02 ppm1      6.571 ppm2      3.395 CV     1
 ASSI { 2172}
   (( segid "    " and resid 128  and name HN  ))
   (( segid "    " and resid 129  and name HB1 ))
      4.200     2.200     1.800 peak  2172 spectrum    1 weight  0.10000E+01 volume  0.53502E-02 ppm1      6.567 ppm2      2.881 CV     1
 ASSI { 2173}
   (( segid "    " and resid 128  and name HN  ))
   (( segid "    " and resid 127  and name HB2 ))
      2.800     1.000     1.000 peak  2173 spectrum    1 weight  0.10000E+01 volume  0.51778E-02 ppm1      6.568 ppm2      2.702 CV     1
 ASSI { 2175}
   (( segid "    " and resid 128  and name HN  ))
   (( segid "    " and resid 127  and name HG1 ))
      4.200     2.200     1.800 peak  2175 spectrum    1 weight  0.10000E+01 volume  0.58795E-02 ppm1      6.571 ppm2      1.562 CV     1
 ASSI { 2177}
   (( segid "    " and resid 128  and name HN  ))
   (  segid "    " and resid 128  and name HD1%)
      3.900     1.900     1.900 peak  2177 spectrum    1 weight  0.10000E+01 volume  0.91764E-02 ppm1      6.569 ppm2      0.578 CV     1
 OR { 2177}
   (( segid "    " and resid 128  and name HN  ))
   (  segid "    " and resid 128  and name HD2%)
 ASSI { 2178}
   (( segid "    " and resid 128  and name HN  ))
   (( segid "    " and resid 128  and name HG  ))
      3.800     1.800     1.800 peak  2178 spectrum    1 weight  0.10000E+01 volume  0.88835E-02 ppm1      6.569 ppm2      0.305 CV     1
 ASSI { 2182}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 76   and name HN  ))
      5.600     4.000     0.400 peak  2182 spectrum    1 weight  0.10000E+01 volume  0.50432E-03 ppm1      9.344 ppm2      8.000 CV     1
 ASSI { 2183}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 72   and name HN  ))
      2.500     0.800     0.800 peak  2183 spectrum    1 weight  0.10000E+01 volume  0.15940E-01 ppm1      9.344 ppm2      7.772 CV     1
 ASSI { 2187}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 70   and name HA  ))
      3.500     1.500     1.500 peak  2187 spectrum    1 weight  0.10000E+01 volume  0.33254E-02 ppm1      9.343 ppm2      4.597 CV     1
 ASSI { 2189}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 73   and name HA  ))
      2.800     1.000     1.000 peak  2189 spectrum    1 weight  0.10000E+01 volume  0.11143E-01 ppm1      9.343 ppm2      4.346 CV     1
 ASSI { 2190}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 73   and name HB  ))
      3.400     1.500     1.500 peak  2190 spectrum    1 weight  0.10000E+01 volume  0.83842E-02 ppm1      9.342 ppm2      3.947 CV     1
 ASSI { 2191}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 72   and name HB1 ))
      3.400     1.400     1.400 peak  2191 spectrum    1 weight  0.10000E+01 volume  0.69612E-02 ppm1      9.342 ppm2      3.452 CV     1
 ASSI { 2192}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 72   and name HB2 ))
      2.900     1.000     1.000 peak  2192 spectrum    1 weight  0.10000E+01 volume  0.11646E-01 ppm1      9.343 ppm2      2.960 CV     1
 ASSI { 2193}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 71   and name HB1 ))
      5.700     4.100     0.300 peak  2193 spectrum    1 weight  0.10000E+01 volume  0.64772E-03 ppm1      9.344 ppm2      2.602 CV     1
 ASSI { 2194}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 68   and name HG2 ))
      3.200     3.200     2.800 peak  2194 spectrum    1 weight  0.10000E+01 volume  0.91979E-03 ppm1      9.343 ppm2      2.407 CV     1
 OR { 2194}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 68   and name HG1 ))
 ASSI { 2198}
   (( segid "    " and resid 73   and name HN  ))
   (  segid "    " and resid 73   and name HG2%)
      2.300     2.300     3.700 peak  2198 spectrum    1 weight  0.10000E+01 volume  0.26904E-01 ppm1      9.343 ppm2      1.070 CV     1
 ASSI { 2204}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 7    and name HN  ))
      5.500     3.700     0.500 peak  2204 spectrum    1 weight  0.10000E+01 volume  0.79913E-03 ppm1      8.728 ppm2      8.966 CV     1
 ASSI { 2205}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 9    and name HN  ))
      4.700     2.700     1.300 peak  2205 spectrum    1 weight  0.10000E+01 volume  0.17010E-02 ppm1      8.726 ppm2      7.992 CV     1
 ASSI { 2206}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 8    and name HA2 ))
      3.100     1.200     1.200 peak  2206 spectrum    1 weight  0.10000E+01 volume  0.52894E-02 ppm1      8.731 ppm2      5.754 CV     1
 ASSI { 2207}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 96   and name HA  ))
      5.800     4.200     0.200 peak  2207 spectrum    1 weight  0.10000E+01 volume  0.45135E-03 ppm1      8.730 ppm2      5.364 CV     1
 ASSI { 2208}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 94   and name HA  ))
      2.700     0.900     0.900 peak  2208 spectrum    1 weight  0.10000E+01 volume  0.28427E-01 ppm1      8.728 ppm2      4.825 CV     1
 ASSI { 2209}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 8    and name HA1 ))
      2.800     1.000     1.000 peak  2209 spectrum    1 weight  0.10000E+01 volume  0.62078E-02 ppm1      8.731 ppm2      4.157 CV     1
 ASSI { 2210}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 95   and name HB2 ))
      6.000     4.600     0.000 peak  2210 spectrum    1 weight  0.10000E+01 volume  0.40242E-03 ppm1      8.734 ppm2      2.966 CV     1
 ASSI { 2211}
   (( segid "    " and resid 8    and name HN  ))
   (  segid "    " and resid 7    and name HG2%)
      1.900     1.900     4.100 peak  2211 spectrum    1 weight  0.10000E+01 volume  0.35745E-01 ppm1      8.730 ppm2      0.790 CV     1
 ASSI { 2214}
   (( segid "    " and resid 107  and name HD21))
   (( segid "    " and resid 107  and name HD22))
      1.600     0.300     0.600 peak  2214 spectrum    1 weight  0.10000E+01 volume  0.12068E+00 ppm1      7.816 ppm2      6.797 CV     1
 ASSI { 2215}
   (( segid "    " and resid 107  and name HD21))
   (( segid "    " and resid 107  and name HA  ))
      4.800     2.900     1.200 peak  2215 spectrum    1 weight  0.10000E+01 volume  0.57624E-03 ppm1      7.816 ppm2      5.505 CV     1
 ASSI { 2216}
   (( segid "    " and resid 107  and name HD21))
   (( segid "    " and resid 107  and name HB2 ))
      3.000     1.100     1.100 peak  2216 spectrum    1 weight  0.10000E+01 volume  0.13842E-01 ppm1      7.816 ppm2      2.699 CV     1
 ASSI { 2223}
   (( segid "    " and resid 107  and name HD22))
   (  segid "    " and resid 112  and name HG2%)
      4.600     2.700     1.400 peak  2223 spectrum    1 weight  0.10000E+01 volume  0.23026E-02 ppm1      6.803 ppm2      1.450 CV     1
 ASSI { 2225}
   (( segid "    " and resid 128  and name HN  ))
   (( segid "    " and resid 128  and name HB1 ))
      3.200     1.200     1.200 peak  2225 spectrum    1 weight  0.10000E+01 volume  0.59067E-02 ppm1      6.568 ppm2      1.216 CV     1
 ASSI { 2227}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 96   and name HB1 ))
      3.000     3.000     3.000 peak  2227 spectrum    1 weight  0.10000E+01 volume  0.20641E-01 ppm1      8.733 ppm2      0.959 CV     1
 ASSI { 2231}
   (( segid "    " and resid 107  and name HD21))
   (( segid "    " and resid 106  and name HA  ))
      5.300     3.400     0.700 peak  2231 spectrum    1 weight  0.10000E+01 volume  0.82450E-03 ppm1      7.814 ppm2      4.313 CV     1
 ASSI { 2247}
   (( segid "    " and resid 107  and name HD22))
   (( segid "    " and resid 107  and name HA  ))
      6.000     5.200     0.000 peak  2247 spectrum    1 weight  0.10000E+01 volume  0.46996E-03 ppm1      6.801 ppm2      5.519 CV     1
 ASSI { 2259}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 65   and name HN  ))
      4.400     2.400     1.600 peak  2259 spectrum    1 weight  0.10000E+01 volume  0.34127E-02 ppm1      8.734 ppm2      8.405 CV     1
 ASSI { 2260}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 69   and name HN  ))
      3.600     1.600     1.600 peak  2260 spectrum    1 weight  0.10000E+01 volume  0.48925E-02 ppm1      8.732 ppm2      8.225 CV     1
 ASSI { 2263}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 65   and name HA  ))
      3.800     1.800     1.800 peak  2263 spectrum    1 weight  0.10000E+01 volume  0.37247E-02 ppm1      8.735 ppm2      4.600 CV     1
 ASSI { 2264}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 66   and name HD2 ))
      2.400     2.400     3.600 peak  2264 spectrum    1 weight  0.10000E+01 volume  0.17715E-01 ppm1      8.733 ppm2      3.640 CV     1
 ASSI { 2265}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 66   and name HA  ))
      2.700     0.900     0.900 peak  2265 spectrum    1 weight  0.10000E+01 volume  0.12587E-01 ppm1      8.734 ppm2      3.373 CV     1
 ASSI { 2266}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 68   and name HG2 ))
      6.000     4.900     0.000 peak  2266 spectrum    1 weight  0.10000E+01 volume  0.13465E-02 ppm1      8.733 ppm2      2.404 CV     1
 OR { 2266}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 68   and name HG1 ))
 ASSI { 2267}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 67   and name HG1 ))
      2.900     1.000     1.000 peak  2267 spectrum    1 weight  0.10000E+01 volume  0.16537E-01 ppm1      8.734 ppm2      2.155 CV     1
 ASSI { 2268}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 67   and name HB1 ))
      2.600     0.900     0.900 peak  2268 spectrum    1 weight  0.10000E+01 volume  0.36178E-01 ppm1      8.734 ppm2      1.848 CV     1
 OR { 2268}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 67   and name HB2 ))
 ASSI { 2269}
   (( segid "    " and resid 67   and name HN  ))
   (  segid "    " and resid 65   and name HB% )
      2.700     0.900     0.900 peak  2269 spectrum    1 weight  0.10000E+01 volume  0.21502E-01 ppm1      8.735 ppm2      1.447 CV     1
 ASSI { 2271}
   (( segid "    " and resid 67   and name HN  ))
   (  segid "    " and resid 111  and name HD1%)
      3.600     1.600     1.600 peak  2271 spectrum    1 weight  0.10000E+01 volume  0.85954E-02 ppm1      8.734 ppm2      0.333 CV     1
 ASSI { 2277}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 48   and name HE22))
      4.900     3.000     1.100 peak  2277 spectrum    1 weight  0.10000E+01 volume  0.24797E-02 ppm1      8.562 ppm2      7.767 CV     1
 ASSI { 2278}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 89   and name HE3 ))
      5.600     3.900     0.400 peak  2278 spectrum    1 weight  0.10000E+01 volume  0.47493E-03 ppm1      8.562 ppm2      7.599 CV     1
 ASSI { 2280}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 46   and name HA1 ))
      3.100     1.200     1.200 peak  2280 spectrum    1 weight  0.10000E+01 volume  0.89946E-02 ppm1      8.562 ppm2      4.694 CV     1
 ASSI { 2281}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 45   and name HA  ))
      2.100     0.600     0.600 peak  2281 spectrum    1 weight  0.10000E+01 volume  0.36928E-01 ppm1      8.562 ppm2      4.566 CV     1
 ASSI { 2283}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 90   and name HA1 ))
      4.600     2.700     1.400 peak  2283 spectrum    1 weight  0.10000E+01 volume  0.38376E-02 ppm1      8.560 ppm2      3.903 CV     1
 ASSI { 2284}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 46   and name HA2 ))
      2.500     0.800     0.800 peak  2284 spectrum    1 weight  0.10000E+01 volume  0.18718E-01 ppm1      8.562 ppm2      3.666 CV     1
 ASSI { 2286}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 45   and name HB1 ))
      3.700     1.800     1.800 peak  2286 spectrum    1 weight  0.10000E+01 volume  0.81917E-02 ppm1      8.562 ppm2      1.598 CV     1
 OR { 2286}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 45   and name HB2 ))
 ASSI { 2287}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 45   and name HG  ))
      4.000     2.000     2.000 peak  2287 spectrum    1 weight  0.10000E+01 volume  0.48556E-02 ppm1      8.561 ppm2      1.340 CV     1
 ASSI { 2289}
   (( segid "    " and resid 46   and name HN  ))
   (  segid "    " and resid 45   and name HD2%)
      4.500     2.600     1.500 peak  2289 spectrum    1 weight  0.10000E+01 volume  0.39772E-02 ppm1      8.562 ppm2      0.824 CV     1
 ASSI { 2306}
   (( segid "    " and resid 93   and name HN  ))
   (( segid "    " and resid 92   and name HA  ))
      2.600     0.800     0.800 peak  2306 spectrum    1 weight  0.10000E+01 volume  0.15864E-01 ppm1      8.753 ppm2      4.911 CV     1
 ASSI { 2307}
   (( segid "    " and resid 93   and name HN  ))
   (( segid "    " and resid 94   and name HA  ))
      3.600     1.600     1.600 peak  2307 spectrum    1 weight  0.10000E+01 volume  0.86785E-02 ppm1      8.755 ppm2      4.875 CV     1
 ASSI { 2308}
   (( segid "    " and resid 93   and name HN  ))
   (( segid "    " and resid 93   and name HA  ))
      2.800     1.000     1.000 peak  2308 spectrum    1 weight  0.10000E+01 volume  0.10522E-01 ppm1      8.756 ppm2      4.031 CV     1
 ASSI { 2309}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 68   and name HA  ))
      5.000     3.100     1.000 peak  2309 spectrum    1 weight  0.10000E+01 volume  0.16496E-02 ppm1      8.744 ppm2      4.357 CV     1
 ASSI { 2317}
   (( segid "    " and resid 149  and name HN  ))
   (( segid "    " and resid 145  and name HG2 ))
      6.000     4.600     0.000 peak  2317 spectrum    1 weight  0.10000E+01 volume  0.13595E-03 ppm1      8.360 ppm2      2.476 CV     1
 ASSI { 2318}
   (( segid "    " and resid 149  and name HN  ))
   (( segid "    " and resid 147  and name HB1 ))
      4.700     2.700     1.300 peak  2318 spectrum    1 weight  0.10000E+01 volume  0.20075E-02 ppm1      8.364 ppm2      1.090 CV     1
 ASSI { 2324}
   (( segid "    " and resid 149  and name HN  ))
   (( segid "    " and resid 148  and name HA  ))
      3.500     1.600     1.600 peak  2324 spectrum    1 weight  0.10000E+01 volume  0.51448E-02 ppm1      8.356 ppm2      4.461 CV     1
 ASSI { 2325}
   (( segid "    " and resid 149  and name HN  ))
   (( segid "    " and resid 149  and name HB  ))
      2.500     0.800     0.800 peak  2325 spectrum    1 weight  0.10000E+01 volume  0.15628E-01 ppm1      8.357 ppm2      4.189 CV     1
 ASSI { 2328}
   (( segid "    " and resid 149  and name HN  ))
   (( segid "    " and resid 148  and name HB2 ))
      3.400     1.400     1.400 peak  2328 spectrum    1 weight  0.10000E+01 volume  0.18881E-01 ppm1      8.358 ppm2      3.295 CV     1
 ASSI { 2330}
   (( segid "    " and resid 149  and name HN  ))
   (( segid "    " and resid 150  and name HG2 ))
      4.200     2.200     1.800 peak  2330 spectrum    1 weight  0.10000E+01 volume  0.25649E-02 ppm1      8.356 ppm2      1.436 CV     1
 ASSI { 2332}
   (( segid "    " and resid 149  and name HN  ))
   (( segid "    " and resid 150  and name HB2 ))
      5.100     3.200     0.900 peak  2332 spectrum    1 weight  0.10000E+01 volume  0.37752E-02 ppm1      8.355 ppm2      0.924 CV     1
 ASSI { 2333}
   (( segid "    " and resid 110  and name HN  ))
   (( segid "    " and resid 71   and name HD21))
      5.000     3.200     1.000 peak  2333 spectrum    1 weight  0.10000E+01 volume  0.51770E-03 ppm1      7.959 ppm2      7.445 CV     1
 ASSI { 2334}
   (( segid "    " and resid 110  and name HN  ))
   (( segid "    " and resid 109  and name HN  ))
      2.700     0.900     0.900 peak  2334 spectrum    1 weight  0.10000E+01 volume  0.11723E-01 ppm1      7.953 ppm2      8.879 CV     1
 ASSI { 2336}
   (( segid "    " and resid 110  and name HN  ))
   (( segid "    " and resid 111  and name HN  ))
      2.000     0.500     0.500 peak  2336 spectrum    1 weight  0.10000E+01 volume  0.24865E-01 ppm1      7.953 ppm2      7.632 CV     1
 ASSI { 2338}
   (( segid "    " and resid 110  and name HN  ))
   (( segid "    " and resid 108  and name HB  ))
      4.200     2.200     1.800 peak  2338 spectrum    1 weight  0.10000E+01 volume  0.83201E-02 ppm1      7.955 ppm2      4.661 CV     1
 ASSI { 2339}
   (( segid "    " and resid 110  and name HN  ))
   (( segid "    " and resid 110  and name HA  ))
      2.900     1.100     1.100 peak  2339 spectrum    1 weight  0.10000E+01 volume  0.87917E-02 ppm1      7.953 ppm2      4.230 CV     1
 ASSI { 2340}
   (( segid "    " and resid 110  and name HN  ))
   (( segid "    " and resid 109  and name HA  ))
      3.600     1.600     1.600 peak  2340 spectrum    1 weight  0.10000E+01 volume  0.82175E-02 ppm1      7.953 ppm2      4.028 CV     1
 ASSI { 2341}
   (( segid "    " and resid 110  and name HN  ))
   (( segid "    " and resid 110  and name HD2 ))
      4.500     2.500     1.500 peak  2341 spectrum    1 weight  0.10000E+01 volume  0.25200E-02 ppm1      7.952 ppm2      3.248 CV     1
 OR { 2341}
   (( segid "    " and resid 110  and name HN  ))
   (( segid "    " and resid 110  and name HD1 ))
 ASSI { 2343}
   (( segid "    " and resid 110  and name HN  ))
   (( segid "    " and resid 109  and name HG2 ))
      5.000     3.200     1.000 peak  2343 spectrum    1 weight  0.10000E+01 volume  0.33810E-02 ppm1      7.952 ppm2      2.288 CV     1
 ASSI { 2344}
   (( segid "    " and resid 110  and name HN  ))
   (( segid "    " and resid 109  and name HB2 ))
      2.300     0.700     0.700 peak  2344 spectrum    1 weight  0.10000E+01 volume  0.15793E-01 ppm1      7.951 ppm2      2.034 CV     1
 OR { 2344}
   (( segid "    " and resid 110  and name HN  ))
   (( segid "    " and resid 109  and name HB1 ))
 ASSI { 2345}
   (( segid "    " and resid 110  and name HN  ))
   (( segid "    " and resid 110  and name HG2 ))
      2.900     1.100     1.100 peak  2345 spectrum    1 weight  0.10000E+01 volume  0.12066E-01 ppm1      7.953 ppm2      1.777 CV     1
 OR { 2345}
   (( segid "    " and resid 110  and name HN  ))
   (( segid "    " and resid 110  and name HG1 ))
 ASSI { 2346}
   (( segid "    " and resid 110  and name HN  ))
   (( segid "    " and resid 110  and name HB2 ))
      2.400     0.700     0.700 peak  2346 spectrum    1 weight  0.10000E+01 volume  0.13003E-01 ppm1      7.953 ppm2      1.646 CV     1
 ASSI { 2349}
   (( segid "    " and resid 110  and name HN  ))
   (( segid "    " and resid 111  and name HB1 ))
      3.900     1.900     1.900 peak  2349 spectrum    1 weight  0.10000E+01 volume  0.65625E-02 ppm1      7.953 ppm2      0.922 CV     1
 ASSI { 2362}
   (( segid "    " and resid 100  and name HN  ))
   (( segid "    " and resid 99   and name HN  ))
      2.400     0.700     0.700 peak  2362 spectrum    1 weight  0.10000E+01 volume  0.97989E-02 ppm1      7.523 ppm2      9.588 CV     1
 ASSI { 2364}
   (( segid "    " and resid 100  and name HN  ))
   (  segid "    " and resid 4    and name HD% )
      3.800     1.800     1.800 peak  2364 spectrum    1 weight  0.10000E+01 volume  0.53891E-02 ppm1      7.521 ppm2      6.820 CV     1
 ASSI { 2365}
   (( segid "    " and resid 100  and name HN  ))
   (( segid "    " and resid 100  and name HA  ))
      2.600     0.900     0.900 peak  2365 spectrum    1 weight  0.10000E+01 volume  0.95950E-02 ppm1      7.523 ppm2      4.827 CV     1
 ASSI { 2366}
   (( segid "    " and resid 100  and name HN  ))
   (( segid "    " and resid 98   and name HA  ))
      4.400     2.400     1.600 peak  2366 spectrum    1 weight  0.10000E+01 volume  0.42874E-02 ppm1      7.523 ppm2      4.166 CV     1
 ASSI { 2368}
   (( segid "    " and resid 100  and name HN  ))
   (( segid "    " and resid 99   and name HB2 ))
      3.100     1.200     1.200 peak  2368 spectrum    1 weight  0.10000E+01 volume  0.89910E-02 ppm1      7.522 ppm2      2.291 CV     1
 ASSI { 2370}
   (( segid "    " and resid 100  and name HN  ))
   (( segid "    " and resid 100  and name HB1 ))
      2.900     1.100     1.100 peak  2370 spectrum    1 weight  0.10000E+01 volume  0.12392E-01 ppm1      7.522 ppm2      2.031 CV     1
 ASSI { 2371}
   (( segid "    " and resid 100  and name HN  ))
   (( segid "    " and resid 100  and name HB2 ))
      2.700     0.900     0.900 peak  2371 spectrum    1 weight  0.10000E+01 volume  0.84099E-02 ppm1      7.521 ppm2      1.791 CV     1
 ASSI { 2374}
   (( segid "    " and resid 100  and name HN  ))
   (( segid "    " and resid 98   and name HG11))
      3.700     3.700     2.300 peak  2374 spectrum    1 weight  0.10000E+01 volume  0.15129E-01 ppm1      7.525 ppm2      0.983 CV     1
 ASSI { 2379}
   (( segid "    " and resid 100  and name HN  ))
   (( segid "    " and resid 4    and name HA  ))
      5.000     3.200     1.000 peak  2379 spectrum    1 weight  0.10000E+01 volume  0.79149E-03 ppm1      7.528 ppm2      5.545 CV     1
 ASSI { 2381}
   (( segid "    " and resid 100  and name HN  ))
   (( segid "    " and resid 101  and name HN  ))
      4.500     2.500     1.500 peak  2381 spectrum    1 weight  0.10000E+01 volume  0.50892E-03 ppm1      7.522 ppm2      9.846 CV     1
 ASSI { 2385}
   (( segid "    " and resid 71   and name HD21))
   (( segid "    " and resid 71   and name HD22))
      2.100     0.600     0.600 peak  2385 spectrum    1 weight  0.10000E+01 volume  0.19662E-01 ppm1      7.451 ppm2      7.197 CV     1
 ASSI { 2390}
   (( segid "    " and resid 71   and name HD22))
   (( segid "    " and resid 71   and name HB1 ))
      4.600     2.600     1.400 peak  2390 spectrum    1 weight  0.10000E+01 volume  0.42732E-02 ppm1      7.203 ppm2      2.621 CV     1
 ASSI { 2398}
   (( segid "    " and resid 38   and name HN  ))
   (  segid "    " and resid 40   and name HD% )
      3.600     1.600     1.600 peak  2398 spectrum    1 weight  0.10000E+01 volume  0.60717E-02 ppm1      9.304 ppm2      7.035 CV     1
 ASSI { 2400}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 37   and name HB2 ))
      3.300     1.300     1.300 peak  2400 spectrum    1 weight  0.10000E+01 volume  0.75951E-02 ppm1      9.304 ppm2      5.119 CV     1
 ASSI { 2402}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 37   and name HA  ))
      3.000     1.100     1.100 peak  2402 spectrum    1 weight  0.10000E+01 volume  0.12518E-01 ppm1      9.301 ppm2      4.260 CV     1
 ASSI { 2407}
   (( segid "    " and resid 50   and name HE22))
   (( segid "    " and resid 50   and name HE21))
      2.000     0.500     0.500 peak  2407 spectrum    1 weight  0.10000E+01 volume  0.10940E-01 ppm1      8.300 ppm2      7.123 CV     1
 ASSI { 2408}
   (( segid "    " and resid 50   and name HE22))
   (( segid "    " and resid 50   and name HG2 ))
      3.800     1.800     1.800 peak  2408 spectrum    1 weight  0.10000E+01 volume  0.71332E-02 ppm1      8.302 ppm2      2.364 CV     1
 OR { 2408}
   (( segid "    " and resid 50   and name HE22))
   (( segid "    " and resid 50   and name HG1 ))
 ASSI { 2409}
   (( segid "    " and resid 50   and name HE22))
   (( segid "    " and resid 50   and name HB1 ))
      4.000     2.000     2.000 peak  2409 spectrum    1 weight  0.10000E+01 volume  0.90289E-02 ppm1      8.303 ppm2      2.009 CV     1
 OR { 2409}
   (( segid "    " and resid 50   and name HE22))
   (( segid "    " and resid 50   and name HB2 ))
 ASSI { 2410}
   (( segid "    " and resid 50   and name HE22))
   (( segid "    " and resid 91   and name HB1 ))
      6.000     5.100     0.000 peak  2410 spectrum    1 weight  0.10000E+01 volume  0.41852E-03 ppm1      8.297 ppm2      1.841 CV     1
 OR { 2410}
   (( segid "    " and resid 50   and name HE22))
   (( segid "    " and resid 91   and name HB2 ))
 ASSI { 2412}
   (( segid "    " and resid 71   and name HD21))
   (( segid "    " and resid 71   and name HB2 ))
      2.900     1.100     1.100 peak  2412 spectrum    1 weight  0.10000E+01 volume  0.49554E-02 ppm1      7.452 ppm2      3.089 CV     1
 ASSI { 2413}
   (( segid "    " and resid 71   and name HD21))
   (( segid "    " and resid 71   and name HB1 ))
      3.800     1.800     1.800 peak  2413 spectrum    1 weight  0.10000E+01 volume  0.50293E-02 ppm1      7.453 ppm2      2.622 CV     1
 ASSI { 2415}
   (( segid "    " and resid 71   and name HD22))
   (( segid "    " and resid 71   and name HB2 ))
      4.500     2.500     1.500 peak  2415 spectrum    1 weight  0.10000E+01 volume  0.34236E-02 ppm1      7.204 ppm2      3.105 CV     1
 ASSI { 2421}
   (( segid "    " and resid 50   and name HE21))
   (( segid "    " and resid 90   and name HA2 ))
      5.900     4.400     0.100 peak  2421 spectrum    1 weight  0.10000E+01 volume  0.40030E-03 ppm1      7.125 ppm2      4.321 CV     1
 ASSI { 2424}
   (( segid "    " and resid 50   and name HE21))
   (( segid "    " and resid 50   and name HG2 ))
      3.300     1.300     1.300 peak  2424 spectrum    1 weight  0.10000E+01 volume  0.26783E-02 ppm1      7.124 ppm2      2.355 CV     1
 OR { 2424}
   (( segid "    " and resid 50   and name HE21))
   (( segid "    " and resid 50   and name HG1 ))
 ASSI { 2425}
   (( segid "    " and resid 50   and name HE21))
   (( segid "    " and resid 50   and name HB1 ))
      3.600     1.600     1.600 peak  2425 spectrum    1 weight  0.10000E+01 volume  0.12462E-01 ppm1      7.123 ppm2      2.025 CV     1
 OR { 2425}
   (( segid "    " and resid 50   and name HE21))
   (( segid "    " and resid 50   and name HB2 ))
 ASSI { 2426}
   (( segid "    " and resid 50   and name HE21))
   (( segid "    " and resid 46   and name HA2 ))
      5.400     3.600     0.600 peak  2426 spectrum    1 weight  0.10000E+01 volume  0.73720E-03 ppm1      7.119 ppm2      3.664 CV     1
 ASSI { 2429}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 38   and name HB2 ))
      3.500     1.500     1.500 peak  2429 spectrum    1 weight  0.10000E+01 volume  0.28566E-02 ppm1      9.303 ppm2      3.528 CV     1
 ASSI { 2432}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 127  and name HG1 ))
      6.000     5.300     0.000 peak  2432 spectrum    1 weight  0.10000E+01 volume  0.28063E-03 ppm1      9.303 ppm2      1.564 CV     1
 ASSI { 2439}
   (( segid "    " and resid 145  and name HE22))
   (( segid "    " and resid 142  and name HA  ))
      4.100     2.100     1.900 peak  2439 spectrum    1 weight  0.10000E+01 volume  0.61714E-02 ppm1      7.592 ppm2      4.807 CV     1
 ASSI { 2441}
   (( segid "    " and resid 103  and name HD21))
   (( segid "    " and resid 138  and name HD1 ))
      6.000     5.900     0.000 peak  2441 spectrum    1 weight  0.10000E+01 volume  0.13520E-03 ppm1      7.583 ppm2      4.028 CV     1
 OR { 2441}
   (( segid "    " and resid 103  and name HD21))
   (( segid "    " and resid 138  and name HD2 ))
 ASSI { 2444}
   (( segid "    " and resid 145  and name HE22))
   (( segid "    " and resid 145  and name HG1 ))
      3.600     1.600     1.600 peak  2444 spectrum    1 weight  0.10000E+01 volume  0.10244E-01 ppm1      7.585 ppm2      2.477 CV     1
 OR { 2444}
   (( segid "    " and resid 145  and name HE22))
   (( segid "    " and resid 145  and name HG2 ))
 ASSI { 2446}
   (( segid "    " and resid 103  and name HD21))
   (( segid "    " and resid 104  and name HB1 ))
      5.300     3.400     0.700 peak  2446 spectrum    1 weight  0.10000E+01 volume  0.96883E-03 ppm1      7.586 ppm2      2.212 CV     1
 ASSI { 2447}
   (( segid "    " and resid 103  and name HD21))
   (( segid "    " and resid 138  and name HG1 ))
      5.600     4.000     0.400 peak  2447 spectrum    1 weight  0.10000E+01 volume  0.41002E-03 ppm1      7.584 ppm2      2.002 CV     1
 OR { 2447}
   (( segid "    " and resid 103  and name HD21))
   (( segid "    " and resid 138  and name HG2 ))
 ASSI { 2451}
   (( segid "    " and resid 145  and name HE21))
   (( segid "    " and resid 145  and name HE22))
      1.200     0.200     1.000 peak  2451 spectrum    1 weight  0.10000E+01 volume  0.11585E+00 ppm1      6.939 ppm2      7.583 CV     1
 ASSI { 2454}
   (( segid "    " and resid 145  and name HE21))
   (( segid "    " and resid 145  and name HG1 ))
      3.800     1.800     1.800 peak  2454 spectrum    1 weight  0.10000E+01 volume  0.32452E-02 ppm1      6.942 ppm2      2.471 CV     1
 OR { 2454}
   (( segid "    " and resid 145  and name HE21))
   (( segid "    " and resid 145  and name HG2 ))
 ASSI { 2460}
   (( segid "    " and resid 145  and name HE22))
   (( segid "    " and resid 145  and name HA  ))
      5.900     4.300     0.100 peak  2460 spectrum    1 weight  0.10000E+01 volume  0.96962E-03 ppm1      7.582 ppm2      4.225 CV     1
 ASSI { 2464}
   (( segid "    " and resid 103  and name HD21))
   (( segid "    " and resid 103  and name HB1 ))
      3.100     1.200     1.200 peak  2464 spectrum    1 weight  0.10000E+01 volume  0.10133E-01 ppm1      7.573 ppm2      2.997 CV     1
 ASSI { 2465}
   (( segid "    " and resid 103  and name HD21))
   (( segid "    " and resid 103  and name HB2 ))
      3.100     1.200     1.200 peak  2465 spectrum    1 weight  0.10000E+01 volume  0.96624E-02 ppm1      7.574 ppm2      2.686 CV     1
 ASSI { 2477}
   (( segid "    " and resid 103  and name HD22))
   (( segid "    " and resid 103  and name HD21))
      1.600     0.300     0.600 peak  2477 spectrum    1 weight  0.10000E+01 volume  0.95297E-01 ppm1      6.981 ppm2      7.570 CV     1
 ASSI { 2479}
   (( segid "    " and resid 103  and name HD22))
   (( segid "    " and resid 138  and name HA  ))
      5.000     3.200     1.000 peak  2479 spectrum    1 weight  0.10000E+01 volume  0.92203E-03 ppm1      6.979 ppm2      4.489 CV     1
 ASSI { 2480}
   (( segid "    " and resid 103  and name HD22))
   (( segid "    " and resid 103  and name HB1 ))
      3.900     1.900     1.900 peak  2480 spectrum    1 weight  0.10000E+01 volume  0.62542E-02 ppm1      6.980 ppm2      2.998 CV     1
 ASSI { 2481}
   (( segid "    " and resid 103  and name HD22))
   (( segid "    " and resid 103  and name HA  ))
      6.000     6.000     0.000 peak  2481 spectrum    1 weight  0.10000E+01 volume  0.46193E-03 ppm1      6.977 ppm2      5.168 CV     1
 ASSI { 2483}
   (( segid "    " and resid 123  and name HN  ))
   (( segid "    " and resid 125  and name HB2 ))
      6.000     5.800     0.000 peak  2483 spectrum    1 weight  0.10000E+01 volume  0.12781E-03 ppm1      6.944 ppm2      1.063 CV     1
 ASSI { 2489}
   (( segid "    " and resid 123  and name HN  ))
   (( segid "    " and resid 123  and name HA  ))
      2.800     1.000     1.000 peak  2489 spectrum    1 weight  0.10000E+01 volume  0.72008E-02 ppm1      6.938 ppm2      4.356 CV     1
 ASSI { 2490}
   (( segid "    " and resid 145  and name HE21))
   (( segid "    " and resid 143  and name HA  ))
      3.700     3.700     2.300 peak  2490 spectrum    1 weight  0.10000E+01 volume  0.68892E-02 ppm1      6.938 ppm2      4.118 CV     1
 ASSI { 2492}
   (( segid "    " and resid 123  and name HN  ))
   (( segid "    " and resid 123  and name HB1 ))
      3.600     1.600     1.600 peak  2492 spectrum    1 weight  0.10000E+01 volume  0.60960E-02 ppm1      6.939 ppm2      3.332 CV     1
 ASSI { 2493}
   (( segid "    " and resid 123  and name HN  ))
   (( segid "    " and resid 154  and name HE2 ))
      3.200     3.200     2.800 peak  2493 spectrum    1 weight  0.10000E+01 volume  0.94080E-02 ppm1      6.939 ppm2      2.833 CV     1
 OR { 2493}
   (( segid "    " and resid 123  and name HN  ))
   (( segid "    " and resid 154  and name HE1 ))
 ASSI { 2494}
   (( segid "    " and resid 123  and name HN  ))
   (( segid "    " and resid 124  and name HB2 ))
      4.500     2.500     1.500 peak  2494 spectrum    1 weight  0.10000E+01 volume  0.32087E-02 ppm1      6.936 ppm2      2.185 CV     1
 OR { 2494}
   (( segid "    " and resid 123  and name HN  ))
   (( segid "    " and resid 124  and name HB1 ))
 ASSI { 2495}
   (( segid "    " and resid 123  and name HN  ))
   (( segid "    " and resid 118  and name HB2 ))
      6.000     6.000     0.000 peak  2495 spectrum    1 weight  0.10000E+01 volume  0.43093E-03 ppm1      6.931 ppm2      1.999 CV     1
 OR { 2495}
   (( segid "    " and resid 123  and name HN  ))
   (( segid "    " and resid 118  and name HB1 ))
 ASSI { 2497}
   (( segid "    " and resid 145  and name HE21))
   (  segid "    " and resid 146  and name HG2%)
      4.500     2.500     1.500 peak  2497 spectrum    1 weight  0.10000E+01 volume  0.50277E-02 ppm1      6.939 ppm2      0.767 CV     1
 ASSI { 2498}
   (( segid "    " and resid 123  and name HN  ))
   (( segid "    " and resid 121  and name HB1 ))
      3.700     1.800     1.800 peak  2498 spectrum    1 weight  0.10000E+01 volume  0.60214E-03 ppm1      6.938 ppm2     -0.666 CV     1
 ASSI { 2500}
   (( segid "    " and resid 139  and name HN  ))
   (( segid "    " and resid 140  and name HN  ))
      2.600     0.800     0.800 peak  2500 spectrum    1 weight  0.10000E+01 volume  0.15322E-01 ppm1      7.539 ppm2      8.373 CV     1
 ASSI { 2501}
   (( segid "    " and resid 139  and name HN  ))
   (( segid "    " and resid 141  and name HN  ))
      4.500     2.500     1.500 peak  2501 spectrum    1 weight  0.10000E+01 volume  0.44032E-02 ppm1      7.540 ppm2      7.980 CV     1
 ASSI { 2502}
   (( segid "    " and resid 139  and name HN  ))
   (  segid "    " and resid 137  and name HD% )
      4.300     2.300     1.700 peak  2502 spectrum    1 weight  0.10000E+01 volume  0.54169E-02 ppm1      7.540 ppm2      7.345 CV     1
 ASSI { 2505}
   (( segid "    " and resid 139  and name HN  ))
   (( segid "    " and resid 138  and name HD2 ))
      3.100     1.200     1.200 peak  2505 spectrum    1 weight  0.10000E+01 volume  0.11173E-01 ppm1      7.539 ppm2      4.021 CV     1
 OR { 2505}
   (( segid "    " and resid 139  and name HN  ))
   (( segid "    " and resid 138  and name HD1 ))
 ASSI { 2506}
   (( segid "    " and resid 139  and name HN  ))
   (( segid "    " and resid 137  and name HB1 ))
      2.400     0.700     0.700 peak  2506 spectrum    1 weight  0.10000E+01 volume  0.16774E-01 ppm1      7.539 ppm2      3.261 CV     1
 ASSI { 2507}
   (( segid "    " and resid 139  and name HN  ))
   (( segid "    " and resid 139  and name HB2 ))
      2.800     1.000     1.000 peak  2507 spectrum    1 weight  0.10000E+01 volume  0.10229E-01 ppm1      7.539 ppm2      3.054 CV     1
 ASSI { 2508}
   (( segid "    " and resid 139  and name HN  ))
   (( segid "    " and resid 139  and name HB1 ))
      3.400     1.500     1.500 peak  2508 spectrum    1 weight  0.10000E+01 volume  0.13143E-01 ppm1      7.540 ppm2      2.615 CV     1
 ASSI { 2509}
   (( segid "    " and resid 139  and name HN  ))
   (( segid "    " and resid 138  and name HB1 ))
      3.800     1.800     1.800 peak  2509 spectrum    1 weight  0.10000E+01 volume  0.91685E-02 ppm1      7.542 ppm2      2.415 CV     1
 ASSI { 2510}
   (( segid "    " and resid 139  and name HN  ))
   (( segid "    " and resid 138  and name HG2 ))
      3.000     1.200     1.200 peak  2510 spectrum    1 weight  0.10000E+01 volume  0.10747E-01 ppm1      7.539 ppm2      1.997 CV     1
 OR { 2510}
   (( segid "    " and resid 139  and name HN  ))
   (( segid "    " and resid 138  and name HG1 ))
 ASSI { 2511}
   (( segid "    " and resid 139  and name HN  ))
   (( segid "    " and resid 138  and name HB2 ))
      2.700     0.900     0.900 peak  2511 spectrum    1 weight  0.10000E+01 volume  0.13797E-01 ppm1      7.539 ppm2      1.843 CV     1
 ASSI { 2512}
   (( segid "    " and resid 139  and name HN  ))
   (  segid "    " and resid 136  and name HG2%)
      3.400     3.400     2.600 peak  2512 spectrum    1 weight  0.10000E+01 volume  0.83326E-02 ppm1      7.541 ppm2      1.031 CV     1
 OR { 2512}
   (( segid "    " and resid 139  and name HN  ))
   (  segid "    " and resid 136  and name HG1%)
 ASSI { 2513}
   (( segid "    " and resid 139  and name HN  ))
   (( segid "    " and resid 137  and name HN  ))
      5.100     3.200     0.900 peak  2513 spectrum    1 weight  0.10000E+01 volume  0.16851E-02 ppm1      7.538 ppm2      9.225 CV     1
 ASSI { 2515}
   (( segid "    " and resid 139  and name HN  ))
   (( segid "    " and resid 137  and name HA  ))
      4.100     2.100     1.900 peak  2515 spectrum    1 weight  0.10000E+01 volume  0.50398E-02 ppm1      7.538 ppm2      4.314 CV     1
 ASSI { 2516}
   (( segid "    " and resid 139  and name HN  ))
   (( segid "    " and resid 140  and name HA2 ))
      4.300     2.300     1.700 peak  2516 spectrum    1 weight  0.10000E+01 volume  0.43660E-02 ppm1      7.538 ppm2      3.514 CV     1
 ASSI { 2517}
   (( segid "    " and resid 139  and name HN  ))
   (( segid "    " and resid 137  and name HB2 ))
      3.300     1.300     1.300 peak  2517 spectrum    1 weight  0.10000E+01 volume  0.85188E-02 ppm1      7.538 ppm2      3.367 CV     1
 ASSI { 2523}
   (( segid "    " and resid 79   and name HE21))
   (  segid "    " and resid 76   and name HG2%)
      3.900     1.900     1.900 peak  2523 spectrum    1 weight  0.10000E+01 volume  0.25212E-02 ppm1      6.980 ppm2      0.842 CV     1
 ASSI { 2527}
   (( segid "    " and resid 79   and name HE22))
   (( segid "    " and resid 76   and name HA  ))
      5.500     3.800     0.500 peak  2527 spectrum    1 weight  0.10000E+01 volume  0.61235E-03 ppm1      7.801 ppm2      3.585 CV     1
 ASSI { 2528}
   (( segid "    " and resid 79   and name HE22))
   (( segid "    " and resid 79   and name HG1 ))
      4.200     2.200     1.800 peak  2528 spectrum    1 weight  0.10000E+01 volume  0.43615E-02 ppm1      7.800 ppm2      2.582 CV     1
 ASSI { 2529}
   (( segid "    " and resid 79   and name HE22))
   (( segid "    " and resid 79   and name HB1 ))
      4.300     2.300     1.700 peak  2529 spectrum    1 weight  0.10000E+01 volume  0.46217E-02 ppm1      7.800 ppm2      2.291 CV     1
 ASSI { 2532}
   (( segid "    " and resid 79   and name HE22))
   (( segid "    " and resid 79   and name HA  ))
      3.000     3.000     3.000 peak  2532 spectrum    1 weight  0.10000E+01 volume  0.12629E-02 ppm1      7.795 ppm2      4.183 CV     1
 ASSI { 2533}
   (( segid "    " and resid 79   and name HE22))
   (( segid "    " and resid 76   and name HG11))
      6.000     4.500     0.000 peak  2533 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.794 ppm2      2.084 CV     1
 OR { 2533}
   (( segid "    " and resid 79   and name HE22))
   (( segid "    " and resid 76   and name HG12))
 ASSI { 2535}
   (( segid "    " and resid 79   and name HE21))
   (( segid "    " and resid 79   and name HE22))
      1.700     0.300     0.500 peak  2535 spectrum    1 weight  0.10000E+01 volume  0.86815E-01 ppm1      6.980 ppm2      7.796 CV     1
 ASSI { 2536}
   (( segid "    " and resid 79   and name HE21))
   (( segid "    " and resid 79   and name HA  ))
      6.000     6.000     0.000 peak  2536 spectrum    1 weight  0.10000E+01 volume  0.17346E-03 ppm1      6.982 ppm2      4.171 CV     1
 ASSI { 2537}
   (( segid "    " and resid 79   and name HE21))
   (( segid "    " and resid 76   and name HA  ))
      4.500     2.500     1.500 peak  2537 spectrum    1 weight  0.10000E+01 volume  0.59555E-03 ppm1      6.980 ppm2      3.588 CV     1
 ASSI { 2538}
   (( segid "    " and resid 79   and name HE21))
   (( segid "    " and resid 79   and name HB1 ))
      4.200     2.200     1.800 peak  2538 spectrum    1 weight  0.10000E+01 volume  0.19635E-02 ppm1      6.981 ppm2      2.281 CV     1
 ASSI { 2539}
   (( segid "    " and resid 79   and name HE21))
   (  segid "    " and resid 24   and name HB% )
      3.800     1.800     1.800 peak  2539 spectrum    1 weight  0.10000E+01 volume  0.45321E-02 ppm1      6.981 ppm2      1.565 CV     1
 ASSI { 2540}
   (( segid "    " and resid 79   and name HE21))
   (( segid "    " and resid 79   and name HG1 ))
      3.600     1.600     1.600 peak  2540 spectrum    1 weight  0.10000E+01 volume  0.16263E-02 ppm1      6.977 ppm2      2.575 CV     1
 ASSI { 2545}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 34   and name HN  ))
      2.500     0.800     0.800 peak  2545 spectrum    1 weight  0.10000E+01 volume  0.15688E-01 ppm1      7.319 ppm2      9.172 CV     1
 ASSI { 2547}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 59   and name HN  ))
      3.100     1.200     1.200 peak  2547 spectrum    1 weight  0.10000E+01 volume  0.95759E-02 ppm1      7.321 ppm2      8.529 CV     1
 ASSI { 2548}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 36   and name HN  ))
      4.000     2.000     2.000 peak  2548 spectrum    1 weight  0.10000E+01 volume  0.55956E-02 ppm1      7.318 ppm2      8.322 CV     1
 ASSI { 2550}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 58   and name HA  ))
      4.700     2.800     1.300 peak  2550 spectrum    1 weight  0.10000E+01 volume  0.31269E-02 ppm1      7.318 ppm2      5.017 CV     1
 ASSI { 2551}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 60   and name HA  ))
      3.800     1.800     1.800 peak  2551 spectrum    1 weight  0.10000E+01 volume  0.10100E-01 ppm1      7.322 ppm2      4.798 CV     1
 ASSI { 2552}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 35   and name HA  ))
      2.600     0.800     0.800 peak  2552 spectrum    1 weight  0.10000E+01 volume  0.18004E-01 ppm1      7.319 ppm2      4.617 CV     1
 ASSI { 2553}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 35   and name HB  ))
      3.700     1.700     1.700 peak  2553 spectrum    1 weight  0.10000E+01 volume  0.53726E-02 ppm1      7.319 ppm2      4.113 CV     1
 ASSI { 2556}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 34   and name HB2 ))
      3.200     1.300     1.300 peak  2556 spectrum    1 weight  0.10000E+01 volume  0.14646E-01 ppm1      7.320 ppm2      1.659 CV     1
 ASSI { 2557}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 34   and name HB1 ))
      2.100     0.500     0.500 peak  2557 spectrum    1 weight  0.10000E+01 volume  0.31531E-01 ppm1      7.319 ppm2      1.543 CV     1
 ASSI { 2560}
   (( segid "    " and resid 35   and name HN  ))
   (  segid "    " and resid 34   and name HD1%)
      2.900     1.100     1.100 peak  2560 spectrum    1 weight  0.10000E+01 volume  0.39015E-01 ppm1      7.320 ppm2      0.791 CV     1
 OR { 2560}
   (( segid "    " and resid 35   and name HN  ))
   (  segid "    " and resid 34   and name HD2%)
 ASSI { 2568}
   (( segid "    " and resid 120  and name HN  ))
   (( segid "    " and resid 124  and name HB2 ))
      5.900     4.300     0.100 peak  2568 spectrum    1 weight  0.10000E+01 volume  0.61050E-03 ppm1      7.429 ppm2      2.174 CV     1
 OR { 2568}
   (( segid "    " and resid 120  and name HN  ))
   (( segid "    " and resid 124  and name HB1 ))
 ASSI { 2575}
   (( segid "    " and resid 120  and name HN  ))
   (( segid "    " and resid 119  and name HB2 ))
      4.200     2.200     1.800 peak  2575 spectrum    1 weight  0.10000E+01 volume  0.23381E-02 ppm1      7.422 ppm2      1.685 CV     1
 ASSI { 2577}
   (( segid "    " and resid 120  and name HN  ))
   (( segid "    " and resid 125  and name HG  ))
      5.100     3.300     0.900 peak  2577 spectrum    1 weight  0.10000E+01 volume  0.68793E-03 ppm1      7.423 ppm2      0.330 CV     1
 ASSI { 2580}
   (( segid "    " and resid 120  and name HN  ))
   (( segid "    " and resid 120  and name HA  ))
      2.900     1.000     1.000 peak  2580 spectrum    1 weight  0.10000E+01 volume  0.10032E-01 ppm1      7.419 ppm2      5.017 CV     1
 ASSI { 2581}
   (( segid "    " and resid 120  and name HN  ))
   (( segid "    " and resid 119  and name HA  ))
      3.200     1.300     1.300 peak  2581 spectrum    1 weight  0.10000E+01 volume  0.61149E-02 ppm1      7.418 ppm2      3.808 CV     1
 ASSI { 2582}
   (( segid "    " and resid 120  and name HN  ))
   (( segid "    " and resid 120  and name HB2 ))
      3.200     1.300     1.300 peak  2582 spectrum    1 weight  0.10000E+01 volume  0.99004E-02 ppm1      7.417 ppm2      2.994 CV     1
 ASSI { 2583}
   (( segid "    " and resid 120  and name HN  ))
   (( segid "    " and resid 120  and name HB1 ))
      3.000     1.100     1.100 peak  2583 spectrum    1 weight  0.10000E+01 volume  0.10942E-01 ppm1      7.418 ppm2      2.511 CV     1
 ASSI { 2585}
   (( segid "    " and resid 120  and name HN  ))
   (( segid "    " and resid 119  and name HG2 ))
      3.100     1.200     1.200 peak  2585 spectrum    1 weight  0.10000E+01 volume  0.91490E-02 ppm1      7.418 ppm2      1.314 CV     1
 ASSI { 2588}
   (( segid "    " and resid 120  and name HN  ))
   (( segid "    " and resid 119  and name HG1 ))
      3.600     1.700     1.700 peak  2588 spectrum    1 weight  0.10000E+01 volume  0.16636E-02 ppm1      7.415 ppm2      0.528 CV     1
 ASSI { 2589}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 30   and name HN  ))
      2.600     0.900     0.900 peak  2589 spectrum    1 weight  0.10000E+01 volume  0.22325E-01 ppm1      7.268 ppm2      8.936 CV     1
 ASSI { 2590}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 63   and name HN  ))
      5.300     3.500     0.700 peak  2590 spectrum    1 weight  0.10000E+01 volume  0.77489E-03 ppm1      7.271 ppm2      8.252 CV     1
 ASSI { 2592}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 31   and name HA  ))
      2.500     0.800     0.800 peak  2592 spectrum    1 weight  0.10000E+01 volume  0.16117E-01 ppm1      7.269 ppm2      5.934 CV     1
 ASSI { 2593}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 32   and name HA  ))
      5.600     3.900     0.400 peak  2593 spectrum    1 weight  0.10000E+01 volume  0.45956E-03 ppm1      7.268 ppm2      4.917 CV     1
 ASSI { 2595}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 29   and name HA  ))
      3.200     1.300     1.300 peak  2595 spectrum    1 weight  0.10000E+01 volume  0.13649E-01 ppm1      7.270 ppm2      4.339 CV     1
 ASSI { 2596}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 30   and name HA  ))
      2.700     0.900     0.900 peak  2596 spectrum    1 weight  0.10000E+01 volume  0.22103E-01 ppm1      7.269 ppm2      3.914 CV     1
 ASSI { 2597}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 31   and name HB2 ))
      2.400     0.700     0.700 peak  2597 spectrum    1 weight  0.10000E+01 volume  0.26535E-01 ppm1      7.269 ppm2      3.596 CV     1
 OR { 2597}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 31   and name HB1 ))
 ASSI { 2598}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 32   and name HB2 ))
      5.400     3.600     0.600 peak  2598 spectrum    1 weight  0.10000E+01 volume  0.54792E-03 ppm1      7.267 ppm2      3.337 CV     1
 ASSI { 2600}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 30   and name HG1 ))
      3.600     1.600     1.600 peak  2600 spectrum    1 weight  0.10000E+01 volume  0.12490E-01 ppm1      7.270 ppm2      2.138 CV     1
 ASSI { 2601}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 30   and name HB1 ))
      3.800     1.800     1.800 peak  2601 spectrum    1 weight  0.10000E+01 volume  0.59723E-02 ppm1      7.267 ppm2      2.023 CV     1
 ASSI { 2609}
   (( segid "    " and resid 31   and name HN  ))
   (  segid "    " and resid 28   and name HG2%)
      3.200     3.200     2.800 peak  2609 spectrum    1 weight  0.10000E+01 volume  0.72162E-02 ppm1      7.269 ppm2      0.641 CV     1
 ASSI { 2611}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 62   and name HA  ))
      4.900     3.000     1.100 peak  2611 spectrum    1 weight  0.10000E+01 volume  0.25824E-02 ppm1      7.262 ppm2      5.515 CV     1
 ASSI { 2615}
   (( segid "    " and resid 19   and name HD21))
   (( segid "    " and resid 15   and name HG  ))
      3.700     1.800     1.800 peak  2615 spectrum    1 weight  0.10000E+01 volume  0.75952E-02 ppm1      7.396 ppm2      1.500 CV     1
 ASSI { 2618}
   (( segid "    " and resid 19   and name HD21))
   (( segid "    " and resid 19   and name HA  ))
      5.800     4.200     0.200 peak  2618 spectrum    1 weight  0.10000E+01 volume  0.48134E-03 ppm1      7.393 ppm2      4.582 CV     1
 ASSI { 2620}
   (( segid "    " and resid 19   and name HD21))
   (( segid "    " and resid 19   and name HB2 ))
      2.700     0.900     0.900 peak  2620 spectrum    1 weight  0.10000E+01 volume  0.54495E-02 ppm1      7.395 ppm2      2.849 CV     1
 ASSI { 2621}
   (( segid "    " and resid 19   and name HD21))
   (( segid "    " and resid 19   and name HB1 ))
      3.700     1.700     1.700 peak  2621 spectrum    1 weight  0.10000E+01 volume  0.53258E-02 ppm1      7.395 ppm2      2.685 CV     1
 ASSI { 2624}
   (( segid "    " and resid 19   and name HD22))
   (( segid "    " and resid 19   and name HD21))
      1.700     0.300     0.500 peak  2624 spectrum    1 weight  0.10000E+01 volume  0.41446E-01 ppm1      6.775 ppm2      7.391 CV     1
 ASSI { 2626}
   (( segid "    " and resid 19   and name HD22))
   (( segid "    " and resid 19   and name HA  ))
      5.500     3.800     0.500 peak  2626 spectrum    1 weight  0.10000E+01 volume  0.84909E-03 ppm1      6.781 ppm2      4.581 CV     1
 ASSI { 2627}
   (( segid "    " and resid 19   and name HD22))
   (( segid "    " and resid 16   and name HA  ))
      4.100     2.100     1.900 peak  2627 spectrum    1 weight  0.10000E+01 volume  0.28487E-02 ppm1      6.777 ppm2      4.103 CV     1
 ASSI { 2628}
   (( segid "    " and resid 19   and name HD22))
   (( segid "    " and resid 19   and name HB2 ))
      3.900     1.900     1.900 peak  2628 spectrum    1 weight  0.10000E+01 volume  0.56618E-02 ppm1      6.776 ppm2      2.851 CV     1
 ASSI { 2629}
   (( segid "    " and resid 19   and name HD22))
   (( segid "    " and resid 19   and name HB1 ))
      4.000     2.000     2.000 peak  2629 spectrum    1 weight  0.10000E+01 volume  0.75934E-02 ppm1      6.774 ppm2      2.688 CV     1
 ASSI { 2630}
   (( segid "    " and resid 19   and name HD22))
   (( segid "    " and resid 15   and name HG  ))
      2.400     0.700     0.700 peak  2630 spectrum    1 weight  0.10000E+01 volume  0.74771E-02 ppm1      6.774 ppm2      1.497 CV     1
 ASSI { 2632}
   (( segid "    " and resid 17   and name HE21))
   (( segid "    " and resid 17   and name HE22))
      2.200     0.600     0.600 peak  2632 spectrum    1 weight  0.10000E+01 volume  0.10733E-01 ppm1      7.710 ppm2      6.851 CV     1
 ASSI { 2633}
   (( segid "    " and resid 17   and name HE21))
   (( segid "    " and resid 17   and name HB1 ))
      5.300     3.600     0.700 peak  2633 spectrum    1 weight  0.10000E+01 volume  0.57255E-03 ppm1      7.711 ppm2      2.157 CV     1
 OR { 2633}
   (( segid "    " and resid 17   and name HE21))
   (( segid "    " and resid 17   and name HB2 ))
 ASSI { 2635}
   (( segid "    " and resid 17   and name HE22))
   (( segid "    " and resid 93   and name HB  ))
      5.300     3.500     0.700 peak  2635 spectrum    1 weight  0.10000E+01 volume  0.68927E-03 ppm1      6.856 ppm2      4.109 CV     1
 ASSI { 2636}
   (( segid "    " and resid 17   and name HE22))
   (( segid "    " and resid 17   and name HA  ))
      4.800     2.800     1.200 peak  2636 spectrum    1 weight  0.10000E+01 volume  0.19001E-02 ppm1      6.855 ppm2      3.987 CV     1
 ASSI { 2637}
   (( segid "    " and resid 17   and name HE22))
   (( segid "    " and resid 9    and name HB2 ))
      6.000     4.500     0.000 peak  2637 spectrum    1 weight  0.10000E+01 volume  0.39586E-03 ppm1      6.854 ppm2      3.880 CV     1
 ASSI { 2638}
   (( segid "    " and resid 17   and name HE22))
   (( segid "    " and resid 17   and name HG1 ))
      4.100     2.100     1.900 peak  2638 spectrum    1 weight  0.10000E+01 volume  0.66374E-02 ppm1      6.856 ppm2      2.627 CV     1
 OR { 2638}
   (( segid "    " and resid 17   and name HE22))
   (( segid "    " and resid 17   and name HG2 ))
 ASSI { 2639}
   (( segid "    " and resid 17   and name HE22))
   (  segid "    " and resid 93   and name HG2%)
      3.400     1.500     1.500 peak  2639 spectrum    1 weight  0.10000E+01 volume  0.11403E-01 ppm1      6.855 ppm2      1.230 CV     1
 ASSI { 2640}
   (( segid "    " and resid 74   and name HE21))
   (( segid "    " and resid 74   and name HE22))
      2.400     0.700     0.700 peak  2640 spectrum    1 weight  0.10000E+01 volume  0.94085E-02 ppm1      8.219 ppm2      7.092 CV     1
 ASSI { 2641}
   (( segid "    " and resid 74   and name HE21))
   (( segid "    " and resid 95   and name HA  ))
      6.000     5.100     0.000 peak  2641 spectrum    1 weight  0.10000E+01 volume  0.27499E-03 ppm1      8.218 ppm2      5.165 CV     1
 ASSI { 2644}
   (( segid "    " and resid 17   and name HE21))
   (( segid "    " and resid 17   and name HG1 ))
      2.900     1.100     1.100 peak  2644 spectrum    1 weight  0.10000E+01 volume  0.51201E-02 ppm1      7.712 ppm2      2.623 CV     1
 OR { 2644}
   (( segid "    " and resid 17   and name HE21))
   (( segid "    " and resid 17   and name HG2 ))
 ASSI { 2649}
   (( segid "    " and resid 74   and name HE22))
   (( segid "    " and resid 74   and name HA  ))
      6.000     5.800     0.000 peak  2649 spectrum    1 weight  0.10000E+01 volume  0.14024E-03 ppm1      7.099 ppm2      4.254 CV     1
 ASSI { 2651}
   (( segid "    " and resid 74   and name HE22))
   (( segid "    " and resid 95   and name HA  ))
      4.600     2.700     1.400 peak  2651 spectrum    1 weight  0.10000E+01 volume  0.89492E-03 ppm1      7.091 ppm2      5.189 CV     1
 ASSI { 2653}
   (( segid "    " and resid 74   and name HE22))
   (( segid "    " and resid 74   and name HG1 ))
      5.400     3.600     0.600 peak  2653 spectrum    1 weight  0.10000E+01 volume  0.11089E-02 ppm1      7.090 ppm2      2.958 CV     1
 ASSI { 2654}
   (( segid "    " and resid 74   and name HE22))
   (( segid "    " and resid 74   and name HG2 ))
      6.000     4.700     0.000 peak  2654 spectrum    1 weight  0.10000E+01 volume  0.48325E-03 ppm1      7.093 ppm2      2.431 CV     1
 ASSI { 2655}
   (( segid "    " and resid 74   and name HE22))
   (  segid "    " and resid 70   and name HD1%)
      4.100     2.100     1.900 peak  2655 spectrum    1 weight  0.10000E+01 volume  0.33570E-02 ppm1      7.093 ppm2      0.720 CV     1
 ASSI { 2658}
   (( segid "    " and resid 17   and name HE22))
   (( segid "    " and resid 17   and name HB1 ))
      6.000     6.000     0.000 peak  2658 spectrum    1 weight  0.10000E+01 volume  0.15092E-03 ppm1      6.855 ppm2      2.135 CV     1
 OR { 2658}
   (( segid "    " and resid 17   and name HE22))
   (( segid "    " and resid 17   and name HB2 ))
 ASSI { 2665}
   (( segid "    " and resid 140  and name HN  ))
   (( segid "    " and resid 137  and name HN  ))
      4.000     2.000     2.000 peak  2665 spectrum    1 weight  0.10000E+01 volume  0.26390E-02 ppm1      8.376 ppm2      9.228 CV     1
 ASSI { 2667}
   (( segid "    " and resid 140  and name HN  ))
   (( segid "    " and resid 141  and name HN  ))
      2.200     0.600     0.600 peak  2667 spectrum    1 weight  0.10000E+01 volume  0.16301E-01 ppm1      8.376 ppm2      7.981 CV     1
 ASSI { 2669}
   (( segid "    " and resid 140  and name HN  ))
   (  segid "    " and resid 137  and name HD% )
      5.500     3.700     0.500 peak  2669 spectrum    1 weight  0.10000E+01 volume  0.15886E-02 ppm1      8.377 ppm2      7.341 CV     1
 ASSI { 2670}
   (( segid "    " and resid 140  and name HN  ))
   (( segid "    " and resid 140  and name HA1 ))
      2.600     0.800     0.800 peak  2670 spectrum    1 weight  0.10000E+01 volume  0.28719E-01 ppm1      8.375 ppm2      4.405 CV     1
 ASSI { 2672}
   (( segid "    " and resid 140  and name HN  ))
   (( segid "    " and resid 138  and name HD2 ))
      3.200     3.200     2.800 peak  2672 spectrum    1 weight  0.10000E+01 volume  0.87368E-03 ppm1      8.375 ppm2      4.021 CV     1
 OR { 2672}
   (( segid "    " and resid 140  and name HN  ))
   (( segid "    " and resid 138  and name HD1 ))
 ASSI { 2673}
   (( segid "    " and resid 140  and name HN  ))
   (( segid "    " and resid 140  and name HA2 ))
      2.500     0.800     0.800 peak  2673 spectrum    1 weight  0.10000E+01 volume  0.25541E-01 ppm1      8.375 ppm2      3.526 CV     1
 ASSI { 2675}
   (( segid "    " and resid 140  and name HN  ))
   (( segid "    " and resid 139  and name HB2 ))
      3.400     1.400     1.400 peak  2675 spectrum    1 weight  0.10000E+01 volume  0.36969E-02 ppm1      8.375 ppm2      3.053 CV     1
 ASSI { 2676}
   (( segid "    " and resid 140  and name HN  ))
   (( segid "    " and resid 139  and name HB1 ))
      3.900     1.900     1.900 peak  2676 spectrum    1 weight  0.10000E+01 volume  0.34186E-02 ppm1      8.375 ppm2      2.620 CV     1
 ASSI { 2679}
   (( segid "    " and resid 140  and name HN  ))
   (( segid "    " and resid 141  and name HB2 ))
      4.300     2.300     1.700 peak  2679 spectrum    1 weight  0.10000E+01 volume  0.41447E-02 ppm1      8.376 ppm2      1.860 CV     1
 ASSI { 2681}
   (( segid "    " and resid 140  and name HN  ))
   (  segid "    " and resid 136  and name HG2%)
      3.000     1.100     1.100 peak  2681 spectrum    1 weight  0.10000E+01 volume  0.14462E-01 ppm1      8.374 ppm2      1.025 CV     1
 OR { 2681}
   (( segid "    " and resid 140  and name HN  ))
   (  segid "    " and resid 136  and name HG1%)
 ASSI { 2684}
   (( segid "    " and resid 10   and name HD21))
   (( segid "    " and resid 10   and name HD22))
      3.300     3.300     2.700 peak  2684 spectrum    1 weight  0.10000E+01 volume  0.59966E-03 ppm1      6.862 ppm2      6.461 CV     1
 ASSI { 2685}
   (( segid "    " and resid 10   and name HD21))
   (( segid "    " and resid 10   and name HB2 ))
      5.700     4.100     0.300 peak  2685 spectrum    1 weight  0.10000E+01 volume  0.12889E-03 ppm1      6.865 ppm2      2.372 CV     1
 ASSI { 2687}
   (( segid "    " and resid 10   and name HD22))
   (( segid "    " and resid 48   and name HB2 ))
      3.700     3.700     2.300 peak  2687 spectrum    1 weight  0.10000E+01 volume  0.36139E-02 ppm1      6.476 ppm2      2.054 CV     1
 ASSI { 2689}
   (( segid "    " and resid 10   and name HD21))
   (( segid "    " and resid 10   and name HA  ))
      6.000     6.000     0.000 peak  2689 spectrum    1 weight  0.10000E+01 volume  0.14884E-03 ppm1      6.871 ppm2      4.688 CV     1
 ASSI { 2690}
   (( segid "    " and resid 10   and name HD21))
   (( segid "    " and resid 91   and name HG2 ))
      3.300     1.400     1.400 peak  2690 spectrum    1 weight  0.10000E+01 volume  0.42920E-02 ppm1      6.862 ppm2      2.067 CV     1
 OR { 2690}
   (( segid "    " and resid 10   and name HD21))
   (( segid "    " and resid 91   and name HG1 ))
 ASSI { 2695}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 12   and name HN  ))
      3.100     1.200     1.200 peak  2695 spectrum    1 weight  0.10000E+01 volume  0.68085E-02 ppm1      8.706 ppm2      8.147 CV     1
 ASSI { 2696}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 13   and name HB2 ))
      3.700     1.700     1.700 peak  2696 spectrum    1 weight  0.10000E+01 volume  0.51601E-02 ppm1      8.706 ppm2      4.428 CV     1
 ASSI { 2697}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 13   and name HA  ))
      2.400     0.700     0.700 peak  2697 spectrum    1 weight  0.10000E+01 volume  0.19794E-01 ppm1      8.705 ppm2      4.084 CV     1
 ASSI { 2698}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 12   and name HA  ))
      2.900     1.000     1.000 peak  2698 spectrum    1 weight  0.10000E+01 volume  0.13240E-01 ppm1      8.706 ppm2      3.876 CV     1
 ASSI { 2699}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 14   and name HD2 ))
      4.100     2.100     1.900 peak  2699 spectrum    1 weight  0.10000E+01 volume  0.70833E-02 ppm1      8.706 ppm2      3.710 CV     1
 ASSI { 2703}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 14   and name HG1 ))
      6.000     6.000     0.000 peak  2703 spectrum    1 weight  0.10000E+01 volume  0.41677E-03 ppm1      8.702 ppm2      1.440 CV     1
 ASSI { 2704}
   (( segid "    " and resid 13   and name HN  ))
   (  segid "    " and resid 12   and name HB% )
      3.800     1.800     1.800 peak  2704 spectrum    1 weight  0.10000E+01 volume  0.82893E-02 ppm1      8.706 ppm2      1.237 CV     1
 ASSI { 2711}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 80   and name HB1 ))
      4.000     2.000     2.000 peak  2711 spectrum    1 weight  0.10000E+01 volume  0.24037E-02 ppm1      7.933 ppm2      2.866 CV     1
 ASSI { 2714}
   (( segid "    " and resid 80   and name HE22))
   (( segid "    " and resid 80   and name HE21))
      2.200     0.600     0.600 peak  2714 spectrum    1 weight  0.10000E+01 volume  0.91590E-02 ppm1      7.884 ppm2      7.446 CV     1
 ASSI { 2715}
   (( segid "    " and resid 80   and name HE22))
   (( segid "    " and resid 19   and name HB2 ))
      2.400     2.400     3.600 peak  2715 spectrum    1 weight  0.10000E+01 volume  0.43894E-02 ppm1      7.883 ppm2      2.860 CV     1
 ASSI { 2717}
   (( segid "    " and resid 80   and name HE22))
   (  segid "    " and resid 20   and name HB% )
      3.200     1.200     1.200 peak  2717 spectrum    1 weight  0.10000E+01 volume  0.54454E-02 ppm1      7.887 ppm2      1.468 CV     1
 ASSI { 2719}
   (( segid "    " and resid 80   and name HE21))
   (( segid "    " and resid 21   and name HN  ))
      4.300     2.400     1.700 peak  2719 spectrum    1 weight  0.10000E+01 volume  0.10067E-02 ppm1      7.457 ppm2      8.478 CV     1
 ASSI { 2722}
   (( segid "    " and resid 80   and name HE21))
   (( segid "    " and resid 80   and name HA  ))
      5.700     4.100     0.300 peak  2722 spectrum    1 weight  0.10000E+01 volume  0.52060E-03 ppm1      7.453 ppm2      4.534 CV     1
 ASSI { 2723}
   (( segid "    " and resid 80   and name HE21))
   (( segid "    " and resid 21   and name HA  ))
      4.400     2.400     1.600 peak  2723 spectrum    1 weight  0.10000E+01 volume  0.74758E-03 ppm1      7.450 ppm2      4.126 CV     1
 ASSI { 2724}
   (( segid "    " and resid 80   and name HE21))
   (( segid "    " and resid 17   and name HA  ))
      2.900     1.100     1.100 peak  2724 spectrum    1 weight  0.10000E+01 volume  0.56823E-02 ppm1      7.453 ppm2      3.987 CV     1
 ASSI { 2725}
   (( segid "    " and resid 80   and name HE21))
   (( segid "    " and resid 80   and name HB1 ))
      4.100     2.100     1.900 peak  2725 spectrum    1 weight  0.10000E+01 volume  0.28251E-02 ppm1      7.451 ppm2      2.866 CV     1
 ASSI { 2726}
   (( segid "    " and resid 80   and name HE21))
   (( segid "    " and resid 80   and name HG1 ))
      5.400     3.700     0.600 peak  2726 spectrum    1 weight  0.10000E+01 volume  0.14275E-03 ppm1      7.452 ppm2      2.504 CV     1
 ASSI { 2727}
   (( segid "    " and resid 80   and name HE21))
   (( segid "    " and resid 16   and name HB2 ))
      2.100     2.100     3.900 peak  2727 spectrum    1 weight  0.10000E+01 volume  0.10339E-01 ppm1      7.454 ppm2      2.208 CV     1
 ASSI { 2728}
   (( segid "    " and resid 80   and name HE21))
   (( segid "    " and resid 80   and name HB2 ))
      3.400     1.500     1.500 peak  2728 spectrum    1 weight  0.10000E+01 volume  0.74471E-02 ppm1      7.453 ppm2      1.766 CV     1
 ASSI { 2729}
   (( segid "    " and resid 80   and name HE21))
   (  segid "    " and resid 20   and name HB% )
      2.900     1.000     1.000 peak  2729 spectrum    1 weight  0.10000E+01 volume  0.14393E-01 ppm1      7.453 ppm2      1.474 CV     1
 ASSI { 2732}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 80   and name HA  ))
      3.400     1.400     1.400 peak  2732 spectrum    1 weight  0.10000E+01 volume  0.66901E-02 ppm1      7.930 ppm2      4.532 CV     1
 ASSI { 2733}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 81   and name HA2 ))
      2.300     0.700     0.700 peak  2733 spectrum    1 weight  0.10000E+01 volume  0.28025E-01 ppm1      7.930 ppm2      4.134 CV     1
 ASSI { 2734}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 81   and name HA1 ))
      2.900     1.100     1.100 peak  2734 spectrum    1 weight  0.10000E+01 volume  0.22294E-01 ppm1      7.929 ppm2      3.827 CV     1
 ASSI { 2735}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 80   and name HB2 ))
      3.700     1.700     1.700 peak  2735 spectrum    1 weight  0.10000E+01 volume  0.62769E-02 ppm1      7.931 ppm2      1.786 CV     1
 ASSI { 2736}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 79   and name HN  ))
      4.200     2.200     1.800 peak  2736 spectrum    1 weight  0.10000E+01 volume  0.22213E-02 ppm1      7.928 ppm2      8.763 CV     1
 ASSI { 2740}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 80   and name HG1 ))
      4.500     2.500     1.500 peak  2740 spectrum    1 weight  0.10000E+01 volume  0.36406E-02 ppm1      7.928 ppm2      2.510 CV     1
 ASSI { 2741}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 80   and name HG2 ))
      4.000     2.000     2.000 peak  2741 spectrum    1 weight  0.10000E+01 volume  0.48072E-02 ppm1      7.928 ppm2      2.256 CV     1
 ASSI { 2748}
   (( segid "    " and resid 131  and name HN  ))
   (( segid "    " and resid 128  and name HN  ))
      3.000     3.000     3.000 peak  2748 spectrum    1 weight  0.10000E+01 volume  0.14034E-02 ppm1      6.932 ppm2      6.574 CV     1
 ASSI { 2749}
   (( segid "    " and resid 131  and name HN  ))
   (( segid "    " and resid 131  and name HA  ))
      2.900     1.100     1.100 peak  2749 spectrum    1 weight  0.10000E+01 volume  0.84956E-02 ppm1      6.933 ppm2      4.498 CV     1
 ASSI { 2750}
   (( segid "    " and resid 131  and name HN  ))
   (( segid "    " and resid 37   and name HA  ))
      6.000     5.700     0.000 peak  2750 spectrum    1 weight  0.10000E+01 volume  0.14744E-03 ppm1      6.935 ppm2      4.260 CV     1
 ASSI { 2751}
   (( segid "    " and resid 131  and name HN  ))
   (( segid "    " and resid 37   and name HB1 ))
      5.200     3.400     0.800 peak  2751 spectrum    1 weight  0.10000E+01 volume  0.78937E-03 ppm1      6.934 ppm2      4.096 CV     1
 ASSI { 2752}
   (( segid "    " and resid 131  and name HN  ))
   (( segid "    " and resid 128  and name HA  ))
      2.900     1.100     1.100 peak  2752 spectrum    1 weight  0.10000E+01 volume  0.82999E-02 ppm1      6.933 ppm2      3.857 CV     1
 ASSI { 2753}
   (( segid "    " and resid 131  and name HN  ))
   (( segid "    " and resid 130  and name HB2 ))
      3.500     1.600     1.600 peak  2753 spectrum    1 weight  0.10000E+01 volume  0.45365E-02 ppm1      6.932 ppm2      2.287 CV     1
 ASSI { 2755}
   (( segid "    " and resid 131  and name HN  ))
   (( segid "    " and resid 131  and name HB  ))
      3.500     1.600     1.600 peak  2755 spectrum    1 weight  0.10000E+01 volume  0.77389E-02 ppm1      6.933 ppm2      2.149 CV     1
 ASSI { 2756}
   (( segid "    " and resid 131  and name HN  ))
   (( segid "    " and resid 131  and name HG12))
      2.600     0.800     0.800 peak  2756 spectrum    1 weight  0.10000E+01 volume  0.11490E-01 ppm1      6.933 ppm2      1.657 CV     1
 OR { 2756}
   (( segid "    " and resid 131  and name HN  ))
   (( segid "    " and resid 131  and name HG11))
 ASSI { 2757}
   (( segid "    " and resid 131  and name HN  ))
   (( segid "    " and resid 133  and name HB1 ))
      3.600     3.600     2.400 peak  2757 spectrum    1 weight  0.10000E+01 volume  0.12075E-01 ppm1      6.934 ppm2      1.477 CV     1
 ASSI { 2759}
   (( segid "    " and resid 131  and name HN  ))
   (  segid "    " and resid 132  and name HB% )
      4.300     2.300     1.700 peak  2759 spectrum    1 weight  0.10000E+01 volume  0.49529E-02 ppm1      6.932 ppm2      1.005 CV     1
 ASSI { 2762}
   (( segid "    " and resid 131  and name HN  ))
   (( segid "    " and resid 128  and name HG  ))
      4.600     2.600     1.400 peak  2762 spectrum    1 weight  0.10000E+01 volume  0.26618E-02 ppm1      6.935 ppm2      0.309 CV     1
 ASSI { 2763}
   (( segid "    " and resid 131  and name HN  ))
   (( segid "    " and resid 129  and name HN  ))
      6.000     4.600     0.000 peak  2763 spectrum    1 weight  0.10000E+01 volume  0.42193E-03 ppm1      6.928 ppm2      8.650 CV     1
 ASSI { 2764}
   (( segid "    " and resid 131  and name HN  ))
   (( segid "    " and resid 132  and name HA  ))
      5.800     4.200     0.200 peak  2764 spectrum    1 weight  0.10000E+01 volume  0.88836E-03 ppm1      6.931 ppm2      4.770 CV     1
 ASSI { 2765}
   (( segid "    " and resid 131  and name HN  ))
   (( segid "    " and resid 133  and name HD2 ))
      6.000     4.900     0.000 peak  2765 spectrum    1 weight  0.10000E+01 volume  0.94145E-03 ppm1      6.929 ppm2      3.128 CV     1
 ASSI { 2766}
   (( segid "    " and resid 131  and name HN  ))
   (( segid "    " and resid 130  and name HB1 ))
      3.300     1.400     1.400 peak  2766 spectrum    1 weight  0.10000E+01 volume  0.40832E-02 ppm1      6.932 ppm2      2.643 CV     1
 ASSI { 2770}
   (( segid "    " and resid 90   and name HN  ))
   (( segid "    " and resid 87   and name HG1 ))
      2.700     2.700     3.300 peak  2770 spectrum    1 weight  0.10000E+01 volume  0.22249E-02 ppm1      7.892 ppm2      2.333 CV     1
 OR { 2770}
   (( segid "    " and resid 90   and name HN  ))
   (( segid "    " and resid 87   and name HG2 ))
 ASSI { 2772}
   (( segid "    " and resid 90   and name HN  ))
   (( segid "    " and resid 88   and name HA  ))
      4.400     2.500     1.600 peak  2772 spectrum    1 weight  0.10000E+01 volume  0.38725E-02 ppm1      7.884 ppm2      4.073 CV     1
 ASSI { 2773}
   (( segid "    " and resid 90   and name HN  ))
   (( segid "    " and resid 90   and name HA1 ))
      2.400     0.700     0.700 peak  2773 spectrum    1 weight  0.10000E+01 volume  0.11970E-01 ppm1      7.887 ppm2      3.918 CV     1
 ASSI { 2775}
   (( segid "    " and resid 90   and name HN  ))
   (( segid "    " and resid 47   and name HG2 ))
      3.800     1.900     1.900 peak  2775 spectrum    1 weight  0.10000E+01 volume  0.34710E-02 ppm1      7.885 ppm2      2.004 CV     1
 ASSI { 2777}
   (( segid "    " and resid 90   and name HN  ))
   (( segid "    " and resid 91   and name HD2 ))
      4.500     2.500     1.500 peak  2777 spectrum    1 weight  0.10000E+01 volume  0.48858E-02 ppm1      7.890 ppm2      3.512 CV     1
 ASSI { 2778}
   (( segid "    " and resid 90   and name HN  ))
   (( segid "    " and resid 89   and name HN  ))
      2.900     1.100     1.100 peak  2778 spectrum    1 weight  0.10000E+01 volume  0.40841E-02 ppm1      7.884 ppm2      9.345 CV     1
 ASSI { 2779}
   (( segid "    " and resid 90   and name HN  ))
   (( segid "    " and resid 89   and name HE3 ))
      5.900     4.300     0.100 peak  2779 spectrum    1 weight  0.10000E+01 volume  0.42452E-03 ppm1      7.884 ppm2      7.600 CV     1
 ASSI { 2784}
   (( segid "    " and resid 90   and name HN  ))
   (( segid "    " and resid 90   and name HA2 ))
      2.900     1.000     1.000 peak  2784 spectrum    1 weight  0.10000E+01 volume  0.10571E-01 ppm1      7.886 ppm2      4.327 CV     1
 ASSI { 2786}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 26   and name HA2 ))
      2.700     0.900     0.900 peak  2786 spectrum    1 weight  0.10000E+01 volume  0.19466E-01 ppm1      7.504 ppm2      3.973 CV     1
 ASSI { 2787}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 27   and name HB1 ))
      5.100     3.200     0.900 peak  2787 spectrum    1 weight  0.10000E+01 volume  0.22195E-02 ppm1      7.503 ppm2      2.587 CV     1
 ASSI { 2791}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 24   and name HN  ))
      4.800     2.900     1.200 peak  2791 spectrum    1 weight  0.10000E+01 volume  0.92235E-03 ppm1      7.504 ppm2      7.925 CV     1
 ASSI { 2795}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 28   and name HN  ))
      4.700     2.800     1.300 peak  2795 spectrum    1 weight  0.10000E+01 volume  0.25535E-02 ppm1      7.503 ppm2      7.157 CV     1
 ASSI { 2798}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 26   and name HA1 ))
      2.100     0.500     0.500 peak  2798 spectrum    1 weight  0.10000E+01 volume  0.46996E-01 ppm1      7.503 ppm2      3.886 CV     1
 ASSI { 2799}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 25   and name HB2 ))
      2.800     1.000     1.000 peak  2799 spectrum    1 weight  0.10000E+01 volume  0.83567E-02 ppm1      7.502 ppm2      2.123 CV     1
 ASSI { 2801}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 23   and name HD1 ))
      4.300     2.300     1.700 peak  2801 spectrum    1 weight  0.10000E+01 volume  0.14650E-03 ppm1      7.503 ppm2      1.738 CV     1
 ASSI { 2802}
   (( segid "    " and resid 26   and name HN  ))
   (  segid "    " and resid 24   and name HB% )
      3.700     1.700     1.700 peak  2802 spectrum    1 weight  0.10000E+01 volume  0.71615E-02 ppm1      7.503 ppm2      1.570 CV     1
 ASSI { 2803}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 25   and name HB1 ))
      3.800     1.800     1.800 peak  2803 spectrum    1 weight  0.10000E+01 volume  0.61865E-02 ppm1      7.503 ppm2      1.187 CV     1
 ASSI { 2804}
   (( segid "    " and resid 26   and name HN  ))
   (  segid "    " and resid 25   and name HD2%)
      3.600     1.700     1.700 peak  2804 spectrum    1 weight  0.10000E+01 volume  0.21703E-01 ppm1      7.502 ppm2      0.870 CV     1
 OR { 2804}
   (( segid "    " and resid 26   and name HN  ))
   (  segid "    " and resid 25   and name HD1%)
 ASSI { 2808}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 14   and name HB1 ))
      4.600     2.700     1.400 peak  2808 spectrum    1 weight  0.10000E+01 volume  0.26766E-02 ppm1      8.173 ppm2      1.875 CV     1
 ASSI { 2809}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 26   and name HN  ))
      2.500     0.800     0.800 peak  2809 spectrum    1 weight  0.10000E+01 volume  0.12883E-01 ppm1      9.347 ppm2      7.491 CV     1
 ASSI { 2814}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 14   and name HA  ))
      3.300     1.400     1.400 peak  2814 spectrum    1 weight  0.10000E+01 volume  0.11143E-01 ppm1      8.557 ppm2      4.329 CV     1
 ASSI { 2815}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 82   and name HA  ))
      3.200     1.300     1.300 peak  2815 spectrum    1 weight  0.10000E+01 volume  0.55083E-02 ppm1      8.211 ppm2      4.378 CV     1
 ASSI { 2816}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 40   and name HB1 ))
      4.100     2.100     1.900 peak  2816 spectrum    1 weight  0.10000E+01 volume  0.34065E-02 ppm1      9.403 ppm2      2.712 CV     1
 ASSI { 2817}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 55   and name HB2 ))
      3.600     1.600     1.600 peak  2817 spectrum    1 weight  0.10000E+01 volume  0.51793E-02 ppm1      9.399 ppm2      3.348 CV     1
 ASSI {    1}
   (( segid "    " and resid 37   and name HB2 ))
   (( segid "    " and resid 37   and name HA  ))
      6.000     4.500     0.000 peak     1 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.143 ppm2      4.260 CV     1
 ASSI {    2}
   (( segid "    " and resid 37   and name HB2 ))
   (( segid "    " and resid 37   and name HN  ))
      6.000     4.500     0.000 peak     2 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.132 ppm2      9.142 CV     1
 ASSI {    3}
   (( segid "    " and resid 37   and name HB2 ))
   (  segid "    " and resid 40   and name HD% )
      6.000     4.500     0.000 peak     3 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.134 ppm2      7.043 CV     1
 ASSI {    4}
   (( segid "    " and resid 37   and name HB2 ))
   (( segid "    " and resid 37   and name HB1 ))
      6.000     4.500     0.000 peak     4 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.135 ppm2      4.080 CV     1
 ASSI {    7}
   (( segid "    " and resid 37   and name HB2 ))
   (  segid "    " and resid 131  and name HG2%)
      6.000     4.500     0.000 peak     7 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.122 ppm2      0.858 CV     1
 ASSI {   17}
   (( segid "    " and resid 112  and name HA  ))
   (( segid "    " and resid 107  and name HA  ))
      6.000     4.500     0.000 peak    17 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.254 ppm2      5.523 CV     1
 ASSI {   19}
   (( segid "    " and resid 112  and name HA  ))
   (( segid "    " and resid 112  and name HB  ))
      6.000     4.500     0.000 peak    19 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.249 ppm2      4.370 CV     1
 ASSI {   20}
   (( segid "    " and resid 112  and name HA  ))
   (( segid "    " and resid 113  and name HB  ))
      6.000     4.500     0.000 peak    20 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.249 ppm2      1.881 CV     1
 ASSI {   21}
   (( segid "    " and resid 112  and name HA  ))
   (  segid "    " and resid 112  and name HG2%)
      6.000     4.500     0.000 peak    21 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.248 ppm2      1.460 CV     1
 ASSI {   22}
   (( segid "    " and resid 112  and name HA  ))
   (  segid "    " and resid 113  and name HG1%)
      6.000     4.500     0.000 peak    22 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.252 ppm2      0.912 CV     1
 ASSI {   25}
   (( segid "    " and resid 114  and name HA  ))
   (( segid "    " and resid 114  and name HG1 ))
      6.000     4.500     0.000 peak    25 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.471 ppm2      2.465 CV     1
 ASSI {   26}
   (( segid "    " and resid 114  and name HA  ))
   (( segid "    " and resid 114  and name HG2 ))
      6.000     4.500     0.000 peak    26 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.466 ppm2      2.000 CV     1
 ASSI {   29}
   (( segid "    " and resid 114  and name HA  ))
   (( segid "    " and resid 114  and name HD2 ))
      6.000     4.500     0.000 peak    29 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.469 ppm2      3.676 CV     1
 ASSI {   30}
   (( segid "    " and resid 114  and name HA  ))
   (( segid "    " and resid 114  and name HB1 ))
      6.000     4.500     0.000 peak    30 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.471 ppm2      2.879 CV     1
 ASSI {   31}
   (( segid "    " and resid 114  and name HA  ))
   (( segid "    " and resid 114  and name HB2 ))
      6.000     4.500     0.000 peak    31 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.469 ppm2      2.102 CV     1
 ASSI {   32}
   (( segid "    " and resid 114  and name HA  ))
   (  segid "    " and resid 113  and name HG2%)
      6.000     4.500     0.000 peak    32 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.472 ppm2      1.178 CV     1
 ASSI {   33}
   (( segid "    " and resid 114  and name HA  ))
   (  segid "    " and resid 113  and name HG1%)
      6.000     6.000     0.000 peak    33 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.472 ppm2      0.884 CV     1
 ASSI {   34}
   (( segid "    " and resid 114  and name HA  ))
   (( segid "    " and resid 113  and name HA  ))
      6.000     4.500     0.000 peak    34 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.467 ppm2      4.326 CV     1
 ASSI {   40}
   (( segid "    " and resid 62   and name HA  ))
   (( segid "    " and resid 31   and name HA  ))
      6.000     4.500     0.000 peak    40 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.529 ppm2      5.918 CV     1
 ASSI {   42}
   (( segid "    " and resid 62   and name HA  ))
   (( segid "    " and resid 62   and name HB  ))
      6.000     4.500     0.000 peak    42 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.530 ppm2      3.834 CV     1
 ASSI {   43}
   (( segid "    " and resid 62   and name HA  ))
   (( segid "    " and resid 31   and name HB1 ))
      6.000     4.500     0.000 peak    43 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.527 ppm2      3.616 CV     1
 OR {   43}
   (( segid "    " and resid 62   and name HA  ))
   (( segid "    " and resid 31   and name HB2 ))
 ASSI {   44}
   (( segid "    " and resid 62   and name HA  ))
   (( segid "    " and resid 64   and name HB1 ))
      6.000     4.500     0.000 peak    44 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.527 ppm2      1.504 CV     1
 ASSI {   45}
   (( segid "    " and resid 62   and name HA  ))
   (( segid "    " and resid 60   and name HG  ))
      6.000     4.500     0.000 peak    45 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.530 ppm2      1.293 CV     1
 ASSI {   46}
   (( segid "    " and resid 62   and name HA  ))
   (  segid "    " and resid 62   and name HG2%)
      6.000     4.500     0.000 peak    46 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.529 ppm2      1.109 CV     1
 ASSI {   47}
   (( segid "    " and resid 62   and name HA  ))
   (  segid "    " and resid 60   and name HD1%)
      6.000     4.500     0.000 peak    47 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.528 ppm2      0.747 CV     1
 ASSI {   49}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 44   and name HD1 ))
      6.000     4.500     0.000 peak    49 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.122 ppm2      3.844 CV     1
 ASSI {   51}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 44   and name HD2 ))
      6.000     4.500     0.000 peak    51 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.112 ppm2      4.112 CV     1
 ASSI {   52}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 43   and name HB2 ))
      6.000     4.500     0.000 peak    52 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.114 ppm2      2.443 CV     1
 ASSI {   53}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 50   and name HB1 ))
      6.000     4.500     0.000 peak    53 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.116 ppm2      1.999 CV     1
 OR {   53}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 50   and name HB2 ))
 ASSI {   58}
   (( segid "    " and resid 58   and name HA  ))
   (  segid "    " and resid 58   and name HG1%)
      6.000     4.500     0.000 peak    58 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.026 ppm2      1.002 CV     1
 OR {   58}
   (( segid "    " and resid 58   and name HA  ))
   (  segid "    " and resid 58   and name HG2%)
 ASSI {   60}
   (( segid "    " and resid 58   and name HA  ))
   (( segid "    " and resid 58   and name HB  ))
      6.000     4.500     0.000 peak    60 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.035 ppm2      1.999 CV     1
 ASSI {   61}
   (( segid "    " and resid 58   and name HA  ))
   (  segid "    " and resid 131  and name HG2%)
      6.000     4.500     0.000 peak    61 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.029 ppm2      0.852 CV     1
 ASSI {   63}
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 40   and name HB1 ))
      6.000     4.500     0.000 peak    63 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.262 ppm2      2.716 CV     1
 ASSI {   64}
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 40   and name HN  ))
      6.000     4.500     0.000 peak    64 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.265 ppm2      9.114 CV     1
 ASSI {   66}
   (( segid "    " and resid 40   and name HA  ))
   (  segid "    " and resid 40   and name HD% )
      6.000     4.500     0.000 peak    66 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.262 ppm2      7.046 CV     1
 ASSI {   67}
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 157  and name HA  ))
      6.000     4.500     0.000 peak    67 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.266 ppm2      4.484 CV     1
 ASSI {   78}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 63   and name HB1 ))
      6.000     4.500     0.000 peak    78 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.005 ppm2      4.064 CV     1
 OR {   78}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 63   and name HB2 ))
 ASSI {   87}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 62   and name HB  ))
      6.000     4.500     0.000 peak    87 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.959 ppm2      3.838 CV     1
 ASSI {   88}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 31   and name HB1 ))
      6.000     4.500     0.000 peak    88 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.956 ppm2      3.609 CV     1
 OR {   88}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 31   and name HB2 ))
 ASSI {   90}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 60   and name HG  ))
      6.000     4.500     0.000 peak    90 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.955 ppm2      1.298 CV     1
 ASSI {   91}
   (( segid "    " and resid 31   and name HA  ))
   (  segid "    " and resid 62   and name HG2%)
      6.000     4.500     0.000 peak    91 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.958 ppm2      1.113 CV     1
 ASSI {   97}
   (( segid "    " and resid 4    and name HA  ))
   (( segid "    " and resid 58   and name HN  ))
      6.000     4.500     0.000 peak    97 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.578 ppm2      9.099 CV     1
 ASSI {   98}
   (( segid "    " and resid 4    and name HA  ))
   (  segid "    " and resid 4    and name HD% )
      6.000     4.500     0.000 peak    98 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.574 ppm2      6.837 CV     1
 ASSI {  101}
   (( segid "    " and resid 4    and name HA  ))
   (( segid "    " and resid 5    and name HG11))
      6.000     4.500     0.000 peak   101 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.577 ppm2      1.604 CV     1
 OR {  101}
   (( segid "    " and resid 4    and name HA  ))
   (( segid "    " and resid 5    and name HG12))
 ASSI {  104}
   (( segid "    " and resid 4    and name HA  ))
   (( segid "    " and resid 128  and name HG  ))
      6.000     4.500     0.000 peak   104 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.580 ppm2      0.308 CV     1
 ASSI {  106}
   (( segid "    " and resid 4    and name HA  ))
   (( segid "    " and resid 4    and name HB1 ))
      6.000     4.500     0.000 peak   106 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.570 ppm2      2.728 CV     1
 ASSI {  108}
   (( segid "    " and resid 4    and name HA  ))
   (  segid "    " and resid 58   and name HG2%)
      6.000     4.500     0.000 peak   108 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.571 ppm2      1.006 CV     1
 OR {  108}
   (( segid "    " and resid 4    and name HA  ))
   (  segid "    " and resid 58   and name HG1%)
 ASSI {  109}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 43   and name HG1 ))
      6.000     4.500     0.000 peak   109 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.169 ppm2      2.188 CV     1
 OR {  109}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 43   and name HG2 ))
 ASSI {  111}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 42   and name HB  ))
      6.000     4.500     0.000 peak   111 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.165 ppm2      4.385 CV     1
 ASSI {  112}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 43   and name HD1 ))
      6.000     4.500     0.000 peak   112 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.164 ppm2      3.834 CV     1
 OR {  112}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 43   and name HD2 ))
 ASSI {  113}
   (( segid "    " and resid 42   and name HA  ))
   (  segid "    " and resid 42   and name HG2%)
      6.000     4.500     0.000 peak   113 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.164 ppm2      1.445 CV     1
 ASSI {  114}
   (( segid "    " and resid 54   and name HA  ))
   (( segid "    " and resid 158  and name HE3 ))
      6.000     4.500     0.000 peak   114 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.495 ppm2      7.425 CV     1
 ASSI {  116}
   (( segid "    " and resid 54   and name HA  ))
   (( segid "    " and resid 41   and name HA  ))
      6.000     4.500     0.000 peak   116 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.496 ppm2      6.090 CV     1
 ASSI {  120}
   (( segid "    " and resid 54   and name HA  ))
   (( segid "    " and resid 54   and name HB2 ))
      6.000     4.500     0.000 peak   120 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.487 ppm2      0.968 CV     1
 ASSI {  121}
   (( segid "    " and resid 54   and name HA  ))
   (( segid "    " and resid 54   and name HB1 ))
      6.000     4.500     0.000 peak   121 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.487 ppm2      0.369 CV     1
 ASSI {  122}
   (( segid "    " and resid 54   and name HA  ))
   (( segid "    " and resid 54   and name HG  ))
      6.000     4.500     0.000 peak   122 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.484 ppm2      0.233 CV     1
 ASSI {  123}
   (( segid "    " and resid 54   and name HA  ))
   (  segid "    " and resid 54   and name HD1%)
      6.000     4.500     0.000 peak   123 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.488 ppm2     -0.630 CV     1
 OR {  123}
   (( segid "    " and resid 54   and name HA  ))
   (  segid "    " and resid 54   and name HD2%)
 ASSI {  125}
   (( segid "    " and resid 41   and name HA  ))
   (( segid "    " and resid 158  and name HE3 ))
      6.000     4.500     0.000 peak   125 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.095 ppm2      7.408 CV     1
 ASSI {  129}
   (( segid "    " and resid 41   and name HA  ))
   (( segid "    " and resid 158  and name HA  ))
      6.000     4.500     0.000 peak   129 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.104 ppm2      3.979 CV     1
 ASSI {  130}
   (( segid "    " and resid 41   and name HA  ))
   (( segid "    " and resid 41   and name HD1 ))
      6.000     4.500     0.000 peak   130 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.099 ppm2      3.181 CV     1
 ASSI {  132}
   (( segid "    " and resid 41   and name HA  ))
   (( segid "    " and resid 41   and name HB2 ))
      6.000     4.500     0.000 peak   132 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.096 ppm2      1.747 CV     1
 OR {  132}
   (( segid "    " and resid 41   and name HA  ))
   (( segid "    " and resid 41   and name HB1 ))
 ASSI {  133}
   (( segid "    " and resid 41   and name HA  ))
   (( segid "    " and resid 41   and name HG2 ))
      6.000     4.500     0.000 peak   133 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.098 ppm2      1.611 CV     1
 ASSI {  134}
   (( segid "    " and resid 41   and name HA  ))
   (( segid "    " and resid 41   and name HG1 ))
      6.000     4.500     0.000 peak   134 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.099 ppm2      1.294 CV     1
 ASSI {  136}
   (( segid "    " and resid 41   and name HA  ))
   (  segid "    " and resid 42   and name HG2%)
      6.000     4.500     0.000 peak   136 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.087 ppm2      1.460 CV     1
 ASSI {  139}
   (( segid "    " and resid 39   and name HA  ))
   (  segid "    " and resid 39   and name HD% )
      6.000     4.500     0.000 peak   139 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.253 ppm2      6.949 CV     1
 ASSI {  140}
   (( segid "    " and resid 39   and name HA  ))
   (( segid "    " and resid 39   and name HB2 ))
      6.000     4.500     0.000 peak   140 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.249 ppm2      3.361 CV     1
 ASSI {  141}
   (( segid "    " and resid 39   and name HA  ))
   (  segid "    " and resid 56   and name HB% )
      6.000     4.500     0.000 peak   141 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.254 ppm2      1.420 CV     1
 ASSI {  148}
   (( segid "    " and resid 55   and name HA  ))
   (( segid "    " and resid 8    and name HA2 ))
      6.000     4.500     0.000 peak   148 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.224 ppm2      5.752 CV     1
 ASSI {  149}
   (( segid "    " and resid 55   and name HA  ))
   (( segid "    " and resid 8    and name HA1 ))
      6.000     4.500     0.000 peak   149 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.226 ppm2      4.160 CV     1
 ASSI {  150}
   (( segid "    " and resid 55   and name HA  ))
   (( segid "    " and resid 55   and name HB2 ))
      6.000     4.500     0.000 peak   150 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.227 ppm2      3.367 CV     1
 ASSI {  151}
   (( segid "    " and resid 55   and name HA  ))
   (( segid "    " and resid 55   and name HB1 ))
      6.000     4.500     0.000 peak   151 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.230 ppm2      2.230 CV     1
 ASSI {  152}
   (( segid "    " and resid 55   and name HA  ))
   (  segid "    " and resid 56   and name HB% )
      6.000     4.500     0.000 peak   152 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.227 ppm2      1.432 CV     1
 ASSI {  153}
   (( segid "    " and resid 55   and name HA  ))
   (( segid "    " and resid 54   and name HG  ))
      6.000     4.500     0.000 peak   153 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.228 ppm2      0.234 CV     1
 ASSI {  160}
   (( segid "    " and resid 107  and name HA  ))
   (( segid "    " and resid 106  and name HA  ))
      6.000     4.500     0.000 peak   160 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.530 ppm2      4.326 CV     1
 ASSI {  163}
   (( segid "    " and resid 107  and name HA  ))
   (  segid "    " and resid 108  and name HG2%)
      6.000     4.500     0.000 peak   163 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.522 ppm2      1.224 CV     1
 ASSI {  164}
   (( segid "    " and resid 107  and name HA  ))
   (  segid "    " and resid 106  and name HG2%)
      6.000     4.500     0.000 peak   164 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.523 ppm2      0.941 CV     1
 ASSI {  168}
   (( segid "    " and resid 39   and name HA  ))
   (( segid "    " and resid 54   and name HG  ))
      6.000     4.500     0.000 peak   168 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.249 ppm2      0.247 CV     1
 ASSI {  171}
   (( segid "    " and resid 96   and name HA  ))
   (( segid "    " and resid 96   and name HB1 ))
      6.000     4.500     0.000 peak   171 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.380 ppm2      0.971 CV     1
 ASSI {  172}
   (( segid "    " and resid 96   and name HA  ))
   (( segid "    " and resid 96   and name HB2 ))
      6.000     4.500     0.000 peak   172 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.375 ppm2      2.149 CV     1
 ASSI {  178}
   (( segid "    " and resid 97   and name HA  ))
   (( segid "    " and resid 98   and name HB  ))
      6.000     4.500     0.000 peak   178 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.543 ppm2      2.138 CV     1
 ASSI {  180}
   (( segid "    " and resid 120  and name HA  ))
   (( segid "    " and resid 120  and name HB2 ))
      6.000     4.500     0.000 peak   180 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.021 ppm2      3.009 CV     1
 ASSI {  181}
   (( segid "    " and resid 97   and name HA  ))
   (( segid "    " and resid 97   and name HB1 ))
      6.000     4.500     0.000 peak   181 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.565 ppm2      2.531 CV     1
 ASSI {  185}
   (( segid "    " and resid 97   and name HA  ))
   (( segid "    " and resid 98   and name HG11))
      6.000     4.500     0.000 peak   185 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.551 ppm2      0.977 CV     1
 ASSI {  186}
   (( segid "    " and resid 97   and name HA  ))
   (  segid "    " and resid 98   and name HG2%)
      6.000     4.500     0.000 peak   186 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.554 ppm2      0.827 CV     1
 ASSI {  187}
   (( segid "    " and resid 97   and name HA  ))
   (( segid "    " and resid 97   and name HB2 ))
      6.000     4.500     0.000 peak   187 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.543 ppm2      2.362 CV     1
 ASSI {  188}
   (( segid "    " and resid 103  and name HA  ))
   (( segid "    " and resid 138  and name HB2 ))
      6.000     4.500     0.000 peak   188 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.185 ppm2      1.821 CV     1
 ASSI {  192}
   (( segid "    " and resid 103  and name HA  ))
   (( segid "    " and resid 103  and name HN  ))
      6.000     4.500     0.000 peak   192 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.189 ppm2      9.260 CV     1
 ASSI {  195}
   (( segid "    " and resid 103  and name HA  ))
   (( segid "    " and resid 138  and name HD1 ))
      6.000     4.500     0.000 peak   195 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.189 ppm2      4.028 CV     1
 OR {  195}
   (( segid "    " and resid 103  and name HA  ))
   (( segid "    " and resid 138  and name HD2 ))
 ASSI {  196}
   (( segid "    " and resid 103  and name HA  ))
   (( segid "    " and resid 103  and name HB2 ))
      6.000     4.500     0.000 peak   196 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.187 ppm2      2.674 CV     1
 ASSI {  198}
   (( segid "    " and resid 103  and name HA  ))
   (( segid "    " and resid 138  and name HG1 ))
      6.000     4.500     0.000 peak   198 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.190 ppm2      1.994 CV     1
 OR {  198}
   (( segid "    " and resid 103  and name HA  ))
   (( segid "    " and resid 138  and name HG2 ))
 ASSI {  199}
   (( segid "    " and resid 103  and name HA  ))
   (( segid "    " and resid 103  and name HB1 ))
      6.000     4.500     0.000 peak   199 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.180 ppm2      3.006 CV     1
 ASSI {  202}
   (( segid "    " and resid 117  and name HA  ))
   (( segid "    " and resid 117  and name HB1 ))
      6.000     4.500     0.000 peak   202 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.085 ppm2      1.532 CV     1
 ASSI {  203}
   (( segid "    " and resid 117  and name HA  ))
   (( segid "    " and resid 117  and name HB2 ))
      6.000     4.500     0.000 peak   203 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.086 ppm2      0.877 CV     1
 ASSI {  205}
   (( segid "    " and resid 6    and name HA  ))
   (( segid "    " and resid 57   and name HA  ))
      6.000     4.500     0.000 peak   205 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.053 ppm2      5.658 CV     1
 ASSI {  207}
   (( segid "    " and resid 6    and name HA  ))
   (  segid "    " and resid 6    and name HB% )
      6.000     4.500     0.000 peak   207 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.046 ppm2      1.781 CV     1
 ASSI {  208}
   (( segid "    " and resid 6    and name HA  ))
   (  segid "    " and resid 57   and name HB% )
      6.000     4.500     0.000 peak   208 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.038 ppm2      1.377 CV     1
 ASSI {  213}
   (( segid "    " and resid 57   and name HA  ))
   (( segid "    " and resid 58   and name HB  ))
      6.000     4.500     0.000 peak   213 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.679 ppm2      1.991 CV     1
 ASSI {  215}
   (( segid "    " and resid 57   and name HA  ))
   (  segid "    " and resid 57   and name HB% )
      6.000     4.500     0.000 peak   215 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.679 ppm2      1.364 CV     1
 ASSI {  216}
   (( segid "    " and resid 57   and name HA  ))
   (  segid "    " and resid 58   and name HG1%)
      6.000     4.500     0.000 peak   216 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.682 ppm2      1.003 CV     1
 OR {  216}
   (( segid "    " and resid 57   and name HA  ))
   (  segid "    " and resid 58   and name HG2%)
 ASSI {  217}
   (( segid "    " and resid 57   and name HA  ))
   (  segid "    " and resid 131  and name HG2%)
      6.000     4.500     0.000 peak   217 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.681 ppm2      0.854 CV     1
 ASSI {  218}
   (( segid "    " and resid 57   and name HA  ))
   (  segid "    " and resid 6    and name HB% )
      6.000     4.500     0.000 peak   218 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.675 ppm2      1.789 CV     1
 ASSI {  220}
   (( segid "    " and resid 57   and name HA  ))
   (  segid "    " and resid 7    and name HD1%)
      6.000     4.500     0.000 peak   220 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.671 ppm2      0.701 CV     1
 ASSI {  222}
   (( segid "    " and resid 8    and name HA2 ))
   (( segid "    " and resid 95   and name HN  ))
      6.000     4.500     0.000 peak   222 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.757 ppm2      9.226 CV     1
 ASSI {  228}
   (( segid "    " and resid 8    and name HA2 ))
   (( segid "    " and resid 8    and name HA1 ))
      6.000     4.500     0.000 peak   228 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.758 ppm2      4.167 CV     1
 ASSI {  246}
   (( segid "    " and resid 35   and name HB  ))
   (( segid "    " and resid 59   and name HN  ))
      6.000     4.500     0.000 peak   246 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.121 ppm2      8.537 CV     1
 ASSI {  250}
   (( segid "    " and resid 149  and name HB  ))
   (( segid "    " and resid 150  and name HN  ))
      6.000     4.500     0.000 peak   250 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.198 ppm2      7.851 CV     1
 ASSI {  251}
   (( segid "    " and resid 149  and name HB  ))
   (( segid "    " and resid 145  and name HE22))
      6.000     4.500     0.000 peak   251 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.196 ppm2      7.580 CV     1
 ASSI {  252}
   (( segid "    " and resid 1    and name HB  ))
   (( segid "    " and resid 2    and name HN  ))
      6.000     4.500     0.000 peak   252 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.557 ppm2      8.764 CV     1
 ASSI {  260}
   (( segid "    " and resid 93   and name HB  ))
   (( segid "    " and resid 93   and name HN  ))
      6.000     4.500     0.000 peak   260 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.112 ppm2      8.753 CV     1
 ASSI {  266}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 23   and name HN  ))
      6.000     4.500     0.000 peak   266 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.432 ppm2      7.423 CV     1
 ASSI {  267}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 18   and name HN  ))
      6.000     4.500     0.000 peak   267 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.437 ppm2      8.733 CV     1
 ASSI {  280}
   (( segid "    " and resid 66   and name HA  ))
   (  segid "    " and resid 101  and name HD% )
      6.000     4.500     0.000 peak   280 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.354 ppm2      7.034 CV     1
 ASSI {  281}
   (( segid "    " and resid 127  and name HA  ))
   (( segid "    " and resid 126  and name HD1 ))
      6.000     4.500     0.000 peak   281 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.547 ppm2      6.728 CV     1
 ASSI {  282}
   (( segid "    " and resid 138  and name HA  ))
   (( segid "    " and resid 139  and name HN  ))
      6.000     4.500     0.000 peak   282 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.507 ppm2      7.536 CV     1
 ASSI {  283}
   (( segid "    " and resid 37   and name HB1 ))
   (  segid "    " and resid 40   and name HD% )
      6.000     4.500     0.000 peak   283 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.094 ppm2      7.039 CV     1
 ASSI {  288}
   (( segid "    " and resid 9    and name HB2 ))
   (( segid "    " and resid 9    and name HN  ))
      6.000     4.500     0.000 peak   288 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.882 ppm2      7.978 CV     1
 ASSI {  294}
   (( segid "    " and resid 138  and name HA  ))
   (( segid "    " and resid 140  and name HN  ))
      6.000     4.500     0.000 peak   294 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.500 ppm2      8.374 CV     1
 ASSI {  297}
   (( segid "    " and resid 146  and name HA  ))
   (( segid "    " and resid 145  and name HE22))
      6.000     4.500     0.000 peak   297 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.649 ppm2      7.584 CV     1
 ASSI {  300}
   (( segid "    " and resid 146  and name HA  ))
   (( segid "    " and resid 147  and name HN  ))
      6.000     4.500     0.000 peak   300 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.658 ppm2      7.439 CV     1
 ASSI {  306}
   (( segid "    " and resid 149  and name HA  ))
   (( segid "    " and resid 150  and name HN  ))
      6.000     4.500     0.000 peak   306 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.023 ppm2      7.850 CV     1
 ASSI {  312}
   (( segid "    " and resid 63   and name HB2 ))
   (( segid "    " and resid 62   and name HA  ))
      6.000     4.500     0.000 peak   312 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.098 ppm2      5.519 CV     1
 OR {  312}
   (( segid "    " and resid 63   and name HB1 ))
   (( segid "    " and resid 62   and name HA  ))
 ASSI {  320}
   (( segid "    " and resid 93   and name HA  ))
   (( segid "    " and resid 10   and name HN  ))
      6.000     4.500     0.000 peak   320 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.016 ppm2      8.476 CV     1
 ASSI {  322}
   (( segid "    " and resid 93   and name HA  ))
   (( segid "    " and resid 94   and name HN  ))
      6.000     4.500     0.000 peak   322 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.019 ppm2      6.375 CV     1
 ASSI {  328}
   (( segid "    " and resid 44   and name HA  ))
   (  segid "    " and resid 53   and name HD% )
      6.000     4.500     0.000 peak   328 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.208 ppm2      6.568 CV     1
 ASSI {  331}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 34   and name HN  ))
      6.000     4.500     0.000 peak   331 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.897 ppm2      9.181 CV     1
 ASSI {  332}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 61   and name HN  ))
      6.000     4.500     0.000 peak   332 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.901 ppm2      8.807 CV     1
 ASSI {  333}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 35   and name HN  ))
      6.000     4.500     0.000 peak   333 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.898 ppm2      7.338 CV     1
 ASSI {  336}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 52   and name HN  ))
      6.000     4.500     0.000 peak   336 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.452 ppm2      8.043 CV     1
 ASSI {  342}
   (( segid "    " and resid 158  and name HA  ))
   (( segid "    " and resid 158  and name HE3 ))
      6.000     4.500     0.000 peak   342 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.970 ppm2      7.401 CV     1
 ASSI {  343}
   (( segid "    " and resid 38   and name HB1 ))
   (( segid "    " and resid 38   and name HN  ))
      6.000     4.500     0.000 peak   343 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.741 ppm2      9.334 CV     1
 ASSI {  351}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 73   and name HN  ))
      6.000     4.500     0.000 peak   351 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.398 ppm2      9.338 CV     1
 ASSI {  352}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 72   and name HN  ))
      6.000     4.500     0.000 peak   352 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.398 ppm2      7.754 CV     1
 ASSI {  353}
   (( segid "    " and resid 83   and name HA  ))
   (( segid "    " and resid 84   and name HN  ))
      6.000     4.500     0.000 peak   353 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.276 ppm2      8.811 CV     1
 ASSI {  354}
   (( segid "    " and resid 83   and name HA  ))
   (( segid "    " and resid 83   and name HN  ))
      6.000     4.500     0.000 peak   354 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.273 ppm2      8.230 CV     1
 ASSI {  356}
   (( segid "    " and resid 13   and name HB1 ))
   (( segid "    " and resid 13   and name HN  ))
      6.000     4.500     0.000 peak   356 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.156 ppm2      8.710 CV     1
 ASSI {  357}
   (( segid "    " and resid 13   and name HB1 ))
   (( segid "    " and resid 16   and name HN  ))
      6.000     4.500     0.000 peak   357 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.158 ppm2      7.275 CV     1
 ASSI {  367}
   (( segid "    " and resid 106  and name HA  ))
   (( segid "    " and resid 106  and name HN  ))
      6.000     4.500     0.000 peak   367 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.317 ppm2      9.394 CV     1
 ASSI {  372}
   (( segid "    " and resid 116  and name HA  ))
   (  segid "    " and resid 116  and name HD% )
      6.000     4.500     0.000 peak   372 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.198 ppm2      6.657 CV     1
 ASSI {  373}
   (( segid "    " and resid 118  and name HA  ))
   (( segid "    " and resid 119  and name HN  ))
      6.000     4.500     0.000 peak   373 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.868 ppm2      8.103 CV     1
 ASSI {  375}
   (( segid "    " and resid 118  and name HA  ))
   (( segid "    " and resid 118  and name HN  ))
      6.000     4.500     0.000 peak   375 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.868 ppm2      7.558 CV     1
 ASSI {  377}
   (( segid "    " and resid 129  and name HA  ))
   (( segid "    " and resid 129  and name HN  ))
      6.000     4.500     0.000 peak   377 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.859 ppm2      8.669 CV     1
 ASSI {  379}
   (( segid "    " and resid 129  and name HA  ))
   (  segid "    " and resid 129  and name HD% )
      6.000     4.500     0.000 peak   379 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.862 ppm2      7.201 CV     1
 ASSI {  380}
   (( segid "    " and resid 118  and name HA  ))
   (( segid "    " and resid 121  and name HN  ))
      6.000     4.500     0.000 peak   380 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.863 ppm2      7.015 CV     1
 ASSI {  381}
   (( segid "    " and resid 129  and name HA  ))
   (( segid "    " and resid 130  and name HN  ))
      6.000     4.500     0.000 peak   381 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.851 ppm2      7.754 CV     1
 ASSI {  382}
   (( segid "    " and resid 38   and name HA  ))
   (( segid "    " and resid 39   and name HN  ))
      6.000     4.500     0.000 peak   382 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.282 ppm2      8.670 CV     1
 ASSI {  387}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 75   and name HN  ))
      6.000     4.500     0.000 peak   387 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.143 ppm2      7.718 CV     1
 ASSI {  389}
   (( segid "    " and resid 109  and name HA  ))
   (( segid "    " and resid 111  and name HN  ))
      6.000     4.500     0.000 peak   389 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.039 ppm2      7.650 CV     1
 ASSI {  390}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 24   and name HN  ))
      6.000     4.500     0.000 peak   390 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.027 ppm2      7.943 CV     1
 ASSI {  392}
   (( segid "    " and resid 67   and name HA  ))
   (( segid "    " and resid 67   and name HN  ))
      6.000     4.500     0.000 peak   392 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.657 ppm2      8.726 CV     1
 ASSI {  393}
   (( segid "    " and resid 67   and name HA  ))
   (( segid "    " and resid 69   and name HN  ))
      6.000     4.500     0.000 peak   393 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.652 ppm2      8.214 CV     1
 ASSI {  394}
   (( segid "    " and resid 67   and name HA  ))
   (( segid "    " and resid 68   and name HN  ))
      6.000     4.500     0.000 peak   394 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.657 ppm2      6.886 CV     1
 ASSI {  398}
   (( segid "    " and resid 144  and name HA  ))
   (  segid "    " and resid 129  and name HD% )
      6.000     4.500     0.000 peak   398 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.527 ppm2      7.207 CV     1
 ASSI {  402}
   (( segid "    " and resid 37   and name HA  ))
   (( segid "    " and resid 57   and name HN  ))
      6.000     4.500     0.000 peak   402 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.280 ppm2      9.514 CV     1
 ASSI {  408}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 19   and name HD21))
      6.000     4.500     0.000 peak   408 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.101 ppm2      7.391 CV     1
 ASSI {  411}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 23   and name HN  ))
      6.000     4.500     0.000 peak   411 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.012 ppm2      7.428 CV     1
 ASSI {  412}
   (( segid "    " and resid 119  and name HA  ))
   (( segid "    " and resid 121  and name HN  ))
      6.000     4.500     0.000 peak   412 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.806 ppm2      6.994 CV     1
 ASSI {  420}
   (( segid "    " and resid 130  and name HA  ))
   (( segid "    " and resid 130  and name HN  ))
      6.000     4.500     0.000 peak   420 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.893 ppm2      7.751 CV     1
 ASSI {  421}
   (( segid "    " and resid 130  and name HA  ))
   (( segid "    " and resid 131  and name HN  ))
      6.000     4.500     0.000 peak   421 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.899 ppm2      6.938 CV     1
 ASSI {  422}
   (( segid "    " and resid 130  and name HA  ))
   (  segid "    " and resid 129  and name HD% )
      6.000     4.500     0.000 peak   422 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.888 ppm2      7.200 CV     1
 ASSI {  425}
   (( segid "    " and resid 148  and name HA  ))
   (( segid "    " and resid 148  and name HD2 ))
      6.000     4.500     0.000 peak   425 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.432 ppm2      6.998 CV     1
 ASSI {  426}
   (( segid "    " and resid 137  and name HA  ))
   (  segid "    " and resid 137  and name HD% )
      6.000     4.500     0.000 peak   426 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.313 ppm2      7.334 CV     1
 ASSI {  429}
   (( segid "    " and resid 69   and name HA  ))
   (( segid "    " and resid 72   and name HD2 ))
      6.000     4.500     0.000 peak   429 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.201 ppm2      7.237 CV     1
 ASSI {  431}
   (( segid "    " and resid 123  and name HA  ))
   (( segid "    " and resid 125  and name HN  ))
      6.000     4.500     0.000 peak   431 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.370 ppm2      7.606 CV     1
 ASSI {  438}
   (( segid "    " and resid 78   and name HA  ))
   (( segid "    " and resid 78   and name HN  ))
      6.000     4.500     0.000 peak   438 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.187 ppm2      7.971 CV     1
 ASSI {  441}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 10   and name HN  ))
      6.000     4.500     0.000 peak   441 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.155 ppm2      8.471 CV     1
 ASSI {  442}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 11   and name HN  ))
      6.000     4.500     0.000 peak   442 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.161 ppm2      6.993 CV     1
 ASSI {  444}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 25   and name HN  ))
      6.000     4.500     0.000 peak   444 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.974 ppm2      9.338 CV     1
 ASSI {  448}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 54   and name HN  ))
      6.000     4.500     0.000 peak   448 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.350 ppm2      8.567 CV     1
 ASSI {  449}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 71   and name HD21))
      6.000     4.500     0.000 peak   449 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.350 ppm2      7.449 CV     1
 ASSI {  450}
   (( segid "    " and resid 53   and name HA  ))
   (  segid "    " and resid 53   and name HD% )
      6.000     4.500     0.000 peak   450 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.357 ppm2      6.540 CV     1
 ASSI {  458}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 17   and name HE21))
      6.000     4.500     0.000 peak   458 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.999 ppm2      7.717 CV     1
 ASSI {  461}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 80   and name HE22))
      6.000     4.500     0.000 peak   461 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.994 ppm2      7.892 CV     1
 ASSI {  463}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 18   and name HN  ))
      6.000     4.500     0.000 peak   463 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.427 ppm2      8.727 CV     1
 ASSI {  466}
   (( segid "    " and resid 101  and name HA  ))
   (( segid "    " and resid 102  and name HN  ))
      6.000     4.500     0.000 peak   466 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.561 ppm2      8.410 CV     1
 ASSI {  471}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 16   and name HN  ))
      6.000     4.500     0.000 peak   471 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.990 ppm2      7.265 CV     1
 ASSI {  472}
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 25   and name HN  ))
      6.000     4.500     0.000 peak   472 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.897 ppm2      9.339 CV     1
 ASSI {  473}
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 26   and name HN  ))
      6.000     4.500     0.000 peak   473 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.899 ppm2      7.490 CV     1
 ASSI {  477}
   (( segid "    " and resid 147  and name HA  ))
   (( segid "    " and resid 148  and name HN  ))
      6.000     4.500     0.000 peak   477 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.671 ppm2      7.571 CV     1
 ASSI {  478}
   (( segid "    " and resid 147  and name HA  ))
   (( segid "    " and resid 150  and name HN  ))
      6.000     4.500     0.000 peak   478 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.666 ppm2      7.852 CV     1
 ASSI {  479}
   (( segid "    " and resid 147  and name HA  ))
   (( segid "    " and resid 147  and name HN  ))
      6.000     4.500     0.000 peak   479 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.664 ppm2      7.434 CV     1
 ASSI {  481}
   (( segid "    " and resid 147  and name HA  ))
   (  segid "    " and resid 152  and name HD% )
      6.000     4.500     0.000 peak   481 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.667 ppm2      7.050 CV     1
 ASSI {  483}
   (( segid "    " and resid 141  and name HA  ))
   (( segid "    " and resid 141  and name HN  ))
      6.000     4.500     0.000 peak   483 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.296 ppm2      8.002 CV     1
 ASSI {  502}
   (( segid "    " and resid 157  and name HA  ))
   (  segid "    " and resid 40   and name HD% )
      6.000     4.500     0.000 peak   502 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.498 ppm2      7.052 CV     1
 ASSI {  510}
   (( segid "    " and resid 87   and name HA  ))
   (( segid "    " and resid 87   and name HN  ))
      6.000     4.500     0.000 peak   510 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.195 ppm2      8.360 CV     1
 ASSI {  512}
   (( segid "    " and resid 154  and name HA  ))
   (( segid "    " and resid 126  and name HD1 ))
      6.000     4.500     0.000 peak   512 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.980 ppm2      6.732 CV     1
 ASSI {  516}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 71   and name HD21))
      6.000     4.500     0.000 peak   516 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.331 ppm2      7.449 CV     1
 ASSI {  520}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 48   and name HE21))
      6.000     4.500     0.000 peak   520 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.319 ppm2      7.043 CV     1
 ASSI {  525}
   (( segid "    " and resid 150  and name HA  ))
   (( segid "    " and resid 150  and name HN  ))
      6.000     4.500     0.000 peak   525 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.030 ppm2      7.840 CV     1
 ASSI {  526}
   (( segid "    " and resid 150  and name HA  ))
   (( segid "    " and resid 151  and name HN  ))
      6.000     4.500     0.000 peak   526 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.029 ppm2      7.522 CV     1
 ASSI {  527}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 25   and name HN  ))
      6.000     4.500     0.000 peak   527 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.211 ppm2      9.348 CV     1
 ASSI {  528}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 24   and name HN  ))
      6.000     4.500     0.000 peak   528 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.211 ppm2      7.925 CV     1
 ASSI {  530}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 20   and name HN  ))
      6.000     4.500     0.000 peak   530 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.161 ppm2      8.143 CV     1
 ASSI {  531}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 23   and name HN  ))
      6.000     4.500     0.000 peak   531 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.161 ppm2      7.427 CV     1
 ASSI {  534}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 25   and name HN  ))
      6.000     4.500     0.000 peak   534 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.125 ppm2      9.340 CV     1
 ASSI {  535}
   (( segid "    " and resid 153  and name HA  ))
   (( segid "    " and resid 153  and name HN  ))
      6.000     4.500     0.000 peak   535 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.575 ppm2      8.733 CV     1
 ASSI {  540}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 63   and name HN  ))
      6.000     4.500     0.000 peak   540 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.234 ppm2      8.247 CV     1
 ASSI {  541}
   (( segid "    " and resid 139  and name HA  ))
   (( segid "    " and resid 140  and name HN  ))
      6.000     4.500     0.000 peak   541 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.513 ppm2      8.357 CV     1
 ASSI {  542}
   (( segid "    " and resid 139  and name HA  ))
   (( segid "    " and resid 139  and name HN  ))
      6.000     4.500     0.000 peak   542 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.513 ppm2      7.511 CV     1
 ASSI {  554}
   (( segid "    " and resid 151  and name HA  ))
   (( segid "    " and resid 151  and name HN  ))
      6.000     4.500     0.000 peak   554 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.090 ppm2      7.525 CV     1
 ASSI {  555}
   (( segid "    " and resid 151  and name HA  ))
   (( segid "    " and resid 150  and name HN  ))
      6.000     4.500     0.000 peak   555 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.085 ppm2      7.842 CV     1
 ASSI {  561}
   (( segid "    " and resid 138  and name HD2 ))
   (  segid "    " and resid 137  and name HD% )
      6.000     4.500     0.000 peak   561 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.028 ppm2      7.337 CV     1
 OR {  561}
   (( segid "    " and resid 138  and name HD1 ))
   (  segid "    " and resid 137  and name HD% )
 ASSI {  563}
   (( segid "    " and resid 44   and name HD1 ))
   (  segid "    " and resid 53   and name HD% )
      6.000     4.500     0.000 peak   563 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.857 ppm2      6.521 CV     1
 ASSI {  568}
   (( segid "    " and resid 29   and name HD2 ))
   (( segid "    " and resid 28   and name HN  ))
      6.000     4.500     0.000 peak   568 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.666 ppm2      7.173 CV     1
 ASSI {  575}
   (( segid "    " and resid 127  and name HD2 ))
   (( segid "    " and resid 126  and name HN  ))
      6.000     4.500     0.000 peak   575 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.225 ppm2      8.702 CV     1
 ASSI {  576}
   (( segid "    " and resid 127  and name HD2 ))
   (( segid "    " and resid 128  and name HN  ))
      6.000     4.500     0.000 peak   576 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.227 ppm2      6.572 CV     1
 ASSI {  582}
   (( segid "    " and resid 91   and name HD1 ))
   (( segid "    " and resid 90   and name HN  ))
      6.000     4.500     0.000 peak   582 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.687 ppm2      7.897 CV     1
 ASSI {  587}
   (( segid "    " and resid 133  and name HD1 ))
   (( segid "    " and resid 130  and name HN  ))
      6.000     4.500     0.000 peak   587 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.426 ppm2      7.720 CV     1
 ASSI {  588}
   (( segid "    " and resid 133  and name HD1 ))
   (( segid "    " and resid 135  and name HN  ))
      6.000     4.500     0.000 peak   588 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.429 ppm2      7.238 CV     1
 ASSI {  589}
   (( segid "    " and resid 66   and name HD1 ))
   (( segid "    " and resid 67   and name HN  ))
      6.000     4.500     0.000 peak   589 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.422 ppm2      8.723 CV     1
 ASSI {  590}
   (( segid "    " and resid 100  and name HB1 ))
   (  segid "    " and resid 4    and name HD% )
      6.000     4.500     0.000 peak   590 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.998 ppm2      6.841 CV     1
 ASSI {  592}
   (( segid "    " and resid 100  and name HB2 ))
   (  segid "    " and resid 4    and name HD% )
      6.000     4.500     0.000 peak   592 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.807 ppm2      6.835 CV     1
 ASSI {  595}
   (( segid "    " and resid 11   and name HB1 ))
   (( segid "    " and resid 11   and name HN  ))
      6.000     4.500     0.000 peak   595 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.254 ppm2      6.988 CV     1
 ASSI {  596}
   (( segid "    " and resid 11   and name HB1 ))
   (( segid "    " and resid 12   and name HN  ))
      6.000     4.500     0.000 peak   596 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.247 ppm2      8.151 CV     1
 ASSI {  599}
   (( segid "    " and resid 122  and name HA1 ))
   (  segid "    " and resid 152  and name HD% )
      6.000     4.500     0.000 peak   599 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.178 ppm2      7.050 CV     1
 ASSI {  600}
   (( segid "    " and resid 122  and name HA1 ))
   (( segid "    " and resid 123  and name HN  ))
      6.000     4.500     0.000 peak   600 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.147 ppm2      6.948 CV     1
 ASSI {  601}
   (( segid "    " and resid 122  and name HA1 ))
   (( segid "    " and resid 126  and name HD1 ))
      6.000     4.500     0.000 peak   601 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.151 ppm2      6.712 CV     1
 ASSI {  602}
   (( segid "    " and resid 102  and name HA1 ))
   (( segid "    " and resid 103  and name HN  ))
      6.000     4.500     0.000 peak   602 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.889 ppm2      9.257 CV     1
 OR {  602}
   (( segid "    " and resid 102  and name HA2 ))
   (( segid "    " and resid 103  and name HN  ))
 ASSI {  604}
   (( segid "    " and resid 102  and name HA2 ))
   (( segid "    " and resid 102  and name HN  ))
      6.000     4.500     0.000 peak   604 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.886 ppm2      8.411 CV     1
 OR {  604}
   (( segid "    " and resid 102  and name HA1 ))
   (( segid "    " and resid 102  and name HN  ))
 ASSI {  605}
   (( segid "    " and resid 122  and name HA2 ))
   (( segid "    " and resid 123  and name HN  ))
      6.000     4.500     0.000 peak   605 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.880 ppm2      6.954 CV     1
 ASSI {  606}
   (( segid "    " and resid 122  and name HA2 ))
   (( segid "    " and resid 126  and name HD1 ))
      6.000     4.500     0.000 peak   606 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.886 ppm2      6.731 CV     1
 ASSI {  607}
   (( segid "    " and resid 122  and name HA2 ))
   (( segid "    " and resid 122  and name HN  ))
      6.000     4.500     0.000 peak   607 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.874 ppm2      9.425 CV     1
 ASSI {  608}
   (( segid "    " and resid 122  and name HA2 ))
   (( segid "    " and resid 126  and name HN  ))
      6.000     4.500     0.000 peak   608 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.876 ppm2      8.714 CV     1
 ASSI {  609}
   (( segid "    " and resid 122  and name HA2 ))
   (  segid "    " and resid 152  and name HD% )
      6.000     4.500     0.000 peak   609 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.869 ppm2      7.046 CV     1
 ASSI {  612}
   (( segid "    " and resid 60   and name HB1 ))
   (( segid "    " and resid 60   and name HN  ))
      6.000     4.500     0.000 peak   612 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.032 ppm2      9.319 CV     1
 ASSI {  617}
   (( segid "    " and resid 55   and name HB1 ))
   (( segid "    " and resid 55   and name HD22))
      6.000     4.500     0.000 peak   617 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.240 ppm2      8.013 CV     1
 ASSI {  618}
   (( segid "    " and resid 26   and name HA2 ))
   (( segid "    " and resid 27   and name HN  ))
      6.000     4.500     0.000 peak   618 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.986 ppm2      7.337 CV     1
 ASSI {  624}
   (( segid "    " and resid 26   and name HA1 ))
   (( segid "    " and resid 28   and name HN  ))
      6.000     4.500     0.000 peak   624 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.874 ppm2      7.174 CV     1
 ASSI {  626}
   (( segid "    " and resid 55   and name HB2 ))
   (( segid "    " and resid 55   and name HD22))
      6.000     4.500     0.000 peak   626 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.360 ppm2      8.015 CV     1
 ASSI {  636}
   (( segid "    " and resid 94   and name HB1 ))
   (( segid "    " and resid 94   and name HN  ))
      6.000     4.500     0.000 peak   636 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.528 ppm2      6.371 CV     1
 OR {  636}
   (( segid "    " and resid 94   and name HB2 ))
   (( segid "    " and resid 94   and name HN  ))
 ASSI {  638}
   (( segid "    " and resid 140  and name HA1 ))
   (( segid "    " and resid 141  and name HN  ))
      6.000     4.500     0.000 peak   638 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.408 ppm2      8.001 CV     1
 ASSI {  643}
   (( segid "    " and resid 8    and name HA1 ))
   (( segid "    " and resid 9    and name HN  ))
      6.000     4.500     0.000 peak   643 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.164 ppm2      7.999 CV     1
 ASSI {  645}
   (( segid "    " and resid 140  and name HA2 ))
   (( segid "    " and resid 141  and name HN  ))
      6.000     4.500     0.000 peak   645 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.533 ppm2      7.995 CV     1
 ASSI {  647}
   (( segid "    " and resid 95   and name HB1 ))
   (( segid "    " and resid 95   and name HN  ))
      6.000     4.500     0.000 peak   647 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.263 ppm2      9.211 CV     1
 ASSI {  652}
   (( segid "    " and resid 90   and name HA1 ))
   (( segid "    " and resid 50   and name HE21))
      6.000     4.500     0.000 peak   652 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.936 ppm2      7.106 CV     1
 ASSI {  659}
   (( segid "    " and resid 117  and name HB1 ))
   (( segid "    " and resid 117  and name HN  ))
      6.000     4.500     0.000 peak   659 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.525 ppm2      8.021 CV     1
 ASSI {  661}
   (( segid "    " and resid 117  and name HB1 ))
   (( segid "    " and resid 120  and name HD22))
      6.000     4.500     0.000 peak   661 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.521 ppm2      6.898 CV     1
 ASSI {  668}
   (( segid "    " and resid 46   and name HA2 ))
   (( segid "    " and resid 89   and name HE3 ))
      6.000     4.500     0.000 peak   668 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.676 ppm2      7.608 CV     1
 ASSI {  669}
   (( segid "    " and resid 144  and name HD2 ))
   (( segid "    " and resid 147  and name HN  ))
      6.000     4.500     0.000 peak   669 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.389 ppm2      7.470 CV     1
 ASSI {  670}
   (( segid "    " and resid 144  and name HD1 ))
   (( segid "    " and resid 147  and name HN  ))
      6.000     4.500     0.000 peak   670 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.274 ppm2      7.462 CV     1
 ASSI {  672}
   (( segid "    " and resid 34   and name HB2 ))
   (( segid "    " and resid 34   and name HN  ))
      6.000     4.500     0.000 peak   672 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.674 ppm2      9.182 CV     1
 ASSI {  673}
   (( segid "    " and resid 34   and name HB1 ))
   (( segid "    " and resid 34   and name HN  ))
      6.000     4.500     0.000 peak   673 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.552 ppm2      9.185 CV     1
 ASSI {  677}
   (( segid "    " and resid 155  and name HB2 ))
   (( segid "    " and resid 155  and name HN  ))
      6.000     4.500     0.000 peak   677 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.443 ppm2      7.700 CV     1
 OR {  677}
   (( segid "    " and resid 155  and name HB1 ))
   (( segid "    " and resid 155  and name HN  ))
 ASSI {  682}
   (( segid "    " and resid 125  and name HB2 ))
   (( segid "    " and resid 125  and name HN  ))
      6.000     4.500     0.000 peak   682 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.067 ppm2      7.630 CV     1
 ASSI {  683}
   (( segid "    " and resid 41   and name HD1 ))
   (( segid "    " and resid 41   and name HN  ))
      6.000     4.500     0.000 peak   683 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.193 ppm2      8.848 CV     1
 ASSI {  684}
   (( segid "    " and resid 75   and name HD1 ))
   (( segid "    " and resid 75   and name HN  ))
      6.000     4.500     0.000 peak   684 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.194 ppm2      7.704 CV     1
 ASSI {  689}
   (( segid "    " and resid 41   and name HD2 ))
   (( segid "    " and resid 41   and name HA  ))
      6.000     4.500     0.000 peak   689 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.840 ppm2      6.088 CV     1
 ASSI {  691}
   (( segid "    " and resid 64   and name HB1 ))
   (( segid "    " and resid 65   and name HN  ))
      6.000     4.500     0.000 peak   691 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.497 ppm2      8.386 CV     1
 ASSI {  696}
   (( segid "    " and resid 41   and name HD1 ))
   (( segid "    " and resid 156  and name HD22))
      6.000     4.500     0.000 peak   696 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.179 ppm2      7.116 CV     1
 ASSI {  701}
   (( segid "    " and resid 135  and name HB2 ))
   (( segid "    " and resid 135  and name HN  ))
      6.000     4.500     0.000 peak   701 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.315 ppm2      7.232 CV     1
 ASSI {  712}
   (( segid "    " and resid 150  and name HD1 ))
   (( segid "    " and resid 150  and name HN  ))
      6.000     4.500     0.000 peak   712 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.115 ppm2      7.852 CV     1
 ASSI {  714}
   (( segid "    " and resid 150  and name HD1 ))
   (( segid "    " and resid 121  and name HN  ))
      6.000     4.500     0.000 peak   714 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.117 ppm2      6.985 CV     1
 ASSI {  719}
   (( segid "    " and resid 143  and name HB1 ))
   (( segid "    " and resid 144  and name HN  ))
      6.000     4.500     0.000 peak   719 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.213 ppm2      9.599 CV     1
 ASSI {  720}
   (( segid "    " and resid 128  and name HB2 ))
   (( segid "    " and resid 128  and name HN  ))
      6.000     4.500     0.000 peak   720 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.039 ppm2      6.569 CV     1
 ASSI {  723}
   (( segid "    " and resid 45   and name HB1 ))
   (( segid "    " and resid 50   and name HE21))
      6.000     4.500     0.000 peak   723 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.613 ppm2      7.109 CV     1
 OR {  723}
   (( segid "    " and resid 45   and name HB2 ))
   (( segid "    " and resid 50   and name HE21))
 ASSI {  726}
   (( segid "    " and resid 135  and name HB2 ))
   (( segid "    " and resid 143  and name HN  ))
      6.000     4.500     0.000 peak   726 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.326 ppm2      8.425 CV     1
 ASSI {  729}
   (( segid "    " and resid 128  and name HB1 ))
   (( segid "    " and resid 129  and name HN  ))
      6.000     4.500     0.000 peak   729 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.231 ppm2      8.690 CV     1
 ASSI {  732}
   (( segid "    " and resid 27   and name HB2 ))
   (( segid "    " and resid 26   and name HN  ))
      6.000     4.500     0.000 peak   732 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.941 ppm2      7.500 CV     1
 ASSI {  744}
   (( segid "    " and resid 78   and name HB1 ))
   (( segid "    " and resid 79   and name HN  ))
      6.000     4.500     0.000 peak   744 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.959 ppm2      8.793 CV     1
 ASSI {  745}
   (( segid "    " and resid 78   and name HB1 ))
   (( segid "    " and resid 78   and name HN  ))
      6.000     4.500     0.000 peak   745 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.957 ppm2      7.993 CV     1
 ASSI {  746}
   (( segid "    " and resid 78   and name HB2 ))
   (( segid "    " and resid 79   and name HN  ))
      6.000     4.500     0.000 peak   746 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.794 ppm2      8.796 CV     1
 ASSI {  747}
   (( segid "    " and resid 78   and name HB2 ))
   (( segid "    " and resid 78   and name HN  ))
      6.000     4.500     0.000 peak   747 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.788 ppm2      7.990 CV     1
 ASSI {  751}
   (( segid "    " and resid 22   and name HB1 ))
   (( segid "    " and resid 23   and name HN  ))
      6.000     4.500     0.000 peak   751 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.072 ppm2      7.425 CV     1
 ASSI {  752}
   (( segid "    " and resid 22   and name HB1 ))
   (( segid "    " and resid 22   and name HN  ))
      6.000     4.500     0.000 peak   752 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.065 ppm2      8.512 CV     1
 ASSI {  753}
   (( segid "    " and resid 5    and name HB  ))
   (( segid "    " and resid 4    and name HA  ))
      6.000     4.500     0.000 peak   753 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.783 ppm2      5.564 CV     1
 ASSI {  756}
   (( segid "    " and resid 22   and name HB2 ))
   (( segid "    " and resid 22   and name HN  ))
      6.000     4.500     0.000 peak   756 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.467 ppm2      8.515 CV     1
 ASSI {  757}
   (( segid "    " and resid 22   and name HB2 ))
   (( segid "    " and resid 23   and name HN  ))
      6.000     4.500     0.000 peak   757 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.465 ppm2      7.427 CV     1
 ASSI {  763}
   (( segid "    " and resid 101  and name HB2 ))
   (  segid "    " and resid 101  and name HD% )
      6.000     4.500     0.000 peak   763 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.334 ppm2      7.038 CV     1
 ASSI {  764}
   (( segid "    " and resid 40   and name HB2 ))
   (  segid "    " and resid 40   and name HD% )
      6.000     4.500     0.000 peak   764 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.060 ppm2      7.051 CV     1
 ASSI {  765}
   (( segid "    " and resid 40   and name HB2 ))
   (( segid "    " and resid 40   and name HN  ))
      6.000     4.500     0.000 peak   765 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.048 ppm2      9.120 CV     1
 ASSI {  767}
   (( segid "    " and resid 53   and name HB2 ))
   (  segid "    " and resid 53   and name HD% )
      6.000     4.500     0.000 peak   767 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.900 ppm2      6.558 CV     1
 ASSI {  770}
   (( segid "    " and resid 153  and name HB2 ))
   (( segid "    " and resid 154  and name HN  ))
      6.000     4.500     0.000 peak   770 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.593 ppm2      8.319 CV     1
 ASSI {  772}
   (( segid "    " and resid 97   and name HB1 ))
   (( segid "    " and resid 115  and name HD2 ))
      6.000     6.000     0.000 peak   772 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.528 ppm2      6.799 CV     1
 ASSI {  774}
   (( segid "    " and resid 97   and name HB2 ))
   (( segid "    " and resid 97   and name HN  ))
      6.000     4.500     0.000 peak   774 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.374 ppm2      8.997 CV     1
 ASSI {  776}
   (( segid "    " and resid 101  and name HB1 ))
   (  segid "    " and resid 101  and name HD% )
      6.000     4.500     0.000 peak   776 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.325 ppm2      7.032 CV     1
 ASSI {  777}
   (( segid "    " and resid 53   and name HB1 ))
   (  segid "    " and resid 53   and name HD% )
      6.000     4.500     0.000 peak   777 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.257 ppm2      6.556 CV     1
 ASSI {  778}
   (( segid "    " and resid 53   and name HB1 ))
   (( segid "    " and resid 53   and name HN  ))
      6.000     4.500     0.000 peak   778 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.246 ppm2      8.850 CV     1
 ASSI {  781}
   (( segid "    " and resid 40   and name HB2 ))
   (( segid "    " and resid 41   and name HN  ))
      6.000     4.500     0.000 peak   781 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.052 ppm2      8.841 CV     1
 ASSI {  782}
   (( segid "    " and resid 40   and name HB2 ))
   (( segid "    " and resid 40   and name HA  ))
      6.000     4.500     0.000 peak   782 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.053 ppm2      5.258 CV     1
 ASSI {  783}
   (( segid "    " and resid 153  and name HB1 ))
   (( segid "    " and resid 153  and name HN  ))
      6.000     4.500     0.000 peak   783 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.766 ppm2      8.739 CV     1
 ASSI {  785}
   (( segid "    " and resid 40   and name HB1 ))
   (  segid "    " and resid 40   and name HD% )
      6.000     4.500     0.000 peak   785 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.694 ppm2      7.046 CV     1
 ASSI {  789}
   (( segid "    " and resid 153  and name HB2 ))
   (( segid "    " and resid 153  and name HN  ))
      6.000     4.500     0.000 peak   789 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.593 ppm2      8.737 CV     1
 ASSI {  790}
   (( segid "    " and resid 52   and name HB2 ))
   (( segid "    " and resid 52   and name HN  ))
      6.000     4.500     0.000 peak   790 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.433 ppm2      8.042 CV     1
 ASSI {  791}
   (( segid "    " and resid 52   and name HB2 ))
   (( segid "    " and resid 53   and name HN  ))
      6.000     4.500     0.000 peak   791 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.427 ppm2      8.836 CV     1
 ASSI {  797}
   (( segid "    " and resid 4    and name HB1 ))
   (( segid "    " and resid 100  and name HN  ))
      6.000     4.500     0.000 peak   797 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.731 ppm2      7.545 CV     1
 ASSI {  798}
   (( segid "    " and resid 4    and name HB2 ))
   (( segid "    " and resid 4    and name HN  ))
      6.000     4.500     0.000 peak   798 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.668 ppm2      8.652 CV     1
 ASSI {  799}
   (( segid "    " and resid 119  and name HE1 ))
   (  segid "    " and resid 137  and name HD% )
      6.000     4.500     0.000 peak   799 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.303 ppm2      7.336 CV     1
 ASSI {  800}
   (( segid "    " and resid 7    and name HB  ))
   (( segid "    " and resid 7    and name HN  ))
      6.000     4.500     0.000 peak   800 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.471 ppm2      8.973 CV     1
 ASSI {  809}
   (( segid "    " and resid 4    and name HB1 ))
   (  segid "    " and resid 4    and name HD% )
      6.000     4.500     0.000 peak   809 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.750 ppm2      6.825 CV     1
 ASSI {  811}
   (( segid "    " and resid 4    and name HB2 ))
   (( segid "    " and resid 100  and name HN  ))
      6.000     4.500     0.000 peak   811 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.687 ppm2      7.528 CV     1
 ASSI {  816}
   (( segid "    " and resid 69   and name HB1 ))
   (( segid "    " and resid 70   and name HN  ))
      6.000     4.500     0.000 peak   816 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.218 ppm2      7.826 CV     1
 ASSI {  822}
   (( segid "    " and resid 107  and name HB1 ))
   (( segid "    " and resid 107  and name HN  ))
      6.000     4.500     0.000 peak   822 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.755 ppm2      9.217 CV     1
 ASSI {  823}
   (( segid "    " and resid 107  and name HB1 ))
   (( segid "    " and resid 108  and name HN  ))
      6.000     4.500     0.000 peak   823 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.755 ppm2      8.982 CV     1
 ASSI {  824}
   (( segid "    " and resid 107  and name HB1 ))
   (( segid "    " and resid 107  and name HD21))
      6.000     4.500     0.000 peak   824 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.754 ppm2      7.811 CV     1
 ASSI {  825}
   (( segid "    " and resid 107  and name HB1 ))
   (( segid "    " and resid 107  and name HA  ))
      6.000     4.500     0.000 peak   825 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.754 ppm2      5.522 CV     1
 ASSI {  826}
   (( segid "    " and resid 107  and name HB2 ))
   (( segid "    " and resid 107  and name HN  ))
      6.000     4.500     0.000 peak   826 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.684 ppm2      9.216 CV     1
 ASSI {  829}
   (( segid "    " and resid 107  and name HB2 ))
   (( segid "    " and resid 107  and name HA  ))
      6.000     4.500     0.000 peak   829 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.685 ppm2      5.522 CV     1
 ASSI {  832}
   (( segid "    " and resid 152  and name HB2 ))
   (  segid "    " and resid 152  and name HD% )
      6.000     4.500     0.000 peak   832 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.386 ppm2      7.065 CV     1
 ASSI {  836}
   (( segid "    " and resid 129  and name HB2 ))
   (  segid "    " and resid 129  and name HD% )
      6.000     4.500     0.000 peak   836 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.185 ppm2      7.194 CV     1
 ASSI {  838}
   (( segid "    " and resid 129  and name HB1 ))
   (  segid "    " and resid 129  and name HD% )
      6.000     4.500     0.000 peak   838 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.890 ppm2      7.211 CV     1
 ASSI {  842}
   (( segid "    " and resid 152  and name HB1 ))
   (  segid "    " and resid 152  and name HD% )
      6.000     4.500     0.000 peak   842 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.674 ppm2      7.074 CV     1
 ASSI {  843}
   (( segid "    " and resid 103  and name HB2 ))
   (( segid "    " and resid 103  and name HD22))
      6.000     4.500     0.000 peak   843 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.682 ppm2      6.991 CV     1
 ASSI {  845}
   (( segid "    " and resid 103  and name HB1 ))
   (( segid "    " and resid 103  and name HN  ))
      6.000     4.500     0.000 peak   845 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.008 ppm2      9.261 CV     1
 ASSI {  851}
   (( segid "    " and resid 103  and name HB2 ))
   (( segid "    " and resid 103  and name HN  ))
      6.000     4.500     0.000 peak   851 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.682 ppm2      9.264 CV     1
 ASSI {  852}
   (( segid "    " and resid 103  and name HB2 ))
   (( segid "    " and resid 104  and name HN  ))
      6.000     4.500     0.000 peak   852 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.683 ppm2      8.356 CV     1
 ASSI {  855}
   (( segid "    " and resid 10   and name HB1 ))
   (( segid "    " and resid 10   and name HD21))
      6.000     4.500     0.000 peak   855 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.646 ppm2      6.873 CV     1
 ASSI {  856}
   (( segid "    " and resid 49   and name HB2 ))
   (( segid "    " and resid 50   and name HN  ))
      6.000     4.500     0.000 peak   856 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.732 ppm2      7.823 CV     1
 ASSI {  857}
   (( segid "    " and resid 49   and name HB2 ))
   (( segid "    " and resid 49   and name HN  ))
      6.000     4.500     0.000 peak   857 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.717 ppm2      8.878 CV     1
 ASSI {  864}
   (( segid "    " and resid 137  and name HB2 ))
   (  segid "    " and resid 137  and name HD% )
      6.000     4.500     0.000 peak   864 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.392 ppm2      7.342 CV     1
 ASSI {  866}
   (( segid "    " and resid 137  and name HB1 ))
   (( segid "    " and resid 141  and name HN  ))
      6.000     4.500     0.000 peak   866 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.268 ppm2      8.010 CV     1
 ASSI {  867}
   (( segid "    " and resid 137  and name HB1 ))
   (  segid "    " and resid 137  and name HD% )
      6.000     4.500     0.000 peak   867 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.261 ppm2      7.331 CV     1
 ASSI {  871}
   (( segid "    " and resid 33   and name HB  ))
   (( segid "    " and resid 34   and name HN  ))
      6.000     4.500     0.000 peak   871 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.780 ppm2      9.185 CV     1
 ASSI {  872}
   (( segid "    " and resid 116  and name HB1 ))
   (( segid "    " and resid 116  and name HN  ))
      6.000     4.500     0.000 peak   872 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.077 ppm2      8.407 CV     1
 ASSI {  873}
   (( segid "    " and resid 116  and name HB1 ))
   (  segid "    " and resid 116  and name HD% )
      6.000     4.500     0.000 peak   873 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.082 ppm2      6.656 CV     1
 ASSI {  874}
   (( segid "    " and resid 116  and name HB2 ))
   (  segid "    " and resid 116  and name HD% )
      6.000     4.500     0.000 peak   874 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.989 ppm2      6.654 CV     1
 ASSI {  877}
   (( segid "    " and resid 67   and name HG1 ))
   (( segid "    " and resid 68   and name HN  ))
      6.000     4.500     0.000 peak   877 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.154 ppm2      6.878 CV     1
 ASSI {  878}
   (( segid "    " and resid 67   and name HG2 ))
   (( segid "    " and resid 67   and name HN  ))
      6.000     4.500     0.000 peak   878 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.979 ppm2      8.723 CV     1
 ASSI {  879}
   (( segid "    " and resid 67   and name HG2 ))
   (( segid "    " and resid 68   and name HN  ))
      6.000     4.500     0.000 peak   879 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.984 ppm2      6.871 CV     1
 ASSI {  882}
   (( segid "    " and resid 146  and name HB  ))
   (( segid "    " and resid 145  and name HN  ))
      6.000     4.500     0.000 peak   882 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.786 ppm2      6.746 CV     1
 ASSI {  889}
   (( segid "    " and resid 39   and name HB1 ))
   (  segid "    " and resid 39   and name HD% )
      6.000     4.500     0.000 peak   889 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.788 ppm2      6.964 CV     1
 ASSI {  890}
   (( segid "    " and resid 39   and name HB1 ))
   (( segid "    " and resid 39   and name HA  ))
      6.000     4.500     0.000 peak   890 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.786 ppm2      5.269 CV     1
 ASSI {  896}
   (( segid "    " and resid 76   and name HB  ))
   (( segid "    " and resid 77   and name HN  ))
      6.000     4.500     0.000 peak   896 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.856 ppm2      8.040 CV     1
 ASSI {  905}
   (( segid "    " and resid 98   and name HB  ))
   (( segid "    " and resid 71   and name HN  ))
      6.000     4.500     0.000 peak   905 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.119 ppm2      7.775 CV     1
 ASSI {  908}
   (( segid "    " and resid 141  and name HG2 ))
   (( segid "    " and resid 142  and name HN  ))
      6.000     4.500     0.000 peak   908 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.289 ppm2      9.274 CV     1
 ASSI {  909}
   (( segid "    " and resid 141  and name HG2 ))
   (( segid "    " and resid 141  and name HN  ))
      6.000     4.500     0.000 peak   909 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.286 ppm2      8.004 CV     1
 ASSI {  910}
   (( segid "    " and resid 141  and name HG1 ))
   (( segid "    " and resid 142  and name HN  ))
      6.000     4.500     0.000 peak   910 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.056 ppm2      9.270 CV     1
 ASSI {  919}
   (( segid "    " and resid 16   and name HG2 ))
   (( segid "    " and resid 16   and name HN  ))
      6.000     4.500     0.000 peak   919 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.388 ppm2      7.278 CV     1
 ASSI {  920}
   (( segid "    " and resid 16   and name HG1 ))
   (( segid "    " and resid 19   and name HD21))
      6.000     4.500     0.000 peak   920 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.362 ppm2      7.411 CV     1
 ASSI {  922}
   (( segid "    " and resid 16   and name HG1 ))
   (( segid "    " and resid 16   and name HN  ))
      6.000     4.500     0.000 peak   922 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.346 ppm2      7.277 CV     1
 ASSI {  923}
   (( segid "    " and resid 104  and name HG2 ))
   (( segid "    " and resid 104  and name HN  ))
      6.000     4.500     0.000 peak   923 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.603 ppm2      8.344 CV     1
 ASSI {  924}
   (( segid "    " and resid 104  and name HG2 ))
   (( segid "    " and resid 103  and name HN  ))
      6.000     4.500     0.000 peak   924 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.601 ppm2      9.263 CV     1
 ASSI {  926}
   (( segid "    " and resid 104  and name HG2 ))
   (  segid "    " and resid 101  and name HD% )
      6.000     4.500     0.000 peak   926 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.601 ppm2      7.037 CV     1
 ASSI {  929}
   (( segid "    " and resid 104  and name HG1 ))
   (( segid "    " and resid 103  and name HN  ))
      6.000     4.500     0.000 peak   929 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.529 ppm2      9.261 CV     1
 ASSI {  931}
   (( segid "    " and resid 104  and name HG1 ))
   (( segid "    " and resid 105  and name HN  ))
      6.000     4.500     0.000 peak   931 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.525 ppm2      8.190 CV     1
 ASSI {  932}
   (( segid "    " and resid 104  and name HG1 ))
   (  segid "    " and resid 101  and name HD% )
      6.000     4.500     0.000 peak   932 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.530 ppm2      7.043 CV     1
 ASSI {  934}
   (( segid "    " and resid 30   and name HG2 ))
   (( segid "    " and resid 30   and name HN  ))
      6.000     4.500     0.000 peak   934 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.180 ppm2      8.918 CV     1
 ASSI {  935}
   (( segid "    " and resid 30   and name HG2 ))
   (( segid "    " and resid 31   and name HN  ))
      6.000     4.500     0.000 peak   935 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.182 ppm2      7.273 CV     1
 ASSI {  937}
   (( segid "    " and resid 58   and name HB  ))
   (( segid "    " and resid 5    and name HN  ))
      6.000     4.500     0.000 peak   937 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.977 ppm2      9.503 CV     1
 ASSI {  938}
   (( segid "    " and resid 77   and name HG2 ))
   (( segid "    " and resid 77   and name HN  ))
      6.000     4.500     0.000 peak   938 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.863 ppm2      8.022 CV     1
 ASSI {  940}
   (( segid "    " and resid 80   and name HG1 ))
   (( segid "    " and resid 80   and name HE22))
      6.000     4.500     0.000 peak   940 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.504 ppm2      7.914 CV     1
 ASSI {  946}
   (( segid "    " and resid 68   and name HG2 ))
   (( segid "    " and resid 72   and name HD2 ))
      6.000     4.500     0.000 peak   946 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.415 ppm2      7.225 CV     1
 OR {  946}
   (( segid "    " and resid 68   and name HG1 ))
   (( segid "    " and resid 72   and name HD2 ))
 ASSI {  948}
   (( segid "    " and resid 109  and name HG1 ))
   (( segid "    " and resid 109  and name HN  ))
      6.000     4.500     0.000 peak   948 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.341 ppm2      8.884 CV     1
 ASSI {  950}
   (( segid "    " and resid 80   and name HG2 ))
   (( segid "    " and resid 80   and name HE22))
      6.000     4.500     0.000 peak   950 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.269 ppm2      7.910 CV     1
 ASSI {  952}
   (( segid "    " and resid 80   and name HG2 ))
   (( segid "    " and resid 80   and name HE21))
      6.000     4.500     0.000 peak   952 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.258 ppm2      7.443 CV     1
 ASSI {  958}
   (( segid "    " and resid 77   and name HG1 ))
   (( segid "    " and resid 77   and name HN  ))
      6.000     4.500     0.000 peak   958 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.956 ppm2      8.024 CV     1
 ASSI {  960}
   (( segid "    " and resid 68   and name HG1 ))
   (( segid "    " and resid 71   and name HD21))
      6.000     4.500     0.000 peak   960 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.415 ppm2      7.458 CV     1
 OR {  960}
   (( segid "    " and resid 68   and name HG2 ))
   (( segid "    " and resid 71   and name HD21))
 ASSI {  968}
   (( segid "    " and resid 134  and name HG2 ))
   (( segid "    " and resid 135  and name HN  ))
      6.000     4.500     0.000 peak   968 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.319 ppm2      7.214 CV     1
 ASSI {  969}
   (( segid "    " and resid 134  and name HG2 ))
   (( segid "    " and resid 134  and name HN  ))
      6.000     4.500     0.000 peak   969 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.315 ppm2      8.299 CV     1
 ASSI {  972}
   (( segid "    " and resid 61   and name HG2 ))
   (( segid "    " and resid 61   and name HN  ))
      6.000     4.500     0.000 peak   972 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.933 ppm2      8.810 CV     1
 ASSI {  977}
   (( segid "    " and resid 36   and name HB  ))
   (( segid "    " and resid 37   and name HN  ))
      6.000     4.500     0.000 peak   977 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.967 ppm2      9.137 CV     1
 ASSI {  985}
   (( segid "    " and resid 48   and name HG2 ))
   (( segid "    " and resid 48   and name HN  ))
      6.000     4.500     0.000 peak   985 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.557 ppm2      8.584 CV     1
 ASSI {  986}
   (( segid "    " and resid 48   and name HG1 ))
   (( segid "    " and resid 93   and name HN  ))
      6.000     4.500     0.000 peak   986 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.484 ppm2      8.738 CV     1
 ASSI {  987}
   (( segid "    " and resid 48   and name HG1 ))
   (( segid "    " and resid 48   and name HN  ))
      6.000     4.500     0.000 peak   987 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.475 ppm2      8.581 CV     1
 ASSI {  988}
   (( segid "    " and resid 48   and name HG1 ))
   (( segid "    " and resid 48   and name HE22))
      6.000     4.500     0.000 peak   988 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.472 ppm2      7.769 CV     1
 ASSI {  989}
   (( segid "    " and resid 48   and name HG1 ))
   (( segid "    " and resid 48   and name HE21))
      6.000     4.500     0.000 peak   989 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.473 ppm2      7.046 CV     1
 ASSI {  993}
   (( segid "    " and resid 99   and name HB1 ))
   (( segid "    " and resid 99   and name HN  ))
      6.000     4.500     0.000 peak   993 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.145 ppm2      9.596 CV     1
 ASSI {  994}
   (( segid "    " and resid 99   and name HB1 ))
   (( segid "    " and resid 100  and name HN  ))
      6.000     4.500     0.000 peak   994 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.138 ppm2      7.543 CV     1
 ASSI {  997}
   (( segid "    " and resid 79   and name HG2 ))
   (( segid "    " and resid 79   and name HE22))
      6.000     4.500     0.000 peak   997 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.696 ppm2      7.800 CV     1
 ASSI {  998}
   (( segid "    " and resid 79   and name HG2 ))
   (( segid "    " and resid 79   and name HN  ))
      6.000     4.500     0.000 peak   998 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.681 ppm2      8.796 CV     1
 ASSI {  999}
   (( segid "    " and resid 79   and name HG2 ))
   (( segid "    " and resid 80   and name HN  ))
      6.000     4.500     0.000 peak   999 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.682 ppm2      7.653 CV     1
 ASSI { 1001}
   (( segid "    " and resid 79   and name HG2 ))
   (( segid "    " and resid 79   and name HE21))
      6.000     4.500     0.000 peak  1001 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.675 ppm2      6.996 CV     1
 ASSI { 1003}
   (( segid "    " and resid 79   and name HG1 ))
   (( segid "    " and resid 81   and name HN  ))
      6.000     4.500     0.000 peak  1003 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.588 ppm2      7.936 CV     1
 ASSI { 1004}
   (( segid "    " and resid 79   and name HG1 ))
   (( segid "    " and resid 80   and name HN  ))
      6.000     4.500     0.000 peak  1004 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.587 ppm2      7.646 CV     1
 ASSI { 1012}
   (( segid "    " and resid 145  and name HG2 ))
   (( segid "    " and resid 146  and name HN  ))
      6.000     4.500     0.000 peak  1012 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.490 ppm2      7.862 CV     1
 OR { 1012}
   (( segid "    " and resid 145  and name HG1 ))
   (( segid "    " and resid 146  and name HN  ))
 ASSI { 1017}
   (( segid "    " and resid 142  and name HB1 ))
   (( segid "    " and resid 142  and name HN  ))
      6.000     4.500     0.000 peak  1017 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.099 ppm2      9.262 CV     1
 ASSI { 1019}
   (( segid "    " and resid 14   and name HB2 ))
   (( segid "    " and resid 15   and name HN  ))
      6.000     4.500     0.000 peak  1019 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.152 ppm2      8.176 CV     1
 ASSI { 1020}
   (( segid "    " and resid 99   and name HG1 ))
   (( segid "    " and resid 99   and name HN  ))
      6.000     4.500     0.000 peak  1020 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.193 ppm2      9.594 CV     1
 ASSI { 1026}
   (( segid "    " and resid 41   and name HB2 ))
   (( segid "    " and resid 158  and name HE3 ))
      6.000     4.500     0.000 peak  1026 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.747 ppm2      7.404 CV     1
 OR { 1026}
   (( segid "    " and resid 41   and name HB1 ))
   (( segid "    " and resid 158  and name HE3 ))
 ASSI { 1029}
   (( segid "    " and resid 51   and name HB2 ))
   (( segid "    " and resid 52   and name HN  ))
      6.000     4.500     0.000 peak  1029 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.454 ppm2      8.039 CV     1
 ASSI { 1030}
   (( segid "    " and resid 51   and name HB1 ))
   (( segid "    " and resid 52   and name HN  ))
      6.000     4.500     0.000 peak  1030 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.160 ppm2      8.047 CV     1
 ASSI { 1032}
   (( segid "    " and resid 105  and name HB  ))
   (( segid "    " and resid 106  and name HN  ))
      6.000     4.500     0.000 peak  1032 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.022 ppm2      9.411 CV     1
 ASSI { 1036}
   (( segid "    " and resid 142  and name HG1 ))
   (( segid "    " and resid 142  and name HN  ))
      6.000     4.500     0.000 peak  1036 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.817 ppm2      9.268 CV     1
 ASSI { 1039}
   (( segid "    " and resid 29   and name HB2 ))
   (( segid "    " and resid 30   and name HN  ))
      6.000     4.500     0.000 peak  1039 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.397 ppm2      8.912 CV     1
 ASSI { 1048}
   (( segid "    " and resid 47   and name HB1 ))
   (( segid "    " and resid 50   and name HE21))
      6.000     6.000     0.000 peak  1048 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.449 ppm2      7.113 CV     1
 ASSI { 1050}
   (( segid "    " and resid 47   and name HB1 ))
   (( segid "    " and resid 50   and name HE22))
      6.000     4.500     0.000 peak  1050 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.437 ppm2      8.300 CV     1
 ASSI { 1051}
   (( segid "    " and resid 85   and name HB1 ))
   (( segid "    " and resid 85   and name HN  ))
      6.000     4.500     0.000 peak  1051 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.993 ppm2      8.299 CV     1
 ASSI { 1053}
   (( segid "    " and resid 23   and name HB2 ))
   (( segid "    " and resid 22   and name HN  ))
      6.000     4.500     0.000 peak  1053 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.983 ppm2      8.532 CV     1
 OR { 1053}
   (( segid "    " and resid 23   and name HB1 ))
   (( segid "    " and resid 22   and name HN  ))
 ASSI { 1059}
   (( segid "    " and resid 115  and name HB2 ))
   (( segid "    " and resid 115  and name HD2 ))
      6.000     4.500     0.000 peak  1059 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.777 ppm2      6.799 CV     1
 ASSI { 1062}
   (( segid "    " and resid 72   and name HB1 ))
   (( segid "    " and resid 72   and name HD2 ))
      6.000     4.500     0.000 peak  1062 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.441 ppm2      7.213 CV     1
 ASSI { 1064}
   (( segid "    " and resid 72   and name HB2 ))
   (( segid "    " and resid 72   and name HD2 ))
      6.000     4.500     0.000 peak  1064 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.957 ppm2      7.218 CV     1
 ASSI { 1067}
   (( segid "    " and resid 91   and name HG2 ))
   (( segid "    " and resid 10   and name HD22))
      6.000     4.500     0.000 peak  1067 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.089 ppm2      6.474 CV     1
 OR { 1067}
   (( segid "    " and resid 91   and name HG1 ))
   (( segid "    " and resid 10   and name HD22))
 ASSI { 1072}
   (( segid "    " and resid 44   and name HB2 ))
   (( segid "    " and resid 50   and name HE21))
      6.000     4.500     0.000 peak  1072 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.943 ppm2      7.094 CV     1
 OR { 1072}
   (( segid "    " and resid 44   and name HB1 ))
   (( segid "    " and resid 50   and name HE21))
 ASSI { 1073}
   (( segid "    " and resid 44   and name HB1 ))
   (  segid "    " and resid 53   and name HD% )
      6.000     4.500     0.000 peak  1073 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.943 ppm2      6.535 CV     1
 OR { 1073}
   (( segid "    " and resid 44   and name HB2 ))
   (  segid "    " and resid 53   and name HD% )
 ASSI { 1079}
   (( segid "    " and resid 119  and name HB1 ))
   (( segid "    " and resid 119  and name HN  ))
      6.000     4.500     0.000 peak  1079 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.509 ppm2      8.116 CV     1
 ASSI { 1085}
   (( segid "    " and resid 91   and name HB2 ))
   (( segid "    " and resid 10   and name HD22))
      6.000     4.500     0.000 peak  1085 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.813 ppm2      6.485 CV     1
 OR { 1085}
   (( segid "    " and resid 91   and name HB1 ))
   (( segid "    " and resid 10   and name HD22))
 ASSI { 1087}
   (( segid "    " and resid 32   and name HB2 ))
   (( segid "    " and resid 32   and name HD2 ))
      6.000     4.500     0.000 peak  1087 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.342 ppm2      7.003 CV     1
 ASSI { 1091}
   (( segid "    " and resid 32   and name HB1 ))
   (( segid "    " and resid 32   and name HD2 ))
      6.000     4.500     0.000 peak  1091 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.126 ppm2      7.003 CV     1
 ASSI { 1104}
   (( segid "    " and resid 104  and name HB2 ))
   (  segid "    " and resid 101  and name HD% )
      6.000     4.500     0.000 peak  1104 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.395 ppm2      7.045 CV     1
 ASSI { 1108}
   (( segid "    " and resid 104  and name HB1 ))
   (  segid "    " and resid 101  and name HD% )
      6.000     4.500     0.000 peak  1108 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.191 ppm2      7.038 CV     1
 ASSI { 1112}
   (( segid "    " and resid 133  and name HB2 ))
   (  segid "    " and resid 129  and name HD% )
      6.000     4.500     0.000 peak  1112 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.594 ppm2      7.211 CV     1
 ASSI { 1115}
   (( segid "    " and resid 127  and name HB2 ))
   (  segid "    " and resid 40   and name HD% )
      6.000     4.500     0.000 peak  1115 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.707 ppm2      7.035 CV     1
 ASSI { 1119}
   (( segid "    " and resid 144  and name HB1 ))
   (( segid "    " and resid 144  and name HN  ))
      6.000     4.500     0.000 peak  1119 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.129 ppm2      9.591 CV     1
 ASSI { 1120}
   (( segid "    " and resid 144  and name HB1 ))
   (( segid "    " and resid 147  and name HN  ))
      6.000     4.500     0.000 peak  1120 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.129 ppm2      7.477 CV     1
 ASSI { 1121}
   (( segid "    " and resid 144  and name HB1 ))
   (  segid "    " and resid 129  and name HD% )
      6.000     4.500     0.000 peak  1121 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.127 ppm2      7.207 CV     1
 ASSI { 1122}
   (( segid "    " and resid 144  and name HB1 ))
   (( segid "    " and resid 145  and name HN  ))
      6.000     4.500     0.000 peak  1122 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.127 ppm2      6.749 CV     1
 ASSI { 1123}
   (( segid "    " and resid 127  and name HB1 ))
   (  segid "    " and resid 40   and name HD% )
      6.000     4.500     0.000 peak  1123 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.955 ppm2      7.043 CV     1
 ASSI { 1125}
   (( segid "    " and resid 127  and name HB1 ))
   (( segid "    " and resid 128  and name HN  ))
      6.000     4.500     0.000 peak  1125 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.945 ppm2      6.567 CV     1
 ASSI { 1130}
   (( segid "    " and resid 144  and name HB2 ))
   (( segid "    " and resid 145  and name HN  ))
      6.000     4.500     0.000 peak  1130 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.808 ppm2      6.752 CV     1
 ASSI { 1138}
   (( segid "    " and resid 148  and name HB2 ))
   (( segid "    " and resid 148  and name HD2 ))
      6.000     4.500     0.000 peak  1138 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.255 ppm2      7.011 CV     1
 ASSI { 1141}
   (( segid "    " and resid 148  and name HB1 ))
   (( segid "    " and resid 148  and name HN  ))
      6.000     4.500     0.000 peak  1141 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.189 ppm2      7.578 CV     1
 ASSI { 1143}
   (( segid "    " and resid 148  and name HB1 ))
   (( segid "    " and resid 148  and name HD2 ))
      6.000     4.500     0.000 peak  1143 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.192 ppm2      6.999 CV     1
 ASSI { 1145}
   (( segid "    " and resid 50   and name HB1 ))
   (( segid "    " and resid 10   and name HD21))
      6.000     4.500     0.000 peak  1145 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.023 ppm2      6.864 CV     1
 OR { 1145}
   (( segid "    " and resid 50   and name HB2 ))
   (( segid "    " and resid 10   and name HD21))
 ASSI { 1147}
   (( segid "    " and resid 141  and name HB2 ))
   (( segid "    " and resid 142  and name HN  ))
      6.000     4.500     0.000 peak  1147 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.876 ppm2      9.267 CV     1
 ASSI { 1148}
   (( segid "    " and resid 141  and name HB2 ))
   (( segid "    " and resid 141  and name HN  ))
      6.000     4.500     0.000 peak  1148 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.874 ppm2      8.002 CV     1
 ASSI { 1149}
   (( segid "    " and resid 141  and name HB2 ))
   (  segid "    " and resid 137  and name HD% )
      6.000     4.500     0.000 peak  1149 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.881 ppm2      7.332 CV     1
 ASSI { 1151}
   (( segid "    " and resid 141  and name HB1 ))
   (( segid "    " and resid 142  and name HN  ))
      6.000     4.500     0.000 peak  1151 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.775 ppm2      9.265 CV     1
 ASSI { 1152}
   (( segid "    " and resid 141  and name HB1 ))
   (( segid "    " and resid 140  and name HN  ))
      6.000     4.500     0.000 peak  1152 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.778 ppm2      8.370 CV     1
 ASSI { 1153}
   (( segid "    " and resid 141  and name HB1 ))
   (( segid "    " and resid 141  and name HN  ))
      6.000     4.500     0.000 peak  1153 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.778 ppm2      7.998 CV     1
 ASSI { 1154}
   (( segid "    " and resid 88   and name HB2 ))
   (( segid "    " and resid 89   and name HN  ))
      6.000     4.500     0.000 peak  1154 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.683 ppm2      9.332 CV     1
 ASSI { 1159}
   (( segid "    " and resid 18   and name HB  ))
   (( segid "    " and resid 19   and name HN  ))
      6.000     4.500     0.000 peak  1159 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.540 ppm2      8.118 CV     1
 ASSI { 1162}
   (( segid "    " and resid 66   and name HB2 ))
   (( segid "    " and resid 67   and name HN  ))
      6.000     4.500     0.000 peak  1162 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.285 ppm2      8.730 CV     1
 ASSI { 1165}
   (( segid "    " and resid 66   and name HB1 ))
   (  segid "    " and resid 101  and name HD% )
      6.000     4.500     0.000 peak  1165 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.552 ppm2      7.027 CV     1
 ASSI { 1173}
   (( segid "    " and resid 48   and name HB2 ))
   (( segid "    " and resid 93   and name HN  ))
      6.000     4.500     0.000 peak  1173 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.037 ppm2      8.737 CV     1
 ASSI { 1180}
   (( segid "    " and resid 61   and name HB1 ))
   (( segid "    " and resid 61   and name HN  ))
      6.000     4.500     0.000 peak  1180 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.761 ppm2      8.813 CV     1
 ASSI { 1183}
   (( segid "    " and resid 61   and name HB2 ))
   (( segid "    " and resid 32   and name HN  ))
      6.000     4.500     0.000 peak  1183 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.309 ppm2      8.998 CV     1
 ASSI { 1184}
   (( segid "    " and resid 66   and name HB1 ))
   (( segid "    " and resid 67   and name HN  ))
      6.000     4.500     0.000 peak  1184 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.552 ppm2      8.726 CV     1
 ASSI { 1186}
   (( segid "    " and resid 158  and name HB2 ))
   (( segid "    " and resid 158  and name HE3 ))
      6.000     4.500     0.000 peak  1186 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.075 ppm2      7.425 CV     1
 ASSI { 1187}
   (( segid "    " and resid 158  and name HB2 ))
   (( segid "    " and resid 158  and name HD1 ))
      6.000     4.500     0.000 peak  1187 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.072 ppm2      7.270 CV     1
 ASSI { 1189}
   (( segid "    " and resid 158  and name HB1 ))
   (( segid "    " and resid 158  and name HE3 ))
      6.000     4.500     0.000 peak  1189 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.769 ppm2      7.415 CV     1
 ASSI { 1190}
   (( segid "    " and resid 158  and name HB1 ))
   (( segid "    " and resid 158  and name HD1 ))
      6.000     4.500     0.000 peak  1190 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.767 ppm2      7.265 CV     1
 ASSI { 1193}
   (( segid "    " and resid 68   and name HB1 ))
   (( segid "    " and resid 67   and name HN  ))
      6.000     4.500     0.000 peak  1193 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.299 ppm2      8.711 CV     1
 OR { 1193}
   (( segid "    " and resid 68   and name HB2 ))
   (( segid "    " and resid 67   and name HN  ))
 ASSI { 1194}
   (( segid "    " and resid 68   and name HB1 ))
   (( segid "    " and resid 65   and name HN  ))
      6.000     4.500     0.000 peak  1194 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.280 ppm2      8.396 CV     1
 OR { 1194}
   (( segid "    " and resid 68   and name HB2 ))
   (( segid "    " and resid 65   and name HN  ))
 ASSI { 1196}
   (( segid "    " and resid 68   and name HB1 ))
   (( segid "    " and resid 68   and name HN  ))
      6.000     4.500     0.000 peak  1196 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.283 ppm2      6.888 CV     1
 OR { 1196}
   (( segid "    " and resid 68   and name HB2 ))
   (( segid "    " and resid 68   and name HN  ))
 ASSI { 1202}
   (( segid "    " and resid 61   and name HB1 ))
   (( segid "    " and resid 32   and name HN  ))
      6.000     4.500     0.000 peak  1202 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.764 ppm2      8.998 CV     1
 ASSI { 1203}
   (( segid "    " and resid 61   and name HB2 ))
   (( segid "    " and resid 62   and name HN  ))
      6.000     4.500     0.000 peak  1203 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.308 ppm2      9.212 CV     1
 ASSI { 1208}
   (( segid "    " and resid 16   and name HB2 ))
   (( segid "    " and resid 17   and name HN  ))
      6.000     4.500     0.000 peak  1208 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.170 ppm2      8.179 CV     1
 ASSI { 1212}
   (( segid "    " and resid 150  and name HB1 ))
   (( segid "    " and resid 150  and name HN  ))
      6.000     4.500     0.000 peak  1212 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.264 ppm2      7.852 CV     1
 ASSI { 1213}
   (( segid "    " and resid 150  and name HB1 ))
   (( segid "    " and resid 151  and name HN  ))
      6.000     4.500     0.000 peak  1213 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.266 ppm2      7.526 CV     1
 ASSI { 1214}
   (( segid "    " and resid 150  and name HB1 ))
   (  segid "    " and resid 152  and name HD% )
      6.000     4.500     0.000 peak  1214 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.267 ppm2      7.049 CV     1
 ASSI { 1219}
   (( segid "    " and resid 75   and name HB2 ))
   (( segid "    " and resid 75   and name HN  ))
      6.000     4.500     0.000 peak  1219 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.345 ppm2      7.723 CV     1
 ASSI { 1220}
   (( segid "    " and resid 75   and name HB2 ))
   (( segid "    " and resid 77   and name HN  ))
      6.000     4.500     0.000 peak  1220 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.336 ppm2      8.059 CV     1
 ASSI { 1224}
   (( segid "    " and resid 75   and name HB1 ))
   (( segid "    " and resid 77   and name HN  ))
      6.000     4.500     0.000 peak  1224 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.903 ppm2      8.040 CV     1
 ASSI { 1225}
   (( segid "    " and resid 75   and name HB1 ))
   (( segid "    " and resid 75   and name HN  ))
      6.000     4.500     0.000 peak  1225 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.910 ppm2      7.720 CV     1
 ASSI { 1226}
   (( segid "    " and resid 23   and name HD1 ))
   (( segid "    " and resid 23   and name HN  ))
      6.000     4.500     0.000 peak  1226 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.698 ppm2      7.427 CV     1
 ASSI { 1227}
   (( segid "    " and resid 33   and name HG12))
   (( segid "    " and resid 34   and name HN  ))
      6.000     4.500     0.000 peak  1227 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.597 ppm2      9.183 CV     1
 OR { 1227}
   (( segid "    " and resid 33   and name HG11))
   (( segid "    " and resid 34   and name HN  ))
 ASSI { 1235}
   (( segid "    " and resid 76   and name HG12))
   (( segid "    " and resid 77   and name HN  ))
      6.000     4.500     0.000 peak  1235 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.115 ppm2      8.042 CV     1
 OR { 1235}
   (( segid "    " and resid 76   and name HG11))
   (( segid "    " and resid 77   and name HN  ))
 ASSI { 1238}
   (( segid "    " and resid 23   and name HD1 ))
   (( segid "    " and resid 24   and name HN  ))
      6.000     4.500     0.000 peak  1238 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.701 ppm2      7.924 CV     1
 ASSI { 1240}
   (( segid "    " and resid 33   and name HG12))
   (( segid "    " and resid 61   and name HN  ))
      6.000     4.500     0.000 peak  1240 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.612 ppm2      8.790 CV     1
 OR { 1240}
   (( segid "    " and resid 33   and name HG11))
   (( segid "    " and resid 61   and name HN  ))
 ASSI { 1248}
   (( segid "    " and resid 145  and name HB1 ))
   (( segid "    " and resid 142  and name HN  ))
      6.000     4.500     0.000 peak  1248 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.327 ppm2      9.263 CV     1
 OR { 1248}
   (( segid "    " and resid 145  and name HB2 ))
   (( segid "    " and resid 142  and name HN  ))
 ASSI { 1250}
   (( segid "    " and resid 134  and name HB1 ))
   (( segid "    " and resid 134  and name HN  ))
      6.000     4.500     0.000 peak  1250 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.317 ppm2      8.293 CV     1
 ASSI { 1251}
   (( segid "    " and resid 44   and name HG2 ))
   (( segid "    " and resid 50   and name HN  ))
      6.000     4.500     0.000 peak  1251 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.195 ppm2      7.812 CV     1
 OR { 1251}
   (( segid "    " and resid 44   and name HG1 ))
   (( segid "    " and resid 50   and name HN  ))
 ASSI { 1256}
   (( segid "    " and resid 98   and name HG12))
   (( segid "    " and resid 99   and name HN  ))
      6.000     4.500     0.000 peak  1256 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.874 ppm2      9.599 CV     1
 ASSI { 1258}
   (( segid "    " and resid 146  and name HG11))
   (( segid "    " and resid 146  and name HN  ))
      6.000     4.500     0.000 peak  1258 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.600 ppm2      7.867 CV     1
 ASSI { 1264}
   (( segid "    " and resid 79   and name HB2 ))
   (( segid "    " and resid 80   and name HN  ))
      6.000     4.500     0.000 peak  1264 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.370 ppm2      7.653 CV     1
 ASSI { 1265}
   (( segid "    " and resid 127  and name HG2 ))
   (  segid "    " and resid 40   and name HD% )
      6.000     4.500     0.000 peak  1265 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.058 ppm2      7.046 CV     1
 ASSI { 1266}
   (( segid "    " and resid 127  and name HG2 ))
   (( segid "    " and resid 126  and name HD1 ))
      6.000     4.500     0.000 peak  1266 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.052 ppm2      6.729 CV     1
 ASSI { 1267}
   (( segid "    " and resid 127  and name HG2 ))
   (( segid "    " and resid 128  and name HN  ))
      6.000     4.500     0.000 peak  1267 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.052 ppm2      6.571 CV     1
 ASSI { 1273}
   (( segid "    " and resid 127  and name HG1 ))
   (( segid "    " and resid 126  and name HD1 ))
      6.000     4.500     0.000 peak  1273 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.578 ppm2      6.746 CV     1
 ASSI { 1277}
   (( segid "    " and resid 79   and name HB2 ))
   (( segid "    " and resid 79   and name HN  ))
      6.000     4.500     0.000 peak  1277 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.368 ppm2      8.794 CV     1
 ASSI { 1278}
   (( segid "    " and resid 79   and name HB2 ))
   (( segid "    " and resid 79   and name HE22))
      6.000     4.500     0.000 peak  1278 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.366 ppm2      7.804 CV     1
 ASSI { 1279}
   (( segid "    " and resid 79   and name HB1 ))
   (( segid "    " and resid 79   and name HN  ))
      6.000     4.500     0.000 peak  1279 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.282 ppm2      8.795 CV     1
 ASSI { 1281}
   (( segid "    " and resid 79   and name HB1 ))
   (( segid "    " and resid 80   and name HN  ))
      6.000     4.500     0.000 peak  1281 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.271 ppm2      7.669 CV     1
 ASSI { 1289}
   (( segid "    " and resid 144  and name HG1 ))
   (( segid "    " and resid 144  and name HN  ))
      6.000     4.500     0.000 peak  1289 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.634 ppm2      9.595 CV     1
 ASSI { 1292}
   (( segid "    " and resid 14   and name HG1 ))
   (( segid "    " and resid 10   and name HN  ))
      6.000     4.500     0.000 peak  1292 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.476 ppm2      8.457 CV     1
 ASSI { 1300}
   (( segid "    " and resid 126  and name HB2 ))
   (( segid "    " and resid 126  and name HD1 ))
      6.000     4.500     0.000 peak  1300 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.122 ppm2      6.728 CV     1
 ASSI { 1308}
   (( segid "    " and resid 17   and name HB1 ))
   (( segid "    " and resid 80   and name HE21))
      6.000     4.500     0.000 peak  1308 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.167 ppm2      7.472 CV     1
 OR { 1308}
   (( segid "    " and resid 17   and name HB2 ))
   (( segid "    " and resid 80   and name HE21))
 ASSI { 1311}
   (( segid "    " and resid 30   and name HB1 ))
   (( segid "    " and resid 30   and name HN  ))
      6.000     4.500     0.000 peak  1311 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.995 ppm2      8.919 CV     1
 ASSI { 1313}
   (( segid "    " and resid 74   and name HB1 ))
   (( segid "    " and resid 74   and name HN  ))
      6.000     4.500     0.000 peak  1313 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.932 ppm2      8.921 CV     1
 ASSI { 1314}
   (( segid "    " and resid 74   and name HB1 ))
   (( segid "    " and resid 75   and name HN  ))
      6.000     4.500     0.000 peak  1314 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.922 ppm2      7.720 CV     1
 ASSI { 1316}
   (( segid "    " and resid 22   and name HG  ))
   (( segid "    " and resid 23   and name HN  ))
      6.000     4.500     0.000 peak  1316 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.909 ppm2      7.436 CV     1
 ASSI { 1317}
   (( segid "    " and resid 80   and name HB2 ))
   (( segid "    " and resid 79   and name HN  ))
      6.000     4.500     0.000 peak  1317 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.802 ppm2      8.797 CV     1
 ASSI { 1319}
   (( segid "    " and resid 80   and name HB2 ))
   (( segid "    " and resid 78   and name HN  ))
      6.000     4.500     0.000 peak  1319 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.804 ppm2      7.979 CV     1
 ASSI { 1323}
   (( segid "    " and resid 150  and name HG1 ))
   (( segid "    " and resid 147  and name HN  ))
      6.000     4.500     0.000 peak  1323 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.507 ppm2      7.487 CV     1
 ASSI { 1335}
   (  segid "    " and resid 60   and name HD1%)
   (( segid "    " and resid 60   and name HN  ))
      6.000     4.500     0.000 peak  1335 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.746 ppm2      9.312 CV     1
 ASSI { 1336}
   (  segid "    " and resid 60   and name HD1%)
   (( segid "    " and resid 33   and name HN  ))
      6.000     4.500     0.000 peak  1336 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.746 ppm2      9.211 CV     1
 ASSI { 1337}
   (  segid "    " and resid 60   and name HD1%)
   (( segid "    " and resid 32   and name HN  ))
      6.000     4.500     0.000 peak  1337 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.743 ppm2      9.003 CV     1
 ASSI { 1339}
   (( segid "    " and resid 126  and name HB2 ))
   (( segid "    " and resid 126  and name HE3 ))
      6.000     4.500     0.000 peak  1339 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.131 ppm2      7.805 CV     1
 ASSI { 1340}
   (( segid "    " and resid 30   and name HB2 ))
   (( segid "    " and resid 30   and name HN  ))
      6.000     4.500     0.000 peak  1340 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.416 ppm2      8.918 CV     1
 ASSI { 1344}
   (( segid "    " and resid 17   and name HB2 ))
   (( segid "    " and resid 17   and name HN  ))
      6.000     4.500     0.000 peak  1344 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.168 ppm2      8.167 CV     1
 OR { 1344}
   (( segid "    " and resid 17   and name HB1 ))
   (( segid "    " and resid 17   and name HN  ))
 ASSI { 1347}
   (( segid "    " and resid 150  and name HG1 ))
   (( segid "    " and resid 150  and name HN  ))
      6.000     4.500     0.000 peak  1347 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.513 ppm2      7.851 CV     1
 ASSI { 1348}
   (( segid "    " and resid 150  and name HG1 ))
   (( segid "    " and resid 149  and name HN  ))
      6.000     4.500     0.000 peak  1348 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.503 ppm2      8.383 CV     1
 ASSI { 1349}
   (( segid "    " and resid 150  and name HG2 ))
   (( segid "    " and resid 150  and name HN  ))
      6.000     4.500     0.000 peak  1349 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.447 ppm2      7.851 CV     1
 ASSI { 1350}
   (( segid "    " and resid 150  and name HG2 ))
   (( segid "    " and resid 121  and name HN  ))
      6.000     4.500     0.000 peak  1350 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.448 ppm2      6.994 CV     1
 ASSI { 1353}
   (( segid "    " and resid 106  and name HG11))
   (( segid "    " and resid 106  and name HN  ))
      6.000     4.500     0.000 peak  1353 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.072 ppm2      9.384 CV     1
 OR { 1353}
   (( segid "    " and resid 106  and name HG12))
   (( segid "    " and resid 106  and name HN  ))
 ASSI { 1355}
   (  segid "    " and resid 64   and name HD2%)
   (( segid "    " and resid 65   and name HN  ))
      6.000     4.500     0.000 peak  1355 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.707 ppm2      8.396 CV     1
 OR { 1355}
   (  segid "    " and resid 64   and name HD1%)
   (( segid "    " and resid 65   and name HN  ))
 ASSI { 1357}
   (( segid "    " and resid 89   and name HB2 ))
   (( segid "    " and resid 89   and name HE3 ))
      6.000     4.500     0.000 peak  1357 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.570 ppm2      7.617 CV     1
 OR { 1357}
   (( segid "    " and resid 89   and name HB1 ))
   (( segid "    " and resid 89   and name HE3 ))
 ASSI { 1358}
   (( segid "    " and resid 89   and name HB1 ))
   (( segid "    " and resid 89   and name HD1 ))
      6.000     4.500     0.000 peak  1358 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.566 ppm2      7.144 CV     1
 OR { 1358}
   (( segid "    " and resid 89   and name HB2 ))
   (( segid "    " and resid 89   and name HD1 ))
 ASSI { 1359}
   (( segid "    " and resid 75   and name HG1 ))
   (( segid "    " and resid 76   and name HN  ))
      6.000     4.500     0.000 peak  1359 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.696 ppm2      8.039 CV     1
 ASSI { 1367}
   (( segid "    " and resid 150  and name HG1 ))
   (  segid "    " and resid 152  and name HD% )
      6.000     4.500     0.000 peak  1367 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.501 ppm2      7.033 CV     1
 ASSI { 1369}
   (( segid "    " and resid 92   and name HG2 ))
   (( segid "    " and resid 83   and name HN  ))
      6.000     4.500     0.000 peak  1369 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.382 ppm2      8.217 CV     1
 ASSI { 1372}
   (( segid "    " and resid 135  and name HG  ))
   (( segid "    " and resid 135  and name HN  ))
      6.000     4.500     0.000 peak  1372 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.265 ppm2      7.212 CV     1
 ASSI { 1375}
   (  segid "    " and resid 96   and name HD2%)
   (( segid "    " and resid 96   and name HA  ))
      6.000     4.500     0.000 peak  1375 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.145 ppm2      5.376 CV     1
 OR { 1375}
   (  segid "    " and resid 96   and name HD1%)
   (( segid "    " and resid 96   and name HA  ))
 ASSI { 1376}
   (  segid "    " and resid 96   and name HD2%)
   (( segid "    " and resid 96   and name HN  ))
      6.000     4.500     0.000 peak  1376 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.144 ppm2     10.650 CV     1
 ASSI { 1381}
   (  segid "    " and resid 64   and name HD1%)
   (( segid "    " and resid 72   and name HD2 ))
      6.000     4.500     0.000 peak  1381 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.708 ppm2      7.233 CV     1
 OR { 1381}
   (  segid "    " and resid 64   and name HD2%)
   (( segid "    " and resid 72   and name HD2 ))
 ASSI { 1382}
   (  segid "    " and resid 70   and name HD2%)
   (( segid "    " and resid 74   and name HE21))
      6.000     4.500     0.000 peak  1382 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.495 ppm2      8.229 CV     1
 ASSI { 1392}
   (( segid "    " and resid 114  and name HG1 ))
   (  segid "    " and resid 137  and name HD% )
      6.000     4.500     0.000 peak  1392 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.478 ppm2      7.333 CV     1
 ASSI { 1394}
   (( segid "    " and resid 66   and name HG1 ))
   (( segid "    " and resid 67   and name HN  ))
      6.000     4.500     0.000 peak  1394 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.742 ppm2      8.733 CV     1
 ASSI { 1396}
   (( segid "    " and resid 75   and name HG1 ))
   (( segid "    " and resid 75   and name HN  ))
      6.000     4.500     0.000 peak  1396 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.720 ppm2      7.720 CV     1
 ASSI { 1397}
   (( segid "    " and resid 75   and name HG2 ))
   (( segid "    " and resid 75   and name HN  ))
      6.000     4.500     0.000 peak  1397 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.592 ppm2      7.721 CV     1
 ASSI { 1408}
   (  segid "    " and resid 22   and name HD1%)
   (( segid "    " and resid 23   and name HN  ))
      6.000     4.500     0.000 peak  1408 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.139 ppm2      7.422 CV     1
 ASSI { 1409}
   (  segid "    " and resid 96   and name HD2%)
   (( segid "    " and resid 74   and name HE22))
      6.000     4.500     0.000 peak  1409 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.138 ppm2      7.101 CV     1
 ASSI { 1411}
   (  segid "    " and resid 69   and name HD2%)
   (  segid "    " and resid 101  and name HD% )
      6.000     4.500     0.000 peak  1411 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.022 ppm2      7.039 CV     1
 ASSI { 1416}
   (  segid "    " and resid 34   and name HD1%)
   (( segid "    " and resid 34   and name HN  ))
      6.000     4.500     0.000 peak  1416 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.815 ppm2      9.187 CV     1
 OR { 1416}
   (  segid "    " and resid 34   and name HD2%)
   (( segid "    " and resid 34   and name HN  ))
 ASSI { 1418}
   (  segid "    " and resid 34   and name HD2%)
   (( segid "    " and resid 61   and name HN  ))
      6.000     4.500     0.000 peak  1418 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.813 ppm2      8.794 CV     1
 OR { 1418}
   (  segid "    " and resid 34   and name HD1%)
   (( segid "    " and resid 61   and name HN  ))
 ASSI { 1420}
   (( segid "    " and resid 66   and name HG2 ))
   (  segid "    " and resid 101  and name HD% )
      6.000     4.500     0.000 peak  1420 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.797 ppm2      7.032 CV     1
 ASSI { 1424}
   (  segid "    " and resid 128  and name HD1%)
   (  segid "    " and resid 4    and name HD% )
      6.000     4.500     0.000 peak  1424 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.588 ppm2      6.821 CV     1
 OR { 1424}
   (  segid "    " and resid 128  and name HD2%)
   (  segid "    " and resid 4    and name HD% )
 ASSI { 1425}
   (  segid "    " and resid 155  and name HD2%)
   (( segid "    " and resid 156  and name HN  ))
      6.000     4.500     0.000 peak  1425 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.499 ppm2      9.311 CV     1
 OR { 1425}
   (  segid "    " and resid 155  and name HD1%)
   (( segid "    " and resid 156  and name HN  ))
 ASSI { 1427}
   (  segid "    " and resid 155  and name HD1%)
   (( segid "    " and resid 126  and name HD1 ))
      6.000     4.500     0.000 peak  1427 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.503 ppm2      6.728 CV     1
 OR { 1427}
   (  segid "    " and resid 155  and name HD2%)
   (( segid "    " and resid 126  and name HD1 ))
 ASSI { 1429}
   (( segid "    " and resid 157  and name HG1 ))
   (( segid "    " and resid 158  and name HN  ))
      6.000     4.500     0.000 peak  1429 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.304 ppm2      8.670 CV     1
 ASSI { 1441}
   (  segid "    " and resid 135  and name HD2%)
   (( segid "    " and resid 136  and name HN  ))
      6.000     4.500     0.000 peak  1441 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.380 ppm2      8.398 CV     1
 ASSI { 1445}
   (  segid "    " and resid 111  and name HD1%)
   (( segid "    " and resid 112  and name HN  ))
      6.000     4.500     0.000 peak  1445 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.329 ppm2      9.772 CV     1
 ASSI { 1447}
   (  segid "    " and resid 111  and name HD1%)
   (( segid "    " and resid 107  and name HD21))
      6.000     6.000     0.000 peak  1447 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.327 ppm2      7.791 CV     1
 ASSI { 1448}
   (  segid "    " and resid 135  and name HD1%)
   (( segid "    " and resid 137  and name HN  ))
      6.000     4.500     0.000 peak  1448 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.116 ppm2      9.234 CV     1
 ASSI { 1453}
   (  segid "    " and resid 135  and name HD1%)
   (  segid "    " and resid 4    and name HD% )
      6.000     6.000     0.000 peak  1453 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.113 ppm2      6.825 CV     1
 ASSI { 1464}
   (( segid "    " and resid 154  and name HG1 ))
   (( segid "    " and resid 154  and name HN  ))
      6.000     4.500     0.000 peak  1464 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.197 ppm2      8.316 CV     1
 ASSI { 1467}
   (( segid "    " and resid 143  and name HG  ))
   (( segid "    " and resid 129  and name HN  ))
      6.000     4.500     0.000 peak  1467 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.968 ppm2      8.683 CV     1
 ASSI { 1469}
   (( segid "    " and resid 143  and name HG  ))
   (  segid "    " and resid 129  and name HD% )
      6.000     4.500     0.000 peak  1469 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.965 ppm2      7.188 CV     1
 ASSI { 1477}
   (  segid "    " and resid 54   and name HD1%)
   (( segid "    " and resid 54   and name HN  ))
      6.000     4.500     0.000 peak  1477 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1     -0.631 ppm2      8.585 CV     1
 ASSI { 1478}
   (  segid "    " and resid 54   and name HD2%)
   (( segid "    " and resid 15   and name HN  ))
      6.000     4.500     0.000 peak  1478 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1     -0.633 ppm2      8.175 CV     1
 OR { 1478}
   (  segid "    " and resid 54   and name HD1%)
   (( segid "    " and resid 15   and name HN  ))
 ASSI { 1479}
   (  segid "    " and resid 54   and name HD1%)
   (( segid "    " and resid 158  and name HE3 ))
      6.000     4.500     0.000 peak  1479 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1     -0.631 ppm2      7.427 CV     1
 ASSI { 1480}
   (  segid "    " and resid 54   and name HD1%)
   (( segid "    " and resid 158  and name HD1 ))
      6.000     4.500     0.000 peak  1480 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1     -0.632 ppm2      7.272 CV     1
 OR { 1480}
   (  segid "    " and resid 54   and name HD2%)
   (( segid "    " and resid 158  and name HD1 ))
 ASSI { 1482}
   (  segid "    " and resid 54   and name HD2%)
   (  segid "    " and resid 39   and name HD% )
      6.000     4.500     0.000 peak  1482 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1     -0.631 ppm2      6.965 CV     1
 OR { 1482}
   (  segid "    " and resid 54   and name HD1%)
   (  segid "    " and resid 39   and name HD% )
 ASSI { 1486}
   (( segid "    " and resid 23   and name HG1 ))
   (( segid "    " and resid 23   and name HN  ))
      6.000     4.500     0.000 peak  1486 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.558 ppm2      7.422 CV     1
 ASSI { 1487}
   (( segid "    " and resid 23   and name HG2 ))
   (( segid "    " and resid 24   and name HN  ))
      6.000     4.500     0.000 peak  1487 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.460 ppm2      7.934 CV     1
 ASSI { 1488}
   (( segid "    " and resid 23   and name HG2 ))
   (( segid "    " and resid 23   and name HN  ))
      6.000     4.500     0.000 peak  1488 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.451 ppm2      7.436 CV     1
 ASSI { 1492}
   (  segid "    " and resid 100  and name HD1%)
   (( segid "    " and resid 4    and name HN  ))
      6.000     4.500     0.000 peak  1492 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.076 ppm2      8.659 CV     1
 ASSI { 1493}
   (  segid "    " and resid 100  and name HD1%)
   (( segid "    " and resid 100  and name HN  ))
      6.000     4.500     0.000 peak  1493 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.075 ppm2      7.525 CV     1
 ASSI { 1494}
   (  segid "    " and resid 100  and name HD1%)
   (  segid "    " and resid 137  and name HD% )
      6.000     4.500     0.000 peak  1494 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.078 ppm2      7.328 CV     1
 ASSI { 1496}
   (  segid "    " and resid 100  and name HD1%)
   (  segid "    " and resid 4    and name HD% )
      6.000     4.500     0.000 peak  1496 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.078 ppm2      6.831 CV     1
 ASSI { 1498}
   (( segid "    " and resid 143  and name HG  ))
   (( segid "    " and resid 147  and name HN  ))
      6.000     4.500     0.000 peak  1498 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.968 ppm2      7.436 CV     1
 ASSI { 1499}
   (( segid "    " and resid 121  and name HG2 ))
   (( segid "    " and resid 121  and name HN  ))
      6.000     4.500     0.000 peak  1499 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.730 ppm2      6.992 CV     1
 ASSI { 1500}
   (  segid "    " and resid 147  and name HD2%)
   (( segid "    " and resid 147  and name HN  ))
      6.000     4.500     0.000 peak  1500 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1     -0.457 ppm2      7.451 CV     1
 ASSI { 1501}
   (  segid "    " and resid 147  and name HD2%)
   (( segid "    " and resid 126  and name HN  ))
      6.000     4.500     0.000 peak  1501 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1     -0.459 ppm2      8.682 CV     1
 ASSI { 1502}
   (  segid "    " and resid 147  and name HD2%)
   (( segid "    " and resid 126  and name HE3 ))
      6.000     4.500     0.000 peak  1502 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1     -0.462 ppm2      7.822 CV     1
 ASSI { 1503}
   (  segid "    " and resid 147  and name HD2%)
   (( segid "    " and resid 152  and name HN  ))
      6.000     4.500     0.000 peak  1503 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1     -0.458 ppm2      7.183 CV     1
 ASSI { 1510}
   (  segid "    " and resid 22   and name HD2%)
   (( segid "    " and resid 23   and name HN  ))
      6.000     4.500     0.000 peak  1510 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.903 ppm2      7.411 CV     1
 ASSI { 1515}
   (  segid "    " and resid 22   and name HD2%)
   (( segid "    " and resid 22   and name HN  ))
      6.000     4.500     0.000 peak  1515 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.874 ppm2      8.512 CV     1
 ASSI { 1519}
   (  segid "    " and resid 56   and name HB% )
   (( segid "    " and resid 38   and name HN  ))
      6.000     4.500     0.000 peak  1519 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.433 ppm2      9.307 CV     1
 ASSI { 1523}
   (  segid "    " and resid 56   and name HB% )
   (( segid "    " and resid 57   and name HN  ))
      6.000     4.500     0.000 peak  1523 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.420 ppm2      9.502 CV     1
 ASSI { 1527}
   (  segid "    " and resid 56   and name HB% )
   (  segid "    " and resid 39   and name HD% )
      6.000     4.500     0.000 peak  1527 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.421 ppm2      6.984 CV     1
 ASSI { 1530}
   (  segid "    " and resid 56   and name HB% )
   (( segid "    " and resid 57   and name HA  ))
      6.000     4.500     0.000 peak  1530 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.423 ppm2      5.683 CV     1
 ASSI { 1532}
   (  segid "    " and resid 93   and name HG2%)
   (( segid "    " and resid 11   and name HN  ))
      6.000     4.500     0.000 peak  1532 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.224 ppm2      6.992 CV     1
 ASSI { 1533}
   (  segid "    " and resid 93   and name HG2%)
   (( segid "    " and resid 93   and name HN  ))
      6.000     4.500     0.000 peak  1533 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.218 ppm2      8.756 CV     1
 ASSI { 1534}
   (  segid "    " and resid 93   and name HG2%)
   (( segid "    " and resid 12   and name HN  ))
      6.000     4.500     0.000 peak  1534 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.218 ppm2      8.179 CV     1
 ASSI { 1535}
   (  segid "    " and resid 93   and name HG2%)
   (( segid "    " and resid 17   and name HE21))
      6.000     4.500     0.000 peak  1535 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.219 ppm2      7.711 CV     1
 ASSI { 1545}
   (  segid "    " and resid 111  and name HD2%)
   (( segid "    " and resid 112  and name HN  ))
      6.000     4.500     0.000 peak  1545 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.380 ppm2      9.767 CV     1
 ASSI { 1547}
   (  segid "    " and resid 111  and name HD2%)
   (( segid "    " and resid 67   and name HN  ))
      6.000     4.500     0.000 peak  1547 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.380 ppm2      8.726 CV     1
 ASSI { 1549}
   (  segid "    " and resid 111  and name HD2%)
   (( segid "    " and resid 111  and name HN  ))
      6.000     4.500     0.000 peak  1549 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.381 ppm2      7.657 CV     1
 ASSI { 1554}
   (  segid "    " and resid 18   and name HG1%)
   (  segid "    " and resid 39   and name HD% )
      6.000     4.500     0.000 peak  1554 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.634 ppm2      6.957 CV     1
 ASSI { 1556}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 46   and name HN  ))
      6.000     4.500     0.000 peak  1556 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.053 ppm2      8.563 CV     1
 ASSI { 1558}
   (  segid "    " and resid 69   and name HD1%)
   (( segid "    " and resid 69   and name HN  ))
      6.000     4.500     0.000 peak  1558 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.942 ppm2      8.227 CV     1
 ASSI { 1560}
   (  segid "    " and resid 69   and name HD1%)
   (( segid "    " and resid 72   and name HD2 ))
      6.000     6.000     0.000 peak  1560 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.944 ppm2      7.233 CV     1
 ASSI { 1561}
   (  segid "    " and resid 70   and name HD1%)
   (( segid "    " and resid 74   and name HE21))
      6.000     4.500     0.000 peak  1561 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.721 ppm2      8.216 CV     1
 ASSI { 1565}
   (( segid "    " and resid 128  and name HG  ))
   (  segid "    " and resid 4    and name HD% )
      6.000     4.500     0.000 peak  1565 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.308 ppm2      6.839 CV     1
 ASSI { 1571}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 60   and name HN  ))
      6.000     4.500     0.000 peak  1571 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.012 ppm2      9.333 CV     1
 OR { 1571}
   (  segid "    " and resid 58   and name HG1%)
   (( segid "    " and resid 60   and name HN  ))
 ASSI { 1572}
   (  segid "    " and resid 58   and name HG1%)
   (( segid "    " and resid 37   and name HN  ))
      6.000     4.500     0.000 peak  1572 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.013 ppm2      9.117 CV     1
 OR { 1572}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 37   and name HN  ))
 ASSI { 1573}
   (  segid "    " and resid 69   and name HD1%)
   (( segid "    " and resid 73   and name HN  ))
      6.000     4.500     0.000 peak  1573 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.944 ppm2      9.351 CV     1
 ASSI { 1574}
   (  segid "    " and resid 69   and name HD1%)
   (( segid "    " and resid 64   and name HN  ))
      6.000     6.000     0.000 peak  1574 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.945 ppm2      8.553 CV     1
 ASSI { 1575}
   (  segid "    " and resid 94   and name HD1%)
   (( segid "    " and resid 80   and name HE21))
      6.000     4.500     0.000 peak  1575 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.871 ppm2      7.445 CV     1
 ASSI { 1576}
   (  segid "    " and resid 94   and name HD1%)
   (( segid "    " and resid 21   and name HN  ))
      6.000     4.500     0.000 peak  1576 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.863 ppm2      8.505 CV     1
 OR { 1576}
   (  segid "    " and resid 94   and name HD2%)
   (( segid "    " and resid 21   and name HN  ))
 ASSI { 1578}
   (  segid "    " and resid 94   and name HD2%)
   (( segid "    " and resid 81   and name HN  ))
      6.000     4.500     0.000 peak  1578 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.869 ppm2      7.936 CV     1
 OR { 1578}
   (  segid "    " and resid 94   and name HD1%)
   (( segid "    " and resid 81   and name HN  ))
 ASSI { 1580}
   (  segid "    " and resid 70   and name HD1%)
   (( segid "    " and resid 74   and name HN  ))
      6.000     4.500     0.000 peak  1580 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.730 ppm2      8.926 CV     1
 ASSI { 1581}
   (  segid "    " and resid 70   and name HD1%)
   (( segid "    " and resid 73   and name HN  ))
      6.000     4.500     0.000 peak  1581 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.724 ppm2      9.356 CV     1
 ASSI { 1587}
   (  segid "    " and resid 76   and name HD1%)
   (( segid "    " and resid 79   and name HE22))
      6.000     4.500     0.000 peak  1587 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.887 ppm2      7.780 CV     1
 ASSI { 1591}
   (  segid "    " and resid 94   and name HD1%)
   (( segid "    " and resid 95   and name HN  ))
      6.000     4.500     0.000 peak  1591 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.857 ppm2      9.184 CV     1
 OR { 1591}
   (  segid "    " and resid 94   and name HD2%)
   (( segid "    " and resid 95   and name HN  ))
 ASSI { 1597}
   (  segid "    " and resid 57   and name HB% )
   (( segid "    " and resid 57   and name HN  ))
      6.000     4.500     0.000 peak  1597 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.360 ppm2      9.503 CV     1
 ASSI { 1600}
   (  segid "    " and resid 57   and name HB% )
   (( segid "    " and resid 128  and name HN  ))
      6.000     4.500     0.000 peak  1600 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.362 ppm2      6.581 CV     1
 ASSI { 1608}
   (  segid "    " and resid 36   and name HG1%)
   (( segid "    " and resid 36   and name HN  ))
      6.000     4.500     0.000 peak  1608 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.119 ppm2      8.307 CV     1
 ASSI { 1616}
   (( segid "    " and resid 64   and name HG  ))
   (( segid "    " and resid 64   and name HN  ))
      6.000     4.500     0.000 peak  1616 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.770 ppm2      8.540 CV     1
 ASSI { 1618}
   (( segid "    " and resid 64   and name HG  ))
   (( segid "    " and resid 69   and name HN  ))
      6.000     4.500     0.000 peak  1618 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.770 ppm2      8.241 CV     1
 ASSI { 1619}
   (( segid "    " and resid 64   and name HG  ))
   (( segid "    " and resid 72   and name HD2 ))
      6.000     4.500     0.000 peak  1619 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.772 ppm2      7.236 CV     1
 ASSI { 1631}
   (( segid "    " and resid 54   and name HG  ))
   (( segid "    " and resid 56   and name HN  ))
      6.000     4.500     0.000 peak  1631 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.239 ppm2      8.910 CV     1
 ASSI { 1632}
   (( segid "    " and resid 54   and name HG  ))
   (( segid "    " and resid 39   and name HN  ))
      6.000     4.500     0.000 peak  1632 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.236 ppm2      8.692 CV     1
 ASSI { 1633}
   (( segid "    " and resid 54   and name HG  ))
   (( segid "    " and resid 158  and name HE3 ))
      6.000     4.500     0.000 peak  1633 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.244 ppm2      7.432 CV     1
 ASSI { 1635}
   (( segid "    " and resid 54   and name HG  ))
   (  segid "    " and resid 39   and name HD% )
      6.000     4.500     0.000 peak  1635 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.239 ppm2      6.969 CV     1
 ASSI { 1641}
   (  segid "    " and resid 147  and name HD1%)
   (( segid "    " and resid 147  and name HN  ))
      6.000     4.500     0.000 peak  1641 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1     -0.569 ppm2      7.441 CV     1
 ASSI { 1643}
   (  segid "    " and resid 149  and name HG2%)
   (( segid "    " and resid 150  and name HN  ))
      6.000     4.500     0.000 peak  1643 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.278 ppm2      7.853 CV     1
 ASSI { 1646}
   (  segid "    " and resid 59   and name HB% )
   (( segid "    " and resid 59   and name HN  ))
      6.000     4.500     0.000 peak  1646 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.257 ppm2      8.534 CV     1
 ASSI { 1673}
   (  segid "    " and resid 147  and name HD1%)
   (( segid "    " and resid 126  and name HE3 ))
      6.000     4.500     0.000 peak  1673 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1     -0.569 ppm2      7.833 CV     1
 ASSI { 1675}
   (  segid "    " and resid 6    and name HB% )
   (( segid "    " and resid 6    and name HN  ))
      6.000     4.500     0.000 peak  1675 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.779 ppm2     10.001 CV     1
 ASSI { 1680}
   (  segid "    " and resid 113  and name HG2%)
   (  segid "    " and resid 101  and name HD% )
      6.000     4.500     0.000 peak  1680 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.183 ppm2      7.038 CV     1
 ASSI { 1682}
   (  segid "    " and resid 105  and name HG1%)
   (( segid "    " and resid 107  and name HD21))
      6.000     4.500     0.000 peak  1682 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.052 ppm2      7.812 CV     1
 OR { 1682}
   (  segid "    " and resid 105  and name HG2%)
   (( segid "    " and resid 107  and name HD21))
 ASSI { 1683}
   (  segid "    " and resid 105  and name HG1%)
   (( segid "    " and resid 107  and name HD22))
      6.000     4.500     0.000 peak  1683 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.051 ppm2      6.806 CV     1
 OR { 1683}
   (  segid "    " and resid 105  and name HG2%)
   (( segid "    " and resid 107  and name HD22))
 ASSI { 1688}
   (( segid "    " and resid 155  and name HG  ))
   (( segid "    " and resid 155  and name HN  ))
      6.000     4.500     0.000 peak  1688 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.786 ppm2      7.695 CV     1
 ASSI { 1689}
   (( segid "    " and resid 155  and name HG  ))
   (  segid "    " and resid 40   and name HD% )
      6.000     4.500     0.000 peak  1689 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.788 ppm2      7.050 CV     1
 ASSI { 1690}
   (( segid "    " and resid 155  and name HG  ))
   (( segid "    " and resid 126  and name HD1 ))
      6.000     4.500     0.000 peak  1690 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.785 ppm2      6.732 CV     1
 ASSI { 1691}
   (( segid "    " and resid 1    and name HG21))
   (( segid "    " and resid 103  and name HN  ))
      6.000     4.500     0.000 peak  1691 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.560 ppm2      9.255 CV     1
 ASSI { 1692}
   (( segid "    " and resid 1    and name HG21))
   (( segid "    " and resid 2    and name HN  ))
      6.000     4.500     0.000 peak  1692 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.558 ppm2      8.761 CV     1
 ASSI { 1693}
   (( segid "    " and resid 1    and name HG21))
   (( segid "    " and resid 102  and name HN  ))
      6.000     4.500     0.000 peak  1693 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.559 ppm2      8.410 CV     1
 ASSI { 1696}
   (( segid "    " and resid 1    and name HG21))
   (  segid "    " and resid 101  and name HD% )
      6.000     4.500     0.000 peak  1696 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.559 ppm2      7.046 CV     1
 ASSI { 1702}
   (  segid "    " and resid 112  and name HG2%)
   (( segid "    " and resid 107  and name HD21))
      6.000     4.500     0.000 peak  1702 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.466 ppm2      7.801 CV     1
 ASSI { 1705}
   (  segid "    " and resid 112  and name HG2%)
   (( segid "    " and resid 107  and name HA  ))
      6.000     4.500     0.000 peak  1705 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.467 ppm2      5.521 CV     1
 ASSI { 1709}
   (  segid "    " and resid 3    and name HB% )
   (( segid "    " and resid 4    and name HN  ))
      6.000     4.500     0.000 peak  1709 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.228 ppm2      8.655 CV     1
 ASSI { 1710}
   (  segid "    " and resid 3    and name HB% )
   (  segid "    " and resid 101  and name HD% )
      6.000     4.500     0.000 peak  1710 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.229 ppm2      7.036 CV     1
 ASSI { 1713}
   (  segid "    " and resid 136  and name HG2%)
   (  segid "    " and resid 137  and name HD% )
      6.000     4.500     0.000 peak  1713 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.031 ppm2      7.342 CV     1
 OR { 1713}
   (  segid "    " and resid 136  and name HG1%)
   (  segid "    " and resid 137  and name HD% )
 ASSI { 1715}
   (  segid "    " and resid 36   and name HG2%)
   (( segid "    " and resid 37   and name HN  ))
      6.000     4.500     0.000 peak  1715 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.358 ppm2      9.137 CV     1
 ASSI { 1716}
   (  segid "    " and resid 36   and name HG2%)
   (( segid "    " and resid 59   and name HN  ))
      6.000     4.500     0.000 peak  1716 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.358 ppm2      8.529 CV     1
 ASSI { 1717}
   (  segid "    " and resid 36   and name HG2%)
   (( segid "    " and resid 36   and name HN  ))
      6.000     4.500     0.000 peak  1717 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.359 ppm2      8.301 CV     1
 ASSI { 1724}
   (  segid "    " and resid 2    and name HG1%)
   (( segid "    " and resid 3    and name HN  ))
      6.000     4.500     0.000 peak  1724 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.133 ppm2      9.263 CV     1
 ASSI { 1740}
   (  segid "    " and resid 24   and name HB% )
   (( segid "    " and resid 24   and name HN  ))
      6.000     4.500     0.000 peak  1740 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.577 ppm2      7.923 CV     1
 ASSI { 1741}
   (  segid "    " and resid 24   and name HB% )
   (( segid "    " and resid 79   and name HE22))
      6.000     4.500     0.000 peak  1741 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.578 ppm2      7.779 CV     1
 ASSI { 1756}
   (  segid "    " and resid 132  and name HB% )
   (( segid "    " and resid 135  and name HN  ))
      6.000     4.500     0.000 peak  1756 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.020 ppm2      7.228 CV     1
 ASSI { 1760}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 95   and name HN  ))
      6.000     4.500     0.000 peak  1760 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.789 ppm2      9.215 CV     1
 ASSI { 1766}
   (  segid "    " and resid 62   and name HG2%)
   (( segid "    " and resid 64   and name HN  ))
      6.000     4.500     0.000 peak  1766 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.112 ppm2      8.556 CV     1
 ASSI { 1771}
   (  segid "    " and resid 62   and name HG2%)
   (  segid "    " and resid 101  and name HD% )
      6.000     4.500     0.000 peak  1771 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.112 ppm2      7.049 CV     1
 ASSI { 1774}
   (  segid "    " and resid 62   and name HG2%)
   (( segid "    " and resid 62   and name HN  ))
      6.000     4.500     0.000 peak  1774 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.113 ppm2      9.227 CV     1
 ASSI { 1775}
   (  segid "    " and resid 106  and name HG2%)
   (( segid "    " and resid 106  and name HN  ))
      6.000     4.500     0.000 peak  1775 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.946 ppm2      9.394 CV     1
 ASSI { 1776}
   (  segid "    " and resid 106  and name HG2%)
   (( segid "    " and resid 107  and name HN  ))
      6.000     4.500     0.000 peak  1776 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.945 ppm2      9.217 CV     1
 ASSI { 1777}
   (  segid "    " and resid 106  and name HG2%)
   (( segid "    " and resid 108  and name HN  ))
      6.000     4.500     0.000 peak  1777 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.946 ppm2      8.988 CV     1
 ASSI { 1784}
   (  segid "    " and resid 131  and name HG2%)
   (( segid "    " and resid 131  and name HN  ))
      6.000     4.500     0.000 peak  1784 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.843 ppm2      6.947 CV     1
 ASSI { 1806}
   (  segid "    " and resid 76   and name HG2%)
   (( segid "    " and resid 77   and name HN  ))
      6.000     4.500     0.000 peak  1806 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.834 ppm2      8.042 CV     1
 ASSI { 1808}
   (  segid "    " and resid 76   and name HG2%)
   (( segid "    " and resid 80   and name HN  ))
      6.000     4.500     0.000 peak  1808 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.828 ppm2      7.656 CV     1
 ASSI { 1810}
   (  segid "    " and resid 146  and name HG2%)
   (( segid "    " and resid 147  and name HN  ))
      6.000     4.500     0.000 peak  1810 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.752 ppm2      7.438 CV     1
 ASSI { 1812}
   (  segid "    " and resid 11   and name HD2%)
   (( segid "    " and resid 11   and name HN  ))
      6.000     4.500     0.000 peak  1812 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.750 ppm2      6.980 CV     1
 OR { 1812}
   (  segid "    " and resid 11   and name HD1%)
   (( segid "    " and resid 11   and name HN  ))
 ASSI { 1813}
   (  segid "    " and resid 11   and name HD2%)
   (( segid "    " and resid 10   and name HD21))
      6.000     4.500     0.000 peak  1813 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.748 ppm2      6.839 CV     1
 OR { 1813}
   (  segid "    " and resid 11   and name HD1%)
   (( segid "    " and resid 10   and name HD21))
 ASSI { 1820}
   (  segid "    " and resid 65   and name HB% )
   (( segid "    " and resid 65   and name HN  ))
      6.000     4.500     0.000 peak  1820 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.461 ppm2      8.401 CV     1
 ASSI { 1823}
   (  segid "    " and resid 65   and name HB% )
   (( segid "    " and resid 68   and name HN  ))
      6.000     4.500     0.000 peak  1823 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.457 ppm2      6.882 CV     1
 ASSI { 1825}
   (  segid "    " and resid 5    and name HG2%)
   (( segid "    " and resid 6    and name HN  ))
      6.000     4.500     0.000 peak  1825 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.863 ppm2     10.002 CV     1
 ASSI { 1826}
   (  segid "    " and resid 5    and name HG2%)
   (( segid "    " and resid 5    and name HN  ))
      6.000     4.500     0.000 peak  1826 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.862 ppm2      9.506 CV     1
 ASSI { 1830}
   (  segid "    " and resid 76   and name HG2%)
   (( segid "    " and resid 80   and name HE21))
      6.000     4.500     0.000 peak  1830 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.826 ppm2      7.434 CV     1
 ASSI { 1832}
   (  segid "    " and resid 33   and name HG2%)
   (( segid "    " and resid 34   and name HN  ))
      6.000     4.500     0.000 peak  1832 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.780 ppm2      9.180 CV     1
 ASSI { 1835}
   (  segid "    " and resid 33   and name HG2%)
   (( segid "    " and resid 35   and name HN  ))
      6.000     4.500     0.000 peak  1835 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.779 ppm2      7.339 CV     1
 ASSI { 1846}
   (  segid "    " and resid 20   and name HB% )
   (( segid "    " and resid 21   and name HN  ))
      6.000     4.500     0.000 peak  1846 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.452 ppm2      8.478 CV     1
 ASSI { 1847}
   (  segid "    " and resid 20   and name HB% )
   (( segid "    " and resid 20   and name HN  ))
      6.000     4.500     0.000 peak  1847 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.452 ppm2      8.139 CV     1
 ASSI { 1850}
   (  segid "    " and resid 28   and name HG2%)
   (( segid "    " and resid 72   and name HN  ))
      6.000     4.500     0.000 peak  1850 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.604 ppm2      7.805 CV     1
 ASSI { 1851}
   (  segid "    " and resid 28   and name HG2%)
   (( segid "    " and resid 28   and name HN  ))
      6.000     4.500     0.000 peak  1851 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.606 ppm2      7.189 CV     1
 ASSI { 1854}
   (  segid "    " and resid 12   and name HB% )
   (( segid "    " and resid 12   and name HN  ))
      6.000     4.500     0.000 peak  1854 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.251 ppm2      8.157 CV     1
 ASSI { 1855}
   (  segid "    " and resid 12   and name HB% )
   (( segid "    " and resid 17   and name HE21))
      6.000     4.500     0.000 peak  1855 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.249 ppm2      7.720 CV     1
 ASSI { 1856}
   (  segid "    " and resid 12   and name HB% )
   (( segid "    " and resid 17   and name HE22))
      6.000     4.500     0.000 peak  1856 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.249 ppm2      6.852 CV     1
 ASSI { 1858}
   (  segid "    " and resid 151  and name HB% )
   (( segid "    " and resid 150  and name HN  ))
      6.000     4.500     0.000 peak  1858 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.205 ppm2      7.838 CV     1
 ASSI { 1859}
   (  segid "    " and resid 151  and name HB% )
   (( segid "    " and resid 151  and name HN  ))
      6.000     4.500     0.000 peak  1859 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.209 ppm2      7.525 CV     1
 ASSI { 1868}
   (  segid "    " and resid 131  and name HD1%)
   (( segid "    " and resid 37   and name HN  ))
      6.000     4.500     0.000 peak  1868 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.886 ppm2      9.121 CV     1
 ASSI { 1869}
   (  segid "    " and resid 131  and name HD1%)
   (( segid "    " and resid 59   and name HN  ))
      6.000     4.500     0.000 peak  1869 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.886 ppm2      8.533 CV     1
 ASSI { 1870}
   (  segid "    " and resid 131  and name HD1%)
   (( segid "    " and resid 132  and name HN  ))
      6.000     4.500     0.000 peak  1870 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.887 ppm2      8.315 CV     1
 ASSI { 1872}
   (  segid "    " and resid 131  and name HD1%)
   (  segid "    " and resid 4    and name HD% )
      6.000     4.500     0.000 peak  1872 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.885 ppm2      6.838 CV     1
 ASSI { 1873}
   (  segid "    " and resid 131  and name HD1%)
   (( segid "    " and resid 128  and name HN  ))
      6.000     4.500     0.000 peak  1873 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.885 ppm2      6.589 CV     1
 ASSI { 1874}
   (  segid "    " and resid 131  and name HD1%)
   (( segid "    " and resid 57   and name HA  ))
      6.000     4.500     0.000 peak  1874 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.886 ppm2      5.660 CV     1
 ASSI { 1879}
   (  segid "    " and resid 28   and name HD1%)
   (( segid "    " and resid 28   and name HN  ))
      6.000     4.500     0.000 peak  1879 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.813 ppm2      7.173 CV     1
 ASSI { 1880}
   (  segid "    " and resid 7    and name HD1%)
   (( segid "    " and resid 7    and name HN  ))
      6.000     4.500     0.000 peak  1880 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.684 ppm2      8.979 CV     1
 ASSI { 1887}
   (  segid "    " and resid 7    and name HD1%)
   (( segid "    " and resid 5    and name HN  ))
      6.000     4.500     0.000 peak  1887 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.684 ppm2      9.521 CV     1
 ASSI { 1889}
   (  segid "    " and resid 7    and name HD1%)
   (( segid "    " and resid 8    and name HN  ))
      6.000     4.500     0.000 peak  1889 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.685 ppm2      8.727 CV     1
 ASSI { 1898}
   (  segid "    " and resid 33   and name HD1%)
   (( segid "    " and resid 25   and name HN  ))
      6.000     4.500     0.000 peak  1898 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.912 ppm2      9.338 CV     1
 ASSI { 1899}
   (  segid "    " and resid 33   and name HD1%)
   (( segid "    " and resid 34   and name HN  ))
      6.000     4.500     0.000 peak  1899 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.910 ppm2      9.182 CV     1
 ASSI { 1900}
   (  segid "    " and resid 33   and name HD1%)
   (( segid "    " and resid 26   and name HN  ))
      6.000     4.500     0.000 peak  1900 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.913 ppm2      7.498 CV     1
 ASSI { 1901}
   (  segid "    " and resid 33   and name HD1%)
   (( segid "    " and resid 35   and name HN  ))
      6.000     4.500     0.000 peak  1901 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.911 ppm2      7.340 CV     1
 ASSI { 1902}
   (  segid "    " and resid 98   and name HG2%)
   (( segid "    " and resid 99   and name HN  ))
      6.000     4.500     0.000 peak  1902 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.821 ppm2      9.596 CV     1
 ASSI { 1905}
   (  segid "    " and resid 98   and name HG2%)
   (  segid "    " and resid 101  and name HD% )
      6.000     4.500     0.000 peak  1905 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.816 ppm2      7.049 CV     1
 ASSI { 1907}
   (( segid "    " and resid 112  and name HB  ))
   (  segid "    " and resid 112  and name HG2%)
      6.000     4.500     0.000 peak  1907 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.375 ppm2      1.469 CV     1
 ASSI { 1909}
   (( segid "    " and resid 62   and name HB  ))
   (( segid "    " and resid 64   and name HB1 ))
      6.000     4.500     0.000 peak  1909 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.833 ppm2      1.506 CV     1
 ASSI { 1911}
   (( segid "    " and resid 62   and name HB  ))
   (  segid "    " and resid 62   and name HG2%)
      6.000     4.500     0.000 peak  1911 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.835 ppm2      1.110 CV     1
 ASSI { 1912}
   (( segid "    " and resid 62   and name HB  ))
   (  segid "    " and resid 60   and name HD1%)
      6.000     4.500     0.000 peak  1912 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.834 ppm2      0.734 CV     1
 ASSI { 1915}
   (( segid "    " and resid 35   and name HB  ))
   (( segid "    " and resid 131  and name HB  ))
      6.000     4.500     0.000 peak  1915 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.120 ppm2      2.146 CV     1
 ASSI { 1919}
   (( segid "    " and resid 35   and name HB  ))
   (  segid "    " and resid 35   and name HG2%)
      6.000     4.500     0.000 peak  1919 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.122 ppm2      1.272 CV     1
 ASSI { 1922}
   (( segid "    " and resid 35   and name HB  ))
   (  segid "    " and resid 131  and name HG2%)
      6.000     4.500     0.000 peak  1922 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.122 ppm2      0.855 CV     1
 ASSI { 1923}
   (( segid "    " and resid 149  and name HB  ))
   (( segid "    " and resid 149  and name HA  ))
      6.000     4.500     0.000 peak  1923 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.197 ppm2      4.035 CV     1
 ASSI { 1925}
   (( segid "    " and resid 149  and name HB  ))
   (( segid "    " and resid 150  and name HG2 ))
      6.000     4.500     0.000 peak  1925 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.200 ppm2      1.433 CV     1
 ASSI { 1926}
   (( segid "    " and resid 149  and name HB  ))
   (  segid "    " and resid 149  and name HG2%)
      6.000     4.500     0.000 peak  1926 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.197 ppm2      1.275 CV     1
 ASSI { 1927}
   (( segid "    " and resid 1    and name HB  ))
   (( segid "    " and resid 66   and name HD1 ))
      6.000     4.500     0.000 peak  1927 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.556 ppm2      3.414 CV     1
 ASSI { 1928}
   (( segid "    " and resid 1    and name HB  ))
   (( segid "    " and resid 1    and name HG21))
      6.000     4.500     0.000 peak  1928 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.555 ppm2      0.558 CV     1
 ASSI { 1929}
   (( segid "    " and resid 1    and name HB  ))
   (  segid "    " and resid 62   and name HG2%)
      6.000     4.500     0.000 peak  1929 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.551 ppm2      1.112 CV     1
 ASSI { 1930}
   (( segid "    " and resid 42   and name HB  ))
   (( segid "    " and resid 43   and name HD2 ))
      6.000     4.500     0.000 peak  1930 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.376 ppm2      3.828 CV     1
 OR { 1930}
   (( segid "    " and resid 42   and name HB  ))
   (( segid "    " and resid 43   and name HD1 ))
 ASSI { 1931}
   (( segid "    " and resid 42   and name HB  ))
   (  segid "    " and resid 42   and name HG2%)
      6.000     4.500     0.000 peak  1931 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.376 ppm2      1.442 CV     1
 ASSI { 1932}
   (( segid "    " and resid 93   and name HB  ))
   (( segid "    " and resid 17   and name HG1 ))
      6.000     4.500     0.000 peak  1932 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.123 ppm2      2.641 CV     1
 ASSI { 1933}
   (( segid "    " and resid 93   and name HB  ))
   (  segid "    " and resid 93   and name HG2%)
      6.000     4.500     0.000 peak  1933 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.120 ppm2      1.217 CV     1
 ASSI { 1937}
   (( segid "    " and resid 31   and name HB1 ))
   (( segid "    " and resid 62   and name HB  ))
      6.000     4.500     0.000 peak  1937 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.598 ppm2      3.835 CV     1
 OR { 1937}
   (( segid "    " and resid 31   and name HB2 ))
   (( segid "    " and resid 62   and name HB  ))
 ASSI { 1938}
   (( segid "    " and resid 31   and name HB1 ))
   (( segid "    " and resid 60   and name HG  ))
      6.000     4.500     0.000 peak  1938 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.594 ppm2      1.291 CV     1
 OR { 1938}
   (( segid "    " and resid 31   and name HB2 ))
   (( segid "    " and resid 60   and name HG  ))
 ASSI { 1939}
   (( segid "    " and resid 31   and name HB1 ))
   (  segid "    " and resid 62   and name HG2%)
      6.000     4.500     0.000 peak  1939 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.588 ppm2      1.101 CV     1
 OR { 1939}
   (( segid "    " and resid 31   and name HB2 ))
   (  segid "    " and resid 62   and name HG2%)
 ASSI { 1940}
   (( segid "    " and resid 31   and name HB1 ))
   (  segid "    " and resid 60   and name HD2%)
      6.000     4.500     0.000 peak  1940 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.591 ppm2      0.705 CV     1
 OR { 1940}
   (( segid "    " and resid 31   and name HB2 ))
   (  segid "    " and resid 60   and name HD2%)
 ASSI { 1944}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 21   and name HA  ))
      6.000     4.500     0.000 peak  1944 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.431 ppm2      4.131 CV     1
 ASSI { 1945}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 17   and name HB2 ))
      6.000     4.500     0.000 peak  1945 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.432 ppm2      2.151 CV     1
 OR { 1945}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 17   and name HB1 ))
 ASSI { 1946}
   (( segid "    " and resid 18   and name HA  ))
   (  segid "    " and resid 21   and name HB% )
      6.000     4.500     0.000 peak  1946 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.432 ppm2      1.553 CV     1
 ASSI { 1949}
   (( segid "    " and resid 18   and name HA  ))
   (  segid "    " and resid 18   and name HG1%)
      6.000     4.500     0.000 peak  1949 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.432 ppm2      0.641 CV     1
 ASSI { 1950}
   (( segid "    " and resid 18   and name HA  ))
   (  segid "    " and resid 18   and name HG2%)
      6.000     4.500     0.000 peak  1950 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.431 ppm2      0.237 CV     1
 ASSI { 1951}
   (( segid "    " and resid 73   and name HB  ))
   (( segid "    " and resid 73   and name HA  ))
      6.000     4.500     0.000 peak  1951 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.960 ppm2      4.320 CV     1
 ASSI { 1952}
   (( segid "    " and resid 73   and name HB  ))
   (( segid "    " and resid 76   and name HG12))
      6.000     4.500     0.000 peak  1952 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.959 ppm2      2.134 CV     1
 OR { 1952}
   (( segid "    " and resid 73   and name HB  ))
   (( segid "    " and resid 76   and name HG11))
 ASSI { 1954}
   (( segid "    " and resid 73   and name HB  ))
   (  segid "    " and resid 73   and name HG2%)
      6.000     4.500     0.000 peak  1954 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.964 ppm2      1.092 CV     1
 ASSI { 1958}
   (( segid "    " and resid 73   and name HA  ))
   (  segid "    " and resid 73   and name HG2%)
      6.000     4.500     0.000 peak  1958 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.311 ppm2      1.089 CV     1
 ASSI { 1966}
   (( segid "    " and resid 66   and name HA  ))
   (( segid "    " and resid 69   and name HB1 ))
      6.000     4.500     0.000 peak  1966 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.362 ppm2      2.211 CV     1
 ASSI { 1967}
   (( segid "    " and resid 66   and name HA  ))
   (( segid "    " and resid 66   and name HG1 ))
      6.000     4.500     0.000 peak  1967 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.363 ppm2      1.740 CV     1
 ASSI { 1968}
   (( segid "    " and resid 66   and name HA  ))
   (  segid "    " and resid 65   and name HB% )
      6.000     4.500     0.000 peak  1968 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.362 ppm2      1.443 CV     1
 ASSI { 1969}
   (( segid "    " and resid 66   and name HA  ))
   (  segid "    " and resid 111  and name HD2%)
      6.000     4.500     0.000 peak  1969 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.356 ppm2      0.362 CV     1
 ASSI { 1974}
   (( segid "    " and resid 66   and name HA  ))
   (( segid "    " and resid 66   and name HB2 ))
      6.000     4.500     0.000 peak  1974 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.360 ppm2      1.290 CV     1
 ASSI { 1975}
   (( segid "    " and resid 66   and name HA  ))
   (( segid "    " and resid 66   and name HG2 ))
      6.000     4.500     0.000 peak  1975 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.362 ppm2      0.782 CV     1
 ASSI { 1976}
   (( segid "    " and resid 66   and name HA  ))
   (( segid "    " and resid 66   and name HB1 ))
      6.000     4.500     0.000 peak  1976 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.360 ppm2      0.557 CV     1
 ASSI { 1977}
   (( segid "    " and resid 66   and name HA  ))
   (( segid "    " and resid 69   and name HG  ))
      6.000     4.500     0.000 peak  1977 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.357 ppm2      1.611 CV     1
 ASSI { 1978}
   (( segid "    " and resid 66   and name HA  ))
   (  segid "    " and resid 69   and name HD2%)
      6.000     4.500     0.000 peak  1978 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.356 ppm2      1.010 CV     1
 ASSI { 1979}
   (( segid "    " and resid 127  and name HA  ))
   (( segid "    " and resid 127  and name HG1 ))
      6.000     4.500     0.000 peak  1979 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.548 ppm2      1.559 CV     1
 ASSI { 1980}
   (( segid "    " and resid 127  and name HA  ))
   (( segid "    " and resid 127  and name HB2 ))
      6.000     4.500     0.000 peak  1980 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.540 ppm2      2.700 CV     1
 ASSI { 1981}
   (( segid "    " and resid 138  and name HA  ))
   (( segid "    " and resid 138  and name HD1 ))
      6.000     4.500     0.000 peak  1981 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.501 ppm2      4.039 CV     1
 OR { 1981}
   (( segid "    " and resid 138  and name HA  ))
   (( segid "    " and resid 138  and name HD2 ))
 ASSI { 1983}
   (( segid "    " and resid 37   and name HB1 ))
   (( segid "    " and resid 37   and name HA  ))
      6.000     4.500     0.000 peak  1983 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.089 ppm2      4.266 CV     1
 ASSI { 1985}
   (( segid "    " and resid 37   and name HB1 ))
   (( segid "    " and resid 127  and name HB2 ))
      6.000     4.500     0.000 peak  1985 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.084 ppm2      2.681 CV     1
 ASSI { 1986}
   (( segid "    " and resid 37   and name HB1 ))
   (  segid "    " and resid 131  and name HG2%)
      6.000     4.500     0.000 peak  1986 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.083 ppm2      0.852 CV     1
 ASSI { 1987}
   (( segid "    " and resid 9    and name HB2 ))
   (( segid "    " and resid 14   and name HB1 ))
      6.000     4.500     0.000 peak  1987 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.894 ppm2      1.889 CV     1
 ASSI { 1988}
   (( segid "    " and resid 9    and name HB2 ))
   (( segid "    " and resid 9    and name HB1 ))
      6.000     4.500     0.000 peak  1988 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.880 ppm2      3.095 CV     1
 ASSI { 1989}
   (( segid "    " and resid 9    and name HB2 ))
   (( segid "    " and resid 17   and name HB2 ))
      6.000     4.500     0.000 peak  1989 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.874 ppm2      2.161 CV     1
 OR { 1989}
   (( segid "    " and resid 9    and name HB2 ))
   (( segid "    " and resid 17   and name HB1 ))
 ASSI { 1990}
   (( segid "    " and resid 9    and name HB2 ))
   (  segid "    " and resid 94   and name HD1%)
      6.000     4.500     0.000 peak  1990 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.874 ppm2      0.872 CV     1
 OR { 1990}
   (( segid "    " and resid 9    and name HB2 ))
   (  segid "    " and resid 94   and name HD2%)
 ASSI { 1992}
   (( segid "    " and resid 9    and name HB2 ))
   (( segid "    " and resid 9    and name HA  ))
      6.000     4.500     0.000 peak  1992 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.864 ppm2      4.154 CV     1
 ASSI { 1994}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 79   and name HG2 ))
      6.000     4.500     0.000 peak  1994 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.596 ppm2      2.667 CV     1
 ASSI { 1995}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 75   and name HB2 ))
      6.000     4.500     0.000 peak  1995 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.599 ppm2      2.314 CV     1
 ASSI { 1996}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 76   and name HG12))
      6.000     4.500     0.000 peak  1996 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.599 ppm2      2.121 CV     1
 OR { 1996}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 76   and name HG11))
 ASSI { 1997}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 76   and name HB  ))
      6.000     4.500     0.000 peak  1997 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.598 ppm2      1.851 CV     1
 ASSI { 1998}
   (( segid "    " and resid 76   and name HA  ))
   (  segid "    " and resid 76   and name HG2%)
      6.000     4.500     0.000 peak  1998 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.601 ppm2      0.847 CV     1
 ASSI { 2001}
   (( segid "    " and resid 9    and name HB1 ))
   (( segid "    " and resid 9    and name HA  ))
      6.000     4.500     0.000 peak  2001 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.100 ppm2      4.159 CV     1
 ASSI { 2002}
   (( segid "    " and resid 9    and name HB1 ))
   (( segid "    " and resid 17   and name HG1 ))
      6.000     4.500     0.000 peak  2002 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.106 ppm2      2.604 CV     1
 OR { 2002}
   (( segid "    " and resid 9    and name HB1 ))
   (( segid "    " and resid 17   and name HG2 ))
 ASSI { 2003}
   (( segid "    " and resid 9    and name HB1 ))
   (  segid "    " and resid 94   and name HD1%)
      6.000     4.500     0.000 peak  2003 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.103 ppm2      0.888 CV     1
 OR { 2003}
   (( segid "    " and resid 9    and name HB1 ))
   (  segid "    " and resid 94   and name HD2%)
 ASSI { 2004}
   (( segid "    " and resid 9    and name HB1 ))
   (  segid "    " and resid 18   and name HG2%)
      6.000     6.000     0.000 peak  2004 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.101 ppm2      0.242 CV     1
 ASSI { 2006}
   (( segid "    " and resid 9    and name HB1 ))
   (( segid "    " and resid 17   and name HB2 ))
      6.000     4.500     0.000 peak  2006 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.091 ppm2      2.168 CV     1
 OR { 2006}
   (( segid "    " and resid 9    and name HB1 ))
   (( segid "    " and resid 17   and name HB1 ))
 ASSI { 2007}
   (( segid "    " and resid 9    and name HB1 ))
   (( segid "    " and resid 14   and name HB1 ))
      6.000     4.500     0.000 peak  2007 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.096 ppm2      1.889 CV     1
 ASSI { 2009}
   (( segid "    " and resid 9    and name HB1 ))
   (( segid "    " and resid 14   and name HB2 ))
      6.000     4.500     0.000 peak  2009 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.096 ppm2      1.161 CV     1
 ASSI { 2012}
   (( segid "    " and resid 138  and name HA  ))
   (( segid "    " and resid 138  and name HB1 ))
      6.000     4.500     0.000 peak  2012 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.497 ppm2      2.413 CV     1
 ASSI { 2013}
   (( segid "    " and resid 138  and name HA  ))
   (( segid "    " and resid 138  and name HG1 ))
      6.000     4.500     0.000 peak  2013 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.497 ppm2      1.996 CV     1
 OR { 2013}
   (( segid "    " and resid 138  and name HA  ))
   (( segid "    " and resid 138  and name HG2 ))
 ASSI { 2014}
   (( segid "    " and resid 138  and name HA  ))
   (( segid "    " and resid 138  and name HB2 ))
      6.000     4.500     0.000 peak  2014 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.496 ppm2      1.844 CV     1
 ASSI { 2015}
   (( segid "    " and resid 146  and name HA  ))
   (( segid "    " and resid 145  and name HG2 ))
      6.000     4.500     0.000 peak  2015 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.667 ppm2      2.485 CV     1
 ASSI { 2016}
   (( segid "    " and resid 146  and name HA  ))
   (( segid "    " and resid 149  and name HB  ))
      6.000     4.500     0.000 peak  2016 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.657 ppm2      4.202 CV     1
 ASSI { 2017}
   (( segid "    " and resid 146  and name HA  ))
   (( segid "    " and resid 146  and name HB  ))
      6.000     4.500     0.000 peak  2017 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.655 ppm2      1.795 CV     1
 ASSI { 2018}
   (( segid "    " and resid 146  and name HA  ))
   (( segid "    " and resid 146  and name HG11))
      6.000     4.500     0.000 peak  2018 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.656 ppm2      1.602 CV     1
 ASSI { 2019}
   (( segid "    " and resid 146  and name HA  ))
   (  segid "    " and resid 149  and name HG2%)
      6.000     4.500     0.000 peak  2019 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.651 ppm2      1.282 CV     1
 ASSI { 2020}
   (( segid "    " and resid 146  and name HA  ))
   (( segid "    " and resid 146  and name HG12))
      6.000     4.500     0.000 peak  2020 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.654 ppm2      0.978 CV     1
 ASSI { 2021}
   (( segid "    " and resid 146  and name HA  ))
   (  segid "    " and resid 146  and name HG2%)
      6.000     4.500     0.000 peak  2021 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.654 ppm2      0.748 CV     1
 ASSI { 2023}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 14   and name HG1 ))
      6.000     4.500     0.000 peak  2023 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.315 ppm2      1.434 CV     1
 ASSI { 2024}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 14   and name HB2 ))
      6.000     4.500     0.000 peak  2024 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.316 ppm2      1.145 CV     1
 ASSI { 2028}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 14   and name HD2 ))
      6.000     4.500     0.000 peak  2028 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.328 ppm2      3.716 CV     1
 ASSI { 2029}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 17   and name HG1 ))
      6.000     4.500     0.000 peak  2029 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.326 ppm2      2.648 CV     1
 OR { 2029}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 17   and name HG2 ))
 ASSI { 2030}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 9    and name HB2 ))
      6.000     4.500     0.000 peak  2030 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.317 ppm2      3.884 CV     1
 ASSI { 2031}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 9    and name HB1 ))
      6.000     4.500     0.000 peak  2031 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.314 ppm2      3.087 CV     1
 ASSI { 2032}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 14   and name HB1 ))
      6.000     4.500     0.000 peak  2032 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.314 ppm2      1.873 CV     1
 ASSI { 2033}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 54   and name HB2 ))
      6.000     4.500     0.000 peak  2033 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.316 ppm2      0.957 CV     1
 ASSI { 2035}
   (( segid "    " and resid 133  and name HA  ))
   (( segid "    " and resid 129  and name HA  ))
      6.000     4.500     0.000 peak  2035 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.121 ppm2      3.871 CV     1
 ASSI { 2036}
   (( segid "    " and resid 133  and name HA  ))
   (( segid "    " and resid 133  and name HD1 ))
      6.000     4.500     0.000 peak  2036 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.122 ppm2      3.445 CV     1
 ASSI { 2037}
   (( segid "    " and resid 133  and name HA  ))
   (( segid "    " and resid 133  and name HG2 ))
      6.000     4.500     0.000 peak  2037 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.118 ppm2      1.790 CV     1
 OR { 2037}
   (( segid "    " and resid 133  and name HA  ))
   (( segid "    " and resid 133  and name HG1 ))
 ASSI { 2038}
   (( segid "    " and resid 133  and name HA  ))
   (( segid "    " and resid 133  and name HB2 ))
      6.000     4.500     0.000 peak  2038 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.120 ppm2      1.601 CV     1
 ASSI { 2040}
   (( segid "    " and resid 133  and name HA  ))
   (( segid "    " and resid 143  and name HG  ))
      6.000     4.500     0.000 peak  2040 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.121 ppm2      0.981 CV     1
 ASSI { 2044}
   (( segid "    " and resid 149  and name HA  ))
   (( segid "    " and resid 150  and name HG2 ))
      6.000     6.000     0.000 peak  2044 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.030 ppm2      1.431 CV     1
 ASSI { 2045}
   (( segid "    " and resid 149  and name HA  ))
   (  segid "    " and resid 149  and name HG2%)
      6.000     4.500     0.000 peak  2045 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.022 ppm2      1.279 CV     1
 ASSI { 2051}
   (( segid "    " and resid 133  and name HA  ))
   (( segid "    " and resid 133  and name HD2 ))
      6.000     4.500     0.000 peak  2051 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.123 ppm2      3.126 CV     1
 ASSI { 2052}
   (( segid "    " and resid 63   and name HB2 ))
   (( segid "    " and resid 30   and name HB2 ))
      6.000     4.500     0.000 peak  2052 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.099 ppm2      2.418 CV     1
 OR { 2052}
   (( segid "    " and resid 63   and name HB1 ))
   (( segid "    " and resid 30   and name HB2 ))
 ASSI { 2055}
   (( segid "    " and resid 93   and name HA  ))
   (( segid "    " and resid 10   and name HB2 ))
      6.000     4.500     0.000 peak  2055 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.047 ppm2      2.417 CV     1
 ASSI { 2057}
   (( segid "    " and resid 47   and name HA  ))
   (( segid "    " and resid 47   and name HB1 ))
      6.000     4.500     0.000 peak  2057 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.479 ppm2      2.448 CV     1
 ASSI { 2058}
   (( segid "    " and resid 47   and name HA  ))
   (( segid "    " and resid 48   and name HA  ))
      6.000     4.500     0.000 peak  2058 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.474 ppm2      4.338 CV     1
 ASSI { 2059}
   (( segid "    " and resid 47   and name HA  ))
   (( segid "    " and resid 47   and name HG2 ))
      6.000     4.500     0.000 peak  2059 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.477 ppm2      2.019 CV     1
 ASSI { 2060}
   (( segid "    " and resid 98   and name HA  ))
   (( segid "    " and resid 98   and name HG11))
      6.000     4.500     0.000 peak  2060 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.176 ppm2      0.985 CV     1
 ASSI { 2064}
   (( segid "    " and resid 63   and name HB2 ))
   (( segid "    " and resid 30   and name HB1 ))
      6.000     4.500     0.000 peak  2064 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.096 ppm2      2.008 CV     1
 OR { 2064}
   (( segid "    " and resid 63   and name HB1 ))
   (( segid "    " and resid 30   and name HB1 ))
 ASSI { 2065}
   (( segid "    " and resid 63   and name HB2 ))
   (( segid "    " and resid 64   and name HB1 ))
      6.000     4.500     0.000 peak  2065 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.066 ppm2      1.498 CV     1
 OR { 2065}
   (( segid "    " and resid 63   and name HB1 ))
   (( segid "    " and resid 64   and name HB1 ))
 ASSI { 2067}
   (( segid "    " and resid 93   and name HA  ))
   (( segid "    " and resid 9    and name HB2 ))
      6.000     4.500     0.000 peak  2067 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.041 ppm2      3.907 CV     1
 ASSI { 2068}
   (( segid "    " and resid 93   and name HA  ))
   (( segid "    " and resid 92   and name HD2 ))
      6.000     4.500     0.000 peak  2068 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.033 ppm2      3.554 CV     1
 ASSI { 2069}
   (( segid "    " and resid 93   and name HA  ))
   (( segid "    " and resid 17   and name HG1 ))
      6.000     4.500     0.000 peak  2069 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.027 ppm2      2.642 CV     1
 ASSI { 2070}
   (( segid "    " and resid 93   and name HA  ))
   (  segid "    " and resid 11   and name HD1%)
      6.000     4.500     0.000 peak  2070 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.030 ppm2      0.731 CV     1
 OR { 2070}
   (( segid "    " and resid 93   and name HA  ))
   (  segid "    " and resid 11   and name HD2%)
 ASSI { 2071}
   (( segid "    " and resid 93   and name HA  ))
   (  segid "    " and resid 93   and name HG2%)
      6.000     4.500     0.000 peak  2071 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.014 ppm2      1.221 CV     1
 ASSI { 2072}
   (( segid "    " and resid 93   and name HA  ))
   (( segid "    " and resid 11   and name HB2 ))
      6.000     4.500     0.000 peak  2072 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.019 ppm2      0.959 CV     1
 ASSI { 2074}
   (( segid "    " and resid 29   and name HA  ))
   (( segid "    " and resid 30   and name HA  ))
      6.000     4.500     0.000 peak  2074 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.344 ppm2      3.921 CV     1
 ASSI { 2075}
   (( segid "    " and resid 29   and name HA  ))
   (( segid "    " and resid 29   and name HD2 ))
      6.000     4.500     0.000 peak  2075 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.343 ppm2      3.662 CV     1
 ASSI { 2076}
   (( segid "    " and resid 29   and name HA  ))
   (( segid "    " and resid 29   and name HB2 ))
      6.000     4.500     0.000 peak  2076 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.341 ppm2      2.397 CV     1
 ASSI { 2077}
   (( segid "    " and resid 29   and name HA  ))
   (( segid "    " and resid 29   and name HG1 ))
      6.000     4.500     0.000 peak  2077 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.341 ppm2      2.064 CV     1
 ASSI { 2078}
   (( segid "    " and resid 29   and name HA  ))
   (( segid "    " and resid 29   and name HB1 ))
      6.000     4.500     0.000 peak  2078 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.342 ppm2      1.908 CV     1
 ASSI { 2079}
   (( segid "    " and resid 98   and name HA  ))
   (( segid "    " and resid 99   and name HB1 ))
      6.000     4.500     0.000 peak  2079 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.207 ppm2      2.159 CV     1
 ASSI { 2080}
   (( segid "    " and resid 44   and name HA  ))
   (( segid "    " and resid 44   and name HB1 ))
      6.000     4.500     0.000 peak  2080 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.209 ppm2      1.930 CV     1
 OR { 2080}
   (( segid "    " and resid 44   and name HA  ))
   (( segid "    " and resid 44   and name HB2 ))
 ASSI { 2081}
   (( segid "    " and resid 98   and name HA  ))
   (( segid "    " and resid 5    and name HG12))
      6.000     4.500     0.000 peak  2081 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.198 ppm2      1.593 CV     1
 OR { 2081}
   (( segid "    " and resid 98   and name HA  ))
   (( segid "    " and resid 5    and name HG11))
 ASSI { 2084}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 33   and name HG12))
      6.000     4.500     0.000 peak  2084 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.898 ppm2      1.591 CV     1
 OR { 2084}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 33   and name HG11))
 ASSI { 2086}
   (( segid "    " and resid 33   and name HA  ))
   (  segid "    " and resid 59   and name HB% )
      6.000     4.500     0.000 peak  2086 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.891 ppm2      1.279 CV     1
 ASSI { 2087}
   (( segid "    " and resid 2    and name HA  ))
   (  segid "    " and resid 3    and name HB% )
      6.000     4.500     0.000 peak  2087 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.233 ppm2      1.238 CV     1
 ASSI { 2088}
   (( segid "    " and resid 2    and name HA  ))
   (  segid "    " and resid 2    and name HG2%)
      6.000     4.500     0.000 peak  2088 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.231 ppm2      0.777 CV     1
 ASSI { 2089}
   (( segid "    " and resid 2    and name HA  ))
   (  segid "    " and resid 2    and name HG1%)
      6.000     4.500     0.000 peak  2089 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.231 ppm2      0.131 CV     1
 ASSI { 2090}
   (( segid "    " and resid 2    and name HA  ))
   (( segid "    " and resid 2    and name HB  ))
      6.000     4.500     0.000 peak  2090 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.226 ppm2      1.761 CV     1
 ASSI { 2092}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 51   and name HB2 ))
      6.000     4.500     0.000 peak  2092 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.456 ppm2      2.446 CV     1
 ASSI { 2093}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 51   and name HB1 ))
      6.000     4.500     0.000 peak  2093 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.451 ppm2      2.146 CV     1
 ASSI { 2094}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 51   and name HG1 ))
      6.000     4.500     0.000 peak  2094 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.450 ppm2      1.872 CV     1
 ASSI { 2096}
   (( segid "    " and resid 1    and name HA  ))
   (( segid "    " and resid 2    and name HB  ))
      6.000     4.500     0.000 peak  2096 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.637 ppm2      1.763 CV     1
 ASSI { 2097}
   (( segid "    " and resid 1    and name HA  ))
   (  segid "    " and resid 2    and name HG2%)
      6.000     4.500     0.000 peak  2097 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.637 ppm2      0.785 CV     1
 ASSI { 2098}
   (( segid "    " and resid 1    and name HA  ))
   (( segid "    " and resid 1    and name HG21))
      6.000     4.500     0.000 peak  2098 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.638 ppm2      0.558 CV     1
 ASSI { 2100}
   (( segid "    " and resid 83   and name HA  ))
   (  segid "    " and resid 83   and name HG2%)
      6.000     4.500     0.000 peak  2100 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.271 ppm2      0.980 CV     1
 OR { 2100}
   (( segid "    " and resid 83   and name HA  ))
   (  segid "    " and resid 83   and name HG1%)
 ASSI { 2101}
   (( segid "    " and resid 158  and name HA  ))
   (( segid "    " and resid 158  and name HB2 ))
      6.000     4.500     0.000 peak  2101 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.974 ppm2      3.064 CV     1
 ASSI { 2102}
   (( segid "    " and resid 158  and name HA  ))
   (( segid "    " and resid 41   and name HB2 ))
      6.000     4.500     0.000 peak  2102 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.972 ppm2      1.738 CV     1
 OR { 2102}
   (( segid "    " and resid 158  and name HA  ))
   (( segid "    " and resid 41   and name HB1 ))
 ASSI { 2103}
   (( segid "    " and resid 158  and name HA  ))
   (( segid "    " and resid 41   and name HG1 ))
      6.000     4.500     0.000 peak  2103 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.977 ppm2      1.296 CV     1
 ASSI { 2104}
   (( segid "    " and resid 158  and name HA  ))
   (( segid "    " and resid 158  and name HB1 ))
      6.000     4.500     0.000 peak  2104 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.966 ppm2      2.783 CV     1
 ASSI { 2105}
   (( segid "    " and resid 38   and name HB1 ))
   (( segid "    " and resid 157  and name HE1 ))
      6.000     4.500     0.000 peak  2105 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.739 ppm2      2.968 CV     1
 OR { 2105}
   (( segid "    " and resid 38   and name HB1 ))
   (( segid "    " and resid 157  and name HE2 ))
 ASSI { 2106}
   (( segid "    " and resid 38   and name HB1 ))
   (( segid "    " and resid 37   and name HA  ))
      6.000     4.500     0.000 peak  2106 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.732 ppm2      4.270 CV     1
 ASSI { 2108}
   (( segid "    " and resid 38   and name HB2 ))
   (( segid "    " and resid 37   and name HA  ))
      6.000     4.500     0.000 peak  2108 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.537 ppm2      4.269 CV     1
 ASSI { 2109}
   (( segid "    " and resid 38   and name HB2 ))
   (( segid "    " and resid 38   and name HB1 ))
      6.000     4.500     0.000 peak  2109 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.535 ppm2      3.735 CV     1
 ASSI { 2110}
   (( segid "    " and resid 38   and name HB2 ))
   (( segid "    " and resid 157  and name HE1 ))
      6.000     4.500     0.000 peak  2110 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.535 ppm2      2.976 CV     1
 OR { 2110}
   (( segid "    " and resid 38   and name HB2 ))
   (( segid "    " and resid 157  and name HE2 ))
 ASSI { 2111}
   (( segid "    " and resid 38   and name HB2 ))
   (( segid "    " and resid 157  and name HG2 ))
      6.000     4.500     0.000 peak  2111 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.534 ppm2      1.624 CV     1
 ASSI { 2112}
   (( segid "    " and resid 13   and name HB2 ))
   (( segid "    " and resid 13   and name HB1 ))
      6.000     4.500     0.000 peak  2112 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.415 ppm2      4.149 CV     1
 ASSI { 2113}
   (( segid "    " and resid 13   and name HB2 ))
   (( segid "    " and resid 14   and name HD2 ))
      6.000     4.500     0.000 peak  2113 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.417 ppm2      3.703 CV     1
 ASSI { 2115}
   (( segid "    " and resid 13   and name HB2 ))
   (( segid "    " and resid 14   and name HD1 ))
      6.000     4.500     0.000 peak  2115 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.409 ppm2      3.613 CV     1
 ASSI { 2117}
   (( segid "    " and resid 13   and name HB2 ))
   (( segid "    " and resid 16   and name HB2 ))
      6.000     4.500     0.000 peak  2117 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.411 ppm2      2.159 CV     1
 ASSI { 2118}
   (( segid "    " and resid 13   and name HB2 ))
   (( segid "    " and resid 15   and name HB2 ))
      6.000     4.500     0.000 peak  2118 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.408 ppm2      1.740 CV     1
 ASSI { 2119}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 75   and name HG2 ))
      6.000     4.500     0.000 peak  2119 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.405 ppm2      1.626 CV     1
 ASSI { 2120}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 72   and name HB1 ))
      6.000     4.500     0.000 peak  2120 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.398 ppm2      3.458 CV     1
 ASSI { 2121}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 72   and name HB2 ))
      6.000     4.500     0.000 peak  2121 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.397 ppm2      2.957 CV     1
 ASSI { 2123}
   (( segid "    " and resid 83   and name HA  ))
   (( segid "    " and resid 82   and name HA  ))
      6.000     4.500     0.000 peak  2123 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.275 ppm2      4.406 CV     1
 ASSI { 2124}
   (( segid "    " and resid 83   and name HA  ))
   (( segid "    " and resid 83   and name HB  ))
      6.000     4.500     0.000 peak  2124 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.273 ppm2      2.117 CV     1
 ASSI { 2125}
   (( segid "    " and resid 83   and name HA  ))
   (( segid "    " and resid 82   and name HG1 ))
      6.000     4.500     0.000 peak  2125 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.271 ppm2      1.805 CV     1
 ASSI { 2127}
   (( segid "    " and resid 13   and name HB1 ))
   (( segid "    " and resid 14   and name HD2 ))
      6.000     4.500     0.000 peak  2127 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.156 ppm2      3.723 CV     1
 ASSI { 2129}
   (( segid "    " and resid 13   and name HB1 ))
   (( segid "    " and resid 16   and name HB1 ))
      6.000     4.500     0.000 peak  2129 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.158 ppm2      2.313 CV     1
 ASSI { 2130}
   (( segid "    " and resid 13   and name HB1 ))
   (( segid "    " and resid 16   and name HB2 ))
      6.000     4.500     0.000 peak  2130 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.158 ppm2      2.166 CV     1
 ASSI { 2132}
   (( segid "    " and resid 13   and name HB1 ))
   (( segid "    " and resid 12   and name HA  ))
      6.000     4.500     0.000 peak  2132 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.152 ppm2      3.893 CV     1
 ASSI { 2133}
   (( segid "    " and resid 136  and name HA  ))
   (  segid "    " and resid 136  and name HG2%)
      6.000     4.500     0.000 peak  2133 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.522 ppm2      1.034 CV     1
 OR { 2133}
   (( segid "    " and resid 136  and name HA  ))
   (  segid "    " and resid 136  and name HG1%)
 ASSI { 2134}
   (( segid "    " and resid 136  and name HA  ))
   (( segid "    " and resid 136  and name HB  ))
      6.000     4.500     0.000 peak  2134 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.515 ppm2      1.959 CV     1
 ASSI { 2135}
   (( segid "    " and resid 131  and name HA  ))
   (  segid "    " and resid 59   and name HB% )
      6.000     4.500     0.000 peak  2135 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.506 ppm2      1.275 CV     1
 ASSI { 2136}
   (( segid "    " and resid 131  and name HA  ))
   (  segid "    " and resid 131  and name HG2%)
      6.000     4.500     0.000 peak  2136 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.505 ppm2      0.845 CV     1
 ASSI { 2137}
   (( segid "    " and resid 131  and name HA  ))
   (( segid "    " and resid 131  and name HB  ))
      6.000     4.500     0.000 peak  2137 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.500 ppm2      2.155 CV     1
 ASSI { 2138}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 75   and name HB1 ))
      6.000     4.500     0.000 peak  2138 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.397 ppm2      1.911 CV     1
 ASSI { 2140}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 29   and name HD1 ))
      6.000     4.500     0.000 peak  2140 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.785 ppm2      2.756 CV     1
 ASSI { 2141}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 29   and name HG1 ))
      6.000     4.500     0.000 peak  2141 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.785 ppm2      2.059 CV     1
 ASSI { 2142}
   (( segid "    " and resid 28   and name HA  ))
   (  segid "    " and resid 28   and name HG2%)
      6.000     4.500     0.000 peak  2142 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.785 ppm2      0.606 CV     1
 ASSI { 2145}
   (( segid "    " and resid 106  and name HA  ))
   (( segid "    " and resid 106  and name HG12))
      6.000     4.500     0.000 peak  2145 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.324 ppm2      1.077 CV     1
 OR { 2145}
   (( segid "    " and resid 106  and name HA  ))
   (( segid "    " and resid 106  and name HG11))
 ASSI { 2146}
   (( segid "    " and resid 106  and name HA  ))
   (  segid "    " and resid 106  and name HG2%)
      6.000     4.500     0.000 peak  2146 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.324 ppm2      0.944 CV     1
 ASSI { 2147}
   (( segid "    " and resid 106  and name HA  ))
   (  segid "    " and resid 106  and name HD1%)
      6.000     4.500     0.000 peak  2147 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.327 ppm2      0.639 CV     1
 ASSI { 2150}
   (( segid "    " and resid 77   and name HA  ))
   (( segid "    " and resid 77   and name HB1 ))
      6.000     4.500     0.000 peak  2150 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.766 ppm2      2.591 CV     1
 ASSI { 2151}
   (( segid "    " and resid 77   and name HA  ))
   (( segid "    " and resid 77   and name HG1 ))
      6.000     4.500     0.000 peak  2151 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.766 ppm2      1.957 CV     1
 ASSI { 2153}
   (( segid "    " and resid 77   and name HA  ))
   (( segid "    " and resid 94   and name HB1 ))
      6.000     4.500     0.000 peak  2153 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.768 ppm2      1.555 CV     1
 OR { 2153}
   (( segid "    " and resid 77   and name HA  ))
   (( segid "    " and resid 94   and name HB2 ))
 ASSI { 2154}
   (( segid "    " and resid 77   and name HA  ))
   (  segid "    " and resid 96   and name HD2%)
      6.000     4.500     0.000 peak  2154 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.769 ppm2      1.137 CV     1
 OR { 2154}
   (( segid "    " and resid 77   and name HA  ))
   (  segid "    " and resid 96   and name HD1%)
 ASSI { 2156}
   (( segid "    " and resid 77   and name HA  ))
   (( segid "    " and resid 80   and name HG2 ))
      6.000     4.500     0.000 peak  2156 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.758 ppm2      2.273 CV     1
 ASSI { 2157}
   (( segid "    " and resid 116  and name HA  ))
   (( segid "    " and resid 116  and name HB1 ))
      6.000     4.500     0.000 peak  2157 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.196 ppm2      3.057 CV     1
 ASSI { 2159}
   (( segid "    " and resid 118  and name HA  ))
   (( segid "    " and resid 121  and name HG2 ))
      6.000     4.500     0.000 peak  2159 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.871 ppm2      0.748 CV     1
 ASSI { 2160}
   (( segid "    " and resid 118  and name HA  ))
   (( segid "    " and resid 121  and name HB1 ))
      6.000     4.500     0.000 peak  2160 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.869 ppm2     -0.656 CV     1
 ASSI { 2162}
   (( segid "    " and resid 118  and name HA  ))
   (( segid "    " and resid 118  and name HG2 ))
      6.000     4.500     0.000 peak  2162 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.859 ppm2      3.305 CV     1
 OR { 2162}
   (( segid "    " and resid 118  and name HA  ))
   (( segid "    " and resid 118  and name HG1 ))
 ASSI { 2163}
   (( segid "    " and resid 129  and name HA  ))
   (( segid "    " and resid 129  and name HB2 ))
      6.000     4.500     0.000 peak  2163 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.863 ppm2      3.178 CV     1
 ASSI { 2164}
   (( segid "    " and resid 129  and name HA  ))
   (( segid "    " and resid 129  and name HB1 ))
      6.000     4.500     0.000 peak  2164 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.861 ppm2      2.896 CV     1
 ASSI { 2166}
   (( segid "    " and resid 118  and name HA  ))
   (( segid "    " and resid 124  and name HB2 ))
      6.000     4.500     0.000 peak  2166 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.860 ppm2      2.186 CV     1
 OR { 2166}
   (( segid "    " and resid 118  and name HA  ))
   (( segid "    " and resid 124  and name HB1 ))
 ASSI { 2167}
   (( segid "    " and resid 118  and name HA  ))
   (( segid "    " and resid 118  and name HB2 ))
      6.000     4.500     0.000 peak  2167 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.865 ppm2      1.958 CV     1
 OR { 2167}
   (( segid "    " and resid 118  and name HA  ))
   (( segid "    " and resid 118  and name HB1 ))
 ASSI { 2168}
   (( segid "    " and resid 129  and name HA  ))
   (( segid "    " and resid 133  and name HB1 ))
      6.000     4.500     0.000 peak  2168 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.864 ppm2      1.509 CV     1
 ASSI { 2170}
   (( segid "    " and resid 129  and name HA  ))
   (( segid "    " and resid 143  and name HG  ))
      6.000     4.500     0.000 peak  2170 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.860 ppm2      0.973 CV     1
 ASSI { 2172}
   (( segid "    " and resid 38   and name HA  ))
   (( segid "    " and resid 38   and name HB2 ))
      6.000     4.500     0.000 peak  2172 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.283 ppm2      3.530 CV     1
 ASSI { 2177}
   (( segid "    " and resid 37   and name HA  ))
   (( segid "    " and resid 130  and name HB1 ))
      6.000     4.500     0.000 peak  2177 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.273 ppm2      2.644 CV     1
 ASSI { 2186}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 75   and name HD2 ))
      6.000     4.500     0.000 peak  2186 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.146 ppm2      3.355 CV     1
 ASSI { 2188}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 75   and name HB1 ))
      6.000     4.500     0.000 peak  2188 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.143 ppm2      1.922 CV     1
 ASSI { 2189}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 78   and name HB2 ))
      6.000     4.500     0.000 peak  2189 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.146 ppm2      1.772 CV     1
 ASSI { 2190}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 75   and name HG2 ))
      6.000     4.500     0.000 peak  2190 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.143 ppm2      1.584 CV     1
 ASSI { 2191}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 75   and name HD1 ))
      6.000     4.500     0.000 peak  2191 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.132 ppm2      3.178 CV     1
 ASSI { 2192}
   (( segid "    " and resid 109  and name HA  ))
   (( segid "    " and resid 109  and name HG2 ))
      6.000     4.500     0.000 peak  2192 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.042 ppm2      2.308 CV     1
 ASSI { 2193}
   (( segid "    " and resid 109  and name HA  ))
   (( segid "    " and resid 109  and name HB1 ))
      6.000     4.500     0.000 peak  2193 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.039 ppm2      2.038 CV     1
 OR { 2193}
   (( segid "    " and resid 109  and name HA  ))
   (( segid "    " and resid 109  and name HB2 ))
 ASSI { 2197}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 23   and name HG1 ))
      6.000     4.500     0.000 peak  2197 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.010 ppm2      1.564 CV     1
 ASSI { 2199}
   (( segid "    " and resid 119  and name HA  ))
   (( segid "    " and resid 124  and name HB2 ))
      6.000     4.500     0.000 peak  2199 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.800 ppm2      2.154 CV     1
 OR { 2199}
   (( segid "    " and resid 119  and name HA  ))
   (( segid "    " and resid 124  and name HB1 ))
 ASSI { 2202}
   (( segid "    " and resid 67   and name HA  ))
   (( segid "    " and resid 67   and name HG1 ))
      6.000     4.500     0.000 peak  2202 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.660 ppm2      2.156 CV     1
 ASSI { 2203}
   (( segid "    " and resid 67   and name HA  ))
   (( segid "    " and resid 67   and name HB1 ))
      6.000     4.500     0.000 peak  2203 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.662 ppm2      1.868 CV     1
 OR { 2203}
   (( segid "    " and resid 67   and name HA  ))
   (( segid "    " and resid 67   and name HB2 ))
 ASSI { 2205}
   (( segid "    " and resid 67   and name HA  ))
   (  segid "    " and resid 70   and name HD1%)
      6.000     4.500     0.000 peak  2205 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.661 ppm2      0.746 CV     1
 ASSI { 2207}
   (( segid "    " and resid 67   and name HA  ))
   (  segid "    " and resid 111  and name HD1%)
      6.000     4.500     0.000 peak  2207 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.662 ppm2      0.355 CV     1
 ASSI { 2208}
   (( segid "    " and resid 67   and name HA  ))
   (( segid "    " and resid 66   and name HA  ))
      6.000     4.500     0.000 peak  2208 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.655 ppm2      3.387 CV     1
 ASSI { 2209}
   (( segid "    " and resid 67   and name HA  ))
   (( segid "    " and resid 70   and name HB1 ))
      6.000     4.500     0.000 peak  2209 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.657 ppm2      1.015 CV     1
 ASSI { 2210}
   (( segid "    " and resid 144  and name HA  ))
   (( segid "    " and resid 144  and name HB2 ))
      6.000     4.500     0.000 peak  2210 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.529 ppm2      1.806 CV     1
 ASSI { 2211}
   (( segid "    " and resid 144  and name HA  ))
   (( segid "    " and resid 147  and name HB1 ))
      6.000     4.500     0.000 peak  2211 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.528 ppm2      1.082 CV     1
 ASSI { 2214}
   (( segid "    " and resid 144  and name HA  ))
   (( segid "    " and resid 144  and name HD2 ))
      6.000     4.500     0.000 peak  2214 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.525 ppm2      3.386 CV     1
 ASSI { 2215}
   (( segid "    " and resid 144  and name HA  ))
   (( segid "    " and resid 144  and name HD1 ))
      6.000     4.500     0.000 peak  2215 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.525 ppm2      3.269 CV     1
 ASSI { 2216}
   (( segid "    " and resid 144  and name HA  ))
   (( segid "    " and resid 144  and name HB1 ))
      6.000     4.500     0.000 peak  2216 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.527 ppm2      2.128 CV     1
 ASSI { 2217}
   (( segid "    " and resid 144  and name HA  ))
   (( segid "    " and resid 133  and name HB2 ))
      6.000     4.500     0.000 peak  2217 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.526 ppm2      1.610 CV     1
 ASSI { 2218}
   (( segid "    " and resid 144  and name HA  ))
   (( segid "    " and resid 147  and name HB2 ))
      6.000     4.500     0.000 peak  2218 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.522 ppm2      0.666 CV     1
 ASSI { 2220}
   (( segid "    " and resid 144  and name HA  ))
   (  segid "    " and resid 147  and name HD1%)
      6.000     6.000     0.000 peak  2220 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.524 ppm2     -0.573 CV     1
 ASSI { 2222}
   (( segid "    " and resid 113  and name HA  ))
   (  segid "    " and resid 113  and name HG2%)
      6.000     4.500     0.000 peak  2222 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.329 ppm2      1.171 CV     1
 ASSI { 2223}
   (( segid "    " and resid 113  and name HA  ))
   (  segid "    " and resid 113  and name HG1%)
      6.000     4.500     0.000 peak  2223 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.326 ppm2      0.878 CV     1
 ASSI { 2227}
   (( segid "    " and resid 37   and name HA  ))
   (  segid "    " and resid 131  and name HG2%)
      6.000     4.500     0.000 peak  2227 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.270 ppm2      0.853 CV     1
 ASSI { 2230}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 19   and name HB2 ))
      6.000     4.500     0.000 peak  2230 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.108 ppm2      2.858 CV     1
 ASSI { 2231}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 19   and name HB1 ))
      6.000     4.500     0.000 peak  2231 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.103 ppm2      2.694 CV     1
 ASSI { 2232}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 16   and name HG1 ))
      6.000     4.500     0.000 peak  2232 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.106 ppm2      2.337 CV     1
 ASSI { 2233}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 16   and name HB2 ))
      6.000     4.500     0.000 peak  2233 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.106 ppm2      2.172 CV     1
 ASSI { 2234}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 23   and name HD1 ))
      6.000     4.500     0.000 peak  2234 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.007 ppm2      1.702 CV     1
 ASSI { 2235}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 23   and name HD2 ))
      6.000     4.500     0.000 peak  2235 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.008 ppm2      1.450 CV     1
 OR { 2235}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 23   and name HG2 ))
 ASSI { 2240}
   (( segid "    " and resid 119  and name HA  ))
   (( segid "    " and resid 119  and name HB2 ))
      6.000     4.500     0.000 peak  2240 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.801 ppm2      1.675 CV     1
 ASSI { 2241}
   (( segid "    " and resid 119  and name HA  ))
   (( segid "    " and resid 119  and name HB1 ))
      6.000     4.500     0.000 peak  2241 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.802 ppm2      1.495 CV     1
 ASSI { 2244}
   (( segid "    " and resid 119  and name HA  ))
   (( segid "    " and resid 125  and name HG  ))
      6.000     4.500     0.000 peak  2244 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.802 ppm2      0.328 CV     1
 ASSI { 2245}
   (( segid "    " and resid 119  and name HA  ))
   (( segid "    " and resid 119  and name HG2 ))
      6.000     4.500     0.000 peak  2245 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.796 ppm2      1.298 CV     1
 ASSI { 2246}
   (( segid "    " and resid 119  and name HA  ))
   (  segid "    " and resid 146  and name HG2%)
      6.000     4.500     0.000 peak  2246 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.797 ppm2      0.752 CV     1
 ASSI { 2248}
   (( segid "    " and resid 137  and name HA  ))
   (( segid "    " and resid 138  and name HG2 ))
      6.000     4.500     0.000 peak  2248 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.314 ppm2      1.973 CV     1
 OR { 2248}
   (( segid "    " and resid 137  and name HA  ))
   (( segid "    " and resid 138  and name HG1 ))
 ASSI { 2249}
   (( segid "    " and resid 137  and name HA  ))
   (  segid "    " and resid 136  and name HG2%)
      6.000     4.500     0.000 peak  2249 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.317 ppm2      1.053 CV     1
 OR { 2249}
   (( segid "    " and resid 137  and name HA  ))
   (  segid "    " and resid 136  and name HG1%)
 ASSI { 2252}
   (( segid "    " and resid 143  and name HA  ))
   (  segid "    " and resid 146  and name HG2%)
      6.000     4.500     0.000 peak  2252 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.101 ppm2      0.751 CV     1
 ASSI { 2253}
   (( segid "    " and resid 143  and name HA  ))
   (( segid "    " and resid 146  and name HB  ))
      6.000     4.500     0.000 peak  2253 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.093 ppm2      1.790 CV     1
 ASSI { 2255}
   (( segid "    " and resid 143  and name HA  ))
   (( segid "    " and resid 143  and name HB2 ))
      6.000     4.500     0.000 peak  2255 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.098 ppm2      1.345 CV     1
 ASSI { 2256}
   (( segid "    " and resid 143  and name HA  ))
   (( segid "    " and resid 143  and name HG  ))
      6.000     4.500     0.000 peak  2256 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.096 ppm2      0.960 CV     1
 ASSI { 2262}
   (( segid "    " and resid 130  and name HA  ))
   (( segid "    " and resid 130  and name HB2 ))
      6.000     4.500     0.000 peak  2262 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.893 ppm2      2.295 CV     1
 ASSI { 2263}
   (( segid "    " and resid 130  and name HA  ))
   (( segid "    " and resid 131  and name HG12))
      6.000     4.500     0.000 peak  2263 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.894 ppm2      1.650 CV     1
 OR { 2263}
   (( segid "    " and resid 130  and name HA  ))
   (( segid "    " and resid 131  and name HG11))
 ASSI { 2265}
   (( segid "    " and resid 130  and name HA  ))
   (( segid "    " and resid 133  and name HD2 ))
      6.000     4.500     0.000 peak  2265 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.890 ppm2      3.137 CV     1
 ASSI { 2267}
   (( segid "    " and resid 130  and name HA  ))
   (( segid "    " and resid 133  and name HB1 ))
      6.000     4.500     0.000 peak  2267 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.884 ppm2      1.509 CV     1
 ASSI { 2270}
   (( segid "    " and resid 148  and name HA  ))
   (( segid "    " and resid 151  and name HA  ))
      6.000     4.500     0.000 peak  2270 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.434 ppm2      4.095 CV     1
 ASSI { 2271}
   (( segid "    " and resid 124  and name HA  ))
   (( segid "    " and resid 124  and name HB1 ))
      6.000     4.500     0.000 peak  2271 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.415 ppm2      2.169 CV     1
 OR { 2271}
   (( segid "    " and resid 124  and name HA  ))
   (( segid "    " and resid 124  and name HB2 ))
 ASSI { 2272}
   (( segid "    " and resid 124  and name HA  ))
   (  segid "    " and resid 6    and name HB% )
      6.000     4.500     0.000 peak  2272 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.407 ppm2      1.783 CV     1
 ASSI { 2273}
   (( segid "    " and resid 124  and name HA  ))
   (( segid "    " and resid 127  and name HB1 ))
      6.000     4.500     0.000 peak  2273 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.397 ppm2      1.943 CV     1
 ASSI { 2274}
   (( segid "    " and resid 137  and name HA  ))
   (( segid "    " and resid 138  and name HD2 ))
      6.000     4.500     0.000 peak  2274 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.314 ppm2      4.028 CV     1
 OR { 2274}
   (( segid "    " and resid 137  and name HA  ))
   (( segid "    " and resid 138  and name HD1 ))
 ASSI { 2275}
   (( segid "    " and resid 137  and name HA  ))
   (( segid "    " and resid 137  and name HB1 ))
      6.000     4.500     0.000 peak  2275 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.312 ppm2      3.252 CV     1
 ASSI { 2277}
   (( segid "    " and resid 137  and name HA  ))
   (( segid "    " and resid 137  and name HB2 ))
      6.000     4.500     0.000 peak  2277 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.308 ppm2      3.376 CV     1
 ASSI { 2280}
   (( segid "    " and resid 69   and name HA  ))
   (  segid "    " and resid 69   and name HD1%)
      6.000     4.500     0.000 peak  2280 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.194 ppm2      0.964 CV     1
 ASSI { 2281}
   (( segid "    " and resid 69   and name HA  ))
   (  segid "    " and resid 64   and name HD1%)
      6.000     4.500     0.000 peak  2281 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.200 ppm2      0.712 CV     1
 OR { 2281}
   (( segid "    " and resid 69   and name HA  ))
   (  segid "    " and resid 64   and name HD2%)
 ASSI { 2282}
   (( segid "    " and resid 69   and name HA  ))
   (( segid "    " and resid 69   and name HB2 ))
      6.000     4.500     0.000 peak  2282 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.190 ppm2      1.324 CV     1
 ASSI { 2283}
   (( segid "    " and resid 145  and name HA  ))
   (( segid "    " and resid 145  and name HG2 ))
      6.000     4.500     0.000 peak  2283 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.242 ppm2      2.484 CV     1
 OR { 2283}
   (( segid "    " and resid 145  and name HA  ))
   (( segid "    " and resid 145  and name HG1 ))
 ASSI { 2285}
   (( segid "    " and resid 79   and name HA  ))
   (( segid "    " and resid 76   and name HA  ))
      6.000     4.500     0.000 peak  2285 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.193 ppm2      3.606 CV     1
 ASSI { 2286}
   (( segid "    " and resid 79   and name HA  ))
   (( segid "    " and resid 79   and name HG2 ))
      6.000     4.500     0.000 peak  2286 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.197 ppm2      2.664 CV     1
 ASSI { 2287}
   (( segid "    " and resid 79   and name HA  ))
   (( segid "    " and resid 79   and name HG1 ))
      6.000     4.500     0.000 peak  2287 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.196 ppm2      2.581 CV     1
 ASSI { 2288}
   (( segid "    " and resid 79   and name HA  ))
   (( segid "    " and resid 79   and name HB1 ))
      6.000     4.500     0.000 peak  2288 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.200 ppm2      2.282 CV     1
 ASSI { 2289}
   (( segid "    " and resid 78   and name HA  ))
   (( segid "    " and resid 78   and name HB1 ))
      6.000     4.500     0.000 peak  2289 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.186 ppm2      1.954 CV     1
 ASSI { 2294}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 22   and name HG  ))
      6.000     4.500     0.000 peak  2294 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.974 ppm2      1.933 CV     1
 ASSI { 2295}
   (( segid "    " and resid 22   and name HA  ))
   (  segid "    " and resid 22   and name HD1%)
      6.000     4.500     0.000 peak  2295 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.972 ppm2      1.161 CV     1
 ASSI { 2296}
   (( segid "    " and resid 22   and name HA  ))
   (  segid "    " and resid 58   and name HG2%)
      6.000     4.500     0.000 peak  2296 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.978 ppm2      0.999 CV     1
 OR { 2296}
   (( segid "    " and resid 22   and name HA  ))
   (  segid "    " and resid 58   and name HG1%)
 ASSI { 2298}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 15   and name HB1 ))
      6.000     4.500     0.000 peak  2298 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.424 ppm2      1.272 CV     1
 ASSI { 2300}
   (( segid "    " and resid 123  and name HA  ))
   (( segid "    " and resid 123  and name HB1 ))
      6.000     4.500     0.000 peak  2300 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.362 ppm2      3.349 CV     1
 ASSI { 2301}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 71   and name HB2 ))
      6.000     4.500     0.000 peak  2301 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.352 ppm2      3.095 CV     1
 ASSI { 2303}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 68   and name HG1 ))
      6.000     4.500     0.000 peak  2303 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.350 ppm2      2.407 CV     1
 OR { 2303}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 68   and name HG2 ))
 ASSI { 2306}
   (( segid "    " and resid 123  and name HA  ))
   (( segid "    " and resid 155  and name HG  ))
      6.000     4.500     0.000 peak  2306 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.355 ppm2      0.776 CV     1
 ASSI { 2307}
   (( segid "    " and resid 123  and name HA  ))
   (  segid "    " and resid 155  and name HD1%)
      6.000     4.500     0.000 peak  2307 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.359 ppm2      0.504 CV     1
 OR { 2307}
   (( segid "    " and resid 123  and name HA  ))
   (  segid "    " and resid 155  and name HD2%)
 ASSI { 2308}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 71   and name HB1 ))
      6.000     4.500     0.000 peak  2308 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.347 ppm2      2.627 CV     1
 ASSI { 2309}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 10   and name HB1 ))
      6.000     4.500     0.000 peak  2309 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.346 ppm2      0.632 CV     1
 ASSI { 2318}
   (( segid "    " and resid 15   and name HA  ))
   (  segid "    " and resid 18   and name HG1%)
      6.000     4.500     0.000 peak  2318 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.428 ppm2      0.641 CV     1
 ASSI { 2319}
   (( segid "    " and resid 15   and name HA  ))
   (  segid "    " and resid 18   and name HG2%)
      6.000     4.500     0.000 peak  2319 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.425 ppm2      0.235 CV     1
 ASSI { 2320}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 15   and name HB2 ))
      6.000     4.500     0.000 peak  2320 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.420 ppm2      1.723 CV     1
 ASSI { 2321}
   (( segid "    " and resid 15   and name HA  ))
   (  segid "    " and resid 54   and name HD2%)
      6.000     4.500     0.000 peak  2321 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.423 ppm2     -0.634 CV     1
 ASSI { 2322}
   (( segid "    " and resid 104  and name HA  ))
   (( segid "    " and resid 104  and name HB1 ))
      6.000     4.500     0.000 peak  2322 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.273 ppm2      2.180 CV     1
 ASSI { 2324}
   (( segid "    " and resid 88   and name HA  ))
   (( segid "    " and resid 88   and name HD1 ))
      6.000     4.500     0.000 peak  2324 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.081 ppm2      2.923 CV     1
 ASSI { 2330}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 17   and name HG2 ))
      6.000     4.500     0.000 peak  2330 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.993 ppm2      2.643 CV     1
 OR { 2330}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 17   and name HG1 ))
 ASSI { 2333}
   (( segid "    " and resid 135  and name HA  ))
   (( segid "    " and resid 135  and name HG  ))
      6.000     4.500     0.000 peak  2333 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.854 ppm2      1.250 CV     1
 ASSI { 2334}
   (( segid "    " and resid 135  and name HA  ))
   (( segid "    " and resid 135  and name HB1 ))
      6.000     4.500     0.000 peak  2334 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.848 ppm2      1.734 CV     1
 ASSI { 2335}
   (( segid "    " and resid 135  and name HA  ))
   (  segid "    " and resid 135  and name HD1%)
      6.000     4.500     0.000 peak  2335 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.848 ppm2      0.116 CV     1
 ASSI { 2337}
   (( segid "    " and resid 125  and name HA  ))
   (  segid "    " and resid 128  and name HD1%)
      6.000     4.500     0.000 peak  2337 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.821 ppm2      0.598 CV     1
 OR { 2337}
   (( segid "    " and resid 125  and name HA  ))
   (  segid "    " and resid 128  and name HD2%)
 ASSI { 2338}
   (( segid "    " and resid 125  and name HA  ))
   (  segid "    " and resid 125  and name HD2%)
      6.000     4.500     0.000 peak  2338 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.818 ppm2      0.480 CV     1
 ASSI { 2339}
   (( segid "    " and resid 125  and name HA  ))
   (  segid "    " and resid 147  and name HD1%)
      6.000     4.500     0.000 peak  2339 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.820 ppm2     -0.571 CV     1
 ASSI { 2340}
   (( segid "    " and resid 125  and name HA  ))
   (  segid "    " and resid 147  and name HD2%)
      6.000     4.500     0.000 peak  2340 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.812 ppm2     -0.458 CV     1
 ASSI { 2343}
   (( segid "    " and resid 147  and name HA  ))
   (( segid "    " and resid 147  and name HB1 ))
      6.000     4.500     0.000 peak  2343 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.671 ppm2      1.095 CV     1
 ASSI { 2344}
   (( segid "    " and resid 147  and name HA  ))
   (( segid "    " and resid 147  and name HB2 ))
      6.000     4.500     0.000 peak  2344 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.673 ppm2      0.662 CV     1
 ASSI { 2345}
   (( segid "    " and resid 147  and name HA  ))
   (( segid "    " and resid 125  and name HG  ))
      6.000     4.500     0.000 peak  2345 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.672 ppm2      0.334 CV     1
 ASSI { 2346}
   (( segid "    " and resid 147  and name HA  ))
   (( segid "    " and resid 147  and name HG  ))
      6.000     4.500     0.000 peak  2346 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.667 ppm2      0.883 CV     1
 ASSI { 2347}
   (( segid "    " and resid 147  and name HA  ))
   (  segid "    " and resid 125  and name HD1%)
      6.000     4.500     0.000 peak  2347 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.669 ppm2      0.494 CV     1
 OR { 2347}
   (( segid "    " and resid 147  and name HA  ))
   (  segid "    " and resid 125  and name HD2%)
 ASSI { 2348}
   (( segid "    " and resid 147  and name HA  ))
   (  segid "    " and resid 147  and name HD1%)
      6.000     4.500     0.000 peak  2348 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.668 ppm2     -0.572 CV     1
 ASSI { 2350}
   (( segid "    " and resid 141  and name HA  ))
   (( segid "    " and resid 142  and name HG1 ))
      6.000     4.500     0.000 peak  2350 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.296 ppm2      2.829 CV     1
 ASSI { 2352}
   (( segid "    " and resid 141  and name HA  ))
   (( segid "    " and resid 141  and name HB1 ))
      6.000     4.500     0.000 peak  2352 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.286 ppm2      1.812 CV     1
 ASSI { 2353}
   (( segid "    " and resid 104  and name HA  ))
   (( segid "    " and resid 104  and name HG1 ))
      6.000     4.500     0.000 peak  2353 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.270 ppm2      2.545 CV     1
 ASSI { 2354}
   (( segid "    " and resid 104  and name HA  ))
   (  segid "    " and resid 105  and name HG2%)
      6.000     4.500     0.000 peak  2354 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.278 ppm2      1.025 CV     1
 OR { 2354}
   (( segid "    " and resid 104  and name HA  ))
   (  segid "    " and resid 105  and name HG1%)
 ASSI { 2356}
   (( segid "    " and resid 104  and name HA  ))
   (  segid "    " and resid 106  and name HD1%)
      6.000     4.500     0.000 peak  2356 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.264 ppm2      0.644 CV     1
 ASSI { 2358}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 14   and name HG2 ))
      6.000     4.500     0.000 peak  2358 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.088 ppm2      2.175 CV     1
 ASSI { 2360}
   (( segid "    " and resid 128  and name HA  ))
   (( segid "    " and resid 133  and name HB1 ))
      6.000     4.500     0.000 peak  2360 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.854 ppm2      1.510 CV     1
 ASSI { 2361}
   (( segid "    " and resid 128  and name HA  ))
   (  segid "    " and resid 128  and name HD2%)
      6.000     4.500     0.000 peak  2361 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.858 ppm2      0.598 CV     1
 OR { 2361}
   (( segid "    " and resid 128  and name HA  ))
   (  segid "    " and resid 128  and name HD1%)
 ASSI { 2362}
   (( segid "    " and resid 125  and name HA  ))
   (( segid "    " and resid 128  and name HB2 ))
      6.000     4.500     0.000 peak  2362 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.836 ppm2      2.047 CV     1
 ASSI { 2363}
   (( segid "    " and resid 19   and name HA  ))
   (( segid "    " and resid 22   and name HB1 ))
      6.000     4.500     0.000 peak  2363 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.602 ppm2      2.055 CV     1
 ASSI { 2364}
   (( segid "    " and resid 19   and name HA  ))
   (( segid "    " and resid 19   and name HB2 ))
      6.000     4.500     0.000 peak  2364 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.591 ppm2      2.867 CV     1
 ASSI { 2367}
   (( segid "    " and resid 110  and name HA  ))
   (( segid "    " and resid 110  and name HB1 ))
      6.000     4.500     0.000 peak  2367 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.239 ppm2      1.394 CV     1
 ASSI { 2371}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 14   and name HD2 ))
      6.000     4.500     0.000 peak  2371 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.083 ppm2      3.740 CV     1
 ASSI { 2372}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 14   and name HD1 ))
      6.000     4.500     0.000 peak  2372 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.081 ppm2      3.605 CV     1
 ASSI { 2374}
   (( segid "    " and resid 30   and name HA  ))
   (( segid "    " and resid 30   and name HB2 ))
      6.000     4.500     0.000 peak  2374 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.926 ppm2      2.411 CV     1
 ASSI { 2375}
   (( segid "    " and resid 30   and name HA  ))
   (( segid "    " and resid 30   and name HG1 ))
      6.000     4.500     0.000 peak  2375 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.925 ppm2      2.124 CV     1
 ASSI { 2376}
   (( segid "    " and resid 128  and name HA  ))
   (( segid "    " and resid 128  and name HG  ))
      6.000     4.500     0.000 peak  2376 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.855 ppm2      0.305 CV     1
 ASSI { 2377}
   (( segid "    " and resid 19   and name HA  ))
   (( segid "    " and resid 19   and name HB1 ))
      6.000     4.500     0.000 peak  2377 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.595 ppm2      2.682 CV     1
 ASSI { 2378}
   (( segid "    " and resid 19   and name HA  ))
   (  segid "    " and resid 22   and name HD1%)
      6.000     4.500     0.000 peak  2378 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.592 ppm2      1.131 CV     1
 ASSI { 2379}
   (( segid "    " and resid 157  and name HA  ))
   (( segid "    " and resid 157  and name HB2 ))
      6.000     4.500     0.000 peak  2379 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.507 ppm2      1.991 CV     1
 ASSI { 2380}
   (( segid "    " and resid 157  and name HA  ))
   (( segid "    " and resid 157  and name HB1 ))
      6.000     4.500     0.000 peak  2380 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.497 ppm2      1.836 CV     1
 ASSI { 2381}
   (( segid "    " and resid 157  and name HA  ))
   (( segid "    " and resid 157  and name HG1 ))
      6.000     4.500     0.000 peak  2381 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.502 ppm2      1.286 CV     1
 ASSI { 2383}
   (( segid "    " and resid 87   and name HA  ))
   (( segid "    " and resid 92   and name HB1 ))
      6.000     4.500     0.000 peak  2383 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.212 ppm2      1.601 CV     1
 ASSI { 2384}
   (( segid "    " and resid 87   and name HA  ))
   (( segid "    " and resid 90   and name HA1 ))
      6.000     4.500     0.000 peak  2384 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.196 ppm2      3.925 CV     1
 ASSI { 2385}
   (( segid "    " and resid 87   and name HA  ))
   (( segid "    " and resid 87   and name HG1 ))
      6.000     4.500     0.000 peak  2385 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.192 ppm2      2.332 CV     1
 OR { 2385}
   (( segid "    " and resid 87   and name HA  ))
   (( segid "    " and resid 87   and name HG2 ))
 ASSI { 2386}
   (( segid "    " and resid 87   and name HA  ))
   (( segid "    " and resid 92   and name HG2 ))
      6.000     4.500     0.000 peak  2386 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.200 ppm2      1.426 CV     1
 ASSI { 2387}
   (( segid "    " and resid 154  and name HA  ))
   (( segid "    " and resid 154  and name HB1 ))
      6.000     4.500     0.000 peak  2387 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.974 ppm2      1.416 CV     1
 OR { 2387}
   (( segid "    " and resid 154  and name HA  ))
   (( segid "    " and resid 154  and name HB2 ))
 ASSI { 2388}
   (( segid "    " and resid 154  and name HA  ))
   (( segid "    " and resid 154  and name HG1 ))
      6.000     4.500     0.000 peak  2388 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.975 ppm2      1.193 CV     1
 ASSI { 2389}
   (( segid "    " and resid 154  and name HA  ))
   (( segid "    " and resid 154  and name HG2 ))
      6.000     4.500     0.000 peak  2389 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.974 ppm2      0.748 CV     1
 ASSI { 2390}
   (( segid "    " and resid 154  and name HA  ))
   (  segid "    " and resid 155  and name HD2%)
      6.000     4.500     0.000 peak  2390 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.973 ppm2      0.505 CV     1
 OR { 2390}
   (( segid "    " and resid 154  and name HA  ))
   (  segid "    " and resid 155  and name HD1%)
 ASSI { 2391}
   (( segid "    " and resid 70   and name HA  ))
   (  segid "    " and resid 70   and name HD1%)
      6.000     4.500     0.000 peak  2391 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.602 ppm2      0.744 CV     1
 ASSI { 2393}
   (( segid "    " and resid 87   and name HA  ))
   (  segid "    " and resid 86   and name HB% )
      6.000     4.500     0.000 peak  2393 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.196 ppm2      1.477 CV     1
 ASSI { 2395}
   (( segid "    " and resid 34   and name HA  ))
   (( segid "    " and resid 34   and name HB2 ))
      6.000     4.500     0.000 peak  2395 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.524 ppm2      1.673 CV     1
 ASSI { 2396}
   (( segid "    " and resid 34   and name HA  ))
   (( segid "    " and resid 34   and name HB1 ))
      6.000     4.500     0.000 peak  2396 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.521 ppm2      1.555 CV     1
 ASSI { 2400}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 71   and name HB2 ))
      6.000     4.500     0.000 peak  2400 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.326 ppm2      3.099 CV     1
 ASSI { 2401}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 74   and name HG1 ))
      6.000     4.500     0.000 peak  2401 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.327 ppm2      2.955 CV     1
 ASSI { 2404}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 71   and name HB1 ))
      6.000     4.500     0.000 peak  2404 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.319 ppm2      2.614 CV     1
 ASSI { 2405}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 48   and name HB2 ))
      6.000     4.500     0.000 peak  2405 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.316 ppm2      2.028 CV     1
 ASSI { 2409}
   (( segid "    " and resid 80   and name HA  ))
   (( segid "    " and resid 80   and name HB1 ))
      6.000     4.500     0.000 peak  2409 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.536 ppm2      2.882 CV     1
 ASSI { 2410}
   (( segid "    " and resid 80   and name HA  ))
   (( segid "    " and resid 80   and name HG1 ))
      6.000     4.500     0.000 peak  2410 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.543 ppm2      2.491 CV     1
 ASSI { 2411}
   (( segid "    " and resid 80   and name HA  ))
   (( segid "    " and resid 80   and name HG2 ))
      6.000     4.500     0.000 peak  2411 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.541 ppm2      2.257 CV     1
 ASSI { 2412}
   (( segid "    " and resid 80   and name HA  ))
   (( segid "    " and resid 80   and name HB2 ))
      6.000     4.500     0.000 peak  2412 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.540 ppm2      1.784 CV     1
 ASSI { 2413}
   (( segid "    " and resid 85   and name HA  ))
   (( segid "    " and resid 85   and name HB2 ))
      6.000     4.500     0.000 peak  2413 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.436 ppm2      1.759 CV     1
 ASSI { 2414}
   (( segid "    " and resid 85   and name HA  ))
   (( segid "    " and resid 85   and name HG2 ))
      6.000     4.500     0.000 peak  2414 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.434 ppm2      1.420 CV     1
 OR { 2414}
   (( segid "    " and resid 85   and name HA  ))
   (( segid "    " and resid 85   and name HG1 ))
 ASSI { 2415}
   (( segid "    " and resid 82   and name HA  ))
   (( segid "    " and resid 82   and name HD2 ))
      6.000     4.500     0.000 peak  2415 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.393 ppm2      3.525 CV     1
 ASSI { 2416}
   (( segid "    " and resid 82   and name HA  ))
   (( segid "    " and resid 82   and name HD1 ))
      6.000     4.500     0.000 peak  2416 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.397 ppm2      3.351 CV     1
 ASSI { 2417}
   (( segid "    " and resid 82   and name HA  ))
   (( segid "    " and resid 82   and name HB2 ))
      6.000     4.500     0.000 peak  2417 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.394 ppm2      1.605 CV     1
 OR { 2417}
   (( segid "    " and resid 82   and name HA  ))
   (( segid "    " and resid 82   and name HB1 ))
 ASSI { 2418}
   (( segid "    " and resid 82   and name HA  ))
   (  segid "    " and resid 83   and name HG2%)
      6.000     4.500     0.000 peak  2418 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.391 ppm2      0.990 CV     1
 OR { 2418}
   (( segid "    " and resid 82   and name HA  ))
   (  segid "    " and resid 83   and name HG1%)
 ASSI { 2419}
   (( segid "    " and resid 82   and name HA  ))
   (( segid "    " and resid 83   and name HB  ))
      6.000     4.500     0.000 peak  2419 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.384 ppm2      2.097 CV     1
 ASSI { 2420}
   (( segid "    " and resid 85   and name HA  ))
   (( segid "    " and resid 85   and name HB1 ))
      6.000     4.500     0.000 peak  2420 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.441 ppm2      1.988 CV     1
 ASSI { 2421}
   (( segid "    " and resid 150  and name HA  ))
   (( segid "    " and resid 150  and name HD1 ))
      6.000     4.500     0.000 peak  2421 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.025 ppm2      3.119 CV     1
 ASSI { 2422}
   (( segid "    " and resid 150  and name HA  ))
   (( segid "    " and resid 150  and name HD2 ))
      6.000     4.500     0.000 peak  2422 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.025 ppm2      2.965 CV     1
 ASSI { 2423}
   (( segid "    " and resid 150  and name HA  ))
   (( segid "    " and resid 150  and name HG2 ))
      6.000     4.500     0.000 peak  2423 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.029 ppm2      1.466 CV     1
 ASSI { 2424}
   (( segid "    " and resid 150  and name HA  ))
   (  segid "    " and resid 151  and name HB% )
      6.000     4.500     0.000 peak  2424 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.027 ppm2      1.248 CV     1
 ASSI { 2429}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 27   and name HB1 ))
      6.000     4.500     0.000 peak  2429 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.211 ppm2      2.577 CV     1
 ASSI { 2431}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 23   and name HB1 ))
      6.000     4.500     0.000 peak  2431 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.163 ppm2      1.964 CV     1
 OR { 2431}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 23   and name HB2 ))
 ASSI { 2432}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 23   and name HD1 ))
      6.000     4.500     0.000 peak  2432 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.163 ppm2      1.706 CV     1
 ASSI { 2433}
   (( segid "    " and resid 20   and name HA  ))
   (  segid "    " and resid 20   and name HB% )
      6.000     4.500     0.000 peak  2433 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.161 ppm2      1.454 CV     1
 ASSI { 2435}
   (( segid "    " and resid 21   and name HA  ))
   (  segid "    " and resid 21   and name HB% )
      6.000     4.500     0.000 peak  2435 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.137 ppm2      1.567 CV     1
 ASSI { 2436}
   (( segid "    " and resid 21   and name HA  ))
   (  segid "    " and resid 96   and name HD1%)
      6.000     4.500     0.000 peak  2436 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.134 ppm2      1.164 CV     1
 OR { 2436}
   (( segid "    " and resid 21   and name HA  ))
   (  segid "    " and resid 96   and name HD2%)
 ASSI { 2437}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 96   and name HB1 ))
      6.000     4.500     0.000 peak  2437 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.136 ppm2      0.972 CV     1
 ASSI { 2438}
   (( segid "    " and resid 21   and name HA  ))
   (  segid "    " and resid 76   and name HG2%)
      6.000     4.500     0.000 peak  2438 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.134 ppm2      0.831 CV     1
 ASSI { 2440}
   (( segid "    " and resid 153  and name HA  ))
   (( segid "    " and resid 153  and name HB1 ))
      6.000     4.500     0.000 peak  2440 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.575 ppm2      2.761 CV     1
 ASSI { 2441}
   (( segid "    " and resid 153  and name HA  ))
   (( segid "    " and resid 153  and name HB2 ))
      6.000     4.500     0.000 peak  2441 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.576 ppm2      2.591 CV     1
 ASSI { 2442}
   (( segid "    " and resid 153  and name HA  ))
   (( segid "    " and resid 154  and name HB2 ))
      6.000     4.500     0.000 peak  2442 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.575 ppm2      1.399 CV     1
 OR { 2442}
   (( segid "    " and resid 153  and name HA  ))
   (( segid "    " and resid 154  and name HB1 ))
 ASSI { 2444}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 30   and name HG2 ))
      6.000     4.500     0.000 peak  2444 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.247 ppm2      2.186 CV     1
 ASSI { 2445}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 68   and name HB1 ))
      6.000     4.500     0.000 peak  2445 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.243 ppm2      2.272 CV     1
 OR { 2445}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 68   and name HB2 ))
 ASSI { 2446}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 64   and name HB2 ))
      6.000     4.500     0.000 peak  2446 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.236 ppm2      1.742 CV     1
 ASSI { 2447}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 64   and name HG  ))
      6.000     4.500     0.000 peak  2447 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.236 ppm2      0.763 CV     1
 ASSI { 2448}
   (( segid "    " and resid 134  and name HA  ))
   (( segid "    " and resid 134  and name HB1 ))
      6.000     4.500     0.000 peak  2448 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.553 ppm2      2.298 CV     1
 OR { 2448}
   (( segid "    " and resid 134  and name HA  ))
   (( segid "    " and resid 134  and name HG2 ))
 ASSI { 2449}
   (( segid "    " and resid 134  and name HA  ))
   (( segid "    " and resid 134  and name HG1 ))
      6.000     4.500     0.000 peak  2449 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.553 ppm2      2.135 CV     1
 ASSI { 2450}
   (( segid "    " and resid 134  and name HA  ))
   (( segid "    " and resid 134  and name HB2 ))
      6.000     4.500     0.000 peak  2450 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.555 ppm2      1.768 CV     1
 ASSI { 2451}
   (( segid "    " and resid 139  and name HA  ))
   (( segid "    " and resid 139  and name HB2 ))
      6.000     4.500     0.000 peak  2451 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.514 ppm2      3.044 CV     1
 ASSI { 2452}
   (( segid "    " and resid 139  and name HA  ))
   (( segid "    " and resid 139  and name HB1 ))
      6.000     4.500     0.000 peak  2452 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.517 ppm2      2.603 CV     1
 ASSI { 2454}
   (( segid "    " and resid 121  and name HA  ))
   (( segid "    " and resid 121  and name HG2 ))
      6.000     4.500     0.000 peak  2454 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.134 ppm2      0.705 CV     1
 ASSI { 2456}
   (( segid "    " and resid 111  and name HA  ))
   (( segid "    " and resid 111  and name HB1 ))
      6.000     4.500     0.000 peak  2456 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.910 ppm2      0.914 CV     1
 ASSI { 2457}
   (( segid "    " and resid 111  and name HA  ))
   (  segid "    " and resid 70   and name HD2%)
      6.000     4.500     0.000 peak  2457 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.913 ppm2      0.507 CV     1
 ASSI { 2458}
   (( segid "    " and resid 111  and name HA  ))
   (  segid "    " and resid 111  and name HD2%)
      6.000     4.500     0.000 peak  2458 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.912 ppm2      0.364 CV     1
 ASSI { 2459}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 11   and name HB2 ))
      6.000     4.500     0.000 peak  2459 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.506 ppm2      0.965 CV     1
 ASSI { 2460}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 11   and name HB1 ))
      6.000     4.500     0.000 peak  2460 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.503 ppm2      1.246 CV     1
 ASSI { 2462}
   (( segid "    " and resid 121  and name HA  ))
   (( segid "    " and resid 121  and name HG1 ))
      6.000     4.500     0.000 peak  2462 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.133 ppm2      1.333 CV     1
 ASSI { 2464}
   (( segid "    " and resid 155  and name HA  ))
   (( segid "    " and resid 155  and name HG  ))
      6.000     4.500     0.000 peak  2464 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.466 ppm2      0.785 CV     1
 ASSI { 2465}
   (( segid "    " and resid 155  and name HA  ))
   (( segid "    " and resid 156  and name HB1 ))
      6.000     4.500     0.000 peak  2465 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.461 ppm2      2.859 CV     1
 OR { 2465}
   (( segid "    " and resid 155  and name HA  ))
   (( segid "    " and resid 156  and name HB2 ))
 ASSI { 2466}
   (( segid "    " and resid 155  and name HA  ))
   (( segid "    " and resid 154  and name HB2 ))
      6.000     4.500     0.000 peak  2466 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.464 ppm2      1.392 CV     1
 OR { 2466}
   (( segid "    " and resid 155  and name HA  ))
   (( segid "    " and resid 154  and name HB1 ))
 ASSI { 2471}
   (( segid "    " and resid 86   and name HA  ))
   (( segid "    " and resid 87   and name HB1 ))
      6.000     4.500     0.000 peak  2471 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.305 ppm2      2.009 CV     1
 OR { 2471}
   (( segid "    " and resid 86   and name HA  ))
   (( segid "    " and resid 87   and name HB2 ))
 ASSI { 2472}
   (( segid "    " and resid 86   and name HA  ))
   (  segid "    " and resid 86   and name HB% )
      6.000     4.500     0.000 peak  2472 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.305 ppm2      1.448 CV     1
 ASSI { 2474}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 93   and name HA  ))
      6.000     4.500     0.000 peak  2474 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.894 ppm2      4.050 CV     1
 ASSI { 2475}
   (( segid "    " and resid 12   and name HA  ))
   (  segid "    " and resid 12   and name HB% )
      6.000     4.500     0.000 peak  2475 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.888 ppm2      1.244 CV     1
 ASSI { 2477}
   (( segid "    " and resid 151  and name HA  ))
   (( segid "    " and resid 150  and name HB2 ))
      6.000     4.500     0.000 peak  2477 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.090 ppm2      0.950 CV     1
 ASSI { 2478}
   (( segid "    " and resid 151  and name HA  ))
   (  segid "    " and resid 151  and name HB% )
      6.000     4.500     0.000 peak  2478 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.081 ppm2      1.208 CV     1
 ASSI { 2480}
   (( segid "    " and resid 114  and name HD1 ))
   (  segid "    " and resid 113  and name HG2%)
      6.000     4.500     0.000 peak  2480 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.184 ppm2      1.180 CV     1
 ASSI { 2481}
   (( segid "    " and resid 114  and name HD1 ))
   (  segid "    " and resid 105  and name HG2%)
      6.000     4.500     0.000 peak  2481 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.181 ppm2      1.037 CV     1
 ASSI { 2482}
   (( segid "    " and resid 114  and name HD1 ))
   (( segid "    " and resid 114  and name HD2 ))
      6.000     4.500     0.000 peak  2482 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.171 ppm2      3.689 CV     1
 ASSI { 2483}
   (( segid "    " and resid 114  and name HD1 ))
   (( segid "    " and resid 114  and name HG1 ))
      6.000     4.500     0.000 peak  2483 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.171 ppm2      2.464 CV     1
 ASSI { 2484}
   (( segid "    " and resid 114  and name HD1 ))
   (( segid "    " and resid 114  and name HG2 ))
      6.000     4.500     0.000 peak  2484 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.172 ppm2      2.006 CV     1
 ASSI { 2485}
   (( segid "    " and resid 114  and name HD1 ))
   (( segid "    " and resid 114  and name HB1 ))
      6.000     4.500     0.000 peak  2485 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.162 ppm2      2.902 CV     1
 ASSI { 2487}
   (( segid "    " and resid 114  and name HD2 ))
   (( segid "    " and resid 114  and name HG1 ))
      6.000     4.500     0.000 peak  2487 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.686 ppm2      2.465 CV     1
 ASSI { 2488}
   (( segid "    " and resid 114  and name HD2 ))
   (  segid "    " and resid 105  and name HG2%)
      6.000     4.500     0.000 peak  2488 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.692 ppm2      1.048 CV     1
 ASSI { 2489}
   (( segid "    " and resid 44   and name HD2 ))
   (( segid "    " and resid 44   and name HD1 ))
      6.000     4.500     0.000 peak  2489 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.117 ppm2      3.844 CV     1
 ASSI { 2490}
   (( segid "    " and resid 44   and name HD2 ))
   (( segid "    " and resid 43   and name HB2 ))
      6.000     4.500     0.000 peak  2490 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.119 ppm2      2.452 CV     1
 ASSI { 2494}
   (( segid "    " and resid 138  and name HD2 ))
   (( segid "    " and resid 137  and name HB2 ))
      6.000     4.500     0.000 peak  2494 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.025 ppm2      3.394 CV     1
 OR { 2494}
   (( segid "    " and resid 138  and name HD1 ))
   (( segid "    " and resid 137  and name HB2 ))
 ASSI { 2495}
   (( segid "    " and resid 138  and name HD2 ))
   (( segid "    " and resid 137  and name HB1 ))
      6.000     4.500     0.000 peak  2495 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.031 ppm2      3.245 CV     1
 OR { 2495}
   (( segid "    " and resid 138  and name HD1 ))
   (( segid "    " and resid 137  and name HB1 ))
 ASSI { 2503}
   (( segid "    " and resid 51   and name HD2 ))
   (( segid "    " and resid 11   and name HG  ))
      6.000     4.500     0.000 peak  2503 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.869 ppm2      0.794 CV     1
 ASSI { 2504}
   (( segid "    " and resid 51   and name HD2 ))
   (( segid "    " and resid 51   and name HD1 ))
      6.000     4.500     0.000 peak  2504 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.862 ppm2      3.419 CV     1
 ASSI { 2506}
   (( segid "    " and resid 51   and name HD2 ))
   (( segid "    " and resid 51   and name HG1 ))
      6.000     4.500     0.000 peak  2506 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.859 ppm2      1.889 CV     1
 ASSI { 2512}
   (( segid "    " and resid 43   and name HD1 ))
   (( segid "    " and resid 43   and name HG1 ))
      6.000     4.500     0.000 peak  2512 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.836 ppm2      2.180 CV     1
 OR { 2512}
   (( segid "    " and resid 43   and name HD2 ))
   (( segid "    " and resid 43   and name HG2 ))
 OR { 2512}
   (( segid "    " and resid 43   and name HD1 ))
   (( segid "    " and resid 43   and name HG2 ))
 OR { 2512}
   (( segid "    " and resid 43   and name HD2 ))
   (( segid "    " and resid 43   and name HG1 ))
 ASSI { 2513}
   (( segid "    " and resid 43   and name HD2 ))
   (  segid "    " and resid 42   and name HG2%)
      6.000     4.500     0.000 peak  2513 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.828 ppm2      1.445 CV     1
 OR { 2513}
   (( segid "    " and resid 43   and name HD1 ))
   (  segid "    " and resid 42   and name HG2%)
 ASSI { 2515}
   (( segid "    " and resid 29   and name HD2 ))
   (( segid "    " and resid 29   and name HG1 ))
      6.000     4.500     0.000 peak  2515 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.672 ppm2      2.038 CV     1
 ASSI { 2516}
   (( segid "    " and resid 29   and name HD2 ))
   (( segid "    " and resid 29   and name HD1 ))
      6.000     4.500     0.000 peak  2516 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.668 ppm2      2.754 CV     1
 ASSI { 2517}
   (( segid "    " and resid 29   and name HD2 ))
   (( segid "    " and resid 28   and name HB  ))
      6.000     4.500     0.000 peak  2517 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.667 ppm2      1.583 CV     1
 ASSI { 2519}
   (( segid "    " and resid 29   and name HD2 ))
   (  segid "    " and resid 28   and name HG2%)
      6.000     4.500     0.000 peak  2519 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.668 ppm2      0.594 CV     1
 ASSI { 2522}
   (( segid "    " and resid 51   and name HD1 ))
   (( segid "    " and resid 10   and name HB2 ))
      6.000     4.500     0.000 peak  2522 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.426 ppm2      2.427 CV     1
 ASSI { 2534}
   (( segid "    " and resid 65   and name HA  ))
   (( segid "    " and resid 66   and name HD2 ))
      6.000     4.500     0.000 peak  2534 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.602 ppm2      3.621 CV     1
 ASSI { 2535}
   (( segid "    " and resid 65   and name HA  ))
   (( segid "    " and resid 66   and name HD1 ))
      6.000     4.500     0.000 peak  2535 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.602 ppm2      3.446 CV     1
 ASSI { 2538}
   (( segid "    " and resid 127  and name HD1 ))
   (( segid "    " and resid 127  and name HD2 ))
      6.000     4.500     0.000 peak  2538 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.402 ppm2      3.225 CV     1
 ASSI { 2539}
   (( segid "    " and resid 127  and name HD1 ))
   (( segid "    " and resid 127  and name HB2 ))
      6.000     4.500     0.000 peak  2539 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.398 ppm2      2.719 CV     1
 ASSI { 2540}
   (( segid "    " and resid 127  and name HD1 ))
   (( segid "    " and resid 127  and name HG1 ))
      6.000     4.500     0.000 peak  2540 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.398 ppm2      1.566 CV     1
 ASSI { 2541}
   (( segid "    " and resid 127  and name HD1 ))
   (( segid "    " and resid 154  and name HB2 ))
      6.000     4.500     0.000 peak  2541 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.398 ppm2      1.402 CV     1
 OR { 2541}
   (( segid "    " and resid 127  and name HD1 ))
   (( segid "    " and resid 154  and name HB1 ))
 ASSI { 2542}
   (( segid "    " and resid 127  and name HD1 ))
   (( segid "    " and resid 126  and name HB1 ))
      6.000     4.500     0.000 peak  2542 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.391 ppm2      2.956 CV     1
 ASSI { 2543}
   (( segid "    " and resid 127  and name HD1 ))
   (( segid "    " and resid 155  and name HG  ))
      6.000     4.500     0.000 peak  2543 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.394 ppm2      0.798 CV     1
 ASSI { 2544}
   (( segid "    " and resid 127  and name HD1 ))
   (  segid "    " and resid 155  and name HD1%)
      6.000     4.500     0.000 peak  2544 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.390 ppm2      0.514 CV     1
 OR { 2544}
   (( segid "    " and resid 127  and name HD1 ))
   (  segid "    " and resid 155  and name HD2%)
 ASSI { 2546}
   (( segid "    " and resid 127  and name HD2 ))
   (( segid "    " and resid 126  and name HB1 ))
      6.000     4.500     0.000 peak  2546 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.229 ppm2      2.960 CV     1
 ASSI { 2547}
   (( segid "    " and resid 127  and name HD2 ))
   (( segid "    " and resid 127  and name HB2 ))
      6.000     4.500     0.000 peak  2547 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.231 ppm2      2.719 CV     1
 ASSI { 2549}
   (( segid "    " and resid 127  and name HD2 ))
   (( segid "    " and resid 127  and name HG2 ))
      6.000     4.500     0.000 peak  2549 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.226 ppm2      2.047 CV     1
 ASSI { 2550}
   (( segid "    " and resid 127  and name HD2 ))
   (( segid "    " and resid 127  and name HG1 ))
      6.000     4.500     0.000 peak  2550 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.225 ppm2      1.564 CV     1
 ASSI { 2551}
   (( segid "    " and resid 127  and name HD2 ))
   (  segid "    " and resid 125  and name HD2%)
      6.000     4.500     0.000 peak  2551 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.227 ppm2      0.508 CV     1
 OR { 2551}
   (( segid "    " and resid 127  and name HD2 ))
   (  segid "    " and resid 125  and name HD1%)
 ASSI { 2553}
   (( segid "    " and resid 65   and name HA  ))
   (  segid "    " and resid 65   and name HB% )
      6.000     4.500     0.000 peak  2553 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.602 ppm2      1.457 CV     1
 ASSI { 2554}
   (( segid "    " and resid 14   and name HD2 ))
   (( segid "    " and resid 14   and name HB2 ))
      6.000     4.500     0.000 peak  2554 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.730 ppm2      1.157 CV     1
 ASSI { 2556}
   (( segid "    " and resid 14   and name HD2 ))
   (( segid "    " and resid 14   and name HG1 ))
      6.000     4.500     0.000 peak  2556 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.731 ppm2      1.450 CV     1
 ASSI { 2557}
   (( segid "    " and resid 14   and name HD1 ))
   (( segid "    " and resid 14   and name HB2 ))
      6.000     4.500     0.000 peak  2557 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.620 ppm2      1.157 CV     1
 ASSI { 2559}
   (( segid "    " and resid 14   and name HD1 ))
   (( segid "    " and resid 14   and name HG2 ))
      6.000     4.500     0.000 peak  2559 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.611 ppm2      2.168 CV     1
 ASSI { 2561}
   (( segid "    " and resid 91   and name HD1 ))
   (( segid "    " and resid 90   and name HA2 ))
      6.000     4.500     0.000 peak  2561 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.683 ppm2      4.334 CV     1
 ASSI { 2566}
   (( segid "    " and resid 91   and name HD2 ))
   (( segid "    " and resid 90   and name HA2 ))
      6.000     4.500     0.000 peak  2566 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.494 ppm2      4.334 CV     1
 ASSI { 2567}
   (( segid "    " and resid 91   and name HD2 ))
   (( segid "    " and resid 90   and name HA1 ))
      6.000     4.500     0.000 peak  2567 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.497 ppm2      3.928 CV     1
 ASSI { 2568}
   (( segid "    " and resid 91   and name HD2 ))
   (( segid "    " and resid 91   and name HD1 ))
      6.000     4.500     0.000 peak  2568 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.493 ppm2      3.673 CV     1
 ASSI { 2569}
   (( segid "    " and resid 91   and name HD2 ))
   (( segid "    " and resid 91   and name HG2 ))
      6.000     4.500     0.000 peak  2569 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.495 ppm2      2.068 CV     1
 OR { 2569}
   (( segid "    " and resid 91   and name HD2 ))
   (( segid "    " and resid 91   and name HG1 ))
 ASSI { 2570}
   (( segid "    " and resid 133  and name HD1 ))
   (( segid "    " and resid 133  and name HD2 ))
      6.000     4.500     0.000 peak  2570 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.435 ppm2      3.118 CV     1
 ASSI { 2575}
   (( segid "    " and resid 133  and name HD2 ))
   (( segid "    " and resid 133  and name HG2 ))
      6.000     4.500     0.000 peak  2575 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.120 ppm2      1.797 CV     1
 OR { 2575}
   (( segid "    " and resid 133  and name HD2 ))
   (( segid "    " and resid 133  and name HG1 ))
 ASSI { 2576}
   (( segid "    " and resid 66   and name HD2 ))
   (( segid "    " and resid 66   and name HB2 ))
      6.000     4.500     0.000 peak  2576 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.633 ppm2      1.296 CV     1
 ASSI { 2578}
   (( segid "    " and resid 66   and name HD2 ))
   (( segid "    " and resid 66   and name HD1 ))
      6.000     4.500     0.000 peak  2578 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.629 ppm2      3.426 CV     1
 ASSI { 2579}
   (( segid "    " and resid 66   and name HD2 ))
   (( segid "    " and resid 66   and name HG1 ))
      6.000     4.500     0.000 peak  2579 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.627 ppm2      1.744 CV     1
 ASSI { 2580}
   (( segid "    " and resid 66   and name HD2 ))
   (  segid "    " and resid 65   and name HB% )
      6.000     4.500     0.000 peak  2580 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.626 ppm2      1.454 CV     1
 ASSI { 2581}
   (( segid "    " and resid 66   and name HD2 ))
   (( segid "    " and resid 66   and name HG2 ))
      6.000     4.500     0.000 peak  2581 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.627 ppm2      0.775 CV     1
 ASSI { 2582}
   (( segid "    " and resid 66   and name HD2 ))
   (( segid "    " and resid 66   and name HB1 ))
      6.000     4.500     0.000 peak  2582 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.625 ppm2      0.564 CV     1
 ASSI { 2585}
   (( segid "    " and resid 66   and name HD1 ))
   (( segid "    " and resid 66   and name HG1 ))
      6.000     4.500     0.000 peak  2585 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.430 ppm2      1.775 CV     1
 ASSI { 2586}
   (( segid "    " and resid 133  and name HD1 ))
   (( segid "    " and resid 133  and name HB2 ))
      6.000     4.500     0.000 peak  2586 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.431 ppm2      1.598 CV     1
 ASSI { 2587}
   (( segid "    " and resid 66   and name HD1 ))
   (  segid "    " and resid 65   and name HB% )
      6.000     4.500     0.000 peak  2587 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.428 ppm2      1.457 CV     1
 ASSI { 2588}
   (( segid "    " and resid 66   and name HD1 ))
   (( segid "    " and resid 66   and name HB2 ))
      6.000     4.500     0.000 peak  2588 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.426 ppm2      1.295 CV     1
 ASSI { 2589}
   (( segid "    " and resid 133  and name HD1 ))
   (  segid "    " and resid 132  and name HB% )
      6.000     4.500     0.000 peak  2589 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.432 ppm2      1.007 CV     1
 ASSI { 2590}
   (( segid "    " and resid 66   and name HD1 ))
   (( segid "    " and resid 66   and name HG2 ))
      6.000     4.500     0.000 peak  2590 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.427 ppm2      0.787 CV     1
 ASSI { 2591}
   (( segid "    " and resid 66   and name HD1 ))
   (( segid "    " and resid 66   and name HB1 ))
      6.000     4.500     0.000 peak  2591 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.423 ppm2      0.573 CV     1
 ASSI { 2592}
   (( segid "    " and resid 133  and name HD2 ))
   (  segid "    " and resid 132  and name HB% )
      6.000     4.500     0.000 peak  2592 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.130 ppm2      1.011 CV     1
 ASSI { 2593}
   (( segid "    " and resid 133  and name HD2 ))
   (( segid "    " and resid 133  and name HB2 ))
      6.000     4.500     0.000 peak  2593 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.117 ppm2      1.608 CV     1
 ASSI { 2594}
   (( segid "    " and resid 100  and name HB2 ))
   (( segid "    " and resid 100  and name HG  ))
      6.000     4.500     0.000 peak  2594 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.816 ppm2      1.610 CV     1
 ASSI { 2595}
   (( segid "    " and resid 100  and name HB1 ))
   (  segid "    " and resid 100  and name HD2%)
      6.000     4.500     0.000 peak  2595 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.019 ppm2      0.673 CV     1
 ASSI { 2596}
   (( segid "    " and resid 100  and name HB1 ))
   (( segid "    " and resid 4    and name HB1 ))
      6.000     4.500     0.000 peak  2596 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.007 ppm2      2.732 CV     1
 ASSI { 2598}
   (( segid "    " and resid 100  and name HB1 ))
   (( segid "    " and resid 100  and name HB2 ))
      6.000     4.500     0.000 peak  2598 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.996 ppm2      1.809 CV     1
 ASSI { 2599}
   (( segid "    " and resid 100  and name HB1 ))
   (( segid "    " and resid 100  and name HG  ))
      6.000     4.500     0.000 peak  2599 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.001 ppm2      1.614 CV     1
 ASSI { 2600}
   (( segid "    " and resid 100  and name HB1 ))
   (  segid "    " and resid 100  and name HD1%)
      6.000     4.500     0.000 peak  2600 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.998 ppm2      1.071 CV     1
 ASSI { 2602}
   (( segid "    " and resid 100  and name HB2 ))
   (( segid "    " and resid 4    and name HB1 ))
      6.000     4.500     0.000 peak  2602 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.813 ppm2      2.735 CV     1
 ASSI { 2603}
   (( segid "    " and resid 100  and name HB2 ))
   (  segid "    " and resid 100  and name HD1%)
      6.000     4.500     0.000 peak  2603 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.814 ppm2      1.082 CV     1
 ASSI { 2607}
   (( segid "    " and resid 11   and name HB1 ))
   (( segid "    " and resid 11   and name HB2 ))
      6.000     4.500     0.000 peak  2607 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.250 ppm2      0.958 CV     1
 ASSI { 2612}
   (( segid "    " and resid 11   and name HB2 ))
   (  segid "    " and resid 11   and name HD1%)
      6.000     4.500     0.000 peak  2612 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.953 ppm2      0.740 CV     1
 OR { 2612}
   (( segid "    " and resid 11   and name HB2 ))
   (  segid "    " and resid 11   and name HD2%)
 ASSI { 2615}
   (( segid "    " and resid 122  and name HA1 ))
   (( segid "    " and resid 122  and name HA2 ))
      6.000     4.500     0.000 peak  2615 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.159 ppm2      2.873 CV     1
 ASSI { 2616}
   (( segid "    " and resid 122  and name HA1 ))
   (( segid "    " and resid 125  and name HB2 ))
      6.000     4.500     0.000 peak  2616 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.163 ppm2      1.063 CV     1
 ASSI { 2617}
   (( segid "    " and resid 122  and name HA1 ))
   (( segid "    " and resid 125  and name HG  ))
      6.000     4.500     0.000 peak  2617 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.160 ppm2      0.339 CV     1
 ASSI { 2618}
   (( segid "    " and resid 122  and name HA1 ))
   (( segid "    " and resid 152  and name HB1 ))
      6.000     4.500     0.000 peak  2618 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.145 ppm2      2.706 CV     1
 ASSI { 2619}
   (( segid "    " and resid 102  and name HA1 ))
   (( segid "    " and resid 1    and name HA  ))
      6.000     4.500     0.000 peak  2619 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.897 ppm2      3.619 CV     1
 OR { 2619}
   (( segid "    " and resid 102  and name HA2 ))
   (( segid "    " and resid 1    and name HA  ))
 ASSI { 2620}
   (( segid "    " and resid 102  and name HA1 ))
   (( segid "    " and resid 103  and name HB1 ))
      6.000     4.500     0.000 peak  2620 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.884 ppm2      3.008 CV     1
 OR { 2620}
   (( segid "    " and resid 102  and name HA2 ))
   (( segid "    " and resid 103  and name HB1 ))
 ASSI { 2621}
   (( segid "    " and resid 102  and name HA1 ))
   (( segid "    " and resid 103  and name HB2 ))
      6.000     4.500     0.000 peak  2621 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.884 ppm2      2.669 CV     1
 OR { 2621}
   (( segid "    " and resid 102  and name HA2 ))
   (( segid "    " and resid 103  and name HB2 ))
 ASSI { 2622}
   (( segid "    " and resid 102  and name HA1 ))
   (( segid "    " and resid 104  and name HG2 ))
      6.000     4.500     0.000 peak  2622 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.883 ppm2      2.608 CV     1
 OR { 2622}
   (( segid "    " and resid 102  and name HA2 ))
   (( segid "    " and resid 104  and name HG2 ))
 ASSI { 2623}
   (( segid "    " and resid 102  and name HA1 ))
   (( segid "    " and resid 104  and name HG1 ))
      6.000     4.500     0.000 peak  2623 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.885 ppm2      2.550 CV     1
 OR { 2623}
   (( segid "    " and resid 102  and name HA2 ))
   (( segid "    " and resid 104  and name HG1 ))
 ASSI { 2625}
   (( segid "    " and resid 102  and name HA1 ))
   (( segid "    " and resid 1    and name HG21))
      6.000     4.500     0.000 peak  2625 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.888 ppm2      0.558 CV     1
 OR { 2625}
   (( segid "    " and resid 102  and name HA2 ))
   (( segid "    " and resid 1    and name HG21))
 ASSI { 2628}
   (( segid "    " and resid 122  and name HA2 ))
   (( segid "    " and resid 125  and name HB1 ))
      6.000     4.500     0.000 peak  2628 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.880 ppm2      0.955 CV     1
 ASSI { 2629}
   (( segid "    " and resid 122  and name HA2 ))
   (( segid "    " and resid 125  and name HG  ))
      6.000     4.500     0.000 peak  2629 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.880 ppm2      0.330 CV     1
 ASSI { 2631}
   (( segid "    " and resid 122  and name HA2 ))
   (( segid "    " and resid 125  and name HB2 ))
      6.000     4.500     0.000 peak  2631 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.875 ppm2      1.053 CV     1
 ASSI { 2632}
   (( segid "    " and resid 122  and name HA2 ))
   (( segid "    " and resid 155  and name HG  ))
      6.000     4.500     0.000 peak  2632 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.867 ppm2      0.799 CV     1
 ASSI { 2633}
   (( segid "    " and resid 11   and name HB1 ))
   (( segid "    " and resid 93   and name HA  ))
      6.000     4.500     0.000 peak  2633 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.254 ppm2      4.016 CV     1
 ASSI { 2635}
   (( segid "    " and resid 60   and name HB2 ))
   (  segid "    " and resid 60   and name HD2%)
      6.000     4.500     0.000 peak  2635 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.848 ppm2      0.721 CV     1
 ASSI { 2638}
   (( segid "    " and resid 60   and name HB2 ))
   (( segid "    " and resid 60   and name HB1 ))
      6.000     4.500     0.000 peak  2638 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.846 ppm2      1.011 CV     1
 ASSI { 2645}
   (( segid "    " and resid 60   and name HB1 ))
   (  segid "    " and resid 60   and name HD2%)
      6.000     4.500     0.000 peak  2645 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.026 ppm2      0.712 CV     1
 ASSI { 2647}
   (( segid "    " and resid 81   and name HA2 ))
   (( segid "    " and resid 81   and name HA1 ))
      6.000     4.500     0.000 peak  2647 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.129 ppm2      3.848 CV     1
 ASSI { 2649}
   (( segid "    " and resid 26   and name HA2 ))
   (( segid "    " and resid 33   and name HG11))
      6.000     4.500     0.000 peak  2649 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.973 ppm2      1.596 CV     1
 OR { 2649}
   (( segid "    " and resid 26   and name HA2 ))
   (( segid "    " and resid 33   and name HG12))
 ASSI { 2650}
   (( segid "    " and resid 26   and name HA2 ))
   (  segid "    " and resid 33   and name HD1%)
      6.000     4.500     0.000 peak  2650 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.979 ppm2      0.904 CV     1
 ASSI { 2651}
   (( segid "    " and resid 26   and name HA2 ))
   (  segid "    " and resid 33   and name HG2%)
      6.000     4.500     0.000 peak  2651 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.975 ppm2      0.773 CV     1
 ASSI { 2652}
   (( segid "    " and resid 26   and name HA1 ))
   (( segid "    " and resid 33   and name HG11))
      6.000     4.500     0.000 peak  2652 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.882 ppm2      1.588 CV     1
 OR { 2652}
   (( segid "    " and resid 26   and name HA1 ))
   (( segid "    " and resid 33   and name HG12))
 ASSI { 2653}
   (( segid "    " and resid 26   and name HA1 ))
   (  segid "    " and resid 33   and name HD1%)
      6.000     4.500     0.000 peak  2653 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.881 ppm2      0.907 CV     1
 ASSI { 2654}
   (( segid "    " and resid 26   and name HA1 ))
   (  segid "    " and resid 33   and name HG2%)
      6.000     4.500     0.000 peak  2654 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.874 ppm2      0.790 CV     1
 ASSI { 2656}
   (( segid "    " and resid 55   and name HB2 ))
   (( segid "    " and resid 55   and name HB1 ))
      6.000     4.500     0.000 peak  2656 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.360 ppm2      2.226 CV     1
 ASSI { 2657}
   (( segid "    " and resid 55   and name HB2 ))
   (( segid "    " and resid 127  and name HG2 ))
      6.000     4.500     0.000 peak  2657 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.361 ppm2      2.070 CV     1
 ASSI { 2661}
   (( segid "    " and resid 111  and name HB2 ))
   (( segid "    " and resid 111  and name HA  ))
      6.000     4.500     0.000 peak  2661 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.342 ppm2      3.911 CV     1
 ASSI { 2662}
   (( segid "    " and resid 111  and name HB2 ))
   (( segid "    " and resid 111  and name HB1 ))
      6.000     4.500     0.000 peak  2662 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.341 ppm2      0.922 CV     1
 ASSI { 2663}
   (( segid "    " and resid 111  and name HB2 ))
   (  segid "    " and resid 111  and name HD1%)
      6.000     4.500     0.000 peak  2663 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.343 ppm2      0.343 CV     1
 ASSI { 2667}
   (( segid "    " and resid 111  and name HB1 ))
   (  segid "    " and resid 111  and name HD1%)
      6.000     4.500     0.000 peak  2667 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.912 ppm2      0.349 CV     1
 ASSI { 2668}
   (( segid "    " and resid 140  and name HA1 ))
   (( segid "    " and resid 140  and name HA2 ))
      6.000     4.500     0.000 peak  2668 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.408 ppm2      3.530 CV     1
 ASSI { 2669}
   (( segid "    " and resid 140  and name HA1 ))
   (  segid "    " and resid 136  and name HG2%)
      6.000     4.500     0.000 peak  2669 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.408 ppm2      1.028 CV     1
 ASSI { 2671}
   (( segid "    " and resid 140  and name HA2 ))
   (  segid "    " and resid 136  and name HG2%)
      6.000     4.500     0.000 peak  2671 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.533 ppm2      1.030 CV     1
 ASSI { 2672}
   (( segid "    " and resid 95   and name HB2 ))
   (( segid "    " and resid 95   and name HB1 ))
      6.000     4.500     0.000 peak  2672 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.973 ppm2      2.271 CV     1
 ASSI { 2673}
   (( segid "    " and resid 121  and name HD1 ))
   (( segid "    " and resid 121  and name HG1 ))
      6.000     4.500     0.000 peak  2673 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.439 ppm2      1.341 CV     1
 ASSI { 2674}
   (( segid "    " and resid 121  and name HD1 ))
   (  segid "    " and resid 45   and name HD2%)
      6.000     4.500     0.000 peak  2674 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.412 ppm2      0.838 CV     1
 ASSI { 2675}
   (( segid "    " and resid 121  and name HD2 ))
   (( segid "    " and resid 121  and name HB2 ))
      6.000     4.500     0.000 peak  2675 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.373 ppm2      0.853 CV     1
 ASSI { 2676}
   (( segid "    " and resid 121  and name HD2 ))
   (( segid "    " and resid 121  and name HG2 ))
      6.000     4.500     0.000 peak  2676 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.360 ppm2      0.718 CV     1
 ASSI { 2677}
   (( segid "    " and resid 121  and name HD2 ))
   (( segid "    " and resid 121  and name HB1 ))
      6.000     4.500     0.000 peak  2677 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.359 ppm2     -0.662 CV     1
 ASSI { 2685}
   (( segid "    " and resid 94   and name HB1 ))
   (( segid "    " and resid 80   and name HB2 ))
      6.000     4.500     0.000 peak  2685 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.531 ppm2      1.788 CV     1
 OR { 2685}
   (( segid "    " and resid 94   and name HB2 ))
   (( segid "    " and resid 80   and name HB2 ))
 ASSI { 2686}
   (( segid "    " and resid 90   and name HA2 ))
   (( segid "    " and resid 90   and name HA1 ))
      6.000     4.500     0.000 peak  2686 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.332 ppm2      3.926 CV     1
 ASSI { 2690}
   (( segid "    " and resid 90   and name HA1 ))
   (( segid "    " and resid 91   and name HD1 ))
      6.000     4.500     0.000 peak  2690 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.933 ppm2      3.678 CV     1
 ASSI { 2694}
   (( segid "    " and resid 121  and name HD2 ))
   (( segid "    " and resid 121  and name HG1 ))
      6.000     4.500     0.000 peak  2694 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.360 ppm2      1.351 CV     1
 ASSI { 2695}
   (( segid "    " and resid 54   and name HB2 ))
   (( segid "    " and resid 54   and name HB1 ))
      6.000     4.500     0.000 peak  2695 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.955 ppm2      0.380 CV     1
 ASSI { 2696}
   (( segid "    " and resid 54   and name HB2 ))
   (  segid "    " and resid 54   and name HD1%)
      6.000     4.500     0.000 peak  2696 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.952 ppm2     -0.635 CV     1
 OR { 2696}
   (( segid "    " and resid 54   and name HB2 ))
   (  segid "    " and resid 54   and name HD2%)
 ASSI { 2699}
   (( segid "    " and resid 54   and name HB1 ))
   (( segid "    " and resid 14   and name HB2 ))
      6.000     4.500     0.000 peak  2699 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.392 ppm2      1.144 CV     1
 ASSI { 2703}
   (( segid "    " and resid 54   and name HB1 ))
   (  segid "    " and resid 54   and name HD2%)
      6.000     4.500     0.000 peak  2703 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.382 ppm2     -0.633 CV     1
 OR { 2703}
   (( segid "    " and resid 54   and name HB1 ))
   (  segid "    " and resid 54   and name HD1%)
 ASSI { 2706}
   (( segid "    " and resid 117  and name HB1 ))
   (( segid "    " and resid 117  and name HB2 ))
      6.000     4.500     0.000 peak  2706 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.523 ppm2      0.879 CV     1
 ASSI { 2708}
   (( segid "    " and resid 144  and name HD2 ))
   (( segid "    " and resid 144  and name HB1 ))
      6.000     4.500     0.000 peak  2708 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.393 ppm2      2.125 CV     1
 ASSI { 2721}
   (( segid "    " and resid 144  and name HD2 ))
   (( segid "    " and resid 144  and name HB2 ))
      6.000     4.500     0.000 peak  2721 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.388 ppm2      1.794 CV     1
 ASSI { 2722}
   (( segid "    " and resid 144  and name HD2 ))
   (( segid "    " and resid 144  and name HG2 ))
      6.000     4.500     0.000 peak  2722 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.387 ppm2      1.598 CV     1
 ASSI { 2723}
   (( segid "    " and resid 144  and name HD1 ))
   (( segid "    " and resid 144  and name HB1 ))
      6.000     4.500     0.000 peak  2723 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.277 ppm2      2.127 CV     1
 ASSI { 2724}
   (( segid "    " and resid 144  and name HD1 ))
   (( segid "    " and resid 144  and name HG2 ))
      6.000     4.500     0.000 peak  2724 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.276 ppm2      1.609 CV     1
 ASSI { 2725}
   (( segid "    " and resid 84   and name HD1 ))
   (( segid "    " and resid 84   and name HA  ))
      6.000     4.500     0.000 peak  2725 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.236 ppm2      4.268 CV     1
 OR { 2725}
   (( segid "    " and resid 84   and name HD2 ))
   (( segid "    " and resid 84   and name HA  ))
 ASSI { 2726}
   (( segid "    " and resid 84   and name HD1 ))
   (( segid "    " and resid 82   and name HG1 ))
      6.000     4.500     0.000 peak  2726 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.237 ppm2      1.804 CV     1
 OR { 2726}
   (( segid "    " and resid 84   and name HD2 ))
   (( segid "    " and resid 82   and name HG1 ))
 ASSI { 2727}
   (( segid "    " and resid 84   and name HD2 ))
   (( segid "    " and resid 84   and name HG1 ))
      6.000     4.500     0.000 peak  2727 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.232 ppm2      1.670 CV     1
 OR { 2727}
   (( segid "    " and resid 84   and name HD1 ))
   (( segid "    " and resid 84   and name HG2 ))
 OR { 2727}
   (( segid "    " and resid 84   and name HD2 ))
   (( segid "    " and resid 84   and name HG2 ))
 OR { 2727}
   (( segid "    " and resid 84   and name HD1 ))
   (( segid "    " and resid 84   and name HG1 ))
 ASSI { 2728}
   (( segid "    " and resid 84   and name HD2 ))
   (  segid "    " and resid 83   and name HG1%)
      6.000     4.500     0.000 peak  2728 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.234 ppm2      0.978 CV     1
 OR { 2728}
   (( segid "    " and resid 84   and name HD1 ))
   (  segid "    " and resid 83   and name HG1%)
 OR { 2728}
   (( segid "    " and resid 84   and name HD2 ))
   (  segid "    " and resid 83   and name HG2%)
 ASSI { 2738}
   (( segid "    " and resid 88   and name HD1 ))
   (( segid "    " and resid 88   and name HD2 ))
      6.000     4.500     0.000 peak  2738 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.914 ppm2      2.729 CV     1
 ASSI { 2739}
   (( segid "    " and resid 88   and name HD1 ))
   (( segid "    " and resid 88   and name HB2 ))
      6.000     4.500     0.000 peak  2739 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.913 ppm2      1.691 CV     1
 ASSI { 2740}
   (( segid "    " and resid 88   and name HD1 ))
   (( segid "    " and resid 88   and name HB1 ))
      6.000     4.500     0.000 peak  2740 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.912 ppm2      1.520 CV     1
 ASSI { 2741}
   (( segid "    " and resid 88   and name HD2 ))
   (( segid "    " and resid 88   and name HA  ))
      6.000     4.500     0.000 peak  2741 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.737 ppm2      4.076 CV     1
 ASSI { 2750}
   (( segid "    " and resid 34   and name HB2 ))
   (  segid "    " and resid 34   and name HD1%)
      6.000     4.500     0.000 peak  2750 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.677 ppm2      0.825 CV     1
 OR { 2750}
   (( segid "    " and resid 34   and name HB2 ))
   (  segid "    " and resid 34   and name HD2%)
 ASSI { 2752}
   (( segid "    " and resid 34   and name HB1 ))
   (  segid "    " and resid 34   and name HD2%)
      6.000     4.500     0.000 peak  2752 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.562 ppm2      0.825 CV     1
 OR { 2752}
   (( segid "    " and resid 34   and name HB1 ))
   (  segid "    " and resid 34   and name HD1%)
 ASSI { 2753}
   (( segid "    " and resid 34   and name HB1 ))
   (( segid "    " and resid 34   and name HB2 ))
      6.000     4.500     0.000 peak  2753 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.553 ppm2      1.680 CV     1
 ASSI { 2766}
   (( segid "    " and resid 125  and name HB2 ))
   (  segid "    " and resid 147  and name HD1%)
      6.000     4.500     0.000 peak  2766 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.068 ppm2     -0.561 CV     1
 ASSI { 2769}
   (( segid "    " and resid 125  and name HB2 ))
   (( segid "    " and resid 125  and name HA  ))
      6.000     4.500     0.000 peak  2769 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.050 ppm2      3.814 CV     1
 ASSI { 2771}
   (( segid "    " and resid 96   and name HB1 ))
   (( segid "    " and resid 76   and name HB  ))
      6.000     4.500     0.000 peak  2771 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.959 ppm2      1.876 CV     1
 ASSI { 2773}
   (( segid "    " and resid 125  and name HB1 ))
   (  segid "    " and resid 125  and name HD1%)
      6.000     4.500     0.000 peak  2773 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.955 ppm2      0.477 CV     1
 OR { 2773}
   (( segid "    " and resid 125  and name HB1 ))
   (  segid "    " and resid 125  and name HD2%)
 ASSI { 2774}
   (( segid "    " and resid 125  and name HB1 ))
   (( segid "    " and resid 125  and name HG  ))
      6.000     4.500     0.000 peak  2774 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.959 ppm2      0.326 CV     1
 ASSI { 2775}
   (( segid "    " and resid 125  and name HB1 ))
   (  segid "    " and resid 147  and name HD1%)
      6.000     4.500     0.000 peak  2775 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.955 ppm2     -0.568 CV     1
 ASSI { 2779}
   (( segid "    " and resid 75   and name HD2 ))
   (( segid "    " and resid 75   and name HD1 ))
      6.000     4.500     0.000 peak  2779 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.352 ppm2      3.192 CV     1
 ASSI { 2781}
   (( segid "    " and resid 75   and name HD2 ))
   (( segid "    " and resid 75   and name HB2 ))
      6.000     4.500     0.000 peak  2781 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.353 ppm2      2.333 CV     1
 ASSI { 2783}
   (( segid "    " and resid 75   and name HD2 ))
   (( segid "    " and resid 75   and name HG1 ))
      6.000     4.500     0.000 peak  2783 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.353 ppm2      1.682 CV     1
 ASSI { 2785}
   (( segid "    " and resid 41   and name HD1 ))
   (( segid "    " and resid 158  and name HA  ))
      6.000     4.500     0.000 peak  2785 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.193 ppm2      3.979 CV     1
 ASSI { 2786}
   (( segid "    " and resid 75   and name HD1 ))
   (( segid "    " and resid 75   and name HB2 ))
      6.000     4.500     0.000 peak  2786 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.189 ppm2      2.344 CV     1
 ASSI { 2787}
   (( segid "    " and resid 75   and name HD1 ))
   (( segid "    " and resid 75   and name HG1 ))
      6.000     4.500     0.000 peak  2787 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.190 ppm2      1.704 CV     1
 ASSI { 2788}
   (( segid "    " and resid 41   and name HD1 ))
   (( segid "    " and resid 41   and name HD2 ))
      6.000     4.500     0.000 peak  2788 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.185 ppm2      2.844 CV     1
 ASSI { 2791}
   (( segid "    " and resid 41   and name HD2 ))
   (( segid "    " and resid 158  and name HA  ))
      6.000     4.500     0.000 peak  2791 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.846 ppm2      3.975 CV     1
 ASSI { 2793}
   (( segid "    " and resid 41   and name HD2 ))
   (( segid "    " and resid 41   and name HB1 ))
      6.000     4.500     0.000 peak  2793 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.843 ppm2      1.750 CV     1
 OR { 2793}
   (( segid "    " and resid 41   and name HD2 ))
   (( segid "    " and resid 41   and name HB2 ))
 ASSI { 2794}
   (( segid "    " and resid 41   and name HD2 ))
   (( segid "    " and resid 41   and name HG2 ))
      6.000     4.500     0.000 peak  2794 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.847 ppm2      1.598 CV     1
 ASSI { 2795}
   (( segid "    " and resid 41   and name HD2 ))
   (( segid "    " and resid 41   and name HG1 ))
      6.000     4.500     0.000 peak  2795 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.838 ppm2      1.292 CV     1
 ASSI { 2800}
   (( segid "    " and resid 64   and name HB1 ))
   (( segid "    " and resid 64   and name HA  ))
      6.000     4.500     0.000 peak  2800 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.493 ppm2      4.234 CV     1
 ASSI { 2801}
   (( segid "    " and resid 64   and name HB1 ))
   (( segid "    " and resid 64   and name HB2 ))
      6.000     4.500     0.000 peak  2801 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.492 ppm2      1.749 CV     1
 ASSI { 2802}
   (( segid "    " and resid 64   and name HB1 ))
   (( segid "    " and resid 64   and name HG  ))
      6.000     4.500     0.000 peak  2802 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.490 ppm2      0.762 CV     1
 ASSI { 2808}
   (( segid "    " and resid 96   and name HB1 ))
   (( segid "    " and resid 96   and name HB2 ))
      6.000     4.500     0.000 peak  2808 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.952 ppm2      2.152 CV     1
 ASSI { 2811}
   (( segid "    " and resid 92   and name HD2 ))
   (( segid "    " and resid 48   and name HB2 ))
      6.000     4.500     0.000 peak  2811 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.534 ppm2      2.048 CV     1
 ASSI { 2814}
   (( segid "    " and resid 82   and name HD1 ))
   (  segid "    " and resid 94   and name HD2%)
      6.000     4.500     0.000 peak  2814 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.360 ppm2      0.851 CV     1
 OR { 2814}
   (( segid "    " and resid 82   and name HD1 ))
   (  segid "    " and resid 94   and name HD1%)
 ASSI { 2816}
   (( segid "    " and resid 92   and name HD1 ))
   (( segid "    " and resid 48   and name HB2 ))
      6.000     4.500     0.000 peak  2816 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.353 ppm2      2.054 CV     1
 ASSI { 2819}
   (( segid "    " and resid 41   and name HD1 ))
   (( segid "    " and resid 41   and name HG1 ))
      6.000     4.500     0.000 peak  2819 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.185 ppm2      1.292 CV     1
 ASSI { 2821}
   (( segid "    " and resid 25   and name HB2 ))
   (( segid "    " and resid 25   and name HG  ))
      6.000     4.500     0.000 peak  2821 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.132 ppm2      1.976 CV     1
 ASSI { 2823}
   (( segid "    " and resid 25   and name HB2 ))
   (( segid "    " and resid 25   and name HB1 ))
      6.000     4.500     0.000 peak  2823 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.131 ppm2      1.196 CV     1
 ASSI { 2824}
   (( segid "    " and resid 25   and name HB2 ))
   (  segid "    " and resid 25   and name HD1%)
      6.000     4.500     0.000 peak  2824 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.133 ppm2      0.845 CV     1
 OR { 2824}
   (( segid "    " and resid 25   and name HB2 ))
   (  segid "    " and resid 25   and name HD2%)
 ASSI { 2827}
   (( segid "    " and resid 135  and name HB1 ))
   (( segid "    " and resid 143  and name HB1 ))
      6.000     4.500     0.000 peak  2827 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.732 ppm2      2.213 CV     1
 ASSI { 2829}
   (( segid "    " and resid 135  and name HB1 ))
   (  segid "    " and resid 135  and name HD2%)
      6.000     4.500     0.000 peak  2829 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.731 ppm2      0.377 CV     1
 ASSI { 2830}
   (( segid "    " and resid 135  and name HB1 ))
   (  segid "    " and resid 135  and name HD1%)
      6.000     4.500     0.000 peak  2830 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.731 ppm2      0.116 CV     1
 ASSI { 2831}
   (( segid "    " and resid 15   and name HB2 ))
   (( segid "    " and resid 16   and name HG1 ))
      6.000     4.500     0.000 peak  2831 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.729 ppm2      2.379 CV     1
 OR { 2831}
   (( segid "    " and resid 15   and name HB2 ))
   (( segid "    " and resid 16   and name HG2 ))
 ASSI { 2833}
   (( segid "    " and resid 135  and name HB2 ))
   (( segid "    " and resid 135  and name HA  ))
      6.000     4.500     0.000 peak  2833 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.317 ppm2      3.844 CV     1
 ASSI { 2834}
   (( segid "    " and resid 135  and name HB2 ))
   (  segid "    " and resid 135  and name HD1%)
      6.000     4.500     0.000 peak  2834 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.320 ppm2      0.113 CV     1
 ASSI { 2835}
   (( segid "    " and resid 135  and name HB2 ))
   (  segid "    " and resid 135  and name HD2%)
      6.000     4.500     0.000 peak  2835 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.312 ppm2      0.378 CV     1
 ASSI { 2837}
   (( segid "    " and resid 25   and name HB1 ))
   (  segid "    " and resid 25   and name HD2%)
      6.000     4.500     0.000 peak  2837 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.200 ppm2      0.847 CV     1
 OR { 2837}
   (( segid "    " and resid 25   and name HB1 ))
   (  segid "    " and resid 25   and name HD1%)
 ASSI { 2845}
   (( segid "    " and resid 150  and name HD1 ))
   (( segid "    " and resid 150  and name HG2 ))
      6.000     4.500     0.000 peak  2845 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.114 ppm2      1.475 CV     1
 ASSI { 2846}
   (( segid "    " and resid 150  and name HD1 ))
   (( segid "    " and resid 150  and name HB1 ))
      6.000     4.500     0.000 peak  2846 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.116 ppm2      1.265 CV     1
 ASSI { 2848}
   (( segid "    " and resid 150  and name HD1 ))
   (  segid "    " and resid 146  and name HG2%)
      6.000     4.500     0.000 peak  2848 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.116 ppm2      0.752 CV     1
 ASSI { 2850}
   (( segid "    " and resid 150  and name HD2 ))
   (( segid "    " and resid 150  and name HB1 ))
      6.000     4.500     0.000 peak  2850 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.009 ppm2      1.298 CV     1
 ASSI { 2855}
   (( segid "    " and resid 150  and name HD2 ))
   (  segid "    " and resid 125  and name HD1%)
      6.000     4.500     0.000 peak  2855 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.973 ppm2      0.487 CV     1
 ASSI { 2856}
   (( segid "    " and resid 157  and name HE1 ))
   (( segid "    " and resid 157  and name HG2 ))
      6.000     4.500     0.000 peak  2856 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.958 ppm2      1.624 CV     1
 OR { 2856}
   (( segid "    " and resid 157  and name HE2 ))
   (( segid "    " and resid 157  and name HG2 ))
 ASSI { 2858}
   (( segid "    " and resid 128  and name HB2 ))
   (( segid "    " and resid 128  and name HG  ))
      6.000     4.500     0.000 peak  2858 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.043 ppm2      0.309 CV     1
 ASSI { 2860}
   (( segid "    " and resid 128  and name HB2 ))
   (( segid "    " and resid 128  and name HB1 ))
      6.000     4.500     0.000 peak  2860 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.036 ppm2      1.221 CV     1
 ASSI { 2861}
   (( segid "    " and resid 128  and name HB2 ))
   (  segid "    " and resid 128  and name HD1%)
      6.000     4.500     0.000 peak  2861 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.039 ppm2      0.585 CV     1
 OR { 2861}
   (( segid "    " and resid 128  and name HB2 ))
   (  segid "    " and resid 128  and name HD2%)
 ASSI { 2864}
   (( segid "    " and resid 15   and name HB2 ))
   (  segid "    " and resid 15   and name HD1%)
      6.000     4.500     0.000 peak  2864 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.726 ppm2      1.008 CV     1
 OR { 2864}
   (( segid "    " and resid 15   and name HB2 ))
   (  segid "    " and resid 15   and name HD2%)
 ASSI { 2865}
   (( segid "    " and resid 15   and name HB2 ))
   (  segid "    " and resid 54   and name HD2%)
      6.000     4.500     0.000 peak  2865 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.709 ppm2     -0.627 CV     1
 ASSI { 2868}
   (( segid "    " and resid 45   and name HB1 ))
   (( segid "    " and resid 45   and name HG  ))
      6.000     4.500     0.000 peak  2868 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.608 ppm2      1.346 CV     1
 OR { 2868}
   (( segid "    " and resid 45   and name HB2 ))
   (( segid "    " and resid 45   and name HG  ))
 ASSI { 2869}
   (( segid "    " and resid 45   and name HB2 ))
   (  segid "    " and resid 45   and name HD1%)
      6.000     4.500     0.000 peak  2869 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.610 ppm2      1.055 CV     1
 OR { 2869}
   (( segid "    " and resid 45   and name HB1 ))
   (  segid "    " and resid 45   and name HD1%)
 ASSI { 2870}
   (( segid "    " and resid 45   and name HB1 ))
   (  segid "    " and resid 45   and name HD2%)
      6.000     4.500     0.000 peak  2870 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.611 ppm2      0.845 CV     1
 OR { 2870}
   (( segid "    " and resid 45   and name HB2 ))
   (  segid "    " and resid 45   and name HD2%)
 ASSI { 2872}
   (( segid "    " and resid 106  and name HB  ))
   (( segid "    " and resid 106  and name HA  ))
      6.000     4.500     0.000 peak  2872 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.453 ppm2      4.314 CV     1
 ASSI { 2876}
   (( segid "    " and resid 15   and name HB1 ))
   (( segid "    " and resid 15   and name HB2 ))
      6.000     4.500     0.000 peak  2876 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.275 ppm2      1.723 CV     1
 ASSI { 2877}
   (( segid "    " and resid 15   and name HB1 ))
   (  segid "    " and resid 15   and name HD2%)
      6.000     4.500     0.000 peak  2877 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.276 ppm2      1.004 CV     1
 OR { 2877}
   (( segid "    " and resid 15   and name HB1 ))
   (  segid "    " and resid 15   and name HD1%)
 ASSI { 2878}
   (( segid "    " and resid 15   and name HB1 ))
   (( segid "    " and resid 15   and name HG  ))
      6.000     4.500     0.000 peak  2878 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.268 ppm2      1.504 CV     1
 ASSI { 2882}
   (( segid "    " and resid 128  and name HB1 ))
   (  segid "    " and resid 128  and name HD2%)
      6.000     4.500     0.000 peak  2882 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.224 ppm2      0.596 CV     1
 OR { 2882}
   (( segid "    " and resid 128  and name HB1 ))
   (  segid "    " and resid 128  and name HD1%)
 ASSI { 2883}
   (( segid "    " and resid 128  and name HB1 ))
   (( segid "    " and resid 128  and name HG  ))
      6.000     4.500     0.000 peak  2883 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.229 ppm2      0.313 CV     1
 ASSI { 2884}
   (( segid "    " and resid 128  and name HB1 ))
   (( segid "    " and resid 128  and name HA  ))
      6.000     4.500     0.000 peak  2884 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.217 ppm2      3.855 CV     1
 ASSI { 2885}
   (( segid "    " and resid 150  and name HD2 ))
   (( segid "    " and resid 150  and name HB2 ))
      6.000     4.500     0.000 peak  2885 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.001 ppm2      0.970 CV     1
 ASSI { 2887}
   (( segid "    " and resid 154  and name HE1 ))
   (( segid "    " and resid 154  and name HB2 ))
      6.000     4.500     0.000 peak  2887 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.854 ppm2      1.399 CV     1
 OR { 2887}
   (( segid "    " and resid 154  and name HE1 ))
   (( segid "    " and resid 154  and name HB1 ))
 OR { 2887}
   (( segid "    " and resid 154  and name HE2 ))
   (( segid "    " and resid 154  and name HB2 ))
 OR { 2887}
   (( segid "    " and resid 154  and name HE2 ))
   (( segid "    " and resid 154  and name HB1 ))
 ASSI { 2888}
   (( segid "    " and resid 154  and name HE1 ))
   (( segid "    " and resid 154  and name HG1 ))
      6.000     4.500     0.000 peak  2888 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.855 ppm2      1.197 CV     1
 OR { 2888}
   (( segid "    " and resid 154  and name HE2 ))
   (( segid "    " and resid 154  and name HG1 ))
 ASSI { 2889}
   (( segid "    " and resid 154  and name HE1 ))
   (( segid "    " and resid 154  and name HG2 ))
      6.000     4.500     0.000 peak  2889 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.856 ppm2      0.738 CV     1
 OR { 2889}
   (( segid "    " and resid 154  and name HE2 ))
   (( segid "    " and resid 154  and name HG2 ))
 ASSI { 2891}
   (( segid "    " and resid 27   and name HB1 ))
   (( segid "    " and resid 27   and name HB2 ))
      6.000     4.500     0.000 peak  2891 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.591 ppm2      2.932 CV     1
 ASSI { 2894}
   (( segid "    " and resid 143  and name HB1 ))
   (( segid "    " and resid 143  and name HG  ))
      6.000     4.500     0.000 peak  2894 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.212 ppm2      0.965 CV     1
 ASSI { 2895}
   (( segid "    " and resid 143  and name HB1 ))
   (( segid "    " and resid 143  and name HB2 ))
      6.000     4.500     0.000 peak  2895 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.206 ppm2      1.358 CV     1
 ASSI { 2898}
   (( segid "    " and resid 128  and name HB2 ))
   (( segid "    " and resid 143  and name HG  ))
      6.000     4.500     0.000 peak  2898 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.038 ppm2      0.974 CV     1
 ASSI { 2900}
   (( segid "    " and resid 78   and name HB1 ))
   (( segid "    " and resid 78   and name HB2 ))
      6.000     4.500     0.000 peak  2900 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.957 ppm2      1.795 CV     1
 ASSI { 2901}
   (( segid "    " and resid 78   and name HB1 ))
   (( segid "    " and resid 78   and name HG  ))
      6.000     4.500     0.000 peak  2901 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.959 ppm2      0.985 CV     1
 ASSI { 2909}
   (( segid "    " and resid 106  and name HB  ))
   (  segid "    " and resid 106  and name HG2%)
      6.000     4.500     0.000 peak  2909 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.451 ppm2      0.921 CV     1
 ASSI { 2910}
   (( segid "    " and resid 106  and name HB  ))
   (  segid "    " and resid 106  and name HD1%)
      6.000     4.500     0.000 peak  2910 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.453 ppm2      0.643 CV     1
 ASSI { 2918}
   (( segid "    " and resid 22   and name HB1 ))
   (( segid "    " and resid 22   and name HA  ))
      6.000     4.500     0.000 peak  2918 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.063 ppm2      3.977 CV     1
 ASSI { 2919}
   (( segid "    " and resid 22   and name HB1 ))
   (( segid "    " and resid 22   and name HB2 ))
      6.000     4.500     0.000 peak  2919 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.068 ppm2      1.476 CV     1
 ASSI { 2920}
   (( segid "    " and resid 22   and name HB1 ))
   (  segid "    " and resid 22   and name HD1%)
      6.000     4.500     0.000 peak  2920 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.061 ppm2      1.134 CV     1
 ASSI { 2926}
   (( segid "    " and resid 5    and name HB  ))
   (  segid "    " and resid 5    and name HG2%)
      6.000     4.500     0.000 peak  2926 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.785 ppm2      0.853 CV     1
 ASSI { 2927}
   (( segid "    " and resid 5    and name HB  ))
   (( segid "    " and resid 5    and name HG11))
      6.000     4.500     0.000 peak  2927 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.779 ppm2      1.603 CV     1
 OR { 2927}
   (( segid "    " and resid 5    and name HB  ))
   (( segid "    " and resid 5    and name HG12))
 ASSI { 2928}
   (( segid "    " and resid 22   and name HB2 ))
   (( segid "    " and resid 22   and name HA  ))
      6.000     4.500     0.000 peak  2928 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.468 ppm2      3.974 CV     1
 ASSI { 2930}
   (( segid "    " and resid 22   and name HB2 ))
   (  segid "    " and resid 22   and name HD1%)
      6.000     4.500     0.000 peak  2930 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.467 ppm2      1.132 CV     1
 ASSI { 2932}
   (( segid "    " and resid 147  and name HB1 ))
   (( segid "    " and resid 147  and name HB2 ))
      6.000     4.500     0.000 peak  2932 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.092 ppm2      0.647 CV     1
 ASSI { 2933}
   (( segid "    " and resid 147  and name HB1 ))
   (  segid "    " and resid 147  and name HD2%)
      6.000     4.500     0.000 peak  2933 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.093 ppm2     -0.460 CV     1
 ASSI { 2934}
   (( segid "    " and resid 147  and name HB1 ))
   (  segid "    " and resid 147  and name HD1%)
      6.000     4.500     0.000 peak  2934 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.095 ppm2     -0.570 CV     1
 ASSI { 2936}
   (( segid "    " and resid 147  and name HB1 ))
   (( segid "    " and resid 147  and name HG  ))
      6.000     4.500     0.000 peak  2936 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.091 ppm2      0.875 CV     1
 ASSI { 2939}
   (( segid "    " and resid 70   and name HB1 ))
   (  segid "    " and resid 98   and name HG2%)
      6.000     4.500     0.000 peak  2939 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.022 ppm2      0.807 CV     1
 ASSI { 2940}
   (( segid "    " and resid 70   and name HB1 ))
   (  segid "    " and resid 70   and name HD2%)
      6.000     4.500     0.000 peak  2940 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.019 ppm2      0.491 CV     1
 ASSI { 2941}
   (( segid "    " and resid 70   and name HB1 ))
   (  segid "    " and resid 111  and name HD1%)
      6.000     4.500     0.000 peak  2941 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.017 ppm2      0.349 CV     1
 ASSI { 2944}
   (( segid "    " and resid 147  and name HB2 ))
   (( segid "    " and resid 147  and name HG  ))
      6.000     4.500     0.000 peak  2944 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.655 ppm2      0.868 CV     1
 ASSI { 2945}
   (( segid "    " and resid 147  and name HB2 ))
   (  segid "    " and resid 147  and name HD1%)
      6.000     4.500     0.000 peak  2945 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.656 ppm2     -0.570 CV     1
 ASSI { 2947}
   (( segid "    " and resid 101  and name HB2 ))
   (( segid "    " and resid 101  and name HB1 ))
      6.000     4.500     0.000 peak  2947 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.335 ppm2      2.329 CV     1
 ASSI { 2949}
   (( segid "    " and resid 101  and name HB2 ))
   (  segid "    " and resid 113  and name HG2%)
      6.000     4.500     0.000 peak  2949 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.333 ppm2      1.175 CV     1
 ASSI { 2950}
   (( segid "    " and resid 101  and name HB2 ))
   (( segid "    " and resid 98   and name HG11))
      6.000     4.500     0.000 peak  2950 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.335 ppm2      0.978 CV     1
 ASSI { 2952}
   (( segid "    " and resid 40   and name HB2 ))
   (  segid "    " and resid 155  and name HD1%)
      6.000     4.500     0.000 peak  2952 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.062 ppm2      0.498 CV     1
 OR { 2952}
   (( segid "    " and resid 40   and name HB2 ))
   (  segid "    " and resid 155  and name HD2%)
 ASSI { 2954}
   (( segid "    " and resid 40   and name HB1 ))
   (  segid "    " and resid 155  and name HD1%)
      6.000     4.500     0.000 peak  2954 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.694 ppm2      0.500 CV     1
 OR { 2954}
   (( segid "    " and resid 40   and name HB1 ))
   (  segid "    " and resid 155  and name HD2%)
 ASSI { 2956}
   (( segid "    " and resid 153  and name HB2 ))
   (( segid "    " and resid 154  and name HG2 ))
      6.000     6.000     0.000 peak  2956 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.594 ppm2      0.781 CV     1
 ASSI { 2959}
   (( segid "    " and resid 101  and name HB1 ))
   (( segid "    " and resid 98   and name HG11))
      6.000     4.500     0.000 peak  2959 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.325 ppm2      0.981 CV     1
 ASSI { 2964}
   (( segid "    " and resid 70   and name HB1 ))
   (( segid "    " and resid 98   and name HG12))
      6.000     4.500     0.000 peak  2964 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.023 ppm2      1.862 CV     1
 ASSI { 2968}
   (( segid "    " and resid 53   and name HB2 ))
   (( segid "    " and resid 53   and name HB1 ))
      6.000     4.500     0.000 peak  2968 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.911 ppm2      2.247 CV     1
 ASSI { 2973}
   (( segid "    " and resid 52   and name HB1 ))
   (( segid "    " and resid 52   and name HB2 ))
      6.000     4.500     0.000 peak  2973 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.646 ppm2      2.433 CV     1
 ASSI { 2975}
   (( segid "    " and resid 52   and name HB1 ))
   (( segid "    " and resid 41   and name HB2 ))
      6.000     4.500     0.000 peak  2975 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.649 ppm2      1.751 CV     1
 OR { 2975}
   (( segid "    " and resid 52   and name HB1 ))
   (( segid "    " and resid 41   and name HB1 ))
 ASSI { 2976}
   (( segid "    " and resid 52   and name HB1 ))
   (( segid "    " and resid 41   and name HG1 ))
      6.000     4.500     0.000 peak  2976 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.642 ppm2      1.326 CV     1
 ASSI { 2978}
   (( segid "    " and resid 97   and name HB1 ))
   (( segid "    " and resid 97   and name HB2 ))
      6.000     4.500     0.000 peak  2978 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.530 ppm2      2.363 CV     1
 ASSI { 2980}
   (( segid "    " and resid 97   and name HB1 ))
   (( segid "    " and resid 70   and name HG  ))
      6.000     4.500     0.000 peak  2980 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.523 ppm2      1.347 CV     1
 ASSI { 2982}
   (( segid "    " and resid 52   and name HB2 ))
   (( segid "    " and resid 41   and name HG2 ))
      6.000     4.500     0.000 peak  2982 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.428 ppm2      1.593 CV     1
 ASSI { 2987}
   (( segid "    " and resid 119  and name HE1 ))
   (( segid "    " and resid 119  and name HB2 ))
      6.000     4.500     0.000 peak  2987 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.303 ppm2      1.659 CV     1
 ASSI { 2988}
   (( segid "    " and resid 119  and name HE1 ))
   (( segid "    " and resid 119  and name HE2 ))
      6.000     4.500     0.000 peak  2988 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.305 ppm2      1.502 CV     1
 ASSI { 2989}
   (( segid "    " and resid 119  and name HE1 ))
   (  segid "    " and resid 146  and name HD1%)
      6.000     4.500     0.000 peak  2989 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.306 ppm2      0.500 CV     1
 ASSI { 2990}
   (( segid "    " and resid 119  and name HE1 ))
   (( segid "    " and resid 119  and name HG2 ))
      6.000     4.500     0.000 peak  2990 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.301 ppm2      1.308 CV     1
 ASSI { 2993}
   (( segid "    " and resid 69   and name HB1 ))
   (( segid "    " and resid 69   and name HB2 ))
      6.000     4.500     0.000 peak  2993 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.208 ppm2      1.326 CV     1
 ASSI { 2997}
   (( segid "    " and resid 7    and name HB  ))
   (( segid "    " and resid 96   and name HB1 ))
      6.000     4.500     0.000 peak  2997 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.486 ppm2      0.974 CV     1
 ASSI { 2999}
   (( segid "    " and resid 69   and name HB2 ))
   (( segid "    " and resid 64   and name HB1 ))
      6.000     4.500     0.000 peak  2999 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.330 ppm2      1.489 CV     1
 ASSI { 3001}
   (( segid "    " and resid 139  and name HB2 ))
   (( segid "    " and resid 139  and name HB1 ))
      6.000     4.500     0.000 peak  3001 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.045 ppm2      2.594 CV     1
 ASSI { 3003}
   (( segid "    " and resid 156  and name HB1 ))
   (( segid "    " and resid 154  and name HB1 ))
      6.000     4.500     0.000 peak  3003 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.866 ppm2      1.403 CV     1
 OR { 3003}
   (( segid "    " and resid 156  and name HB1 ))
   (( segid "    " and resid 154  and name HB2 ))
 OR { 3003}
   (( segid "    " and resid 156  and name HB2 ))
   (( segid "    " and resid 154  and name HB1 ))
 OR { 3003}
   (( segid "    " and resid 156  and name HB2 ))
   (( segid "    " and resid 154  and name HB2 ))
 ASSI { 3009}
   (( segid "    " and resid 4    and name HB1 ))
   (( segid "    " and resid 128  and name HB2 ))
      6.000     4.500     0.000 peak  3009 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.752 ppm2      2.066 CV     1
 ASSI { 3011}
   (( segid "    " and resid 107  and name HB1 ))
   (  segid "    " and resid 112  and name HG2%)
      6.000     4.500     0.000 peak  3011 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.755 ppm2      1.454 CV     1
 ASSI { 3015}
   (( segid "    " and resid 4    and name HB1 ))
   (( segid "    " and resid 128  and name HG  ))
      6.000     4.500     0.000 peak  3015 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.745 ppm2      0.306 CV     1
 ASSI { 3022}
   (( segid "    " and resid 120  and name HB1 ))
   (( segid "    " and resid 120  and name HB2 ))
      6.000     4.500     0.000 peak  3022 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.524 ppm2      3.006 CV     1
 ASSI { 3023}
   (( segid "    " and resid 69   and name HB1 ))
   (( segid "    " and resid 69   and name HA  ))
      6.000     4.500     0.000 peak  3023 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.214 ppm2      4.206 CV     1
 ASSI { 3024}
   (( segid "    " and resid 69   and name HB1 ))
   (( segid "    " and resid 69   and name HG  ))
      6.000     4.500     0.000 peak  3024 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.221 ppm2      1.627 CV     1
 ASSI { 3025}
   (( segid "    " and resid 69   and name HB1 ))
   (  segid "    " and resid 69   and name HD2%)
      6.000     4.500     0.000 peak  3025 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.216 ppm2      1.026 CV     1
 ASSI { 3028}
   (( segid "    " and resid 7    and name HB  ))
   (  segid "    " and resid 7    and name HG2%)
      6.000     4.500     0.000 peak  3028 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.474 ppm2      0.780 CV     1
 ASSI { 3029}
   (( segid "    " and resid 7    and name HB  ))
   (  segid "    " and resid 18   and name HG2%)
      6.000     4.500     0.000 peak  3029 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.471 ppm2      0.247 CV     1
 ASSI { 3030}
   (( segid "    " and resid 69   and name HB2 ))
   (( segid "    " and resid 64   and name HG  ))
      6.000     4.500     0.000 peak  3030 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.340 ppm2      0.773 CV     1
 ASSI { 3032}
   (( segid "    " and resid 69   and name HB2 ))
   (( segid "    " and resid 69   and name HG  ))
      6.000     4.500     0.000 peak  3032 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.328 ppm2      1.622 CV     1
 ASSI { 3033}
   (( segid "    " and resid 69   and name HB2 ))
   (( segid "    " and resid 98   and name HG11))
      6.000     4.500     0.000 peak  3033 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.327 ppm2      0.993 CV     1
 ASSI { 3036}
   (( segid "    " and resid 129  and name HB1 ))
   (( segid "    " and resid 133  and name HB1 ))
      6.000     4.500     0.000 peak  3036 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.883 ppm2      1.495 CV     1
 ASSI { 3037}
   (( segid "    " and resid 156  and name HB1 ))
   (( segid "    " and resid 41   and name HB1 ))
      6.000     4.500     0.000 peak  3037 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.873 ppm2      1.743 CV     1
 OR { 3037}
   (( segid "    " and resid 156  and name HB2 ))
   (( segid "    " and resid 41   and name HB1 ))
 OR { 3037}
   (( segid "    " and resid 156  and name HB1 ))
   (( segid "    " and resid 41   and name HB2 ))
 ASSI { 3040}
   (( segid "    " and resid 152  and name HB2 ))
   (  segid "    " and resid 147  and name HD1%)
      6.000     4.500     0.000 peak  3040 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.387 ppm2     -0.569 CV     1
 ASSI { 3041}
   (( segid "    " and resid 152  and name HB2 ))
   (( segid "    " and resid 152  and name HB1 ))
      6.000     4.500     0.000 peak  3041 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.382 ppm2      2.679 CV     1
 ASSI { 3042}
   (( segid "    " and resid 129  and name HB2 ))
   (  segid "    " and resid 147  and name HD2%)
      6.000     4.500     0.000 peak  3042 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.191 ppm2     -0.461 CV     1
 ASSI { 3044}
   (( segid "    " and resid 129  and name HB2 ))
   (( segid "    " and resid 129  and name HB1 ))
      6.000     4.500     0.000 peak  3044 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.179 ppm2      2.900 CV     1
 ASSI { 3059}
   (( segid "    " and resid 10   and name HB2 ))
   (( segid "    " and resid 51   and name HG2 ))
      6.000     4.500     0.000 peak  3059 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.408 ppm2      2.155 CV     1
 OR { 3059}
   (( segid "    " and resid 10   and name HB2 ))
   (( segid "    " and resid 51   and name HB1 ))
 ASSI { 3061}
   (( segid "    " and resid 10   and name HB2 ))
   (( segid "    " and resid 10   and name HB1 ))
      6.000     4.500     0.000 peak  3061 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.384 ppm2      0.643 CV     1
 ASSI { 3062}
   (( segid "    " and resid 10   and name HB1 ))
   (( segid "    " and resid 51   and name HG2 ))
      6.000     4.500     0.000 peak  3062 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.633 ppm2      2.151 CV     1
 OR { 3062}
   (( segid "    " and resid 10   and name HB1 ))
   (( segid "    " and resid 51   and name HB1 ))
 ASSI { 3066}
   (( segid "    " and resid 103  and name HB1 ))
   (( segid "    " and resid 103  and name HB2 ))
      6.000     4.500     0.000 peak  3066 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.009 ppm2      2.681 CV     1
 ASSI { 3067}
   (( segid "    " and resid 103  and name HB1 ))
   (( segid "    " and resid 138  and name HB1 ))
      6.000     4.500     0.000 peak  3067 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.009 ppm2      2.422 CV     1
 ASSI { 3068}
   (( segid "    " and resid 103  and name HB1 ))
   (( segid "    " and resid 138  and name HG1 ))
      6.000     4.500     0.000 peak  3068 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.011 ppm2      2.002 CV     1
 OR { 3068}
   (( segid "    " and resid 103  and name HB1 ))
   (( segid "    " and resid 138  and name HG2 ))
 ASSI { 3072}
   (( segid "    " and resid 103  and name HB2 ))
   (( segid "    " and resid 138  and name HB1 ))
      6.000     4.500     0.000 peak  3072 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.679 ppm2      2.419 CV     1
 ASSI { 3078}
   (( segid "    " and resid 49   and name HB1 ))
   (( segid "    " and resid 48   and name HB1 ))
      6.000     4.500     0.000 peak  3078 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.677 ppm2      2.324 CV     1
 ASSI { 3080}
   (( segid "    " and resid 131  and name HB  ))
   (( segid "    " and resid 131  and name HG11))
      6.000     4.500     0.000 peak  3080 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.155 ppm2      1.657 CV     1
 OR { 3080}
   (( segid "    " and resid 131  and name HB  ))
   (( segid "    " and resid 131  and name HG12))
 ASSI { 3082}
   (( segid "    " and resid 131  and name HB  ))
   (  segid "    " and resid 59   and name HB% )
      6.000     4.500     0.000 peak  3082 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.152 ppm2      1.271 CV     1
 ASSI { 3083}
   (( segid "    " and resid 131  and name HB  ))
   (  segid "    " and resid 132  and name HB% )
      6.000     4.500     0.000 peak  3083 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.149 ppm2      1.002 CV     1
 ASSI { 3084}
   (( segid "    " and resid 131  and name HB  ))
   (  segid "    " and resid 131  and name HG2%)
      6.000     4.500     0.000 peak  3084 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.152 ppm2      0.854 CV     1
 ASSI { 3087}
   (( segid "    " and resid 137  and name HB2 ))
   (( segid "    " and resid 137  and name HB1 ))
      6.000     4.500     0.000 peak  3087 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.384 ppm2      3.248 CV     1
 ASSI { 3093}
   (( segid "    " and resid 33   and name HB  ))
   (  segid "    " and resid 33   and name HD1%)
      6.000     4.500     0.000 peak  3093 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.787 ppm2      0.918 CV     1
 ASSI { 3098}
   (( segid "    " and resid 116  and name HB1 ))
   (( segid "    " and resid 116  and name HB2 ))
      6.000     4.500     0.000 peak  3098 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.078 ppm2      2.971 CV     1
 ASSI { 3101}
   (( segid "    " and resid 116  and name HB2 ))
   (( segid "    " and resid 116  and name HA  ))
      6.000     4.500     0.000 peak  3101 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.976 ppm2      4.188 CV     1
 ASSI { 3103}
   (( segid "    " and resid 67   and name HG1 ))
   (( segid "    " and resid 67   and name HG2 ))
      6.000     4.500     0.000 peak  3103 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.154 ppm2      1.982 CV     1
 ASSI { 3104}
   (( segid "    " and resid 67   and name HG1 ))
   (( segid "    " and resid 67   and name HB2 ))
      6.000     4.500     0.000 peak  3104 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.155 ppm2      1.863 CV     1
 OR { 3104}
   (( segid "    " and resid 67   and name HG1 ))
   (( segid "    " and resid 67   and name HB1 ))
 ASSI { 3108}
   (( segid "    " and resid 67   and name HG2 ))
   (( segid "    " and resid 66   and name HG1 ))
      6.000     4.500     0.000 peak  3108 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.981 ppm2      1.723 CV     1
 ASSI { 3110}
   (( segid "    " and resid 67   and name HG2 ))
   (( segid "    " and resid 111  and name HG  ))
      6.000     4.500     0.000 peak  3110 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.971 ppm2      1.052 CV     1
 ASSI { 3114}
   (( segid "    " and resid 146  and name HB  ))
   (( segid "    " and resid 150  and name HG2 ))
      6.000     4.500     0.000 peak  3114 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.789 ppm2      1.426 CV     1
 ASSI { 3115}
   (( segid "    " and resid 146  and name HB  ))
   (( segid "    " and resid 125  and name HG  ))
      6.000     4.500     0.000 peak  3115 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.793 ppm2      0.331 CV     1
 ASSI { 3116}
   (( segid "    " and resid 28   and name HB  ))
   (( segid "    " and resid 28   and name HA  ))
      6.000     4.500     0.000 peak  3116 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.578 ppm2      3.778 CV     1
 ASSI { 3117}
   (( segid "    " and resid 28   and name HB  ))
   (( segid "    " and resid 31   and name HB2 ))
      6.000     4.500     0.000 peak  3117 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.581 ppm2      3.615 CV     1
 OR { 3117}
   (( segid "    " and resid 28   and name HB  ))
   (( segid "    " and resid 31   and name HB1 ))
 ASSI { 3118}
   (( segid "    " and resid 28   and name HB  ))
   (( segid "    " and resid 28   and name HG11))
      6.000     4.500     0.000 peak  3118 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.583 ppm2      2.087 CV     1
 OR { 3118}
   (( segid "    " and resid 28   and name HB  ))
   (( segid "    " and resid 28   and name HG12))
 ASSI { 3119}
   (( segid "    " and resid 28   and name HB  ))
   (  segid "    " and resid 28   and name HD1%)
      6.000     4.500     0.000 peak  3119 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.582 ppm2      0.795 CV     1
 ASSI { 3120}
   (( segid "    " and resid 39   and name HB2 ))
   (( segid "    " and resid 158  and name HB2 ))
      6.000     4.500     0.000 peak  3120 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.373 ppm2      3.071 CV     1
 ASSI { 3121}
   (( segid "    " and resid 39   and name HB2 ))
   (  segid "    " and resid 54   and name HD1%)
      6.000     4.500     0.000 peak  3121 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.364 ppm2     -0.634 CV     1
 OR { 3121}
   (( segid "    " and resid 39   and name HB2 ))
   (  segid "    " and resid 54   and name HD2%)
 ASSI { 3126}
   (( segid "    " and resid 19   and name HB2 ))
   (( segid "    " and resid 19   and name HB1 ))
      6.000     4.500     0.000 peak  3126 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.859 ppm2      2.695 CV     1
 ASSI { 3128}
   (( segid "    " and resid 39   and name HB1 ))
   (( segid "    " and resid 158  and name HB2 ))
      6.000     4.500     0.000 peak  3128 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.770 ppm2      3.071 CV     1
 ASSI { 3129}
   (( segid "    " and resid 39   and name HB1 ))
   (( segid "    " and resid 54   and name HB2 ))
      6.000     4.500     0.000 peak  3129 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.767 ppm2      0.948 CV     1
 ASSI { 3133}
   (( segid "    " and resid 67   and name HG1 ))
   (( segid "    " and resid 68   and name HB2 ))
      6.000     4.500     0.000 peak  3133 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.143 ppm2      2.313 CV     1
 OR { 3133}
   (( segid "    " and resid 67   and name HG1 ))
   (( segid "    " and resid 68   and name HB1 ))
 ASSI { 3136}
   (( segid "    " and resid 67   and name HG2 ))
   (( segid "    " and resid 111  and name HB2 ))
      6.000     4.500     0.000 peak  3136 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.986 ppm2      1.371 CV     1
 ASSI { 3137}
   (( segid "    " and resid 67   and name HG2 ))
   (( segid "    " and resid 111  and name HB1 ))
      6.000     4.500     0.000 peak  3137 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.984 ppm2      0.903 CV     1
 ASSI { 3142}
   (( segid "    " and resid 28   and name HB  ))
   (  segid "    " and resid 28   and name HG2%)
      6.000     4.500     0.000 peak  3142 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.580 ppm2      0.612 CV     1
 ASSI { 3144}
   (( segid "    " and resid 123  and name HB1 ))
   (( segid "    " and resid 123  and name HB2 ))
      6.000     4.500     0.000 peak  3144 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.354 ppm2      2.792 CV     1
 ASSI { 3155}
   (( segid "    " and resid 39   and name HB1 ))
   (  segid "    " and resid 54   and name HD1%)
      6.000     4.500     0.000 peak  3155 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.770 ppm2     -0.630 CV     1
 OR { 3155}
   (( segid "    " and resid 39   and name HB1 ))
   (  segid "    " and resid 54   and name HD2%)
 ASSI { 3156}
   (( segid "    " and resid 19   and name HB1 ))
   (  segid "    " and resid 20   and name HB% )
      6.000     4.500     0.000 peak  3156 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.701 ppm2      1.459 CV     1
 ASSI { 3158}
   (( segid "    " and resid 98   and name HB  ))
   (( segid "    " and resid 98   and name HG11))
      6.000     4.500     0.000 peak  3158 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.120 ppm2      0.978 CV     1
 ASSI { 3159}
   (( segid "    " and resid 98   and name HB  ))
   (  segid "    " and resid 98   and name HG2%)
      6.000     4.500     0.000 peak  3159 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.115 ppm2      0.831 CV     1
 ASSI { 3166}
   (( segid "    " and resid 76   and name HB  ))
   (( segid "    " and resid 73   and name HB  ))
      6.000     4.500     0.000 peak  3166 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.853 ppm2      3.958 CV     1
 ASSI { 3168}
   (( segid "    " and resid 141  and name HG2 ))
   (( segid "    " and resid 141  and name HA  ))
      6.000     4.500     0.000 peak  3168 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.290 ppm2      4.292 CV     1
 ASSI { 3169}
   (( segid "    " and resid 141  and name HG2 ))
   (( segid "    " and resid 146  and name HG12))
      6.000     4.500     0.000 peak  3169 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.292 ppm2      1.003 CV     1
 ASSI { 3170}
   (( segid "    " and resid 141  and name HG2 ))
   (  segid "    " and resid 146  and name HD1%)
      6.000     4.500     0.000 peak  3170 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.290 ppm2      0.477 CV     1
 ASSI { 3171}
   (( segid "    " and resid 141  and name HG2 ))
   (( segid "    " and resid 141  and name HG1 ))
      6.000     4.500     0.000 peak  3171 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.289 ppm2      2.047 CV     1
 ASSI { 3172}
   (( segid "    " and resid 141  and name HG2 ))
   (( segid "    " and resid 141  and name HB2 ))
      6.000     4.500     0.000 peak  3172 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.287 ppm2      1.879 CV     1
 ASSI { 3173}
   (( segid "    " and resid 141  and name HG2 ))
   (( segid "    " and resid 146  and name HG11))
      6.000     4.500     0.000 peak  3173 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.287 ppm2      1.605 CV     1
 ASSI { 3174}
   (( segid "    " and resid 141  and name HG1 ))
   (( segid "    " and resid 141  and name HA  ))
      6.000     4.500     0.000 peak  3174 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.059 ppm2      4.295 CV     1
 ASSI { 3177}
   (( segid "    " and resid 141  and name HG1 ))
   (( segid "    " and resid 141  and name HB2 ))
      6.000     4.500     0.000 peak  3177 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.060 ppm2      1.866 CV     1
 ASSI { 3178}
   (( segid "    " and resid 141  and name HG1 ))
   (( segid "    " and resid 146  and name HG11))
      6.000     4.500     0.000 peak  3178 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.063 ppm2      1.596 CV     1
 ASSI { 3179}
   (( segid "    " and resid 141  and name HG1 ))
   (  segid "    " and resid 146  and name HD1%)
      6.000     4.500     0.000 peak  3179 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.063 ppm2      0.482 CV     1
 ASSI { 3184}
   (( segid "    " and resid 71   and name HB2 ))
   (( segid "    " and resid 71   and name HB1 ))
      6.000     4.500     0.000 peak  3184 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.102 ppm2      2.620 CV     1
 ASSI { 3186}
   (( segid "    " and resid 16   and name HG2 ))
   (( segid "    " and resid 16   and name HA  ))
      6.000     4.500     0.000 peak  3186 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.389 ppm2      4.104 CV     1
 ASSI { 3187}
   (( segid "    " and resid 16   and name HG2 ))
   (( segid "    " and resid 16   and name HG1 ))
      6.000     4.500     0.000 peak  3187 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.385 ppm2      2.352 CV     1
 ASSI { 3188}
   (( segid "    " and resid 16   and name HG2 ))
   (( segid "    " and resid 16   and name HB2 ))
      6.000     4.500     0.000 peak  3188 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.387 ppm2      2.172 CV     1
 ASSI { 3189}
   (( segid "    " and resid 16   and name HG1 ))
   (( segid "    " and resid 13   and name HB2 ))
      6.000     4.500     0.000 peak  3189 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.344 ppm2      4.414 CV     1
 ASSI { 3192}
   (( segid "    " and resid 16   and name HG1 ))
   (( segid "    " and resid 16   and name HB2 ))
      6.000     4.500     0.000 peak  3192 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.341 ppm2      2.156 CV     1
 ASSI { 3193}
   (( segid "    " and resid 104  and name HG2 ))
   (( segid "    " and resid 104  and name HA  ))
      6.000     4.500     0.000 peak  3193 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.606 ppm2      4.288 CV     1
 ASSI { 3194}
   (( segid "    " and resid 104  and name HG2 ))
   (( segid "    " and resid 104  and name HB2 ))
      6.000     4.500     0.000 peak  3194 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.605 ppm2      2.387 CV     1
 ASSI { 3196}
   (( segid "    " and resid 104  and name HG2 ))
   (( segid "    " and resid 113  and name HB  ))
      6.000     4.500     0.000 peak  3196 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.607 ppm2      1.928 CV     1
 ASSI { 3197}
   (( segid "    " and resid 104  and name HG2 ))
   (( segid "    " and resid 104  and name HB1 ))
      6.000     4.500     0.000 peak  3197 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.602 ppm2      2.181 CV     1
 ASSI { 3198}
   (( segid "    " and resid 104  and name HG2 ))
   (( segid "    " and resid 66   and name HG1 ))
      6.000     4.500     0.000 peak  3198 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.593 ppm2      1.756 CV     1
 ASSI { 3201}
   (( segid "    " and resid 104  and name HG2 ))
   (  segid "    " and resid 106  and name HD1%)
      6.000     4.500     0.000 peak  3201 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.601 ppm2      0.626 CV     1
 ASSI { 3203}
   (( segid "    " and resid 104  and name HG1 ))
   (( segid "    " and resid 104  and name HB2 ))
      6.000     4.500     0.000 peak  3203 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.528 ppm2      2.369 CV     1
 ASSI { 3204}
   (( segid "    " and resid 104  and name HG1 ))
   (( segid "    " and resid 113  and name HB  ))
      6.000     4.500     0.000 peak  3204 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.530 ppm2      1.906 CV     1
 ASSI { 3207}
   (( segid "    " and resid 30   and name HG2 ))
   (( segid "    " and resid 30   and name HA  ))
      6.000     4.500     0.000 peak  3207 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.184 ppm2      3.924 CV     1
 ASSI { 3208}
   (( segid "    " and resid 58   and name HB  ))
   (  segid "    " and resid 36   and name HG2%)
      6.000     4.500     0.000 peak  3208 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.984 ppm2      1.354 CV     1
 ASSI { 3209}
   (( segid "    " and resid 58   and name HB  ))
   (  segid "    " and resid 58   and name HG1%)
      6.000     4.500     0.000 peak  3209 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.985 ppm2      1.003 CV     1
 OR { 3209}
   (( segid "    " and resid 58   and name HB  ))
   (  segid "    " and resid 58   and name HG2%)
 ASSI { 3212}
   (( segid "    " and resid 77   and name HG2 ))
   (( segid "    " and resid 77   and name HA  ))
      6.000     4.500     0.000 peak  3212 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.864 ppm2      3.754 CV     1
 ASSI { 3213}
   (( segid "    " and resid 77   and name HG2 ))
   (( segid "    " and resid 77   and name HB1 ))
      6.000     4.500     0.000 peak  3213 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.871 ppm2      2.586 CV     1
 ASSI { 3214}
   (( segid "    " and resid 77   and name HG2 ))
   (( segid "    " and resid 77   and name HG1 ))
      6.000     4.500     0.000 peak  3214 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.866 ppm2      1.957 CV     1
 ASSI { 3215}
   (( segid "    " and resid 77   and name HG2 ))
   (( segid "    " and resid 77   and name HB2 ))
      6.000     4.500     0.000 peak  3215 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.873 ppm2      1.817 CV     1
 ASSI { 3218}
   (( segid "    " and resid 77   and name HG2 ))
   (  segid "    " and resid 96   and name HD2%)
      6.000     4.500     0.000 peak  3218 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.858 ppm2      1.146 CV     1
 ASSI { 3220}
   (( segid "    " and resid 80   and name HG1 ))
   (  segid "    " and resid 21   and name HB% )
      6.000     4.500     0.000 peak  3220 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.516 ppm2      1.579 CV     1
 ASSI { 3221}
   (( segid "    " and resid 80   and name HG1 ))
   (( segid "    " and resid 80   and name HB1 ))
      6.000     4.500     0.000 peak  3221 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.502 ppm2      2.865 CV     1
 ASSI { 3222}
   (( segid "    " and resid 80   and name HG1 ))
   (( segid "    " and resid 80   and name HG2 ))
      6.000     4.500     0.000 peak  3222 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.507 ppm2      2.242 CV     1
 ASSI { 3223}
   (( segid "    " and resid 80   and name HG1 ))
   (( segid "    " and resid 80   and name HB2 ))
      6.000     4.500     0.000 peak  3223 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.508 ppm2      1.793 CV     1
 ASSI { 3224}
   (( segid "    " and resid 80   and name HG1 ))
   (  segid "    " and resid 20   and name HB% )
      6.000     4.500     0.000 peak  3224 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.506 ppm2      1.455 CV     1
 ASSI { 3227}
   (( segid "    " and resid 68   and name HG2 ))
   (( segid "    " and resid 69   and name HB1 ))
      6.000     4.500     0.000 peak  3227 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.415 ppm2      2.248 CV     1
 OR { 3227}
   (( segid "    " and resid 68   and name HG1 ))
   (( segid "    " and resid 69   and name HB1 ))
 ASSI { 3230}
   (( segid "    " and resid 68   and name HG2 ))
   (( segid "    " and resid 64   and name HG  ))
      6.000     4.500     0.000 peak  3230 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.416 ppm2      0.746 CV     1
 OR { 3230}
   (( segid "    " and resid 68   and name HG1 ))
   (( segid "    " and resid 64   and name HG  ))
 ASSI { 3231}
   (( segid "    " and resid 87   and name HG2 ))
   (( segid "    " and resid 87   and name HB1 ))
      6.000     4.500     0.000 peak  3231 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.339 ppm2      2.037 CV     1
 OR { 3231}
   (( segid "    " and resid 87   and name HG1 ))
   (( segid "    " and resid 87   and name HB2 ))
 OR { 3231}
   (( segid "    " and resid 87   and name HG2 ))
   (( segid "    " and resid 87   and name HB2 ))
 OR { 3231}
   (( segid "    " and resid 87   and name HG1 ))
   (( segid "    " and resid 87   and name HB1 ))
 ASSI { 3232}
   (( segid "    " and resid 109  and name HG2 ))
   (( segid "    " and resid 109  and name HB2 ))
      6.000     4.500     0.000 peak  3232 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.281 ppm2      2.042 CV     1
 OR { 3232}
   (( segid "    " and resid 109  and name HG2 ))
   (( segid "    " and resid 109  and name HB1 ))
 ASSI { 3235}
   (( segid "    " and resid 80   and name HG2 ))
   (( segid "    " and resid 80   and name HB1 ))
      6.000     4.500     0.000 peak  3235 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.256 ppm2      2.878 CV     1
 ASSI { 3237}
   (( segid "    " and resid 30   and name HG2 ))
   (( segid "    " and resid 30   and name HB2 ))
      6.000     4.500     0.000 peak  3237 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.186 ppm2      2.414 CV     1
 ASSI { 3238}
   (( segid "    " and resid 30   and name HG2 ))
   (( segid "    " and resid 64   and name HB1 ))
      6.000     4.500     0.000 peak  3238 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.188 ppm2      1.496 CV     1
 ASSI { 3239}
   (( segid "    " and resid 30   and name HG2 ))
   (( segid "    " and resid 63   and name HB2 ))
      6.000     4.500     0.000 peak  3239 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.177 ppm2      4.071 CV     1
 OR { 3239}
   (( segid "    " and resid 30   and name HG2 ))
   (( segid "    " and resid 63   and name HB1 ))
 ASSI { 3240}
   (( segid "    " and resid 30   and name HG2 ))
   (( segid "    " and resid 64   and name HG  ))
      6.000     4.500     0.000 peak  3240 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.182 ppm2      0.755 CV     1
 ASSI { 3241}
   (( segid "    " and resid 30   and name HG1 ))
   (( segid "    " and resid 63   and name HB2 ))
      6.000     4.500     0.000 peak  3241 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.110 ppm2      4.066 CV     1
 OR { 3241}
   (( segid "    " and resid 30   and name HG1 ))
   (( segid "    " and resid 63   and name HB1 ))
 ASSI { 3243}
   (( segid "    " and resid 30   and name HG1 ))
   (( segid "    " and resid 30   and name HB2 ))
      6.000     4.500     0.000 peak  3243 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.112 ppm2      2.415 CV     1
 ASSI { 3244}
   (( segid "    " and resid 30   and name HG1 ))
   (( segid "    " and resid 64   and name HB1 ))
      6.000     4.500     0.000 peak  3244 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.117 ppm2      1.514 CV     1
 ASSI { 3245}
   (( segid "    " and resid 30   and name HG1 ))
   (( segid "    " and resid 64   and name HG  ))
      6.000     4.500     0.000 peak  3245 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.114 ppm2      0.761 CV     1
 ASSI { 3246}
   (( segid "    " and resid 77   and name HG1 ))
   (  segid "    " and resid 96   and name HD2%)
      6.000     4.500     0.000 peak  3246 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.980 ppm2      1.125 CV     1
 ASSI { 3254}
   (( segid "    " and resid 68   and name HG1 ))
   (( segid "    " and resid 67   and name HB2 ))
      6.000     4.500     0.000 peak  3254 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.415 ppm2      1.841 CV     1
 OR { 3254}
   (( segid "    " and resid 68   and name HG2 ))
   (( segid "    " and resid 67   and name HB2 ))
 OR { 3254}
   (( segid "    " and resid 68   and name HG1 ))
   (( segid "    " and resid 67   and name HB1 ))
 OR { 3254}
   (( segid "    " and resid 68   and name HG2 ))
   (( segid "    " and resid 67   and name HB1 ))
 ASSI { 3255}
   (( segid "    " and resid 68   and name HG2 ))
   (( segid "    " and resid 64   and name HB2 ))
      6.000     4.500     0.000 peak  3255 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.415 ppm2      1.746 CV     1
 OR { 3255}
   (( segid "    " and resid 68   and name HG1 ))
   (( segid "    " and resid 64   and name HB2 ))
 ASSI { 3256}
   (( segid "    " and resid 68   and name HG2 ))
   (( segid "    " and resid 69   and name HB2 ))
      6.000     4.500     0.000 peak  3256 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.413 ppm2      1.323 CV     1
 OR { 3256}
   (( segid "    " and resid 68   and name HG1 ))
   (( segid "    " and resid 69   and name HB2 ))
 ASSI { 3258}
   (( segid "    " and resid 87   and name HG1 ))
   (  segid "    " and resid 86   and name HB% )
      6.000     4.500     0.000 peak  3258 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.336 ppm2      1.451 CV     1
 OR { 3258}
   (( segid "    " and resid 87   and name HG2 ))
   (  segid "    " and resid 86   and name HB% )
 ASSI { 3260}
   (( segid "    " and resid 87   and name HG1 ))
   (( segid "    " and resid 88   and name HG1 ))
      6.000     4.500     0.000 peak  3260 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.335 ppm2      1.118 CV     1
 OR { 3260}
   (( segid "    " and resid 87   and name HG1 ))
   (( segid "    " and resid 88   and name HG2 ))
 OR { 3260}
   (( segid "    " and resid 87   and name HG2 ))
   (( segid "    " and resid 88   and name HG1 ))
 OR { 3260}
   (( segid "    " and resid 87   and name HG2 ))
   (( segid "    " and resid 88   and name HG2 ))
 ASSI { 3263}
   (( segid "    " and resid 80   and name HG2 ))
   (  segid "    " and resid 20   and name HB% )
      6.000     4.500     0.000 peak  3263 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.284 ppm2      1.478 CV     1
 ASSI { 3264}
   (( segid "    " and resid 61   and name HG1 ))
   (( segid "    " and resid 61   and name HG2 ))
      6.000     4.500     0.000 peak  3264 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.225 ppm2      1.938 CV     1
 ASSI { 3265}
   (( segid "    " and resid 61   and name HG1 ))
   (( segid "    " and resid 61   and name HB1 ))
      6.000     4.500     0.000 peak  3265 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.225 ppm2      1.771 CV     1
 ASSI { 3268}
   (( segid "    " and resid 61   and name HG1 ))
   (  segid "    " and resid 34   and name HD2%)
      6.000     4.500     0.000 peak  3268 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.228 ppm2      0.824 CV     1
 OR { 3268}
   (( segid "    " and resid 61   and name HG1 ))
   (  segid "    " and resid 34   and name HD1%)
 ASSI { 3269}
   (( segid "    " and resid 61   and name HG1 ))
   (( segid "    " and resid 61   and name HB2 ))
      6.000     4.500     0.000 peak  3269 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.222 ppm2      1.315 CV     1
 ASSI { 3270}
   (( segid "    " and resid 134  and name HG1 ))
   (( segid "    " and resid 135  and name HB2 ))
      6.000     6.000     0.000 peak  3270 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.147 ppm2      1.328 CV     1
 ASSI { 3271}
   (( segid "    " and resid 134  and name HG1 ))
   (  segid "    " and resid 132  and name HB% )
      6.000     4.500     0.000 peak  3271 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.140 ppm2      1.048 CV     1
 ASSI { 3277}
   (( segid "    " and resid 61   and name HG2 ))
   (( segid "    " and resid 61   and name HB1 ))
      6.000     4.500     0.000 peak  3277 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.937 ppm2      1.768 CV     1
 ASSI { 3283}
   (( segid "    " and resid 74   and name HG1 ))
   (( segid "    " and resid 74   and name HG2 ))
      6.000     4.500     0.000 peak  3283 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.957 ppm2      2.431 CV     1
 ASSI { 3284}
   (( segid "    " and resid 134  and name HG2 ))
   (  segid "    " and resid 132  and name HB% )
      6.000     4.500     0.000 peak  3284 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.324 ppm2      1.021 CV     1
 ASSI { 3285}
   (( segid "    " and resid 134  and name HG2 ))
   (( segid "    " and resid 134  and name HG1 ))
      6.000     4.500     0.000 peak  3285 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.312 ppm2      2.126 CV     1
 ASSI { 3286}
   (( segid "    " and resid 134  and name HG2 ))
   (( segid "    " and resid 134  and name HB2 ))
      6.000     4.500     0.000 peak  3286 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.313 ppm2      1.762 CV     1
 ASSI { 3287}
   (( segid "    " and resid 134  and name HG1 ))
   (( segid "    " and resid 134  and name HG2 ))
      6.000     4.500     0.000 peak  3287 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.122 ppm2      2.311 CV     1
 OR { 3287}
   (( segid "    " and resid 134  and name HG1 ))
   (( segid "    " and resid 134  and name HB1 ))
 ASSI { 3288}
   (( segid "    " and resid 134  and name HG1 ))
   (( segid "    " and resid 134  and name HB2 ))
      6.000     4.500     0.000 peak  3288 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.121 ppm2      1.764 CV     1
 ASSI { 3290}
   (( segid "    " and resid 74   and name HG1 ))
   (( segid "    " and resid 74   and name HA  ))
      6.000     4.500     0.000 peak  3290 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.960 ppm2      4.234 CV     1
 ASSI { 3291}
   (( segid "    " and resid 74   and name HG1 ))
   (( segid "    " and resid 74   and name HB2 ))
      6.000     4.500     0.000 peak  3291 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.961 ppm2      2.256 CV     1
 ASSI { 3292}
   (( segid "    " and resid 74   and name HG1 ))
   (( segid "    " and resid 74   and name HB1 ))
      6.000     4.500     0.000 peak  3292 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.959 ppm2      1.918 CV     1
 ASSI { 3293}
   (( segid "    " and resid 74   and name HG1 ))
   (  segid "    " and resid 70   and name HD1%)
      6.000     4.500     0.000 peak  3293 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.963 ppm2      0.722 CV     1
 ASSI { 3299}
   (( segid "    " and resid 36   and name HB  ))
   (  segid "    " and resid 36   and name HG2%)
      6.000     4.500     0.000 peak  3299 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.968 ppm2      1.357 CV     1
 ASSI { 3300}
   (( segid "    " and resid 36   and name HB  ))
   (  segid "    " and resid 36   and name HG1%)
      6.000     4.500     0.000 peak  3300 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.968 ppm2      1.118 CV     1
 ASSI { 3303}
   (( segid "    " and resid 114  and name HB1 ))
   (( segid "    " and resid 114  and name HD2 ))
      6.000     4.500     0.000 peak  3303 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.881 ppm2      3.668 CV     1
 ASSI { 3308}
   (( segid "    " and resid 114  and name HB1 ))
   (( segid "    " and resid 114  and name HG1 ))
      6.000     4.500     0.000 peak  3308 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.877 ppm2      2.471 CV     1
 ASSI { 3309}
   (( segid "    " and resid 114  and name HB1 ))
   (( segid "    " and resid 114  and name HB2 ))
      6.000     4.500     0.000 peak  3309 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.880 ppm2      2.108 CV     1
 ASSI { 3311}
   (( segid "    " and resid 48   and name HG2 ))
   (( segid "    " and resid 48   and name HB2 ))
      6.000     4.500     0.000 peak  3311 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.556 ppm2      2.040 CV     1
 ASSI { 3313}
   (( segid "    " and resid 99   and name HB2 ))
   (  segid "    " and resid 57   and name HB% )
      6.000     4.500     0.000 peak  3313 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.256 ppm2      1.369 CV     1
 ASSI { 3321}
   (( segid "    " and resid 99   and name HB1 ))
   (( segid "    " and resid 99   and name HB2 ))
      6.000     4.500     0.000 peak  3321 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.140 ppm2      2.251 CV     1
 ASSI { 3324}
   (( segid "    " and resid 99   and name HB1 ))
   (( segid "    " and resid 4    and name HB1 ))
      6.000     4.500     0.000 peak  3324 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.127 ppm2      2.729 CV     1
 ASSI { 3325}
   (( segid "    " and resid 114  and name HB2 ))
   (( segid "    " and resid 114  and name HD1 ))
      6.000     4.500     0.000 peak  3325 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.120 ppm2      4.183 CV     1
 ASSI { 3326}
   (( segid "    " and resid 114  and name HB2 ))
   (( segid "    " and resid 114  and name HD2 ))
      6.000     4.500     0.000 peak  3326 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.115 ppm2      3.687 CV     1
 ASSI { 3328}
   (( segid "    " and resid 114  and name HB2 ))
   (( segid "    " and resid 114  and name HG1 ))
      6.000     4.500     0.000 peak  3328 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.114 ppm2      2.478 CV     1
 ASSI { 3338}
   (( segid "    " and resid 79   and name HG2 ))
   (( segid "    " and resid 78   and name HB2 ))
      6.000     4.500     0.000 peak  3338 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.681 ppm2      1.797 CV     1
 ASSI { 3339}
   (( segid "    " and resid 79   and name HG2 ))
   (( segid "    " and resid 75   and name HG2 ))
      6.000     4.500     0.000 peak  3339 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.683 ppm2      1.577 CV     1
 ASSI { 3342}
   (( segid "    " and resid 79   and name HG2 ))
   (( segid "    " and resid 75   and name HB2 ))
      6.000     4.500     0.000 peak  3342 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.679 ppm2      2.322 CV     1
 ASSI { 3343}
   (( segid "    " and resid 79   and name HG2 ))
   (( segid "    " and resid 78   and name HB1 ))
      6.000     4.500     0.000 peak  3343 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.670 ppm2      1.991 CV     1
 ASSI { 3344}
   (( segid "    " and resid 79   and name HG1 ))
   (( segid "    " and resid 75   and name HG1 ))
      6.000     4.500     0.000 peak  3344 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.592 ppm2      1.701 CV     1
 ASSI { 3345}
   (( segid "    " and resid 79   and name HG1 ))
   (( segid "    " and resid 75   and name HG2 ))
      6.000     4.500     0.000 peak  3345 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.590 ppm2      1.578 CV     1
 ASSI { 3347}
   (( segid "    " and resid 79   and name HG1 ))
   (( segid "    " and resid 76   and name HA  ))
      6.000     4.500     0.000 peak  3347 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.583 ppm2      3.599 CV     1
 ASSI { 3350}
   (( segid "    " and resid 48   and name HG2 ))
   (( segid "    " and resid 48   and name HB1 ))
      6.000     4.500     0.000 peak  3350 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.573 ppm2      2.310 CV     1
 ASSI { 3354}
   (( segid "    " and resid 48   and name HG1 ))
   (( segid "    " and resid 48   and name HB2 ))
      6.000     4.500     0.000 peak  3354 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.478 ppm2      2.046 CV     1
 ASSI { 3357}
   (( segid "    " and resid 142  and name HB2 ))
   (( segid "    " and resid 142  and name HG2 ))
      6.000     4.500     0.000 peak  3357 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.275 ppm2      2.654 CV     1
 ASSI { 3361}
   (( segid "    " and resid 142  and name HB1 ))
   (( segid "    " and resid 142  and name HB2 ))
      6.000     4.500     0.000 peak  3361 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.103 ppm2      2.261 CV     1
 ASSI { 3362}
   (( segid "    " and resid 142  and name HB1 ))
   (( segid "    " and resid 135  and name HB1 ))
      6.000     4.500     0.000 peak  3362 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.102 ppm2      1.742 CV     1
 ASSI { 3365}
   (( segid "    " and resid 136  and name HB  ))
   (  segid "    " and resid 136  and name HG2%)
      6.000     4.500     0.000 peak  3365 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.951 ppm2      1.043 CV     1
 OR { 3365}
   (( segid "    " and resid 136  and name HB  ))
   (  segid "    " and resid 136  and name HG1%)
 ASSI { 3368}
   (( segid "    " and resid 79   and name HG2 ))
   (  segid "    " and resid 76   and name HG2%)
      6.000     4.500     0.000 peak  3368 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.674 ppm2      0.848 CV     1
 ASSI { 3371}
   (( segid "    " and resid 145  and name HG2 ))
   (( segid "    " and resid 148  and name HB2 ))
      6.000     4.500     0.000 peak  3371 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.490 ppm2      3.271 CV     1
 OR { 3371}
   (( segid "    " and resid 145  and name HG1 ))
   (( segid "    " and resid 148  and name HB2 ))
 ASSI { 3372}
   (( segid "    " and resid 145  and name HG1 ))
   (( segid "    " and resid 142  and name HG1 ))
      6.000     4.500     0.000 peak  3372 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.486 ppm2      2.849 CV     1
 ASSI { 3374}
   (( segid "    " and resid 145  and name HG1 ))
   (( segid "    " and resid 145  and name HB2 ))
      6.000     4.500     0.000 peak  3374 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.488 ppm2      2.306 CV     1
 OR { 3374}
   (( segid "    " and resid 145  and name HG1 ))
   (( segid "    " and resid 145  and name HB1 ))
 OR { 3374}
   (( segid "    " and resid 145  and name HG2 ))
   (( segid "    " and resid 145  and name HB2 ))
 ASSI { 3376}
   (( segid "    " and resid 145  and name HG1 ))
   (( segid "    " and resid 146  and name HG11))
      6.000     4.500     0.000 peak  3376 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.490 ppm2      1.595 CV     1
 OR { 3376}
   (( segid "    " and resid 145  and name HG2 ))
   (( segid "    " and resid 146  and name HG11))
 ASSI { 3379}
   (( segid "    " and resid 145  and name HG2 ))
   (( segid "    " and resid 146  and name HG12))
      6.000     4.500     0.000 peak  3379 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.491 ppm2      0.971 CV     1
 OR { 3379}
   (( segid "    " and resid 145  and name HG1 ))
   (( segid "    " and resid 146  and name HG12))
 ASSI { 3386}
   (( segid "    " and resid 142  and name HB2 ))
   (( segid "    " and resid 142  and name HG1 ))
      6.000     4.500     0.000 peak  3386 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.260 ppm2      2.821 CV     1
 ASSI { 3387}
   (( segid "    " and resid 142  and name HB2 ))
   (( segid "    " and resid 145  and name HG1 ))
      6.000     4.500     0.000 peak  3387 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.260 ppm2      2.483 CV     1
 OR { 3387}
   (( segid "    " and resid 142  and name HB2 ))
   (( segid "    " and resid 145  and name HG2 ))
 ASSI { 3391}
   (( segid "    " and resid 14   and name HB1 ))
   (  segid "    " and resid 54   and name HD2%)
      6.000     4.500     0.000 peak  3391 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.884 ppm2     -0.632 CV     1
 OR { 3391}
   (( segid "    " and resid 14   and name HB1 ))
   (  segid "    " and resid 54   and name HD1%)
 ASSI { 3392}
   (( segid "    " and resid 14   and name HB1 ))
   (( segid "    " and resid 14   and name HB2 ))
      6.000     4.500     0.000 peak  3392 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.871 ppm2      1.143 CV     1
 ASSI { 3402}
   (( segid "    " and resid 14   and name HB2 ))
   (( segid "    " and resid 14   and name HG1 ))
      6.000     4.500     0.000 peak  3402 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.145 ppm2      1.456 CV     1
 ASSI { 3404}
   (( segid "    " and resid 14   and name HB2 ))
   (( segid "    " and resid 14   and name HG2 ))
      6.000     4.500     0.000 peak  3404 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.135 ppm2      2.172 CV     1
 ASSI { 3407}
   (( segid "    " and resid 14   and name HB2 ))
   (( segid "    " and resid 54   and name HB2 ))
      6.000     4.500     0.000 peak  3407 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.139 ppm2      0.973 CV     1
 ASSI { 3410}
   (( segid "    " and resid 14   and name HB2 ))
   (  segid "    " and resid 54   and name HD2%)
      6.000     4.500     0.000 peak  3410 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.133 ppm2     -0.631 CV     1
 OR { 3410}
   (( segid "    " and resid 14   and name HB2 ))
   (  segid "    " and resid 54   and name HD1%)
 ASSI { 3416}
   (( segid "    " and resid 118  and name HB2 ))
   (  segid "    " and resid 125  and name HD2%)
      6.000     4.500     0.000 peak  3416 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.985 ppm2      0.475 CV     1
 OR { 3416}
   (( segid "    " and resid 118  and name HB1 ))
   (  segid "    " and resid 125  and name HD2%)
 OR { 3416}
   (( segid "    " and resid 118  and name HB2 ))
   (  segid "    " and resid 125  and name HD1%)
 OR { 3416}
   (( segid "    " and resid 118  and name HB1 ))
   (  segid "    " and resid 125  and name HD1%)
 ASSI { 3426}
   (( segid "    " and resid 14   and name HB1 ))
   (( segid "    " and resid 14   and name HG1 ))
      6.000     4.500     0.000 peak  3426 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.892 ppm2      1.476 CV     1
 ASSI { 3427}
   (( segid "    " and resid 14   and name HB1 ))
   (( segid "    " and resid 54   and name HB1 ))
      6.000     4.500     0.000 peak  3427 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.888 ppm2      0.383 CV     1
 ASSI { 3429}
   (( segid "    " and resid 99   and name HG1 ))
   (( segid "    " and resid 118  and name HB1 ))
      6.000     4.500     0.000 peak  3429 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.218 ppm2      1.997 CV     1
 OR { 3429}
   (( segid "    " and resid 99   and name HG1 ))
   (( segid "    " and resid 118  and name HB2 ))
 ASSI { 3431}
   (( segid "    " and resid 99   and name HG1 ))
   (( segid "    " and resid 99   and name HG2 ))
      6.000     4.500     0.000 peak  3431 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.198 ppm2      2.699 CV     1
 ASSI { 3433}
   (( segid "    " and resid 83   and name HB  ))
   (( segid "    " and resid 85   and name HG1 ))
      6.000     4.500     0.000 peak  3433 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.120 ppm2      1.448 CV     1
 OR { 3433}
   (( segid "    " and resid 83   and name HB  ))
   (( segid "    " and resid 85   and name HG2 ))
 ASSI { 3434}
   (( segid "    " and resid 83   and name HB  ))
   (  segid "    " and resid 83   and name HG1%)
      6.000     4.500     0.000 peak  3434 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.116 ppm2      0.987 CV     1
 OR { 3434}
   (( segid "    " and resid 83   and name HB  ))
   (  segid "    " and resid 83   and name HG2%)
 ASSI { 3440}
   (( segid "    " and resid 41   and name HB1 ))
   (( segid "    " and resid 41   and name HD1 ))
      6.000     4.500     0.000 peak  3440 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.725 ppm2      3.190 CV     1
 OR { 3440}
   (( segid "    " and resid 41   and name HB2 ))
   (( segid "    " and resid 41   and name HD1 ))
 ASSI { 3446}
   (( segid "    " and resid 51   and name HB1 ))
   (( segid "    " and resid 51   and name HD2 ))
      6.000     4.500     0.000 peak  3446 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.163 ppm2      3.866 CV     1
 ASSI { 3448}
   (( segid "    " and resid 51   and name HB1 ))
   (( segid "    " and resid 51   and name HB2 ))
      6.000     4.500     0.000 peak  3448 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.154 ppm2      2.451 CV     1
 ASSI { 3449}
   (( segid "    " and resid 51   and name HB1 ))
   (( segid "    " and resid 51   and name HG1 ))
      6.000     4.500     0.000 peak  3449 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.152 ppm2      1.873 CV     1
 ASSI { 3451}
   (( segid "    " and resid 83   and name HB  ))
   (( segid "    " and resid 11   and name HG  ))
      6.000     4.500     0.000 peak  3451 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.133 ppm2      0.833 CV     1
 ASSI { 3453}
   (( segid "    " and resid 105  and name HB  ))
   (( segid "    " and resid 104  and name HA  ))
      6.000     4.500     0.000 peak  3453 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.022 ppm2      4.268 CV     1
 ASSI { 3458}
   (( segid "    " and resid 142  and name HG1 ))
   (( segid "    " and resid 142  and name HG2 ))
      6.000     4.500     0.000 peak  3458 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.818 ppm2      2.672 CV     1
 ASSI { 3460}
   (( segid "    " and resid 142  and name HG1 ))
   (( segid "    " and resid 142  and name HB1 ))
      6.000     4.500     0.000 peak  3460 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.817 ppm2      2.101 CV     1
 ASSI { 3466}
   (( segid "    " and resid 51   and name HB2 ))
   (( segid "    " and resid 51   and name HD1 ))
      6.000     4.500     0.000 peak  3466 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.444 ppm2      3.426 CV     1
 ASSI { 3469}
   (( segid "    " and resid 29   and name HB2 ))
   (( segid "    " and resid 30   and name HA  ))
      6.000     4.500     0.000 peak  3469 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.399 ppm2      3.918 CV     1
 ASSI { 3470}
   (( segid "    " and resid 29   and name HB2 ))
   (( segid "    " and resid 29   and name HD2 ))
      6.000     4.500     0.000 peak  3470 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.397 ppm2      3.673 CV     1
 ASSI { 3471}
   (( segid "    " and resid 29   and name HB2 ))
   (( segid "    " and resid 29   and name HD1 ))
      6.000     4.500     0.000 peak  3471 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.396 ppm2      2.758 CV     1
 ASSI { 3473}
   (( segid "    " and resid 29   and name HB2 ))
   (( segid "    " and resid 29   and name HB1 ))
      6.000     4.500     0.000 peak  3473 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.397 ppm2      1.904 CV     1
 ASSI { 3474}
   (( segid "    " and resid 29   and name HB2 ))
   (( segid "    " and resid 64   and name HG  ))
      6.000     4.500     0.000 peak  3474 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.400 ppm2      0.770 CV     1
 ASSI { 3475}
   (( segid "    " and resid 29   and name HB2 ))
   (  segid "    " and resid 28   and name HG2%)
      6.000     4.500     0.000 peak  3475 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.401 ppm2      0.638 CV     1
 ASSI { 3477}
   (( segid "    " and resid 50   and name HG2 ))
   (( segid "    " and resid 48   and name HG2 ))
      6.000     4.500     0.000 peak  3477 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.389 ppm2      2.538 CV     1
 OR { 3477}
   (( segid "    " and resid 50   and name HG1 ))
   (( segid "    " and resid 48   and name HG2 ))
 ASSI { 3478}
   (( segid "    " and resid 50   and name HG1 ))
   (( segid "    " and resid 50   and name HB2 ))
      6.000     4.500     0.000 peak  3478 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.388 ppm2      2.040 CV     1
 OR { 3478}
   (( segid "    " and resid 50   and name HG1 ))
   (( segid "    " and resid 50   and name HB1 ))
 OR { 3478}
   (( segid "    " and resid 50   and name HG2 ))
   (( segid "    " and resid 50   and name HB2 ))
 OR { 3478}
   (( segid "    " and resid 50   and name HG2 ))
   (( segid "    " and resid 50   and name HB1 ))
 ASSI { 3480}
   (( segid "    " and resid 105  and name HB  ))
   (( segid "    " and resid 104  and name HB2 ))
      6.000     4.500     0.000 peak  3480 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.049 ppm2      2.381 CV     1
 ASSI { 3481}
   (( segid "    " and resid 157  and name HB2 ))
   (( segid "    " and resid 157  and name HG1 ))
      6.000     4.500     0.000 peak  3481 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.997 ppm2      1.298 CV     1
 ASSI { 3484}
   (( segid "    " and resid 29   and name HB1 ))
   (( segid "    " and resid 29   and name HD2 ))
      6.000     4.500     0.000 peak  3484 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.902 ppm2      3.672 CV     1
 ASSI { 3485}
   (( segid "    " and resid 29   and name HB1 ))
   (( segid "    " and resid 29   and name HD1 ))
      6.000     4.500     0.000 peak  3485 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.901 ppm2      2.759 CV     1
 ASSI { 3487}
   (( segid "    " and resid 29   and name HB1 ))
   (( segid "    " and resid 64   and name HG  ))
      6.000     4.500     0.000 peak  3487 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.903 ppm2      0.757 CV     1
 ASSI { 3488}
   (( segid "    " and resid 157  and name HB1 ))
   (( segid "    " and resid 157  and name HG1 ))
      6.000     4.500     0.000 peak  3488 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.838 ppm2      1.297 CV     1
 ASSI { 3489}
   (( segid "    " and resid 157  and name HB1 ))
   (( segid "    " and resid 157  and name HG2 ))
      6.000     4.500     0.000 peak  3489 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.833 ppm2      1.647 CV     1
 ASSI { 3490}
   (( segid "    " and resid 110  and name HB1 ))
   (( segid "    " and resid 111  and name HB1 ))
      6.000     4.500     0.000 peak  3490 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.420 ppm2      0.934 CV     1
 ASSI { 3495}
   (( segid "    " and resid 47   and name HB1 ))
   (( segid "    " and resid 90   and name HA1 ))
      6.000     4.500     0.000 peak  3495 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.447 ppm2      3.913 CV     1
 ASSI { 3502}
   (( segid "    " and resid 110  and name HB2 ))
   (( segid "    " and resid 110  and name HA  ))
      6.000     4.500     0.000 peak  3502 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.655 ppm2      4.240 CV     1
 ASSI { 3504}
   (( segid "    " and resid 110  and name HB2 ))
   (( segid "    " and resid 70   and name HG  ))
      6.000     4.500     0.000 peak  3504 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.654 ppm2      1.381 CV     1
 ASSI { 3506}
   (( segid "    " and resid 110  and name HB2 ))
   (( segid "    " and resid 110  and name HD2 ))
      6.000     4.500     0.000 peak  3506 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.642 ppm2      3.251 CV     1
 OR { 3506}
   (( segid "    " and resid 110  and name HB2 ))
   (( segid "    " and resid 110  and name HD1 ))
 ASSI { 3509}
   (( segid "    " and resid 154  and name HB2 ))
   (( segid "    " and resid 154  and name HG1 ))
      6.000     4.500     0.000 peak  3509 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.422 ppm2      1.196 CV     1
 OR { 3509}
   (( segid "    " and resid 154  and name HB1 ))
   (( segid "    " and resid 154  and name HG1 ))
 ASSI { 3511}
   (( segid "    " and resid 154  and name HB1 ))
   (( segid "    " and resid 154  and name HG2 ))
      6.000     4.500     0.000 peak  3511 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.423 ppm2      0.740 CV     1
 OR { 3511}
   (( segid "    " and resid 154  and name HB2 ))
   (( segid "    " and resid 154  and name HG2 ))
 ASSI { 3519}
   (( segid "    " and resid 72   and name HB1 ))
   (( segid "    " and resid 69   and name HA  ))
      6.000     4.500     0.000 peak  3519 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.452 ppm2      4.211 CV     1
 ASSI { 3521}
   (( segid "    " and resid 72   and name HB1 ))
   (( segid "    " and resid 64   and name HG  ))
      6.000     4.500     0.000 peak  3521 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.450 ppm2      0.787 CV     1
 ASSI { 3522}
   (( segid "    " and resid 72   and name HB1 ))
   (  segid "    " and resid 28   and name HG2%)
      6.000     4.500     0.000 peak  3522 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.452 ppm2      0.629 CV     1
 ASSI { 3523}
   (( segid "    " and resid 72   and name HB1 ))
   (( segid "    " and resid 72   and name HB2 ))
      6.000     4.500     0.000 peak  3523 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.449 ppm2      2.950 CV     1
 ASSI { 3524}
   (( segid "    " and resid 72   and name HB1 ))
   (  segid "    " and resid 73   and name HG2%)
      6.000     4.500     0.000 peak  3524 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.446 ppm2      1.075 CV     1
 ASSI { 3525}
   (( segid "    " and resid 72   and name HB1 ))
   (  segid "    " and resid 69   and name HD1%)
      6.000     6.000     0.000 peak  3525 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.447 ppm2      0.943 CV     1
 ASSI { 3528}
   (( segid "    " and resid 72   and name HB2 ))
   (  segid "    " and resid 28   and name HD1%)
      6.000     4.500     0.000 peak  3528 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.949 ppm2      0.795 CV     1
 ASSI { 3529}
   (( segid "    " and resid 72   and name HB2 ))
   (  segid "    " and resid 28   and name HG2%)
      6.000     4.500     0.000 peak  3529 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.953 ppm2      0.609 CV     1
 ASSI { 3533}
   (( segid "    " and resid 138  and name HB1 ))
   (( segid "    " and resid 138  and name HD1 ))
      6.000     4.500     0.000 peak  3533 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.416 ppm2      4.023 CV     1
 OR { 3533}
   (( segid "    " and resid 138  and name HB1 ))
   (( segid "    " and resid 138  and name HD2 ))
 ASSI { 3534}
   (( segid "    " and resid 138  and name HB1 ))
   (  segid "    " and resid 105  and name HG2%)
      6.000     4.500     0.000 peak  3534 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.418 ppm2      1.033 CV     1
 ASSI { 3536}
   (( segid "    " and resid 91   and name HG1 ))
   (( segid "    " and resid 91   and name HD1 ))
      6.000     4.500     0.000 peak  3536 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.087 ppm2      3.679 CV     1
 OR { 3536}
   (( segid "    " and resid 91   and name HG2 ))
   (( segid "    " and resid 91   and name HD1 ))
 ASSI { 3537}
   (( segid "    " and resid 91   and name HG2 ))
   (( segid "    " and resid 51   and name HD1 ))
      6.000     4.500     0.000 peak  3537 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.092 ppm2      3.461 CV     1
 OR { 3537}
   (( segid "    " and resid 91   and name HG1 ))
   (( segid "    " and resid 51   and name HD1 ))
 ASSI { 3538}
   (( segid "    " and resid 91   and name HG2 ))
   (( segid "    " and resid 91   and name HB2 ))
      6.000     4.500     0.000 peak  3538 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.083 ppm2      1.820 CV     1
 OR { 3538}
   (( segid "    " and resid 91   and name HG1 ))
   (( segid "    " and resid 91   and name HB1 ))
 OR { 3538}
   (( segid "    " and resid 91   and name HG1 ))
   (( segid "    " and resid 91   and name HB2 ))
 OR { 3538}
   (( segid "    " and resid 91   and name HG2 ))
   (( segid "    " and resid 91   and name HB1 ))
 ASSI { 3541}
   (( segid "    " and resid 23   and name HB2 ))
   (( segid "    " and resid 23   and name HA  ))
      6.000     4.500     0.000 peak  3541 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.966 ppm2      4.004 CV     1
 OR { 3541}
   (( segid "    " and resid 23   and name HB1 ))
   (( segid "    " and resid 23   and name HA  ))
 ASSI { 3543}
   (( segid "    " and resid 23   and name HB1 ))
   (( segid "    " and resid 23   and name HG1 ))
      6.000     4.500     0.000 peak  3543 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.966 ppm2      1.567 CV     1
 OR { 3543}
   (( segid "    " and resid 23   and name HB2 ))
   (( segid "    " and resid 23   and name HG1 ))
 ASSI { 3546}
   (( segid "    " and resid 138  and name HB2 ))
   (( segid "    " and resid 138  and name HD2 ))
      6.000     4.500     0.000 peak  3546 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.863 ppm2      4.029 CV     1
 OR { 3546}
   (( segid "    " and resid 138  and name HB2 ))
   (( segid "    " and resid 138  and name HD1 ))
 ASSI { 3550}
   (( segid "    " and resid 138  and name HB2 ))
   (  segid "    " and resid 105  and name HG2%)
      6.000     4.500     0.000 peak  3550 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.836 ppm2      1.030 CV     1
 ASSI { 3552}
   (( segid "    " and resid 91   and name HB2 ))
   (( segid "    " and resid 91   and name HD2 ))
      6.000     4.500     0.000 peak  3552 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.815 ppm2      3.482 CV     1
 OR { 3552}
   (( segid "    " and resid 91   and name HB1 ))
   (( segid "    " and resid 91   and name HD2 ))
 ASSI { 3557}
   (( segid "    " and resid 119  and name HB2 ))
   (( segid "    " and resid 146  and name HG11))
      6.000     4.500     0.000 peak  3557 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.691 ppm2      1.600 CV     1
 ASSI { 3560}
   (( segid "    " and resid 119  and name HB2 ))
   (( segid "    " and resid 119  and name HB1 ))
      6.000     4.500     0.000 peak  3560 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.662 ppm2      1.496 CV     1
 ASSI { 3567}
   (( segid "    " and resid 119  and name HB1 ))
   (  segid "    " and resid 146  and name HD1%)
      6.000     4.500     0.000 peak  3567 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.507 ppm2      0.514 CV     1
 ASSI { 3571}
   (( segid "    " and resid 115  and name HB2 ))
   (( segid "    " and resid 115  and name HB1 ))
      6.000     4.500     0.000 peak  3571 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.787 ppm2      3.005 CV     1
 ASSI { 3574}
   (( segid "    " and resid 115  and name HB1 ))
   (( segid "    " and resid 118  and name HB1 ))
      6.000     4.500     0.000 peak  3574 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.013 ppm2      1.953 CV     1
 OR { 3574}
   (( segid "    " and resid 115  and name HB1 ))
   (( segid "    " and resid 118  and name HB2 ))
 ASSI { 3576}
   (( segid "    " and resid 72   and name HB2 ))
   (( segid "    " and resid 69   and name HA  ))
      6.000     4.500     0.000 peak  3576 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.960 ppm2      4.198 CV     1
 ASSI { 3585}
   (( segid "    " and resid 2    and name HB  ))
   (( segid "    " and resid 1    and name HG21))
      6.000     4.500     0.000 peak  3585 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.763 ppm2      0.560 CV     1
 ASSI { 3588}
   (( segid "    " and resid 32   and name HB2 ))
   (( segid "    " and resid 32   and name HB1 ))
      6.000     4.500     0.000 peak  3588 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.337 ppm2      3.130 CV     1
 ASSI { 3593}
   (( segid "    " and resid 32   and name HB1 ))
   (( segid "    " and resid 61   and name HB2 ))
      6.000     4.500     0.000 peak  3593 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.139 ppm2      1.313 CV     1
 ASSI { 3597}
   (( segid "    " and resid 32   and name HB1 ))
   (( segid "    " and resid 61   and name HB1 ))
      6.000     4.500     0.000 peak  3597 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.129 ppm2      1.780 CV     1
 ASSI { 3601}
   (( segid "    " and resid 17   and name HG1 ))
   (  segid "    " and resid 12   and name HB% )
      6.000     4.500     0.000 peak  3601 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.644 ppm2      1.237 CV     1
 OR { 3601}
   (( segid "    " and resid 17   and name HG2 ))
   (  segid "    " and resid 12   and name HB% )
 ASSI { 3602}
   (( segid "    " and resid 17   and name HG1 ))
   (  segid "    " and resid 94   and name HD1%)
      6.000     4.500     0.000 peak  3602 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.647 ppm2      0.855 CV     1
 OR { 3602}
   (( segid "    " and resid 17   and name HG2 ))
   (  segid "    " and resid 94   and name HD1%)
 OR { 3602}
   (( segid "    " and resid 17   and name HG1 ))
   (  segid "    " and resid 94   and name HD2%)
 ASSI { 3603}
   (( segid "    " and resid 17   and name HG1 ))
   (( segid "    " and resid 17   and name HB2 ))
      6.000     4.500     0.000 peak  3603 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.641 ppm2      2.168 CV     1
 OR { 3603}
   (( segid "    " and resid 17   and name HG1 ))
   (( segid "    " and resid 17   and name HB1 ))
 OR { 3603}
   (( segid "    " and resid 17   and name HG2 ))
   (( segid "    " and resid 17   and name HB2 ))
 OR { 3603}
   (( segid "    " and resid 17   and name HG2 ))
   (( segid "    " and resid 17   and name HB1 ))
 ASSI { 3605}
   (( segid "    " and resid 17   and name HG2 ))
   (( segid "    " and resid 16   and name HG1 ))
      6.000     4.500     0.000 peak  3605 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.622 ppm2      2.329 CV     1
 OR { 3605}
   (( segid "    " and resid 17   and name HG1 ))
   (( segid "    " and resid 16   and name HG1 ))
 ASSI { 3609}
   (( segid "    " and resid 2    and name HB  ))
   (  segid "    " and resid 2    and name HG2%)
      6.000     4.500     0.000 peak  3609 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.765 ppm2      0.777 CV     1
 ASSI { 3610}
   (( segid "    " and resid 2    and name HB  ))
   (  segid "    " and resid 2    and name HG1%)
      6.000     4.500     0.000 peak  3610 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.765 ppm2      0.131 CV     1
 ASSI { 3614}
   (( segid "    " and resid 121  and name HB2 ))
   (( segid "    " and resid 121  and name HB1 ))
      6.000     4.500     0.000 peak  3614 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.871 ppm2     -0.659 CV     1
 ASSI { 3620}
   (( segid "    " and resid 121  and name HB1 ))
   (( segid "    " and resid 121  and name HG1 ))
      6.000     4.500     0.000 peak  3620 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1     -0.647 ppm2      1.339 CV     1
 ASSI { 3624}
   (( segid "    " and resid 104  and name HB2 ))
   (( segid "    " and resid 104  and name HB1 ))
      6.000     4.500     0.000 peak  3624 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.397 ppm2      2.182 CV     1
 ASSI { 3626}
   (( segid "    " and resid 104  and name HB2 ))
   (( segid "    " and resid 104  and name HA  ))
      6.000     4.500     0.000 peak  3626 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.387 ppm2      4.265 CV     1
 ASSI { 3629}
   (( segid "    " and resid 104  and name HB2 ))
   (  segid "    " and resid 106  and name HD1%)
      6.000     4.500     0.000 peak  3629 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.388 ppm2      0.639 CV     1
 ASSI { 3634}
   (( segid "    " and resid 104  and name HB1 ))
   (  segid "    " and resid 106  and name HD1%)
      6.000     4.500     0.000 peak  3634 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.188 ppm2      0.638 CV     1
 ASSI { 3645}
   (( segid "    " and resid 121  and name HB1 ))
   (( segid "    " and resid 121  and name HA  ))
      6.000     4.500     0.000 peak  3645 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1     -0.659 ppm2      4.127 CV     1
 ASSI { 3646}
   (( segid "    " and resid 127  and name HB2 ))
   (  segid "    " and resid 57   and name HB% )
      6.000     4.500     0.000 peak  3646 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.722 ppm2      1.371 CV     1
 ASSI { 3648}
   (( segid "    " and resid 127  and name HB2 ))
   (( segid "    " and resid 127  and name HB1 ))
      6.000     4.500     0.000 peak  3648 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.710 ppm2      1.947 CV     1
 ASSI { 3649}
   (( segid "    " and resid 127  and name HB2 ))
   (( segid "    " and resid 127  and name HG1 ))
      6.000     4.500     0.000 peak  3649 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.709 ppm2      1.564 CV     1
 ASSI { 3650}
   (( segid "    " and resid 144  and name HB1 ))
   (( segid "    " and resid 144  and name HB2 ))
      6.000     4.500     0.000 peak  3650 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.138 ppm2      1.791 CV     1
 ASSI { 3652}
   (( segid "    " and resid 144  and name HB1 ))
   (( segid "    " and resid 144  and name HG1 ))
      6.000     4.500     0.000 peak  3652 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.126 ppm2      1.611 CV     1
 ASSI { 3653}
   (( segid "    " and resid 127  and name HB1 ))
   (( segid "    " and resid 127  and name HG1 ))
      6.000     4.500     0.000 peak  3653 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.954 ppm2      1.587 CV     1
 ASSI { 3655}
   (( segid "    " and resid 127  and name HB1 ))
   (  segid "    " and resid 57   and name HB% )
      6.000     4.500     0.000 peak  3655 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.940 ppm2      1.367 CV     1
 ASSI { 3659}
   (( segid "    " and resid 144  and name HB2 ))
   (( segid "    " and resid 144  and name HD1 ))
      6.000     4.500     0.000 peak  3659 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.803 ppm2      3.271 CV     1
 ASSI { 3662}
   (( segid "    " and resid 82   and name HB2 ))
   (  segid "    " and resid 83   and name HG2%)
      6.000     4.500     0.000 peak  3662 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.602 ppm2      0.971 CV     1
 OR { 3662}
   (( segid "    " and resid 82   and name HB2 ))
   (  segid "    " and resid 83   and name HG1%)
 OR { 3662}
   (( segid "    " and resid 82   and name HB1 ))
   (  segid "    " and resid 83   and name HG2%)
 ASSI { 3665}
   (( segid "    " and resid 148  and name HB2 ))
   (( segid "    " and resid 148  and name HA  ))
      6.000     4.500     0.000 peak  3665 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.268 ppm2      4.442 CV     1
 ASSI { 3666}
   (( segid "    " and resid 148  and name HB2 ))
   (( segid "    " and resid 145  and name HA  ))
      6.000     4.500     0.000 peak  3666 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.269 ppm2      4.245 CV     1
 ASSI { 3668}
   (( segid "    " and resid 148  and name HB2 ))
   (( segid "    " and resid 145  and name HG2 ))
      6.000     4.500     0.000 peak  3668 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.271 ppm2      2.491 CV     1
 ASSI { 3670}
   (( segid "    " and resid 148  and name HB2 ))
   (( segid "    " and resid 147  and name HB1 ))
      6.000     4.500     0.000 peak  3670 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.276 ppm2      1.092 CV     1
 ASSI { 3672}
   (( segid "    " and resid 148  and name HB1 ))
   (( segid "    " and resid 144  and name HD2 ))
      6.000     4.500     0.000 peak  3672 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.202 ppm2      3.426 CV     1
 ASSI { 3673}
   (( segid "    " and resid 148  and name HB1 ))
   (( segid "    " and resid 148  and name HA  ))
      6.000     4.500     0.000 peak  3673 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.192 ppm2      4.426 CV     1
 ASSI { 3676}
   (( segid "    " and resid 148  and name HB1 ))
   (( segid "    " and resid 145  and name HA  ))
      6.000     4.500     0.000 peak  3676 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.187 ppm2      4.242 CV     1
 ASSI { 3681}
   (( segid "    " and resid 43   and name HB2 ))
   (( segid "    " and resid 43   and name HG2 ))
      6.000     4.500     0.000 peak  3681 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.450 ppm2      2.184 CV     1
 OR { 3681}
   (( segid "    " and resid 43   and name HB2 ))
   (( segid "    " and resid 43   and name HG1 ))
 ASSI { 3682}
   (( segid "    " and resid 43   and name HB2 ))
   (( segid "    " and resid 43   and name HB1 ))
      6.000     4.500     0.000 peak  3682 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.447 ppm2      2.016 CV     1
 ASSI { 3686}
   (( segid "    " and resid 50   and name HB2 ))
   (( segid "    " and resid 51   and name HD1 ))
      6.000     4.500     0.000 peak  3686 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.021 ppm2      3.437 CV     1
 OR { 3686}
   (( segid "    " and resid 50   and name HB1 ))
   (( segid "    " and resid 51   and name HD1 ))
 ASSI { 3688}
   (( segid "    " and resid 50   and name HB1 ))
   (( segid "    " and resid 44   and name HG2 ))
      6.000     4.500     0.000 peak  3688 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.019 ppm2      2.190 CV     1
 OR { 3688}
   (( segid "    " and resid 50   and name HB1 ))
   (( segid "    " and resid 44   and name HG1 ))
 OR { 3688}
   (( segid "    " and resid 50   and name HB2 ))
   (( segid "    " and resid 44   and name HG2 ))
 ASSI { 3693}
   (( segid "    " and resid 141  and name HB2 ))
   (( segid "    " and resid 137  and name HB2 ))
      6.000     4.500     0.000 peak  3693 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.864 ppm2      3.403 CV     1
 ASSI { 3695}
   (( segid "    " and resid 141  and name HB2 ))
   (  segid "    " and resid 146  and name HD1%)
      6.000     4.500     0.000 peak  3695 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.869 ppm2      0.480 CV     1
 ASSI { 3699}
   (( segid "    " and resid 141  and name HB1 ))
   (( segid "    " and resid 141  and name HG2 ))
      6.000     4.500     0.000 peak  3699 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.778 ppm2      2.278 CV     1
 ASSI { 3700}
   (( segid "    " and resid 141  and name HB1 ))
   (( segid "    " and resid 141  and name HG1 ))
      6.000     4.500     0.000 peak  3700 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.779 ppm2      2.040 CV     1
 ASSI { 3701}
   (( segid "    " and resid 141  and name HB1 ))
   (  segid "    " and resid 146  and name HD1%)
      6.000     4.500     0.000 peak  3701 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.774 ppm2      0.487 CV     1
 ASSI { 3704}
   (( segid "    " and resid 88   and name HB2 ))
   (( segid "    " and resid 88   and name HA  ))
      6.000     4.500     0.000 peak  3704 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.688 ppm2      4.077 CV     1
 ASSI { 3706}
   (( segid "    " and resid 88   and name HB2 ))
   (( segid "    " and resid 88   and name HD2 ))
      6.000     4.500     0.000 peak  3706 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.681 ppm2      2.723 CV     1
 ASSI { 3707}
   (( segid "    " and resid 88   and name HB2 ))
   (( segid "    " and resid 88   and name HG1 ))
      6.000     4.500     0.000 peak  3707 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.682 ppm2      1.109 CV     1
 OR { 3707}
   (( segid "    " and resid 88   and name HB2 ))
   (( segid "    " and resid 88   and name HG2 ))
 ASSI { 3708}
   (( segid "    " and resid 88   and name HB2 ))
   (( segid "    " and resid 88   and name HB1 ))
      6.000     4.500     0.000 peak  3708 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.677 ppm2      1.525 CV     1
 ASSI { 3711}
   (( segid "    " and resid 82   and name HB1 ))
   (( segid "    " and resid 77   and name HB1 ))
      6.000     4.500     0.000 peak  3711 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.601 ppm2      2.594 CV     1
 OR { 3711}
   (( segid "    " and resid 82   and name HB2 ))
   (( segid "    " and resid 77   and name HB1 ))
 ASSI { 3712}
   (( segid "    " and resid 82   and name HB1 ))
   (( segid "    " and resid 82   and name HD1 ))
      6.000     4.500     0.000 peak  3712 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.593 ppm2      3.353 CV     1
 OR { 3712}
   (( segid "    " and resid 82   and name HB2 ))
   (( segid "    " and resid 82   and name HD1 ))
 ASSI { 3717}
   (( segid "    " and resid 18   and name HB  ))
   (  segid "    " and resid 18   and name HG1%)
      6.000     4.500     0.000 peak  3717 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.540 ppm2      0.635 CV     1
 ASSI { 3718}
   (( segid "    " and resid 18   and name HB  ))
   (  segid "    " and resid 18   and name HG2%)
      6.000     4.500     0.000 peak  3718 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.541 ppm2      0.234 CV     1
 ASSI { 3719}
   (( segid "    " and resid 18   and name HB  ))
   (  segid "    " and resid 54   and name HD2%)
      6.000     4.500     0.000 peak  3719 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.537 ppm2     -0.634 CV     1
 ASSI { 3720}
   (( segid "    " and resid 88   and name HB1 ))
   (( segid "    " and resid 88   and name HA  ))
      6.000     4.500     0.000 peak  3720 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.529 ppm2      4.078 CV     1
 ASSI { 3724}
   (( segid "    " and resid 88   and name HB1 ))
   (( segid "    " and resid 88   and name HG2 ))
      6.000     4.500     0.000 peak  3724 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.526 ppm2      1.101 CV     1
 OR { 3724}
   (( segid "    " and resid 88   and name HB1 ))
   (( segid "    " and resid 88   and name HG1 ))
 ASSI { 3725}
   (( segid "    " and resid 88   and name HB1 ))
   (( segid "    " and resid 88   and name HD2 ))
      6.000     4.500     0.000 peak  3725 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.517 ppm2      2.725 CV     1
 ASSI { 3727}
   (( segid "    " and resid 66   and name HB2 ))
   (  segid "    " and resid 111  and name HD1%)
      6.000     4.500     0.000 peak  3727 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.293 ppm2      0.350 CV     1
 ASSI { 3730}
   (( segid "    " and resid 66   and name HB2 ))
   (( segid "    " and resid 66   and name HB1 ))
      6.000     4.500     0.000 peak  3730 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.286 ppm2      0.555 CV     1
 ASSI { 3734}
   (( segid "    " and resid 66   and name HB1 ))
   (( segid "    " and resid 66   and name HG1 ))
      6.000     4.500     0.000 peak  3734 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.557 ppm2      1.740 CV     1
 ASSI { 3738}
   (( segid "    " and resid 66   and name HB1 ))
   (  segid "    " and resid 111  and name HD1%)
      6.000     4.500     0.000 peak  3738 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.557 ppm2      0.336 CV     1
 ASSI { 3741}
   (( segid "    " and resid 118  and name HG1 ))
   (( segid "    " and resid 119  and name HA  ))
      6.000     4.500     0.000 peak  3741 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.328 ppm2      3.837 CV     1
 OR { 3741}
   (( segid "    " and resid 118  and name HG2 ))
   (( segid "    " and resid 119  and name HA  ))
 ASSI { 3743}
   (( segid "    " and resid 118  and name HG1 ))
   (( segid "    " and resid 124  and name HB1 ))
      6.000     4.500     0.000 peak  3743 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.329 ppm2      2.177 CV     1
 OR { 3743}
   (( segid "    " and resid 118  and name HG1 ))
   (( segid "    " and resid 124  and name HB2 ))
 OR { 3743}
   (( segid "    " and resid 118  and name HG2 ))
   (( segid "    " and resid 124  and name HB1 ))
 OR { 3743}
   (( segid "    " and resid 118  and name HG2 ))
   (( segid "    " and resid 124  and name HB2 ))
 ASSI { 3744}
   (( segid "    " and resid 118  and name HG1 ))
   (( segid "    " and resid 118  and name HB2 ))
      6.000     4.500     0.000 peak  3744 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.329 ppm2      1.966 CV     1
 OR { 3744}
   (( segid "    " and resid 118  and name HG2 ))
   (( segid "    " and resid 118  and name HB1 ))
 OR { 3744}
   (( segid "    " and resid 118  and name HG1 ))
   (( segid "    " and resid 118  and name HB1 ))
 OR { 3744}
   (( segid "    " and resid 118  and name HG2 ))
   (( segid "    " and resid 118  and name HB2 ))
 ASSI { 3747}
   (( segid "    " and resid 130  and name HB1 ))
   (  segid "    " and resid 131  and name HG2%)
      6.000     4.500     0.000 peak  3747 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.642 ppm2      0.846 CV     1
 ASSI { 3749}
   (( segid "    " and resid 77   and name HB1 ))
   (( segid "    " and resid 78   and name HA  ))
      6.000     4.500     0.000 peak  3749 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.581 ppm2      4.210 CV     1
 ASSI { 3751}
   (( segid "    " and resid 77   and name HB1 ))
   (( segid "    " and resid 77   and name HB2 ))
      6.000     4.500     0.000 peak  3751 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.585 ppm2      1.816 CV     1
 ASSI { 3753}
   (( segid "    " and resid 48   and name HB1 ))
   (( segid "    " and resid 48   and name HA  ))
      6.000     4.500     0.000 peak  3753 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.292 ppm2      4.315 CV     1
 ASSI { 3754}
   (( segid "    " and resid 48   and name HB1 ))
   (( segid "    " and resid 48   and name HB2 ))
      6.000     4.500     0.000 peak  3754 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.298 ppm2      2.040 CV     1
 ASSI { 3763}
   (( segid "    " and resid 50   and name HB1 ))
   (( segid "    " and resid 91   and name HD2 ))
      6.000     4.500     0.000 peak  3763 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.024 ppm2      3.486 CV     1
 OR { 3763}
   (( segid "    " and resid 50   and name HB2 ))
   (( segid "    " and resid 91   and name HD2 ))
 ASSI { 3764}
   (( segid "    " and resid 50   and name HB2 ))
   (( segid "    " and resid 51   and name HG1 ))
      6.000     4.500     0.000 peak  3764 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.010 ppm2      1.876 CV     1
 OR { 3764}
   (( segid "    " and resid 50   and name HB1 ))
   (( segid "    " and resid 51   and name HG1 ))
 ASSI { 3768}
   (( segid "    " and resid 141  and name HB2 ))
   (  segid "    " and resid 136  and name HG2%)
      6.000     4.500     0.000 peak  3768 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.877 ppm2      1.079 CV     1
 OR { 3768}
   (( segid "    " and resid 141  and name HB2 ))
   (  segid "    " and resid 136  and name HG1%)
 ASSI { 3769}
   (( segid "    " and resid 84   and name HB1 ))
   (( segid "    " and resid 84   and name HD1 ))
      6.000     4.500     0.000 peak  3769 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.868 ppm2      3.242 CV     1
 OR { 3769}
   (( segid "    " and resid 84   and name HB2 ))
   (( segid "    " and resid 84   and name HD1 ))
 OR { 3769}
   (( segid "    " and resid 84   and name HB2 ))
   (( segid "    " and resid 84   and name HD2 ))
 OR { 3769}
   (( segid "    " and resid 84   and name HB1 ))
   (( segid "    " and resid 84   and name HD2 ))
 ASSI { 3770}
   (( segid "    " and resid 84   and name HB2 ))
   (  segid "    " and resid 83   and name HG1%)
      6.000     4.500     0.000 peak  3770 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.866 ppm2      0.983 CV     1
 OR { 3770}
   (( segid "    " and resid 84   and name HB1 ))
   (  segid "    " and resid 83   and name HG1%)
 ASSI { 3772}
   (( segid "    " and resid 77   and name HB2 ))
   (( segid "    " and resid 77   and name HA  ))
      6.000     4.500     0.000 peak  3772 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.822 ppm2      3.771 CV     1
 ASSI { 3774}
   (( segid "    " and resid 141  and name HB1 ))
   (( segid "    " and resid 142  and name HG1 ))
      6.000     6.000     0.000 peak  3774 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.807 ppm2      2.852 CV     1
 ASSI { 3775}
   (( segid "    " and resid 141  and name HB1 ))
   (( segid "    " and resid 146  and name HG12))
      6.000     4.500     0.000 peak  3775 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.801 ppm2      0.987 CV     1
 ASSI { 3777}
   (( segid "    " and resid 61   and name HB1 ))
   (  segid "    " and resid 34   and name HD2%)
      6.000     4.500     0.000 peak  3777 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.761 ppm2      0.825 CV     1
 OR { 3777}
   (( segid "    " and resid 61   and name HB1 ))
   (  segid "    " and resid 34   and name HD1%)
 ASSI { 3780}
   (( segid "    " and resid 92   and name HB2 ))
   (( segid "    " and resid 92   and name HD2 ))
      6.000     4.500     0.000 peak  3780 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.656 ppm2      3.523 CV     1
 ASSI { 3783}
   (( segid "    " and resid 61   and name HB2 ))
   (( segid "    " and resid 61   and name HG2 ))
      6.000     4.500     0.000 peak  3783 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.312 ppm2      1.922 CV     1
 ASSI { 3788}
   (( segid "    " and resid 66   and name HB1 ))
   (( segid "    " and resid 66   and name HG2 ))
      6.000     4.500     0.000 peak  3788 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.556 ppm2      0.790 CV     1
 ASSI { 3791}
   (( segid "    " and resid 158  and name HB2 ))
   (( segid "    " and resid 54   and name HB2 ))
      6.000     4.500     0.000 peak  3791 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.076 ppm2      0.970 CV     1
 ASSI { 3792}
   (( segid "    " and resid 158  and name HB2 ))
   (  segid "    " and resid 54   and name HD1%)
      6.000     4.500     0.000 peak  3792 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.082 ppm2     -0.616 CV     1
 ASSI { 3798}
   (( segid "    " and resid 158  and name HB1 ))
   (( segid "    " and resid 158  and name HB2 ))
      6.000     4.500     0.000 peak  3798 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.767 ppm2      3.071 CV     1
 ASSI { 3800}
   (( segid "    " and resid 158  and name HB1 ))
   (( segid "    " and resid 54   and name HB2 ))
      6.000     4.500     0.000 peak  3800 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.767 ppm2      0.941 CV     1
 ASSI { 3801}
   (( segid "    " and resid 158  and name HB1 ))
   (  segid "    " and resid 54   and name HD1%)
      6.000     4.500     0.000 peak  3801 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.771 ppm2     -0.635 CV     1
 ASSI { 3802}
   (( segid "    " and resid 130  and name HB1 ))
   (( segid "    " and resid 130  and name HA  ))
      6.000     4.500     0.000 peak  3802 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.653 ppm2      3.890 CV     1
 ASSI { 3804}
   (( segid "    " and resid 130  and name HB1 ))
   (( segid "    " and resid 130  and name HB2 ))
      6.000     4.500     0.000 peak  3804 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.641 ppm2      2.286 CV     1
 ASSI { 3806}
   (( segid "    " and resid 68   and name HB1 ))
   (( segid "    " and resid 64   and name HG  ))
      6.000     4.500     0.000 peak  3806 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.292 ppm2      0.749 CV     1
 OR { 3806}
   (( segid "    " and resid 68   and name HB2 ))
   (( segid "    " and resid 64   and name HG  ))
 ASSI { 3808}
   (( segid "    " and resid 68   and name HB1 ))
   (( segid "    " and resid 68   and name HG2 ))
      6.000     4.500     0.000 peak  3808 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.284 ppm2      2.412 CV     1
 OR { 3808}
   (( segid "    " and resid 68   and name HB2 ))
   (( segid "    " and resid 68   and name HG1 ))
 OR { 3808}
   (( segid "    " and resid 68   and name HB2 ))
   (( segid "    " and resid 68   and name HG2 ))
 OR { 3808}
   (( segid "    " and resid 68   and name HB1 ))
   (( segid "    " and resid 68   and name HG1 ))
 ASSI { 3810}
   (( segid "    " and resid 68   and name HB1 ))
   (( segid "    " and resid 64   and name HB2 ))
      6.000     4.500     0.000 peak  3810 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.284 ppm2      1.745 CV     1
 OR { 3810}
   (( segid "    " and resid 68   and name HB2 ))
   (( segid "    " and resid 64   and name HB2 ))
 ASSI { 3811}
   (( segid "    " and resid 68   and name HB1 ))
   (  segid "    " and resid 65   and name HB% )
      6.000     4.500     0.000 peak  3811 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.283 ppm2      1.476 CV     1
 OR { 3811}
   (( segid "    " and resid 68   and name HB2 ))
   (  segid "    " and resid 65   and name HB% )
 ASSI { 3821}
   (( segid "    " and resid 87   and name HB2 ))
   (( segid "    " and resid 48   and name HB1 ))
      6.000     6.000     0.000 peak  3821 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.020 ppm2      2.313 CV     1
 OR { 3821}
   (( segid "    " and resid 87   and name HB1 ))
   (( segid "    " and resid 48   and name HB1 ))
 ASSI { 3823}
   (( segid "    " and resid 87   and name HB1 ))
   (  segid "    " and resid 86   and name HB% )
      6.000     4.500     0.000 peak  3823 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.019 ppm2      1.451 CV     1
 OR { 3823}
   (( segid "    " and resid 87   and name HB2 ))
   (  segid "    " and resid 86   and name HB% )
 ASSI { 3824}
   (( segid "    " and resid 87   and name HB2 ))
   (( segid "    " and resid 87   and name HA  ))
      6.000     4.500     0.000 peak  3824 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.011 ppm2      4.193 CV     1
 OR { 3824}
   (( segid "    " and resid 87   and name HB1 ))
   (( segid "    " and resid 87   and name HA  ))
 ASSI { 3825}
   (( segid "    " and resid 158  and name HB1 ))
   (( segid "    " and resid 54   and name HG  ))
      6.000     4.500     0.000 peak  3825 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.776 ppm2      0.253 CV     1
 ASSI { 3827}
   (( segid "    " and resid 150  and name HB1 ))
   (( segid "    " and resid 150  and name HB2 ))
      6.000     4.500     0.000 peak  3827 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.263 ppm2      0.922 CV     1
 ASSI { 3838}
   (( segid "    " and resid 75   and name HB2 ))
   (( segid "    " and resid 72   and name HA  ))
      6.000     4.500     0.000 peak  3838 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.330 ppm2      4.399 CV     1
 ASSI { 3840}
   (( segid "    " and resid 75   and name HB2 ))
   (( segid "    " and resid 75   and name HB1 ))
      6.000     4.500     0.000 peak  3840 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.341 ppm2      1.904 CV     1
 ASSI { 3841}
   (( segid "    " and resid 75   and name HB2 ))
   (( segid "    " and resid 75   and name HG2 ))
      6.000     4.500     0.000 peak  3841 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.339 ppm2      1.580 CV     1
 ASSI { 3845}
   (( segid "    " and resid 28   and name HG12))
   (  segid "    " and resid 28   and name HD1%)
      6.000     4.500     0.000 peak  3845 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.100 ppm2      0.803 CV     1
 OR { 3845}
   (( segid "    " and resid 28   and name HG11))
   (  segid "    " and resid 28   and name HD1%)
 ASSI { 3846}
   (( segid "    " and resid 28   and name HG11))
   (( segid "    " and resid 25   and name HA  ))
      6.000     4.500     0.000 peak  3846 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.084 ppm2      3.903 CV     1
 OR { 3846}
   (( segid "    " and resid 28   and name HG12))
   (( segid "    " and resid 25   and name HA  ))
 ASSI { 3847}
   (( segid "    " and resid 28   and name HG12))
   (( segid "    " and resid 28   and name HA  ))
      6.000     4.500     0.000 peak  3847 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.087 ppm2      3.784 CV     1
 OR { 3847}
   (( segid "    " and resid 28   and name HG11))
   (( segid "    " and resid 28   and name HA  ))
 ASSI { 3848}
   (( segid "    " and resid 28   and name HG11))
   (( segid "    " and resid 72   and name HB2 ))
      6.000     4.500     0.000 peak  3848 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.088 ppm2      2.939 CV     1
 OR { 3848}
   (( segid "    " and resid 28   and name HG12))
   (( segid "    " and resid 72   and name HB2 ))
 ASSI { 3851}
   (( segid "    " and resid 28   and name HG11))
   (  segid "    " and resid 28   and name HG2%)
      6.000     4.500     0.000 peak  3851 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.091 ppm2      0.624 CV     1
 OR { 3851}
   (( segid "    " and resid 28   and name HG12))
   (  segid "    " and resid 28   and name HG2%)
 ASSI { 3855}
   (( segid "    " and resid 75   and name HB1 ))
   (( segid "    " and resid 75   and name HD2 ))
      6.000     4.500     0.000 peak  3855 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.901 ppm2      3.352 CV     1
 ASSI { 3857}
   (( segid "    " and resid 75   and name HB1 ))
   (( segid "    " and resid 75   and name HG2 ))
      6.000     4.500     0.000 peak  3857 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.906 ppm2      1.585 CV     1
 ASSI { 3859}
   (( segid "    " and resid 23   and name HD1 ))
   (( segid "    " and resid 23   and name HD2 ))
      6.000     4.500     0.000 peak  3859 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.705 ppm2      1.444 CV     1
 OR { 3859}
   (( segid "    " and resid 23   and name HD1 ))
   (( segid "    " and resid 23   and name HG2 ))
 ASSI { 3864}
   (( segid "    " and resid 23   and name HD1 ))
   (( segid "    " and resid 23   and name HB2 ))
      6.000     4.500     0.000 peak  3864 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.703 ppm2      1.970 CV     1
 OR { 3864}
   (( segid "    " and resid 23   and name HD1 ))
   (( segid "    " and resid 23   and name HB1 ))
 ASSI { 3865}
   (( segid "    " and resid 23   and name HD1 ))
   (( segid "    " and resid 23   and name HG1 ))
      6.000     4.500     0.000 peak  3865 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.702 ppm2      1.548 CV     1
 ASSI { 3886}
   (( segid "    " and resid 145  and name HB2 ))
   (( segid "    " and resid 145  and name HA  ))
      6.000     4.500     0.000 peak  3886 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.327 ppm2      4.246 CV     1
 OR { 3886}
   (( segid "    " and resid 145  and name HB1 ))
   (( segid "    " and resid 145  and name HA  ))
 ASSI { 3895}
   (( segid "    " and resid 33   and name HG12))
   (( segid "    " and resid 34   and name HA  ))
      6.000     4.500     0.000 peak  3895 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.617 ppm2      4.510 CV     1
 OR { 3895}
   (( segid "    " and resid 33   and name HG11))
   (( segid "    " and resid 34   and name HA  ))
 ASSI { 3900}
   (( segid "    " and resid 33   and name HG12))
   (( segid "    " and resid 61   and name HB1 ))
      6.000     4.500     0.000 peak  3900 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.610 ppm2      1.758 CV     1
 OR { 3900}
   (( segid "    " and resid 33   and name HG11))
   (( segid "    " and resid 61   and name HB1 ))
 ASSI { 3901}
   (( segid "    " and resid 33   and name HG12))
   (( segid "    " and resid 22   and name HB2 ))
      6.000     4.500     0.000 peak  3901 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.611 ppm2      1.462 CV     1
 OR { 3901}
   (( segid "    " and resid 33   and name HG11))
   (( segid "    " and resid 22   and name HB2 ))
 ASSI { 3902}
   (( segid "    " and resid 23   and name HD2 ))
   (( segid "    " and resid 23   and name HD1 ))
      6.000     4.500     0.000 peak  3902 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.456 ppm2      1.696 CV     1
 ASSI { 3929}
   (( segid "    " and resid 145  and name HB1 ))
   (( segid "    " and resid 146  and name HG12))
      6.000     4.500     0.000 peak  3929 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.319 ppm2      1.012 CV     1
 OR { 3929}
   (( segid "    " and resid 145  and name HB2 ))
   (( segid "    " and resid 146  and name HG12))
 ASSI { 3931}
   (( segid "    " and resid 67   and name HB2 ))
   (  segid "    " and resid 65   and name HB% )
      6.000     4.500     0.000 peak  3931 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.862 ppm2      1.489 CV     1
 OR { 3931}
   (( segid "    " and resid 67   and name HB1 ))
   (  segid "    " and resid 65   and name HB% )
 ASSI { 3932}
   (( segid "    " and resid 67   and name HB1 ))
   (( segid "    " and resid 66   and name HB2 ))
      6.000     4.500     0.000 peak  3932 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.864 ppm2      1.293 CV     1
 OR { 3932}
   (( segid "    " and resid 67   and name HB2 ))
   (( segid "    " and resid 66   and name HB2 ))
 ASSI { 3933}
   (( segid "    " and resid 67   and name HB1 ))
   (  segid "    " and resid 111  and name HD1%)
      6.000     4.500     0.000 peak  3933 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.861 ppm2      0.348 CV     1
 OR { 3933}
   (( segid "    " and resid 67   and name HB2 ))
   (  segid "    " and resid 111  and name HD1%)
 ASSI { 3936}
   (( segid "    " and resid 100  and name HG  ))
   (  segid "    " and resid 135  and name HD1%)
      6.000     6.000     0.000 peak  3936 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.604 ppm2      0.117 CV     1
 ASSI { 3939}
   (( segid "    " and resid 134  and name HB1 ))
   (( segid "    " and resid 134  and name HB2 ))
      6.000     4.500     0.000 peak  3939 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.318 ppm2      1.762 CV     1
 ASSI { 3940}
   (( segid "    " and resid 134  and name HB1 ))
   (( segid "    " and resid 134  and name HA  ))
      6.000     4.500     0.000 peak  3940 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.313 ppm2      4.537 CV     1
 ASSI { 3942}
   (( segid "    " and resid 44   and name HG2 ))
   (( segid "    " and resid 44   and name HD2 ))
      6.000     4.500     0.000 peak  3942 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.193 ppm2      4.124 CV     1
 OR { 3942}
   (( segid "    " and resid 44   and name HG1 ))
   (( segid "    " and resid 44   and name HD2 ))
 ASSI { 3949}
   (( segid "    " and resid 98   and name HG12))
   (( segid "    " and resid 98   and name HG11))
      6.000     4.500     0.000 peak  3949 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.879 ppm2      0.987 CV     1
 ASSI { 3950}
   (( segid "    " and resid 98   and name HG12))
   (  segid "    " and resid 98   and name HG2%)
      6.000     4.500     0.000 peak  3950 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.880 ppm2      0.825 CV     1
 ASSI { 3951}
   (( segid "    " and resid 98   and name HG12))
   (( segid "    " and resid 98   and name HB  ))
      6.000     4.500     0.000 peak  3951 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.870 ppm2      2.139 CV     1
 ASSI { 3954}
   (( segid "    " and resid 134  and name HB2 ))
   (( segid "    " and resid 134  and name HB1 ))
      6.000     4.500     0.000 peak  3954 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.753 ppm2      2.314 CV     1
 OR { 3954}
   (( segid "    " and resid 134  and name HB2 ))
   (( segid "    " and resid 134  and name HG2 ))
 ASSI { 3956}
   (( segid "    " and resid 146  and name HG11))
   (( segid "    " and resid 146  and name HG12))
      6.000     4.500     0.000 peak  3956 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.592 ppm2      1.003 CV     1
 ASSI { 3957}
   (( segid "    " and resid 146  and name HG11))
   (  segid "    " and resid 146  and name HD1%)
      6.000     4.500     0.000 peak  3957 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.596 ppm2      0.487 CV     1
 ASSI { 3958}
   (( segid "    " and resid 5    and name HG12))
   (  segid "    " and resid 5    and name HG2%)
      6.000     4.500     0.000 peak  3958 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.583 ppm2      0.850 CV     1
 OR { 3958}
   (( segid "    " and resid 5    and name HG11))
   (  segid "    " and resid 5    and name HG2%)
 ASSI { 3969}
   (( segid "    " and resid 98   and name HG11))
   (  segid "    " and resid 98   and name HG2%)
      6.000     4.500     0.000 peak  3969 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.984 ppm2      0.819 CV     1
 ASSI { 3970}
   (( segid "    " and resid 146  and name HG12))
   (  segid "    " and resid 146  and name HG2%)
      6.000     4.500     0.000 peak  3970 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.981 ppm2      0.756 CV     1
 ASSI { 3971}
   (( segid "    " and resid 146  and name HG12))
   (  segid "    " and resid 146  and name HD1%)
      6.000     4.500     0.000 peak  3971 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.983 ppm2      0.482 CV     1
 ASSI { 3979}
   (( segid "    " and resid 79   and name HB2 ))
   (( segid "    " and resid 79   and name HB1 ))
      6.000     4.500     0.000 peak  3979 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.356 ppm2      2.304 CV     1
 ASSI { 3980}
   (( segid "    " and resid 79   and name HB1 ))
   (( segid "    " and resid 79   and name HG1 ))
      6.000     4.500     0.000 peak  3980 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.278 ppm2      2.580 CV     1
 ASSI { 3985}
   (( segid "    " and resid 127  and name HG2 ))
   (  segid "    " and resid 155  and name HD1%)
      6.000     4.500     0.000 peak  3985 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.057 ppm2      0.518 CV     1
 OR { 3985}
   (( segid "    " and resid 127  and name HG2 ))
   (  segid "    " and resid 155  and name HD2%)
 ASSI { 3986}
   (( segid "    " and resid 127  and name HG2 ))
   (( segid "    " and resid 127  and name HD1 ))
      6.000     4.500     0.000 peak  3986 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.054 ppm2      3.389 CV     1
 ASSI { 3987}
   (( segid "    " and resid 127  and name HG2 ))
   (( segid "    " and resid 126  and name HB2 ))
      6.000     4.500     0.000 peak  3987 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.049 ppm2      3.103 CV     1
 ASSI { 3988}
   (( segid "    " and resid 127  and name HG2 ))
   (( segid "    " and resid 127  and name HG1 ))
      6.000     4.500     0.000 peak  3988 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.055 ppm2      1.570 CV     1
 ASSI { 3996}
   (( segid "    " and resid 146  and name HG11))
   (( segid "    " and resid 143  and name HA  ))
      6.000     4.500     0.000 peak  3996 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.599 ppm2      4.107 CV     1
 ASSI { 4014}
   (( segid "    " and resid 79   and name HB2 ))
   (( segid "    " and resid 76   and name HA  ))
      6.000     4.500     0.000 peak  4014 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.369 ppm2      3.593 CV     1
 ASSI { 4015}
   (( segid "    " and resid 79   and name HB2 ))
   (  segid "    " and resid 76   and name HG2%)
      6.000     4.500     0.000 peak  4015 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.369 ppm2      0.833 CV     1
 ASSI { 4016}
   (( segid "    " and resid 79   and name HB2 ))
   (( segid "    " and resid 79   and name HA  ))
      6.000     4.500     0.000 peak  4016 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.366 ppm2      4.187 CV     1
 ASSI { 4017}
   (( segid "    " and resid 79   and name HB2 ))
   (( segid "    " and resid 79   and name HG1 ))
      6.000     4.500     0.000 peak  4017 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.367 ppm2      2.574 CV     1
 ASSI { 4018}
   (( segid "    " and resid 79   and name HB1 ))
   (( segid "    " and resid 76   and name HA  ))
      6.000     4.500     0.000 peak  4018 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.278 ppm2      3.600 CV     1
 ASSI { 4022}
   (( segid "    " and resid 74   and name HB2 ))
   (( segid "    " and resid 78   and name HG  ))
      6.000     4.500     0.000 peak  4022 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.273 ppm2      0.998 CV     1
 ASSI { 4028}
   (( segid "    " and resid 14   and name HG2 ))
   (( segid "    " and resid 54   and name HB2 ))
      6.000     4.500     0.000 peak  4028 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.163 ppm2      0.954 CV     1
 ASSI { 4035}
   (( segid "    " and resid 127  and name HG2 ))
   (( segid "    " and resid 123  and name HA  ))
      6.000     4.500     0.000 peak  4035 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.057 ppm2      4.339 CV     1
 ASSI { 4038}
   (( segid "    " and resid 127  and name HG2 ))
   (( segid "    " and resid 123  and name HB2 ))
      6.000     4.500     0.000 peak  4038 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.054 ppm2      2.743 CV     1
 ASSI { 4044}
   (( segid "    " and resid 29   and name HG2 ))
   (  segid "    " and resid 28   and name HG2%)
      6.000     4.500     0.000 peak  4044 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.994 ppm2      0.608 CV     1
 ASSI { 4046}
   (( segid "    " and resid 29   and name HG2 ))
   (( segid "    " and resid 29   and name HD2 ))
      6.000     4.500     0.000 peak  4046 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.989 ppm2      3.668 CV     1
 ASSI { 4048}
   (( segid "    " and resid 74   and name HB1 ))
   (( segid "    " and resid 77   and name HB1 ))
      6.000     4.500     0.000 peak  4048 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.932 ppm2      2.584 CV     1
 ASSI { 4057}
   (( segid "    " and resid 84   and name HG2 ))
   (( segid "    " and resid 84   and name HA  ))
      6.000     4.500     0.000 peak  4057 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.671 ppm2      4.264 CV     1
 OR { 4057}
   (( segid "    " and resid 84   and name HG1 ))
   (( segid "    " and resid 84   and name HA  ))
 ASSI { 4058}
   (( segid "    " and resid 84   and name HG2 ))
   (( segid "    " and resid 82   and name HG1 ))
      6.000     4.500     0.000 peak  4058 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.672 ppm2      1.801 CV     1
 OR { 4058}
   (( segid "    " and resid 84   and name HG1 ))
   (( segid "    " and resid 82   and name HG1 ))
 ASSI { 4059}
   (( segid "    " and resid 144  and name HG1 ))
   (( segid "    " and resid 144  and name HD1 ))
      6.000     4.500     0.000 peak  4059 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.654 ppm2      3.243 CV     1
 ASSI { 4060}
   (( segid "    " and resid 144  and name HG1 ))
   (( segid "    " and resid 144  and name HA  ))
      6.000     4.500     0.000 peak  4060 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.632 ppm2      3.524 CV     1
 ASSI { 4063}
   (( segid "    " and resid 41   and name HG2 ))
   (( segid "    " and resid 41   and name HG1 ))
      6.000     4.500     0.000 peak  4063 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.606 ppm2      1.321 CV     1
 ASSI { 4064}
   (( segid "    " and resid 144  and name HG2 ))
   (( segid "    " and resid 144  and name HA  ))
      6.000     4.500     0.000 peak  4064 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.579 ppm2      3.525 CV     1
 ASSI { 4072}
   (( segid "    " and resid 14   and name HG1 ))
   (( segid "    " and resid 14   and name HD1 ))
      6.000     4.500     0.000 peak  4072 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.459 ppm2      3.603 CV     1
 ASSI { 4073}
   (( segid "    " and resid 14   and name HG1 ))
   (( segid "    " and resid 14   and name HG2 ))
      6.000     4.500     0.000 peak  4073 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.455 ppm2      2.175 CV     1
 ASSI { 4081}
   (  segid "    " and resid 60   and name HD1%)
   (( segid "    " and resid 31   and name HB1 ))
      6.000     4.500     0.000 peak  4081 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.743 ppm2      3.595 CV     1
 OR { 4081}
   (  segid "    " and resid 60   and name HD1%)
   (( segid "    " and resid 31   and name HB2 ))
 ASSI { 4091}
   (  segid "    " and resid 100  and name HD2%)
   (( segid "    " and resid 135  and name HG  ))
      6.000     4.500     0.000 peak  4091 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.672 ppm2      1.242 CV     1
 ASSI { 4100}
   (( segid "    " and resid 126  and name HB2 ))
   (( segid "    " and resid 127  and name HD1 ))
      6.000     4.500     0.000 peak  4100 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.121 ppm2      3.394 CV     1
 ASSI { 4102}
   (( segid "    " and resid 126  and name HB2 ))
   (( segid "    " and resid 126  and name HB1 ))
      6.000     4.500     0.000 peak  4102 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.117 ppm2      2.962 CV     1
 ASSI { 4110}
   (( segid "    " and resid 80   and name HB1 ))
   (  segid "    " and resid 76   and name HG2%)
      6.000     4.500     0.000 peak  4110 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.880 ppm2      0.833 CV     1
 ASSI { 4114}
   (( segid "    " and resid 80   and name HB1 ))
   (( segid "    " and resid 80   and name HB2 ))
      6.000     4.500     0.000 peak  4114 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.873 ppm2      1.786 CV     1
 ASSI { 4118}
   (( segid "    " and resid 14   and name HG2 ))
   (( segid "    " and resid 14   and name HA  ))
      6.000     4.500     0.000 peak  4118 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.182 ppm2      4.328 CV     1
 ASSI { 4120}
   (( segid "    " and resid 14   and name HG2 ))
   (  segid "    " and resid 54   and name HD2%)
      6.000     4.500     0.000 peak  4120 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.178 ppm2     -0.635 CV     1
 OR { 4120}
   (( segid "    " and resid 14   and name HG2 ))
   (  segid "    " and resid 54   and name HD1%)
 ASSI { 4125}
   (( segid "    " and resid 74   and name HB1 ))
   (( segid "    " and resid 74   and name HB2 ))
      6.000     4.500     0.000 peak  4125 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.922 ppm2      2.249 CV     1
 ASSI { 4131}
   (( segid "    " and resid 80   and name HB2 ))
   (( segid "    " and resid 77   and name HA  ))
      6.000     4.500     0.000 peak  4131 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.798 ppm2      3.742 CV     1
 ASSI { 4132}
   (( segid "    " and resid 133  and name HG1 ))
   (( segid "    " and resid 133  and name HD1 ))
      6.000     4.500     0.000 peak  4132 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.800 ppm2      3.432 CV     1
 OR { 4132}
   (( segid "    " and resid 133  and name HG2 ))
   (( segid "    " and resid 133  and name HD1 ))
 ASSI { 4136}
   (( segid "    " and resid 133  and name HG1 ))
   (( segid "    " and resid 143  and name HG  ))
      6.000     4.500     0.000 peak  4136 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.804 ppm2      0.980 CV     1
 OR { 4136}
   (( segid "    " and resid 133  and name HG2 ))
   (( segid "    " and resid 143  and name HG  ))
 ASSI { 4137}
   (( segid "    " and resid 80   and name HB2 ))
   (  segid "    " and resid 76   and name HG2%)
      6.000     4.500     0.000 peak  4137 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.797 ppm2      0.832 CV     1
 ASSI { 4140}
   (( segid "    " and resid 133  and name HG1 ))
   (( segid "    " and resid 133  and name HB1 ))
      6.000     4.500     0.000 peak  4140 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.793 ppm2      1.490 CV     1
 OR { 4140}
   (( segid "    " and resid 133  and name HG2 ))
   (( segid "    " and resid 133  and name HB1 ))
 ASSI { 4141}
   (( segid "    " and resid 150  and name HG1 ))
   (( segid "    " and resid 150  and name HD2 ))
      6.000     4.500     0.000 peak  4141 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.514 ppm2      2.964 CV     1
 ASSI { 4161}
   (  segid "    " and resid 60   and name HD1%)
   (( segid "    " and resid 60   and name HB2 ))
      6.000     4.500     0.000 peak  4161 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.742 ppm2      1.847 CV     1
 ASSI { 4162}
   (  segid "    " and resid 60   and name HD1%)
   (( segid "    " and resid 60   and name HG  ))
      6.000     4.500     0.000 peak  4162 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.744 ppm2      1.292 CV     1
 ASSI { 4163}
   (  segid "    " and resid 60   and name HD1%)
   (  segid "    " and resid 69   and name HD2%)
      6.000     4.500     0.000 peak  4163 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.742 ppm2      1.006 CV     1
 ASSI { 4169}
   (( segid "    " and resid 119  and name HG1 ))
   (( segid "    " and resid 119  and name HA  ))
      6.000     4.500     0.000 peak  4169 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.539 ppm2      3.808 CV     1
 ASSI { 4171}
   (( segid "    " and resid 119  and name HG1 ))
   (( segid "    " and resid 119  and name HG2 ))
      6.000     4.500     0.000 peak  4171 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.534 ppm2      1.292 CV     1
 ASSI { 4173}
   (( segid "    " and resid 30   and name HB2 ))
   (( segid "    " and resid 64   and name HB1 ))
      6.000     4.500     0.000 peak  4173 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.424 ppm2      1.506 CV     1
 ASSI { 4177}
   (( segid "    " and resid 30   and name HB2 ))
   (( segid "    " and resid 30   and name HB1 ))
      6.000     4.500     0.000 peak  4177 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.415 ppm2      2.011 CV     1
 ASSI { 4178}
   (( segid "    " and resid 30   and name HB2 ))
   (( segid "    " and resid 64   and name HG  ))
      6.000     4.500     0.000 peak  4178 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.416 ppm2      0.762 CV     1
 ASSI { 4181}
   (( segid "    " and resid 17   and name HB2 ))
   (  segid "    " and resid 18   and name HG1%)
      6.000     4.500     0.000 peak  4181 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.154 ppm2      0.652 CV     1
 OR { 4181}
   (( segid "    " and resid 17   and name HB1 ))
   (  segid "    " and resid 18   and name HG1%)
 ASSI { 4184}
   (( segid "    " and resid 29   and name HG1 ))
   (( segid "    " and resid 72   and name HB1 ))
      6.000     4.500     0.000 peak  4184 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.065 ppm2      3.484 CV     1
 ASSI { 4185}
   (( segid "    " and resid 25   and name HG  ))
   (  segid "    " and resid 25   and name HD2%)
      6.000     4.500     0.000 peak  4185 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.982 ppm2      0.831 CV     1
 OR { 4185}
   (( segid "    " and resid 25   and name HG  ))
   (  segid "    " and resid 25   and name HD1%)
 ASSI { 4186}
   (( segid "    " and resid 22   and name HG  ))
   (  segid "    " and resid 22   and name HD1%)
      6.000     4.500     0.000 peak  4186 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.906 ppm2      1.139 CV     1
 ASSI { 4188}
   (( segid "    " and resid 150  and name HG1 ))
   (( segid "    " and resid 150  and name HA  ))
      6.000     4.500     0.000 peak  4188 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.513 ppm2      4.030 CV     1
 ASSI { 4189}
   (( segid "    " and resid 150  and name HG1 ))
   (( segid "    " and resid 150  and name HD1 ))
      6.000     4.500     0.000 peak  4189 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.514 ppm2      3.115 CV     1
 ASSI { 4196}
   (( segid "    " and resid 150  and name HG2 ))
   (( segid "    " and resid 150  and name HB1 ))
      6.000     4.500     0.000 peak  4196 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.451 ppm2      1.270 CV     1
 ASSI { 4198}
   (( segid "    " and resid 150  and name HG2 ))
   (( segid "    " and resid 150  and name HB2 ))
      6.000     4.500     0.000 peak  4198 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.435 ppm2      0.933 CV     1
 ASSI { 4200}
   (( segid "    " and resid 82   and name HG2 ))
   (( segid "    " and resid 82   and name HG1 ))
      6.000     4.500     0.000 peak  4200 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.420 ppm2      1.788 CV     1
 ASSI { 4206}
   (( segid "    " and resid 119  and name HG2 ))
   (( segid "    " and resid 124  and name HB2 ))
      6.000     4.500     0.000 peak  4206 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.318 ppm2      2.172 CV     1
 OR { 4206}
   (( segid "    " and resid 119  and name HG2 ))
   (( segid "    " and resid 124  and name HB1 ))
 ASSI { 4208}
   (( segid "    " and resid 119  and name HG2 ))
   (  segid "    " and resid 146  and name HG2%)
      6.000     4.500     0.000 peak  4208 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.301 ppm2      0.736 CV     1
 ASSI { 4231}
   (( segid "    " and resid 89   and name HB2 ))
   (( segid "    " and resid 47   and name HG1 ))
      6.000     4.500     0.000 peak  4231 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.578 ppm2      2.100 CV     1
 OR { 4231}
   (( segid "    " and resid 89   and name HB1 ))
   (( segid "    " and resid 47   and name HG1 ))
 ASSI { 4233}
   (( segid "    " and resid 25   and name HG  ))
   (( segid "    " and resid 23   and name HA  ))
      6.000     4.500     0.000 peak  4233 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.000 ppm2      4.042 CV     1
 ASSI { 4236}
   (( segid "    " and resid 75   and name HG1 ))
   (( segid "    " and resid 75   and name HA  ))
      6.000     4.500     0.000 peak  4236 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.708 ppm2      4.147 CV     1
 ASSI { 4238}
   (( segid "    " and resid 75   and name HG1 ))
   (( segid "    " and resid 75   and name HB2 ))
      6.000     4.500     0.000 peak  4238 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.701 ppm2      2.336 CV     1
 ASSI { 4239}
   (( segid "    " and resid 96   and name HG  ))
   (  segid "    " and resid 96   and name HD1%)
      6.000     4.500     0.000 peak  4239 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.630 ppm2      1.137 CV     1
 OR { 4239}
   (( segid "    " and resid 96   and name HG  ))
   (  segid "    " and resid 96   and name HD2%)
 ASSI { 4244}
   (( segid "    " and resid 75   and name HG2 ))
   (( segid "    " and resid 75   and name HD1 ))
      6.000     4.500     0.000 peak  4244 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.585 ppm2      3.171 CV     1
 ASSI { 4251}
   (( segid "    " and resid 15   and name HG  ))
   (( segid "    " and resid 15   and name HB2 ))
      6.000     4.500     0.000 peak  4251 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.521 ppm2      1.703 CV     1
 ASSI { 4252}
   (( segid "    " and resid 15   and name HG  ))
   (( segid "    " and resid 19   and name HB2 ))
      6.000     4.500     0.000 peak  4252 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.503 ppm2      2.860 CV     1
 ASSI { 4253}
   (( segid "    " and resid 15   and name HG  ))
   (( segid "    " and resid 16   and name HG2 ))
      6.000     4.500     0.000 peak  4253 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.502 ppm2      2.406 CV     1
 ASSI { 4254}
   (( segid "    " and resid 15   and name HG  ))
   (  segid "    " and resid 15   and name HD1%)
      6.000     4.500     0.000 peak  4254 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.507 ppm2      1.022 CV     1
 OR { 4254}
   (( segid "    " and resid 15   and name HG  ))
   (  segid "    " and resid 15   and name HD2%)
 ASSI { 4260}
   (( segid "    " and resid 92   and name HG2 ))
   (( segid "    " and resid 48   and name HB2 ))
      6.000     4.500     0.000 peak  4260 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.382 ppm2      2.043 CV     1
 ASSI { 4271}
   (  segid "    " and resid 96   and name HD1%)
   (( segid "    " and resid 7    and name HG11))
      6.000     4.500     0.000 peak  4271 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.148 ppm2      1.605 CV     1
 OR { 4271}
   (  segid "    " and resid 96   and name HD1%)
   (( segid "    " and resid 7    and name HG12))
 ASSI { 4272}
   (  segid "    " and resid 96   and name HD1%)
   (( segid "    " and resid 73   and name HA  ))
      6.000     4.500     0.000 peak  4272 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.141 ppm2      4.306 CV     1
 ASSI { 4273}
   (  segid "    " and resid 96   and name HD1%)
   (( segid "    " and resid 21   and name HA  ))
      6.000     4.500     0.000 peak  4273 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.138 ppm2      4.138 CV     1
 ASSI { 4274}
   (  segid "    " and resid 96   and name HD1%)
   (( segid "    " and resid 73   and name HB  ))
      6.000     4.500     0.000 peak  4274 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.143 ppm2      3.958 CV     1
 OR { 4274}
   (  segid "    " and resid 96   and name HD2%)
   (( segid "    " and resid 73   and name HB  ))
 ASSI { 4275}
   (  segid "    " and resid 96   and name HD1%)
   (( segid "    " and resid 96   and name HB1 ))
      6.000     4.500     0.000 peak  4275 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.142 ppm2      0.993 CV     1
 OR { 4275}
   (  segid "    " and resid 96   and name HD2%)
   (( segid "    " and resid 96   and name HB1 ))
 ASSI { 4277}
   (( segid "    " and resid 111  and name HG  ))
   (( segid "    " and resid 67   and name HB1 ))
      6.000     4.500     0.000 peak  4277 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.070 ppm2      1.891 CV     1
 OR { 4277}
   (( segid "    " and resid 111  and name HG  ))
   (( segid "    " and resid 67   and name HB2 ))
 ASSI { 4279}
   (( segid "    " and resid 111  and name HG  ))
   (  segid "    " and resid 111  and name HD2%)
      6.000     4.500     0.000 peak  4279 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.054 ppm2      0.363 CV     1
 ASSI { 4281}
   (  segid "    " and resid 69   and name HD2%)
   (( segid "    " and resid 69   and name HA  ))
      6.000     4.500     0.000 peak  4281 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.023 ppm2      4.193 CV     1
 ASSI { 4283}
   (  segid "    " and resid 69   and name HD2%)
   (( segid "    " and resid 69   and name HG  ))
      6.000     4.500     0.000 peak  4283 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.017 ppm2      1.616 CV     1
 ASSI { 4289}
   (( segid "    " and resid 147  and name HG  ))
   (( segid "    " and resid 125  and name HG  ))
      6.000     4.500     0.000 peak  4289 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.874 ppm2      0.310 CV     1
 ASSI { 4290}
   (( segid "    " and resid 147  and name HG  ))
   (  segid "    " and resid 147  and name HD2%)
      6.000     4.500     0.000 peak  4290 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.870 ppm2     -0.460 CV     1
 ASSI { 4296}
   (  segid "    " and resid 64   and name HD2%)
   (( segid "    " and resid 64   and name HB2 ))
      6.000     4.500     0.000 peak  4296 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.710 ppm2      1.745 CV     1
 OR { 4296}
   (  segid "    " and resid 64   and name HD1%)
   (( segid "    " and resid 64   and name HB2 ))
 ASSI { 4297}
   (  segid "    " and resid 64   and name HD1%)
   (( segid "    " and resid 64   and name HB1 ))
      6.000     4.500     0.000 peak  4297 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.708 ppm2      1.494 CV     1
 OR { 4297}
   (  segid "    " and resid 64   and name HD2%)
   (( segid "    " and resid 64   and name HB1 ))
 ASSI { 4298}
   (  segid "    " and resid 64   and name HD1%)
   (  segid "    " and resid 69   and name HD1%)
      6.000     6.000     0.000 peak  4298 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.704 ppm2      0.955 CV     1
 OR { 4298}
   (  segid "    " and resid 64   and name HD2%)
   (  segid "    " and resid 69   and name HD1%)
 ASSI { 4302}
   (  segid "    " and resid 125  and name HD2%)
   (( segid "    " and resid 124  and name HB2 ))
      6.000     4.500     0.000 peak  4302 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.496 ppm2      2.165 CV     1
 OR { 4302}
   (  segid "    " and resid 125  and name HD2%)
   (( segid "    " and resid 124  and name HB1 ))
 OR { 4302}
   (  segid "    " and resid 125  and name HD1%)
   (( segid "    " and resid 124  and name HB2 ))
 OR { 4302}
   (  segid "    " and resid 125  and name HD1%)
   (( segid "    " and resid 124  and name HB1 ))
 ASSI { 4304}
   (  segid "    " and resid 125  and name HD2%)
   (( segid "    " and resid 146  and name HG11))
      6.000     4.500     0.000 peak  4304 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.499 ppm2      1.629 CV     1
 OR { 4304}
   (  segid "    " and resid 125  and name HD1%)
   (( segid "    " and resid 146  and name HG11))
 ASSI { 4313}
   (( segid "    " and resid 125  and name HG  ))
   (  segid "    " and resid 146  and name HG2%)
      6.000     4.500     0.000 peak  4313 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.326 ppm2      0.749 CV     1
 ASSI { 4314}
   (( segid "    " and resid 125  and name HG  ))
   (  segid "    " and resid 125  and name HD1%)
      6.000     4.500     0.000 peak  4314 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.326 ppm2      0.475 CV     1
 OR { 4314}
   (( segid "    " and resid 125  and name HG  ))
   (  segid "    " and resid 125  and name HD2%)
 ASSI { 4317}
   (( segid "    " and resid 125  and name HG  ))
   (  segid "    " and resid 147  and name HD2%)
      6.000     6.000     0.000 peak  4317 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.327 ppm2     -0.462 CV     1
 ASSI { 4322}
   (( segid "    " and resid 114  and name HG1 ))
   (( segid "    " and resid 138  and name HD1 ))
      6.000     4.500     0.000 peak  4322 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.476 ppm2      4.028 CV     1
 OR { 4322}
   (( segid "    " and resid 114  and name HG1 ))
   (( segid "    " and resid 138  and name HD2 ))
 ASSI { 4326}
   (( segid "    " and resid 114  and name HG1 ))
   (( segid "    " and resid 114  and name HG2 ))
      6.000     4.500     0.000 peak  4326 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.478 ppm2      1.995 CV     1
 ASSI { 4327}
   (( segid "    " and resid 114  and name HG1 ))
   (  segid "    " and resid 100  and name HD1%)
      6.000     4.500     0.000 peak  4327 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.478 ppm2      1.064 CV     1
 ASSI { 4329}
   (( segid "    " and resid 114  and name HG2 ))
   (( segid "    " and resid 114  and name HB1 ))
      6.000     4.500     0.000 peak  4329 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.999 ppm2      2.860 CV     1
 ASSI { 4331}
   (( segid "    " and resid 66   and name HG1 ))
   (( segid "    " and resid 66   and name HB2 ))
      6.000     4.500     0.000 peak  4331 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.746 ppm2      1.276 CV     1
 ASSI { 4335}
   (( segid "    " and resid 66   and name HG1 ))
   (( segid "    " and resid 66   and name HG2 ))
      6.000     4.500     0.000 peak  4335 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.742 ppm2      0.787 CV     1
 ASSI { 4351}
   (  segid "    " and resid 22   and name HD1%)
   (  segid "    " and resid 36   and name HG2%)
      6.000     4.500     0.000 peak  4351 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.138 ppm2      1.394 CV     1
 ASSI { 4362}
   (( segid "    " and resid 147  and name HG  ))
   (  segid "    " and resid 147  and name HD1%)
      6.000     4.500     0.000 peak  4362 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.874 ppm2     -0.563 CV     1
 ASSI { 4373}
   (  segid "    " and resid 34   and name HD2%)
   (  segid "    " and resid 2    and name HG1%)
      6.000     4.500     0.000 peak  4373 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.814 ppm2      0.130 CV     1
 OR { 4373}
   (  segid "    " and resid 34   and name HD1%)
   (  segid "    " and resid 2    and name HG1%)
 ASSI { 4380}
   (  segid "    " and resid 128  and name HD1%)
   (( segid "    " and resid 127  and name HB2 ))
      6.000     4.500     0.000 peak  4380 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.589 ppm2      2.719 CV     1
 OR { 4380}
   (  segid "    " and resid 128  and name HD2%)
   (( segid "    " and resid 127  and name HB2 ))
 ASSI { 4381}
   (  segid "    " and resid 128  and name HD1%)
   (( segid "    " and resid 100  and name HB1 ))
      6.000     4.500     0.000 peak  4381 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.590 ppm2      1.998 CV     1
 OR { 4381}
   (  segid "    " and resid 128  and name HD2%)
   (( segid "    " and resid 100  and name HB1 ))
 ASSI { 4384}
   (  segid "    " and resid 128  and name HD2%)
   (( segid "    " and resid 143  and name HG  ))
      6.000     4.500     0.000 peak  4384 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.589 ppm2      0.967 CV     1
 OR { 4384}
   (  segid "    " and resid 128  and name HD1%)
   (( segid "    " and resid 143  and name HG  ))
 ASSI { 4385}
   (  segid "    " and resid 128  and name HD2%)
   (  segid "    " and resid 131  and name HG2%)
      6.000     4.500     0.000 peak  4385 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.589 ppm2      0.841 CV     1
 OR { 4385}
   (  segid "    " and resid 128  and name HD1%)
   (  segid "    " and resid 131  and name HG2%)
 ASSI { 4387}
   (  segid "    " and resid 128  and name HD1%)
   (( segid "    " and resid 128  and name HG  ))
      6.000     4.500     0.000 peak  4387 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.591 ppm2      0.322 CV     1
 OR { 4387}
   (  segid "    " and resid 128  and name HD2%)
   (( segid "    " and resid 128  and name HG  ))
 ASSI { 4388}
   (  segid "    " and resid 128  and name HD2%)
   (  segid "    " and resid 135  and name HD1%)
      6.000     6.000     0.000 peak  4388 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.591 ppm2      0.115 CV     1
 OR { 4388}
   (  segid "    " and resid 128  and name HD1%)
   (  segid "    " and resid 135  and name HD1%)
 ASSI { 4392}
   (  segid "    " and resid 155  and name HD1%)
   (( segid "    " and resid 126  and name HB2 ))
      6.000     4.500     0.000 peak  4392 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.501 ppm2      3.113 CV     1
 OR { 4392}
   (  segid "    " and resid 155  and name HD2%)
   (( segid "    " and resid 126  and name HB2 ))
 ASSI { 4395}
   (  segid "    " and resid 155  and name HD1%)
   (( segid "    " and resid 155  and name HB1 ))
      6.000     4.500     0.000 peak  4395 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.501 ppm2      1.424 CV     1
 OR { 4395}
   (  segid "    " and resid 155  and name HD1%)
   (( segid "    " and resid 155  and name HB2 ))
 OR { 4395}
   (  segid "    " and resid 155  and name HD2%)
   (( segid "    " and resid 155  and name HB1 ))
 OR { 4395}
   (  segid "    " and resid 155  and name HD2%)
   (( segid "    " and resid 155  and name HB2 ))
 ASSI { 4407}
   (( segid "    " and resid 157  and name HG1 ))
   (( segid "    " and resid 157  and name HE1 ))
      6.000     4.500     0.000 peak  4407 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.303 ppm2      2.983 CV     1
 OR { 4407}
   (( segid "    " and resid 157  and name HG1 ))
   (( segid "    " and resid 157  and name HE2 ))
 ASSI { 4409}
   (( segid "    " and resid 157  and name HG1 ))
   (( segid "    " and resid 157  and name HG2 ))
      6.000     4.500     0.000 peak  4409 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.297 ppm2      1.644 CV     1
 ASSI { 4417}
   (( segid "    " and resid 125  and name HG  ))
   (( segid "    " and resid 118  and name HG1 ))
      6.000     4.500     0.000 peak  4417 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.324 ppm2      3.359 CV     1
 OR { 4417}
   (( segid "    " and resid 125  and name HG  ))
   (( segid "    " and resid 118  and name HG2 ))
 ASSI { 4422}
   (  segid "    " and resid 135  and name HD2%)
   (( segid "    " and resid 135  and name HA  ))
      6.000     4.500     0.000 peak  4422 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.379 ppm2      3.851 CV     1
 ASSI { 4423}
   (  segid "    " and resid 135  and name HD2%)
   (( segid "    " and resid 135  and name HG  ))
      6.000     4.500     0.000 peak  4423 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.380 ppm2      1.274 CV     1
 ASSI { 4426}
   (  segid "    " and resid 135  and name HD2%)
   (  segid "    " and resid 135  and name HD1%)
      6.000     4.500     0.000 peak  4426 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.380 ppm2      0.116 CV     1
 ASSI { 4427}
   (  segid "    " and resid 111  and name HD1%)
   (( segid "    " and resid 111  and name HA  ))
      6.000     4.500     0.000 peak  4427 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.327 ppm2      3.914 CV     1
 ASSI { 4428}
   (  segid "    " and resid 111  and name HD1%)
   (( segid "    " and resid 98   and name HB  ))
      6.000     4.500     0.000 peak  4428 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.326 ppm2      2.139 CV     1
 ASSI { 4434}
   (  segid "    " and resid 135  and name HD1%)
   (( segid "    " and resid 143  and name HB1 ))
      6.000     6.000     0.000 peak  4434 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.118 ppm2      2.203 CV     1
 ASSI { 4441}
   (  segid "    " and resid 135  and name HD1%)
   (  segid "    " and resid 100  and name HD2%)
      6.000     4.500     0.000 peak  4441 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.112 ppm2      0.666 CV     1
 ASSI { 4452}
   (  segid "    " and resid 135  and name HD2%)
   (( segid "    " and resid 136  and name HB  ))
      6.000     4.500     0.000 peak  4452 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.379 ppm2      1.987 CV     1
 ASSI { 4458}
   (( segid "    " and resid 131  and name HG11))
   (  segid "    " and resid 131  and name HD1%)
      6.000     4.500     0.000 peak  4458 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.658 ppm2      0.866 CV     1
 OR { 4458}
   (( segid "    " and resid 131  and name HG12))
   (  segid "    " and resid 131  and name HD1%)
 OR { 4458}
   (( segid "    " and resid 131  and name HG12))
   (  segid "    " and resid 131  and name HG2%)
 ASSI { 4459}
   (( segid "    " and resid 131  and name HG12))
   (( segid "    " and resid 128  and name HG  ))
      6.000     4.500     0.000 peak  4459 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.662 ppm2      0.303 CV     1
 OR { 4459}
   (( segid "    " and resid 131  and name HG11))
   (( segid "    " and resid 128  and name HG  ))
 ASSI { 4460}
   (( segid "    " and resid 131  and name HG12))
   (( segid "    " and resid 128  and name HA  ))
      6.000     4.500     0.000 peak  4460 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.646 ppm2      3.866 CV     1
 OR { 4460}
   (( segid "    " and resid 131  and name HG11))
   (( segid "    " and resid 128  and name HA  ))
 ASSI { 4461}
   (( segid "    " and resid 23   and name HG1 ))
   (( segid "    " and resid 20   and name HA  ))
      6.000     4.500     0.000 peak  4461 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.564 ppm2      4.164 CV     1
 ASSI { 4464}
   (( segid "    " and resid 23   and name HG1 ))
   (( segid "    " and resid 23   and name HG2 ))
      6.000     4.500     0.000 peak  4464 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.566 ppm2      1.457 CV     1
 OR { 4464}
   (( segid "    " and resid 23   and name HG1 ))
   (( segid "    " and resid 23   and name HD2 ))
 ASSI { 4487}
   (( segid "    " and resid 154  and name HG1 ))
   (( segid "    " and resid 154  and name HG2 ))
      6.000     4.500     0.000 peak  4487 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.195 ppm2      0.738 CV     1
 ASSI { 4493}
   (( segid "    " and resid 143  and name HG  ))
   (( segid "    " and resid 125  and name HA  ))
      6.000     4.500     0.000 peak  4493 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.967 ppm2      3.835 CV     1
 ASSI { 4494}
   (( segid "    " and resid 143  and name HG  ))
   (( segid "    " and resid 129  and name HB1 ))
      6.000     4.500     0.000 peak  4494 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.968 ppm2      2.903 CV     1
 ASSI { 4495}
   (( segid "    " and resid 143  and name HG  ))
   (( segid "    " and resid 133  and name HB1 ))
      6.000     4.500     0.000 peak  4495 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.966 ppm2      1.526 CV     1
 ASSI { 4496}
   (( segid "    " and resid 143  and name HG  ))
   (( segid "    " and resid 143  and name HB2 ))
      6.000     4.500     0.000 peak  4496 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.968 ppm2      1.345 CV     1
 ASSI { 4497}
   (( segid "    " and resid 143  and name HG  ))
   (  segid "    " and resid 125  and name HD2%)
      6.000     4.500     0.000 peak  4497 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.966 ppm2      0.476 CV     1
 OR { 4497}
   (( segid "    " and resid 143  and name HG  ))
   (  segid "    " and resid 125  and name HD1%)
 ASSI { 4501}
   (( segid "    " and resid 143  and name HG  ))
   (  segid "    " and resid 147  and name HD1%)
      6.000     6.000     0.000 peak  4501 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.961 ppm2     -0.553 CV     1
 ASSI { 4513}
   (  segid "    " and resid 60   and name HD2%)
   (( segid "    " and resid 25   and name HG  ))
      6.000     4.500     0.000 peak  4513 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.682 ppm2      1.980 CV     1
 ASSI { 4518}
   (  segid "    " and resid 54   and name HD1%)
   (( segid "    " and resid 158  and name HB2 ))
      6.000     4.500     0.000 peak  4518 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1     -0.631 ppm2      3.075 CV     1
 OR { 4518}
   (  segid "    " and resid 54   and name HD2%)
   (( segid "    " and resid 158  and name HB2 ))
 ASSI { 4527}
   (  segid "    " and resid 54   and name HD2%)
   (  segid "    " and resid 18   and name HG1%)
      6.000     4.500     0.000 peak  4527 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1     -0.632 ppm2      0.638 CV     1
 ASSI { 4542}
   (( segid "    " and resid 131  and name HG11))
   (( segid "    " and resid 100  and name HB1 ))
      6.000     4.500     0.000 peak  4542 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.644 ppm2      2.000 CV     1
 OR { 4542}
   (( segid "    " and resid 131  and name HG12))
   (( segid "    " and resid 100  and name HB1 ))
 ASSI { 4547}
   (( segid "    " and resid 23   and name HG2 ))
   (( segid "    " and resid 20   and name HA  ))
      6.000     4.500     0.000 peak  4547 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.455 ppm2      4.169 CV     1
 ASSI { 4548}
   (( segid "    " and resid 23   and name HG2 ))
   (( segid "    " and resid 23   and name HA  ))
      6.000     4.500     0.000 peak  4548 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.454 ppm2      4.005 CV     1
 ASSI { 4550}
   (( segid "    " and resid 23   and name HG2 ))
   (( segid "    " and resid 23   and name HD1 ))
      6.000     4.500     0.000 peak  4550 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.445 ppm2      1.702 CV     1
 ASSI { 4551}
   (( segid "    " and resid 23   and name HG2 ))
   (( segid "    " and resid 23   and name HG1 ))
      6.000     4.500     0.000 peak  4551 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.454 ppm2      1.558 CV     1
 ASSI { 4552}
   (( segid "    " and resid 85   and name HG2 ))
   (( segid "    " and resid 85   and name HE1 ))
      6.000     4.500     0.000 peak  4552 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.437 ppm2      2.998 CV     1
 OR { 4552}
   (( segid "    " and resid 85   and name HG2 ))
   (( segid "    " and resid 85   and name HE2 ))
 OR { 4552}
   (( segid "    " and resid 85   and name HG1 ))
   (( segid "    " and resid 85   and name HE1 ))
 OR { 4552}
   (( segid "    " and resid 85   and name HG1 ))
   (( segid "    " and resid 85   and name HE2 ))
 ASSI { 4564}
   (  segid "    " and resid 100  and name HD1%)
   (( segid "    " and resid 118  and name HG1 ))
      6.000     4.500     0.000 peak  4564 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.082 ppm2      3.344 CV     1
 OR { 4564}
   (  segid "    " and resid 100  and name HD1%)
   (( segid "    " and resid 118  and name HG2 ))
 ASSI { 4568}
   (  segid "    " and resid 100  and name HD1%)
   (( segid "    " and resid 133  and name HA  ))
      6.000     4.500     0.000 peak  4568 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.076 ppm2      4.150 CV     1
 ASSI { 4570}
   (  segid "    " and resid 100  and name HD1%)
   (( segid "    " and resid 114  and name HB1 ))
      6.000     6.000     0.000 peak  4570 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.075 ppm2      2.870 CV     1
 ASSI { 4576}
   (  segid "    " and resid 100  and name HD1%)
   (( segid "    " and resid 100  and name HG  ))
      6.000     4.500     0.000 peak  4576 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.076 ppm2      1.613 CV     1
 ASSI { 4578}
   (  segid "    " and resid 100  and name HD1%)
   (( segid "    " and resid 128  and name HB1 ))
      6.000     4.500     0.000 peak  4578 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.075 ppm2      1.222 CV     1
 ASSI { 4580}
   (  segid "    " and resid 100  and name HD1%)
   (  segid "    " and resid 100  and name HD2%)
      6.000     4.500     0.000 peak  4580 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.076 ppm2      0.668 CV     1
 ASSI { 4582}
   (  segid "    " and resid 100  and name HD1%)
   (  segid "    " and resid 135  and name HD2%)
      6.000     4.500     0.000 peak  4582 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.075 ppm2      0.368 CV     1
 ASSI { 4583}
   (  segid "    " and resid 100  and name HD1%)
   (  segid "    " and resid 135  and name HD1%)
      6.000     4.500     0.000 peak  4583 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.075 ppm2      0.119 CV     1
 ASSI { 4593}
   (( segid "    " and resid 121  and name HG2 ))
   (( segid "    " and resid 121  and name HB1 ))
      6.000     4.500     0.000 peak  4593 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.733 ppm2     -0.637 CV     1
 ASSI { 4594}
   (  segid "    " and resid 147  and name HD2%)
   (( segid "    " and resid 147  and name HA  ))
      6.000     4.500     0.000 peak  4594 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1     -0.454 ppm2      3.663 CV     1
 ASSI { 4595}
   (  segid "    " and resid 147  and name HD2%)
   (  segid "    " and resid 125  and name HD1%)
      6.000     4.500     0.000 peak  4595 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1     -0.454 ppm2      0.473 CV     1
 OR { 4595}
   (  segid "    " and resid 147  and name HD2%)
   (  segid "    " and resid 125  and name HD2%)
 ASSI { 4600}
   (  segid "    " and resid 147  and name HD2%)
   (( segid "    " and resid 122  and name HA2 ))
      6.000     4.500     0.000 peak  4600 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1     -0.459 ppm2      2.900 CV     1
 ASSI { 4601}
   (  segid "    " and resid 147  and name HD2%)
   (( segid "    " and resid 150  and name HG1 ))
      6.000     4.500     0.000 peak  4601 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1     -0.462 ppm2      1.513 CV     1
 ASSI { 4602}
   (  segid "    " and resid 147  and name HD2%)
   (  segid "    " and resid 151  and name HB% )
      6.000     4.500     0.000 peak  4602 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1     -0.462 ppm2      1.232 CV     1
 ASSI { 4604}
   (  segid "    " and resid 147  and name HD2%)
   (( segid "    " and resid 125  and name HB1 ))
      6.000     4.500     0.000 peak  4604 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1     -0.461 ppm2      0.961 CV     1
 ASSI { 4605}
   (  segid "    " and resid 147  and name HD2%)
   (( segid "    " and resid 147  and name HB2 ))
      6.000     4.500     0.000 peak  4605 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1     -0.459 ppm2      0.651 CV     1
 ASSI { 4606}
   (  segid "    " and resid 25   and name HD2%)
   (( segid "    " and resid 25   and name HA  ))
      6.000     4.500     0.000 peak  4606 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.850 ppm2      3.903 CV     1
 OR { 4606}
   (  segid "    " and resid 25   and name HD1%)
   (( segid "    " and resid 25   and name HA  ))
 ASSI { 4619}
   (  segid "    " and resid 22   and name HD2%)
   (( segid "    " and resid 22   and name HB2 ))
      6.000     4.500     0.000 peak  4619 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.902 ppm2      1.487 CV     1
 ASSI { 4625}
   (  segid "    " and resid 25   and name HD1%)
   (( segid "    " and resid 22   and name HA  ))
      6.000     4.500     0.000 peak  4625 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.866 ppm2      3.972 CV     1
 ASSI { 4626}
   (  segid "    " and resid 25   and name HD1%)
   (( segid "    " and resid 22   and name HB1 ))
      6.000     4.500     0.000 peak  4626 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.863 ppm2      2.046 CV     1
 ASSI { 4630}
   (  segid "    " and resid 25   and name HD2%)
   (  segid "    " and resid 96   and name HD1%)
      6.000     4.500     0.000 peak  4630 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.866 ppm2      1.131 CV     1
 OR { 4630}
   (  segid "    " and resid 25   and name HD1%)
   (  segid "    " and resid 96   and name HD1%)
 ASSI { 4633}
   (  segid "    " and resid 111  and name HD2%)
   (( segid "    " and resid 67   and name HA  ))
      6.000     4.500     0.000 peak  4633 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.383 ppm2      3.662 CV     1
 ASSI { 4636}
   (  segid "    " and resid 111  and name HD2%)
   (( segid "    " and resid 111  and name HB2 ))
      6.000     4.500     0.000 peak  4636 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.382 ppm2      1.336 CV     1
 ASSI { 4637}
   (  segid "    " and resid 111  and name HD2%)
   (( segid "    " and resid 70   and name HB1 ))
      6.000     4.500     0.000 peak  4637 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.382 ppm2      1.020 CV     1
 ASSI { 4644}
   (  segid "    " and resid 42   and name HG2%)
   (  segid "    " and resid 155  and name HD1%)
      6.000     4.500     0.000 peak  4644 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.448 ppm2      0.510 CV     1
 OR { 4644}
   (  segid "    " and resid 42   and name HG2%)
   (  segid "    " and resid 155  and name HD2%)
 ASSI { 4649}
   (  segid "    " and resid 56   and name HB% )
   (( segid "    " and resid 127  and name HB1 ))
      6.000     4.500     0.000 peak  4649 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.431 ppm2      1.921 CV     1
 ASSI { 4652}
   (  segid "    " and resid 56   and name HB% )
   (( segid "    " and resid 37   and name HB1 ))
      6.000     4.500     0.000 peak  4652 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.423 ppm2      4.105 CV     1
 ASSI { 4654}
   (  segid "    " and resid 56   and name HB% )
   (( segid "    " and resid 127  and name HG1 ))
      6.000     4.500     0.000 peak  4654 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.425 ppm2      1.573 CV     1
 ASSI { 4657}
   (  segid "    " and resid 56   and name HB% )
   (( segid "    " and resid 54   and name HG  ))
      6.000     4.500     0.000 peak  4657 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.421 ppm2      0.237 CV     1
 ASSI { 4659}
   (  segid "    " and resid 56   and name HB% )
   (  segid "    " and resid 54   and name HD1%)
      6.000     4.500     0.000 peak  4659 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.419 ppm2     -0.626 CV     1
 OR { 4659}
   (  segid "    " and resid 56   and name HB% )
   (  segid "    " and resid 54   and name HD2%)
 ASSI { 4660}
   (  segid "    " and resid 93   and name HG2%)
   (( segid "    " and resid 82   and name HA  ))
      6.000     4.500     0.000 peak  4660 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.216 ppm2      4.371 CV     1
 ASSI { 4663}
   (  segid "    " and resid 93   and name HG2%)
   (( segid "    " and resid 17   and name HG1 ))
      6.000     4.500     0.000 peak  4663 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.219 ppm2      2.646 CV     1
 ASSI { 4664}
   (  segid "    " and resid 93   and name HG2%)
   (( segid "    " and resid 83   and name HB  ))
      6.000     4.500     0.000 peak  4664 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.221 ppm2      2.121 CV     1
 ASSI { 4665}
   (  segid "    " and resid 93   and name HG2%)
   (( segid "    " and resid 82   and name HB2 ))
      6.000     4.500     0.000 peak  4665 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.217 ppm2      1.582 CV     1
 OR { 4665}
   (  segid "    " and resid 93   and name HG2%)
   (( segid "    " and resid 82   and name HB1 ))
 ASSI { 4680}
   (  segid "    " and resid 18   and name HG1%)
   (  segid "    " and resid 22   and name HD2%)
      6.000     6.000     0.000 peak  4680 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.640 ppm2      0.894 CV     1
 ASSI { 4683}
   (  segid "    " and resid 111  and name HD2%)
   (( segid "    " and resid 67   and name HB1 ))
      6.000     4.500     0.000 peak  4683 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.381 ppm2      1.866 CV     1
 OR { 4683}
   (  segid "    " and resid 111  and name HD2%)
   (( segid "    " and resid 67   and name HB2 ))
 ASSI { 4684}
   (  segid "    " and resid 111  and name HD2%)
   (( segid "    " and resid 111  and name HB1 ))
      6.000     4.500     0.000 peak  4684 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.381 ppm2      0.893 CV     1
 ASSI { 4709}
   (  segid "    " and resid 18   and name HG1%)
   (( segid "    " and resid 22   and name HG  ))
      6.000     4.500     0.000 peak  4709 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.641 ppm2      1.911 CV     1
 ASSI { 4712}
   (  segid "    " and resid 18   and name HG1%)
   (  segid "    " and resid 7    and name HG2%)
      6.000     4.500     0.000 peak  4712 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.639 ppm2      0.793 CV     1
 ASSI { 4715}
   (  segid "    " and resid 18   and name HG1%)
   (( segid "    " and resid 54   and name HB1 ))
      6.000     4.500     0.000 peak  4715 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.638 ppm2      0.382 CV     1
 ASSI { 4716}
   (  segid "    " and resid 18   and name HG1%)
   (  segid "    " and resid 18   and name HG2%)
      6.000     4.500     0.000 peak  4716 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.639 ppm2      0.238 CV     1
 ASSI { 4720}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 45   and name HA  ))
      6.000     4.500     0.000 peak  4720 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.054 ppm2      4.588 CV     1
 ASSI { 4721}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 45   and name HG  ))
      6.000     4.500     0.000 peak  4721 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.055 ppm2      1.341 CV     1
 ASSI { 4729}
   (  segid "    " and resid 69   and name HD1%)
   (( segid "    " and resid 62   and name HB  ))
      6.000     4.500     0.000 peak  4729 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.942 ppm2      3.830 CV     1
 ASSI { 4730}
   (  segid "    " and resid 69   and name HD1%)
   (( segid "    " and resid 72   and name HB2 ))
      6.000     6.000     0.000 peak  4730 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.940 ppm2      2.957 CV     1
 ASSI { 4731}
   (  segid "    " and resid 69   and name HD1%)
   (( segid "    " and resid 69   and name HB1 ))
      6.000     4.500     0.000 peak  4731 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.945 ppm2      2.214 CV     1
 ASSI { 4732}
   (  segid "    " and resid 69   and name HD1%)
   (( segid "    " and resid 69   and name HG  ))
      6.000     4.500     0.000 peak  4732 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.943 ppm2      1.625 CV     1
 ASSI { 4733}
   (  segid "    " and resid 69   and name HD1%)
   (( segid "    " and resid 69   and name HB2 ))
      6.000     4.500     0.000 peak  4733 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.946 ppm2      1.316 CV     1
 ASSI { 4743}
   (  segid "    " and resid 70   and name HD1%)
   (( segid "    " and resid 98   and name HB  ))
      6.000     4.500     0.000 peak  4743 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.726 ppm2      2.127 CV     1
 ASSI { 4746}
   (  segid "    " and resid 70   and name HD1%)
   (  segid "    " and resid 111  and name HD1%)
      6.000     6.000     0.000 peak  4746 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.721 ppm2      0.357 CV     1
 ASSI { 4751}
   (( segid "    " and resid 128  and name HG  ))
   (( segid "    " and resid 133  and name HB1 ))
      6.000     4.500     0.000 peak  4751 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.305 ppm2      1.493 CV     1
 ASSI { 4754}
   (( segid "    " and resid 128  and name HG  ))
   (  segid "    " and resid 131  and name HD1%)
      6.000     4.500     0.000 peak  4754 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.307 ppm2      0.880 CV     1
 ASSI { 4763}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 25   and name HB2 ))
      6.000     4.500     0.000 peak  4763 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.020 ppm2      2.111 CV     1
 OR { 4763}
   (  segid "    " and resid 58   and name HG1%)
   (( segid "    " and resid 25   and name HB2 ))
 ASSI { 4768}
   (  segid "    " and resid 58   and name HG1%)
   (( segid "    " and resid 22   and name HB2 ))
      6.000     4.500     0.000 peak  4768 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.011 ppm2      1.488 CV     1
 OR { 4768}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 22   and name HB2 ))
 ASSI { 4770}
   (  segid "    " and resid 58   and name HG2%)
   (  segid "    " and resid 59   and name HB% )
      6.000     4.500     0.000 peak  4770 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.008 ppm2      1.278 CV     1
 OR { 4770}
   (  segid "    " and resid 58   and name HG1%)
   (  segid "    " and resid 59   and name HB% )
 ASSI { 4773}
   (  segid "    " and resid 58   and name HG1%)
   (  segid "    " and resid 7    and name HD1%)
      6.000     4.500     0.000 peak  4773 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.010 ppm2      0.671 CV     1
 ASSI { 4776}
   (  segid "    " and resid 94   and name HD2%)
   (( segid "    " and resid 77   and name HB1 ))
      6.000     4.500     0.000 peak  4776 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.875 ppm2      2.612 CV     1
 ASSI { 4779}
   (  segid "    " and resid 94   and name HD1%)
   (( segid "    " and resid 18   and name HA  ))
      6.000     4.500     0.000 peak  4779 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.865 ppm2      3.432 CV     1
 ASSI { 4780}
   (  segid "    " and resid 94   and name HD1%)
   (( segid "    " and resid 9    and name HB1 ))
      6.000     4.500     0.000 peak  4780 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.864 ppm2      3.105 CV     1
 ASSI { 4782}
   (  segid "    " and resid 70   and name HD1%)
   (( segid "    " and resid 74   and name HG2 ))
      6.000     4.500     0.000 peak  4782 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.729 ppm2      2.435 CV     1
 ASSI { 4784}
   (  segid "    " and resid 70   and name HD1%)
   (( segid "    " and resid 70   and name HB2 ))
      6.000     4.500     0.000 peak  4784 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.721 ppm2      1.876 CV     1
 ASSI { 4786}
   (  segid "    " and resid 70   and name HD1%)
   (( segid "    " and resid 98   and name HG11))
      6.000     4.500     0.000 peak  4786 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.723 ppm2      0.992 CV     1
 ASSI { 4787}
   (  segid "    " and resid 70   and name HD1%)
   (  segid "    " and resid 70   and name HD2%)
      6.000     4.500     0.000 peak  4787 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.721 ppm2      0.486 CV     1
 ASSI { 4792}
   (  segid "    " and resid 113  and name HG1%)
   (( segid "    " and resid 101  and name HB1 ))
      6.000     4.500     0.000 peak  4792 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.889 ppm2      2.328 CV     1
 ASSI { 4793}
   (  segid "    " and resid 76   and name HD1%)
   (( segid "    " and resid 76   and name HG12))
      6.000     4.500     0.000 peak  4793 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.888 ppm2      2.107 CV     1
 OR { 4793}
   (  segid "    " and resid 76   and name HD1%)
   (( segid "    " and resid 76   and name HG11))
 ASSI { 4796}
   (  segid "    " and resid 94   and name HD1%)
   (( segid "    " and resid 21   and name HA  ))
      6.000     4.500     0.000 peak  4796 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.881 ppm2      4.161 CV     1
 OR { 4796}
   (  segid "    " and resid 94   and name HD2%)
   (( segid "    " and resid 21   and name HA  ))
 ASSI { 4797}
   (  segid "    " and resid 113  and name HG1%)
   (( segid "    " and resid 101  and name HB2 ))
      6.000     4.500     0.000 peak  4797 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.880 ppm2      3.348 CV     1
 ASSI { 4798}
   (  segid "    " and resid 94   and name HD2%)
   (( segid "    " and resid 94   and name HB1 ))
      6.000     4.500     0.000 peak  4798 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.860 ppm2      1.543 CV     1
 OR { 4798}
   (  segid "    " and resid 94   and name HD1%)
   (( segid "    " and resid 94   and name HB2 ))
 OR { 4798}
   (  segid "    " and resid 94   and name HD2%)
   (( segid "    " and resid 94   and name HB2 ))
 OR { 4798}
   (  segid "    " and resid 94   and name HD1%)
   (( segid "    " and resid 94   and name HB1 ))
 ASSI { 4799}
   (  segid "    " and resid 94   and name HD2%)
   (( segid "    " and resid 80   and name HA  ))
      6.000     4.500     0.000 peak  4799 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.853 ppm2      4.528 CV     1
 OR { 4799}
   (  segid "    " and resid 94   and name HD1%)
   (( segid "    " and resid 80   and name HA  ))
 ASSI { 4808}
   (  segid "    " and resid 57   and name HB% )
   (( segid "    " and resid 37   and name HB1 ))
      6.000     4.500     0.000 peak  4808 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.357 ppm2      4.084 CV     1
 ASSI { 4809}
   (  segid "    " and resid 57   and name HB% )
   (( segid "    " and resid 128  and name HA  ))
      6.000     4.500     0.000 peak  4809 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.363 ppm2      3.847 CV     1
 ASSI { 4819}
   (  segid "    " and resid 57   and name HB% )
   (  segid "    " and resid 131  and name HD1%)
      6.000     4.500     0.000 peak  4819 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.362 ppm2      0.876 CV     1
 ASSI { 4821}
   (  segid "    " and resid 57   and name HB% )
   (  segid "    " and resid 128  and name HD1%)
      6.000     4.500     0.000 peak  4821 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.362 ppm2      0.594 CV     1
 OR { 4821}
   (  segid "    " and resid 57   and name HB% )
   (  segid "    " and resid 128  and name HD2%)
 ASSI { 4822}
   (  segid "    " and resid 57   and name HB% )
   (( segid "    " and resid 128  and name HG  ))
      6.000     4.500     0.000 peak  4822 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.363 ppm2      0.305 CV     1
 ASSI { 4830}
   (  segid "    " and resid 36   and name HG1%)
   (( segid "    " and resid 22   and name HB2 ))
      6.000     4.500     0.000 peak  4830 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.115 ppm2      1.484 CV     1
 ASSI { 4836}
   (( segid "    " and resid 64   and name HG  ))
   (( segid "    " and resid 30   and name HB1 ))
      6.000     4.500     0.000 peak  4836 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.769 ppm2      2.015 CV     1
 ASSI { 4837}
   (  segid "    " and resid 2    and name HG2%)
   (( segid "    " and resid 61   and name HG2 ))
      6.000     4.500     0.000 peak  4837 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.771 ppm2      1.967 CV     1
 ASSI { 4839}
   (  segid "    " and resid 2    and name HG2%)
   (  segid "    " and resid 2    and name HG1%)
      6.000     4.500     0.000 peak  4839 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.775 ppm2      0.128 CV     1
 ASSI { 4857}
   (( segid "    " and resid 54   and name HG  ))
   (( segid "    " and resid 39   and name HB2 ))
      6.000     4.500     0.000 peak  4857 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.239 ppm2      3.379 CV     1
 ASSI { 4858}
   (( segid "    " and resid 54   and name HG  ))
   (( segid "    " and resid 158  and name HB2 ))
      6.000     4.500     0.000 peak  4858 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.236 ppm2      3.070 CV     1
 ASSI { 4863}
   (( segid "    " and resid 54   and name HG  ))
   (( segid "    " and resid 54   and name HB2 ))
      6.000     4.500     0.000 peak  4863 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.237 ppm2      0.968 CV     1
 ASSI { 4865}
   (( segid "    " and resid 54   and name HG  ))
   (  segid "    " and resid 18   and name HG1%)
      6.000     4.500     0.000 peak  4865 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.238 ppm2      0.635 CV     1
 ASSI { 4867}
   (( segid "    " and resid 54   and name HG  ))
   (  segid "    " and resid 54   and name HD1%)
      6.000     4.500     0.000 peak  4867 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.239 ppm2     -0.634 CV     1
 OR { 4867}
   (( segid "    " and resid 54   and name HG  ))
   (  segid "    " and resid 54   and name HD2%)
 ASSI { 4872}
   (  segid "    " and resid 147  and name HD1%)
   (( segid "    " and resid 129  and name HB1 ))
      6.000     4.500     0.000 peak  4872 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1     -0.568 ppm2      2.891 CV     1
 ASSI { 4875}
   (  segid "    " and resid 147  and name HD1%)
   (  segid "    " and resid 125  and name HD2%)
      6.000     4.500     0.000 peak  4875 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1     -0.569 ppm2      0.482 CV     1
 OR { 4875}
   (  segid "    " and resid 147  and name HD1%)
   (  segid "    " and resid 125  and name HD1%)
 ASSI { 4883}
   (  segid "    " and resid 59   and name HB% )
   (( segid "    " and resid 131  and name HG11))
      6.000     4.500     0.000 peak  4883 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.264 ppm2      1.641 CV     1
 OR { 4883}
   (  segid "    " and resid 59   and name HB% )
   (( segid "    " and resid 131  and name HG12))
 ASSI { 4884}
   (  segid "    " and resid 59   and name HB% )
   (( segid "    " and resid 34   and name HB2 ))
      6.000     4.500     0.000 peak  4884 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.255 ppm2      1.705 CV     1
 ASSI { 4885}
   (  segid "    " and resid 59   and name HB% )
   (  segid "    " and resid 2    and name HG1%)
      6.000     4.500     0.000 peak  4885 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.258 ppm2      0.133 CV     1
 ASSI { 4890}
   (  segid "    " and resid 113  and name HG2%)
   (( segid "    " and resid 114  and name HD2 ))
      6.000     4.500     0.000 peak  4890 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.177 ppm2      3.690 CV     1
 ASSI { 4893}
   (  segid "    " and resid 113  and name HG2%)
   (( segid "    " and resid 114  and name HG1 ))
      6.000     4.500     0.000 peak  4893 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.176 ppm2      2.459 CV     1
 ASSI { 4894}
   (  segid "    " and resid 113  and name HG2%)
   (( segid "    " and resid 101  and name HB1 ))
      6.000     4.500     0.000 peak  4894 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.176 ppm2      2.329 CV     1
 ASSI { 4895}
   (  segid "    " and resid 113  and name HG2%)
   (( segid "    " and resid 114  and name HB2 ))
      6.000     4.500     0.000 peak  4895 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.176 ppm2      2.141 CV     1
 ASSI { 4897}
   (  segid "    " and resid 113  and name HG2%)
   (( segid "    " and resid 113  and name HB  ))
      6.000     4.500     0.000 peak  4897 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.176 ppm2      1.879 CV     1
 ASSI { 4906}
   (  segid "    " and resid 105  and name HG2%)
   (( segid "    " and resid 104  and name HB1 ))
      6.000     4.500     0.000 peak  4906 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.062 ppm2      2.181 CV     1
 OR { 4906}
   (  segid "    " and resid 105  and name HG1%)
   (( segid "    " and resid 104  and name HB1 ))
 ASSI { 4907}
   (  segid "    " and resid 136  and name HG1%)
   (( segid "    " and resid 135  and name HB1 ))
      6.000     4.500     0.000 peak  4907 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.063 ppm2      1.745 CV     1
 OR { 4907}
   (  segid "    " and resid 136  and name HG2%)
   (( segid "    " and resid 135  and name HB1 ))
 ASSI { 4911}
   (  segid "    " and resid 2    and name HG2%)
   (  segid "    " and resid 59   and name HB% )
      6.000     4.500     0.000 peak  4911 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.783 ppm2      1.265 CV     1
 ASSI { 4914}
   (( segid "    " and resid 54   and name HG  ))
   (( segid "    " and resid 18   and name HB  ))
      6.000     4.500     0.000 peak  4914 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.238 ppm2      1.526 CV     1
 ASSI { 4920}
   (  segid "    " and resid 147  and name HD1%)
   (( segid "    " and resid 129  and name HB2 ))
      6.000     4.500     0.000 peak  4920 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1     -0.567 ppm2      3.185 CV     1
 ASSI { 4933}
   (  segid "    " and resid 6    and name HB% )
   (  segid "    " and resid 5    and name HG2%)
      6.000     4.500     0.000 peak  4933 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.777 ppm2      0.856 CV     1
 ASSI { 4936}
   (  segid "    " and resid 105  and name HG1%)
   (( segid "    " and resid 105  and name HB  ))
      6.000     4.500     0.000 peak  4936 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.040 ppm2      2.004 CV     1
 OR { 4936}
   (  segid "    " and resid 105  and name HG2%)
   (( segid "    " and resid 105  and name HB  ))
 ASSI { 4939}
   (  segid "    " and resid 105  and name HG2%)
   (( segid "    " and resid 114  and name HD2 ))
      6.000     4.500     0.000 peak  4939 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.037 ppm2      3.688 CV     1
 OR { 4939}
   (  segid "    " and resid 105  and name HG1%)
   (( segid "    " and resid 114  and name HD2 ))
 ASSI { 4945}
   (  segid "    " and resid 83   and name HG1%)
   (( segid "    " and resid 85   and name HG1 ))
      6.000     4.500     0.000 peak  4945 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.971 ppm2      1.444 CV     1
 OR { 4945}
   (  segid "    " and resid 83   and name HG1%)
   (( segid "    " and resid 85   and name HG2 ))
 OR { 4945}
   (  segid "    " and resid 83   and name HG2%)
   (( segid "    " and resid 85   and name HG2 ))
 OR { 4945}
   (  segid "    " and resid 83   and name HG2%)
   (( segid "    " and resid 85   and name HG1 ))
 ASSI { 4951}
   (( segid "    " and resid 155  and name HG  ))
   (( segid "    " and resid 123  and name HB1 ))
      6.000     4.500     0.000 peak  4951 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.787 ppm2      3.333 CV     1
 ASSI { 4952}
   (( segid "    " and resid 155  and name HG  ))
   (( segid "    " and resid 127  and name HD2 ))
      6.000     4.500     0.000 peak  4952 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.787 ppm2      3.237 CV     1
 ASSI { 4953}
   (( segid "    " and resid 155  and name HG  ))
   (( segid "    " and resid 40   and name HB2 ))
      6.000     4.500     0.000 peak  4953 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.786 ppm2      3.086 CV     1
 ASSI { 4954}
   (( segid "    " and resid 155  and name HG  ))
   (( segid "    " and resid 126  and name HB1 ))
      6.000     4.500     0.000 peak  4954 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.787 ppm2      2.976 CV     1
 ASSI { 4955}
   (( segid "    " and resid 155  and name HG  ))
   (( segid "    " and resid 154  and name HE1 ))
      6.000     4.500     0.000 peak  4955 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.788 ppm2      2.850 CV     1
 ASSI { 4956}
   (( segid "    " and resid 155  and name HG  ))
   (( segid "    " and resid 40   and name HB1 ))
      6.000     4.500     0.000 peak  4956 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.786 ppm2      2.727 CV     1
 ASSI { 4961}
   (( segid "    " and resid 1    and name HG21))
   (( segid "    " and resid 104  and name HG1 ))
      6.000     4.500     0.000 peak  4961 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.562 ppm2      2.549 CV     1
 ASSI { 4963}
   (( segid "    " and resid 1    and name HG21))
   (  segid "    " and resid 3    and name HB% )
      6.000     4.500     0.000 peak  4963 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.562 ppm2      1.235 CV     1
 ASSI { 4965}
   (( segid "    " and resid 1    and name HG21))
   (( segid "    " and resid 2    and name HA  ))
      6.000     4.500     0.000 peak  4965 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.557 ppm2      4.233 CV     1
 ASSI { 4969}
   (  segid "    " and resid 6    and name HB% )
   (  segid "    " and resid 57   and name HB% )
      6.000     4.500     0.000 peak  4969 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.776 ppm2      1.350 CV     1
 ASSI { 4973}
   (  segid "    " and resid 112  and name HG2%)
   (( segid "    " and resid 115  and name HB1 ))
      6.000     4.500     0.000 peak  4973 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.466 ppm2      3.015 CV     1
 ASSI { 4977}
   (  segid "    " and resid 3    and name HB% )
   (( segid "    " and resid 101  and name HB2 ))
      6.000     4.500     0.000 peak  4977 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.232 ppm2      3.350 CV     1
 ASSI { 4978}
   (  segid "    " and resid 3    and name HB% )
   (( segid "    " and resid 101  and name HB1 ))
      6.000     4.500     0.000 peak  4978 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.232 ppm2      2.326 CV     1
 ASSI { 4979}
   (  segid "    " and resid 3    and name HB% )
   (( segid "    " and resid 60   and name HB2 ))
      6.000     4.500     0.000 peak  4979 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.229 ppm2      1.833 CV     1
 ASSI { 4990}
   (  segid "    " and resid 36   and name HG2%)
   (( segid "    " and resid 33   and name HG12))
      6.000     4.500     0.000 peak  4990 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.361 ppm2      1.618 CV     1
 OR { 4990}
   (  segid "    " and resid 36   and name HG2%)
   (( segid "    " and resid 33   and name HG11))
 ASSI { 4991}
   (  segid "    " and resid 36   and name HG2%)
   (( segid "    " and resid 22   and name HB2 ))
      6.000     4.500     0.000 peak  4991 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.358 ppm2      1.502 CV     1
 ASSI { 5002}
   (  segid "    " and resid 18   and name HG2%)
   (  segid "    " and resid 7    and name HG2%)
      6.000     4.500     0.000 peak  5002 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.237 ppm2      0.824 CV     1
 ASSI { 5005}
   (  segid "    " and resid 18   and name HG2%)
   (  segid "    " and resid 54   and name HD2%)
      6.000     4.500     0.000 peak  5005 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.237 ppm2     -0.637 CV     1
 ASSI { 5009}
   (  segid "    " and resid 2    and name HG1%)
   (( segid "    " and resid 34   and name HB1 ))
      6.000     4.500     0.000 peak  5009 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.137 ppm2      1.542 CV     1
 ASSI { 5027}
   (  segid "    " and resid 86   and name HB% )
   (( segid "    " and resid 47   and name HG1 ))
      6.000     4.500     0.000 peak  5027 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.450 ppm2      2.112 CV     1
 ASSI { 5031}
   (  segid "    " and resid 24   and name HB% )
   (( segid "    " and resid 76   and name HA  ))
      6.000     4.500     0.000 peak  5031 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.572 ppm2      3.593 CV     1
 ASSI { 5032}
   (  segid "    " and resid 21   and name HB% )
   (( segid "    " and resid 22   and name HG  ))
      6.000     4.500     0.000 peak  5032 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.570 ppm2      1.945 CV     1
 ASSI { 5036}
   (  segid "    " and resid 24   and name HB% )
   (( segid "    " and resid 76   and name HG11))
      6.000     4.500     0.000 peak  5036 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.575 ppm2      2.121 CV     1
 OR { 5036}
   (  segid "    " and resid 24   and name HB% )
   (( segid "    " and resid 76   and name HG12))
 ASSI { 5043}
   (  segid "    " and resid 21   and name HB% )
   (  segid "    " and resid 18   and name HG2%)
      6.000     4.500     0.000 peak  5043 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.563 ppm2      0.244 CV     1
 ASSI { 5082}
   (  segid "    " and resid 15   and name HD1%)
   (( segid "    " and resid 14   and name HB2 ))
      6.000     4.500     0.000 peak  5082 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.019 ppm2      1.163 CV     1
 OR { 5082}
   (  segid "    " and resid 15   and name HD2%)
   (( segid "    " and resid 14   and name HB2 ))
 ASSI { 5083}
   (  segid "    " and resid 15   and name HD1%)
   (  segid "    " and resid 18   and name HG1%)
      6.000     4.500     0.000 peak  5083 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.017 ppm2      0.644 CV     1
 ASSI { 5085}
   (  segid "    " and resid 132  and name HB% )
   (  segid "    " and resid 135  and name HD1%)
      6.000     4.500     0.000 peak  5085 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.019 ppm2      0.136 CV     1
 ASSI { 5086}
   (  segid "    " and resid 15   and name HD1%)
   (( segid "    " and resid 15   and name HA  ))
      6.000     4.500     0.000 peak  5086 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.014 ppm2      3.431 CV     1
 OR { 5086}
   (  segid "    " and resid 15   and name HD2%)
   (( segid "    " and resid 15   and name HA  ))
 ASSI { 5099}
   (  segid "    " and resid 62   and name HG2%)
   (( segid "    " and resid 69   and name HB1 ))
      6.000     4.500     0.000 peak  5099 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.116 ppm2      2.216 CV     1
 ASSI { 5102}
   (  segid "    " and resid 62   and name HG2%)
   (( segid "    " and resid 64   and name HB1 ))
      6.000     4.500     0.000 peak  5102 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.112 ppm2      1.483 CV     1
 ASSI { 5111}
   (  segid "    " and resid 106  and name HG2%)
   (  segid "    " and resid 108  and name HG2%)
      6.000     4.500     0.000 peak  5111 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.944 ppm2      1.220 CV     1
 ASSI { 5112}
   (  segid "    " and resid 106  and name HG2%)
   (  segid "    " and resid 106  and name HD1%)
      6.000     4.500     0.000 peak  5112 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.945 ppm2      0.641 CV     1
 ASSI { 5118}
   (  segid "    " and resid 131  and name HG2%)
   (  segid "    " and resid 59   and name HB% )
      6.000     4.500     0.000 peak  5118 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.849 ppm2      1.272 CV     1
 ASSI { 5135}
   (  segid "    " and resid 131  and name HG2%)
   (( segid "    " and resid 128  and name HG  ))
      6.000     4.500     0.000 peak  5135 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.845 ppm2      0.283 CV     1
 ASSI { 5138}
   (  segid "    " and resid 76   and name HG2%)
   (( segid "    " and resid 77   and name HA  ))
      6.000     4.500     0.000 peak  5138 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.836 ppm2      3.747 CV     1
 ASSI { 5140}
   (  segid "    " and resid 76   and name HG2%)
   (( segid "    " and resid 80   and name HG1 ))
      6.000     6.000     0.000 peak  5140 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.837 ppm2      2.524 CV     1
 ASSI { 5149}
   (  segid "    " and resid 146  and name HG2%)
   (( segid "    " and resid 150  and name HD2 ))
      6.000     4.500     0.000 peak  5149 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.752 ppm2      2.964 CV     1
 ASSI { 5152}
   (  segid "    " and resid 65   and name HB% )
   (( segid "    " and resid 68   and name HG2 ))
      6.000     4.500     0.000 peak  5152 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.459 ppm2      2.416 CV     1
 OR { 5152}
   (  segid "    " and resid 65   and name HB% )
   (( segid "    " and resid 68   and name HG1 ))
 ASSI { 5155}
   (  segid "    " and resid 65   and name HB% )
   (( segid "    " and resid 67   and name HG2 ))
      6.000     4.500     0.000 peak  5155 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.453 ppm2      2.018 CV     1
 ASSI { 5170}
   (  segid "    " and resid 20   and name HB% )
   (( segid "    " and resid 17   and name HA  ))
      6.000     4.500     0.000 peak  5170 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.453 ppm2      4.002 CV     1
 ASSI { 5171}
   (  segid "    " and resid 20   and name HB% )
   (( segid "    " and resid 19   and name HB2 ))
      6.000     4.500     0.000 peak  5171 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.454 ppm2      2.866 CV     1
 ASSI { 5174}
   (  segid "    " and resid 28   and name HG2%)
   (( segid "    " and resid 69   and name HA  ))
      6.000     4.500     0.000 peak  5174 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.604 ppm2      4.202 CV     1
 ASSI { 5179}
   (  segid "    " and resid 28   and name HG2%)
   (( segid "    " and resid 29   and name HD1 ))
      6.000     4.500     0.000 peak  5179 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.604 ppm2      2.754 CV     1
 ASSI { 5181}
   (  segid "    " and resid 28   and name HG2%)
   (( segid "    " and resid 64   and name HB2 ))
      6.000     4.500     0.000 peak  5181 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.604 ppm2      1.741 CV     1
 ASSI { 5186}
   (  segid "    " and resid 28   and name HG2%)
   (  segid "    " and resid 69   and name HD1%)
      6.000     6.000     0.000 peak  5186 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.603 ppm2      0.953 CV     1
 ASSI { 5187}
   (  segid "    " and resid 28   and name HD1%)
   (( segid "    " and resid 72   and name HB1 ))
      6.000     4.500     0.000 peak  5187 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.820 ppm2      3.451 CV     1
 ASSI { 5200}
   (  segid "    " and resid 131  and name HD1%)
   (( segid "    " and resid 4    and name HB1 ))
      6.000     4.500     0.000 peak  5200 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.887 ppm2      2.729 CV     1
 ASSI { 5202}
   (  segid "    " and resid 131  and name HD1%)
   (  segid "    " and resid 59   and name HB% )
      6.000     4.500     0.000 peak  5202 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.885 ppm2      1.266 CV     1
 ASSI { 5204}
   (  segid "    " and resid 131  and name HD1%)
   (( segid "    " and resid 128  and name HA  ))
      6.000     4.500     0.000 peak  5204 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.878 ppm2      3.868 CV     1
 ASSI { 5205}
   (  segid "    " and resid 131  and name HD1%)
   (( segid "    " and resid 131  and name HB  ))
      6.000     4.500     0.000 peak  5205 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.882 ppm2      2.147 CV     1
 ASSI { 5206}
   (  segid "    " and resid 131  and name HD1%)
   (( segid "    " and resid 131  and name HG11))
      6.000     4.500     0.000 peak  5206 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.880 ppm2      1.658 CV     1
 OR { 5206}
   (  segid "    " and resid 131  and name HD1%)
   (( segid "    " and resid 131  and name HG12))
 ASSI { 5207}
   (  segid "    " and resid 28   and name HD1%)
   (( segid "    " and resid 31   and name HB2 ))
      6.000     4.500     0.000 peak  5207 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.821 ppm2      3.624 CV     1
 OR { 5207}
   (  segid "    " and resid 28   and name HD1%)
   (( segid "    " and resid 31   and name HB1 ))
 ASSI { 5208}
   (  segid "    " and resid 28   and name HD1%)
   (( segid "    " and resid 25   and name HA  ))
      6.000     4.500     0.000 peak  5208 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.815 ppm2      3.891 CV     1
 ASSI { 5210}
   (  segid "    " and resid 146  and name HD1%)
   (( segid "    " and resid 119  and name HA  ))
      6.000     4.500     0.000 peak  5210 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.475 ppm2      3.818 CV     1
 ASSI { 5227}
   (  segid "    " and resid 106  and name HD1%)
   (( segid "    " and resid 66   and name HG1 ))
      6.000     4.500     0.000 peak  5227 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.642 ppm2      1.745 CV     1
 ASSI { 5230}
   (  segid "    " and resid 33   and name HD1%)
   (( segid "    " and resid 25   and name HB2 ))
      6.000     4.500     0.000 peak  5230 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.913 ppm2      2.125 CV     1
 ASSI { 5233}
   (  segid "    " and resid 33   and name HD1%)
   (( segid "    " and resid 33   and name HG12))
      6.000     4.500     0.000 peak  5233 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.911 ppm2      1.596 CV     1
 OR { 5233}
   (  segid "    " and resid 33   and name HD1%)
   (( segid "    " and resid 33   and name HG11))
 ASSI { 5236}
   (  segid "    " and resid 98   and name HG2%)
   (( segid "    " and resid 101  and name HB2 ))
      6.000     4.500     0.000 peak  5236 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.813 ppm2      3.347 CV     1
 ASSI {    5}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 3    and name HA  ))
      3.000     1.100     1.100 peak     5 spectrum    1 weight  0.10000E+01 volume  0.44493E-02 ppm1      9.234 ppm2      4.963 CV     1
 ASSI {    6}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 61   and name HA  ))
      3.400     1.400     1.400 peak     6 spectrum    1 weight  0.10000E+01 volume  0.14861E-01 ppm1      9.234 ppm2      4.747 CV     1
 ASSI {    7}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 2    and name HA  ))
      2.100     0.600     0.600 peak     7 spectrum    1 weight  0.10000E+01 volume  0.31605E-01 ppm1      9.234 ppm2      4.216 CV     1
 ASSI {    9}
   (( segid "    " and resid 3    and name HN  ))
   (  segid "    " and resid 3    and name HB% )
      2.400     0.700     0.700 peak     9 spectrum    1 weight  0.10000E+01 volume  0.22462E-01 ppm1      9.235 ppm2      1.223 CV     1
 ASSI {   11}
   (( segid "    " and resid 3    and name HN  ))
   (  segid "    " and resid 2    and name HG2%)
      3.800     1.800     1.800 peak    11 spectrum    1 weight  0.10000E+01 volume  0.17976E-01 ppm1      9.235 ppm2      0.778 CV     1
 ASSI {   13}
   (( segid "    " and resid 3    and name HN  ))
   (  segid "    " and resid 2    and name HG1%)
      2.600     0.800     0.800 peak    13 spectrum    1 weight  0.10000E+01 volume  0.16519E-01 ppm1      9.234 ppm2      0.128 CV     1
 ASSI {   17}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 99   and name HN  ))
      4.700     2.700     1.300 peak    17 spectrum    1 weight  0.10000E+01 volume  0.27710E-02 ppm1      9.996 ppm2      9.591 CV     1
 ASSI {   20}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 5    and name HA  ))
      2.300     0.700     0.700 peak    20 spectrum    1 weight  0.10000E+01 volume  0.18017E-01 ppm1      9.997 ppm2      4.872 CV     1
 ASSI {   21}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 98   and name HA  ))
      4.300     2.400     1.700 peak    21 spectrum    1 weight  0.10000E+01 volume  0.46028E-02 ppm1      9.996 ppm2      4.173 CV     1
 ASSI {   22}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 99   and name HG2 ))
      4.300     2.400     1.700 peak    22 spectrum    1 weight  0.10000E+01 volume  0.44161E-02 ppm1      9.996 ppm2      2.675 CV     1
 ASSI {   23}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 97   and name HB2 ))
      6.000     5.700     0.000 peak    23 spectrum    1 weight  0.10000E+01 volume  0.16095E-03 ppm1      9.996 ppm2      2.548 CV     1
 ASSI {   24}
   (( segid "    " and resid 6    and name HN  ))
   (  segid "    " and resid 6    and name HB% )
      2.800     1.000     1.000 peak    24 spectrum    1 weight  0.10000E+01 volume  0.13551E-01 ppm1      9.997 ppm2      1.768 CV     1
 ASSI {   25}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 5    and name HG12))
      4.000     2.000     2.000 peak    25 spectrum    1 weight  0.10000E+01 volume  0.99723E-02 ppm1      9.997 ppm2      1.574 CV     1
 OR {   25}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 5    and name HG11))
 ASSI {   30}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 50   and name HE22))
      2.600     0.900     0.900 peak    30 spectrum    1 weight  0.10000E+01 volume  0.10137E-01 ppm1      9.418 ppm2      7.106 CV     1
 ASSI {   31}
   (( segid "    " and resid 45   and name HN  ))
   (  segid "    " and resid 53   and name HD% )
      4.800     2.900     1.200 peak    31 spectrum    1 weight  0.10000E+01 volume  0.74514E-02 ppm1      9.417 ppm2      6.574 CV     1
 ASSI {   33}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 45   and name HA  ))
      3.100     1.200     1.200 peak    33 spectrum    1 weight  0.10000E+01 volume  0.48891E-02 ppm1      9.416 ppm2      4.569 CV     1
 ASSI {   34}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 44   and name HA  ))
      2.900     1.000     1.000 peak    34 spectrum    1 weight  0.10000E+01 volume  0.83911E-02 ppm1      9.420 ppm2      4.198 CV     1
 ASSI {   35}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 44   and name HB2 ))
      2.900     1.100     1.100 peak    35 spectrum    1 weight  0.10000E+01 volume  0.44368E-02 ppm1      9.419 ppm2      1.924 CV     1
 OR {   35}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 44   and name HB1 ))
 ASSI {   36}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 45   and name HB2 ))
      2.900     1.000     1.000 peak    36 spectrum    1 weight  0.10000E+01 volume  0.12658E-01 ppm1      9.416 ppm2      1.595 CV     1
 OR {   36}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 45   and name HB1 ))
 ASSI {   37}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 45   and name HG  ))
      4.300     2.300     1.700 peak    37 spectrum    1 weight  0.10000E+01 volume  0.20065E-02 ppm1      9.418 ppm2      1.351 CV     1
 ASSI {   38}
   (( segid "    " and resid 45   and name HN  ))
   (  segid "    " and resid 45   and name HD1%)
      5.200     3.400     0.800 peak    38 spectrum    1 weight  0.10000E+01 volume  0.30722E-02 ppm1      9.417 ppm2      0.824 CV     1
 ASSI {   40}
   (( segid "    " and resid 45   and name HN  ))
   (  segid "    " and resid 45   and name HD2%)
      5.200     3.400     0.800 peak    40 spectrum    1 weight  0.10000E+01 volume  0.29347E-02 ppm1      9.412 ppm2      1.055 CV     1
 ASSI {   43}
   (( segid "    " and resid 96   and name HN  ))
   (( segid "    " and resid 96   and name HB2 ))
      4.000     2.000     2.000 peak    43 spectrum    1 weight  0.10000E+01 volume  0.40971E-02 ppm1     10.616 ppm2      2.177 CV     1
 ASSI {   44}
   (( segid "    " and resid 96   and name HN  ))
   (( segid "    " and resid 77   and name HG1 ))
      4.400     2.400     1.600 peak    44 spectrum    1 weight  0.10000E+01 volume  0.28213E-02 ppm1     10.617 ppm2      1.953 CV     1
 ASSI {   45}
   (( segid "    " and resid 96   and name HN  ))
   (( segid "    " and resid 96   and name HG  ))
      3.600     1.600     1.600 peak    45 spectrum    1 weight  0.10000E+01 volume  0.33471E-02 ppm1     10.617 ppm2      1.623 CV     1
 ASSI {   47}
   (( segid "    " and resid 96   and name HN  ))
   (( segid "    " and resid 96   and name HB1 ))
      3.100     1.200     1.200 peak    47 spectrum    1 weight  0.10000E+01 volume  0.86243E-02 ppm1     10.613 ppm2      0.949 CV     1
 ASSI {   51}
   (( segid "    " and resid 106  and name HN  ))
   (( segid "    " and resid 107  and name HN  ))
      3.700     1.800     1.800 peak    51 spectrum    1 weight  0.10000E+01 volume  0.40822E-02 ppm1      9.385 ppm2      9.217 CV     1
 ASSI {   52}
   (( segid "    " and resid 106  and name HN  ))
   (( segid "    " and resid 105  and name HA  ))
      2.200     0.600     0.600 peak    52 spectrum    1 weight  0.10000E+01 volume  0.20919E-01 ppm1      9.384 ppm2      4.649 CV     1
 ASSI {   54}
   (( segid "    " and resid 106  and name HN  ))
   (( segid "    " and resid 114  and name HD2 ))
      5.600     3.900     0.400 peak    54 spectrum    1 weight  0.10000E+01 volume  0.94936E-03 ppm1      9.387 ppm2      3.667 CV     1
 ASSI {   55}
   (( segid "    " and resid 106  and name HN  ))
   (  segid "    " and resid 105  and name HG1%)
      2.900     1.000     1.000 peak    55 spectrum    1 weight  0.10000E+01 volume  0.25878E-01 ppm1      9.387 ppm2      1.038 CV     1
 OR {   55}
   (( segid "    " and resid 106  and name HN  ))
   (  segid "    " and resid 105  and name HG2%)
 ASSI {   56}
   (( segid "    " and resid 106  and name HN  ))
   (  segid "    " and resid 106  and name HD1%)
      4.900     3.000     1.100 peak    56 spectrum    1 weight  0.10000E+01 volume  0.34989E-02 ppm1      9.382 ppm2      0.646 CV     1
 ASSI {   57}
   (( segid "    " and resid 106  and name HN  ))
   (( segid "    " and resid 112  and name HA  ))
      5.700     4.100     0.300 peak    57 spectrum    1 weight  0.10000E+01 volume  0.15850E-02 ppm1      9.388 ppm2      5.244 CV     1
 ASSI {   61}
   (( segid "    " and resid 106  and name HN  ))
   (( segid "    " and resid 106  and name HB  ))
      3.000     1.200     1.200 peak    61 spectrum    1 weight  0.10000E+01 volume  0.10996E-01 ppm1      9.385 ppm2      1.442 CV     1
 ASSI {   63}
   (( segid "    " and resid 132  and name HN  ))
   (  segid "    " and resid 129  and name HD% )
      5.000     3.100     1.000 peak    63 spectrum    1 weight  0.10000E+01 volume  0.17812E-02 ppm1      8.300 ppm2      7.192 CV     1
 ASSI {   64}
   (( segid "    " and resid 132  and name HN  ))
   (( segid "    " and resid 131  and name HN  ))
      2.400     0.700     0.700 peak    64 spectrum    1 weight  0.10000E+01 volume  0.18712E-01 ppm1      8.300 ppm2      6.926 CV     1
 ASSI {   65}
   (( segid "    " and resid 132  and name HN  ))
   (( segid "    " and resid 132  and name HA  ))
      2.900     1.000     1.000 peak    65 spectrum    1 weight  0.10000E+01 volume  0.11818E-01 ppm1      8.300 ppm2      4.758 CV     1
 ASSI {   66}
   (( segid "    " and resid 132  and name HN  ))
   (( segid "    " and resid 133  and name HA  ))
      3.800     1.800     1.800 peak    66 spectrum    1 weight  0.10000E+01 volume  0.28733E-02 ppm1      8.304 ppm2      4.104 CV     1
 ASSI {   68}
   (( segid "    " and resid 132  and name HN  ))
   (( segid "    " and resid 130  and name HB1 ))
      4.900     3.000     1.100 peak    68 spectrum    1 weight  0.10000E+01 volume  0.17669E-02 ppm1      8.300 ppm2      2.654 CV     1
 ASSI {   69}
   (( segid "    " and resid 132  and name HN  ))
   (( segid "    " and resid 133  and name HB1 ))
      3.400     1.400     1.400 peak    69 spectrum    1 weight  0.10000E+01 volume  0.13443E-01 ppm1      8.300 ppm2      1.474 CV     1
 ASSI {   70}
   (( segid "    " and resid 132  and name HN  ))
   (  segid "    " and resid 132  and name HB% )
      2.700     0.900     0.900 peak    70 spectrum    1 weight  0.10000E+01 volume  0.23187E-01 ppm1      8.300 ppm2      1.006 CV     1
 ASSI {   71}
   (( segid "    " and resid 132  and name HN  ))
   (  segid "    " and resid 128  and name HD2%)
      4.400     2.400     1.600 peak    71 spectrum    1 weight  0.10000E+01 volume  0.11371E-02 ppm1      8.303 ppm2      0.606 CV     1
 OR {   71}
   (( segid "    " and resid 132  and name HN  ))
   (  segid "    " and resid 128  and name HD1%)
 ASSI {   72}
   (( segid "    " and resid 132  and name HN  ))
   (( segid "    " and resid 128  and name HG  ))
      3.800     1.800     1.800 peak    72 spectrum    1 weight  0.10000E+01 volume  0.47355E-02 ppm1      8.300 ppm2      0.319 CV     1
 ASSI {   73}
   (( segid "    " and resid 98   and name HN  ))
   (( segid "    " and resid 97   and name HB1 ))
      4.300     2.300     1.700 peak    73 spectrum    1 weight  0.10000E+01 volume  0.68735E-03 ppm1     11.149 ppm2      2.361 CV     1
 ASSI {   76}
   (( segid "    " and resid 98   and name HN  ))
   (( segid "    " and resid 99   and name HN  ))
      4.200     2.200     1.800 peak    76 spectrum    1 weight  0.10000E+01 volume  0.43175E-02 ppm1     11.140 ppm2      9.585 CV     1
 ASSI {   79}
   (( segid "    " and resid 98   and name HN  ))
   (( segid "    " and resid 97   and name HA  ))
      2.500     0.800     0.800 peak    79 spectrum    1 weight  0.10000E+01 volume  0.12023E-01 ppm1     11.142 ppm2      5.537 CV     1
 ASSI {   81}
   (( segid "    " and resid 98   and name HN  ))
   (( segid "    " and resid 98   and name HA  ))
      4.000     2.000     2.000 peak    81 spectrum    1 weight  0.10000E+01 volume  0.88751E-03 ppm1     11.140 ppm2      4.168 CV     1
 ASSI {   82}
   (( segid "    " and resid 98   and name HN  ))
   (( segid "    " and resid 98   and name HB  ))
      2.600     0.900     0.900 peak    82 spectrum    1 weight  0.10000E+01 volume  0.86835E-02 ppm1     11.145 ppm2      2.108 CV     1
 ASSI {   83}
   (( segid "    " and resid 98   and name HN  ))
   (( segid "    " and resid 98   and name HG12))
      3.700     1.700     1.700 peak    83 spectrum    1 weight  0.10000E+01 volume  0.71568E-02 ppm1     11.139 ppm2      1.864 CV     1
 ASSI {   85}
   (( segid "    " and resid 98   and name HN  ))
   (  segid "    " and resid 98   and name HG2%)
      4.000     2.000     2.000 peak    85 spectrum    1 weight  0.10000E+01 volume  0.76921E-02 ppm1     11.143 ppm2      0.818 CV     1
 ASSI {   87}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 61   and name HG2 ))
      5.500     3.700     0.500 peak    87 spectrum    1 weight  0.10000E+01 volume  0.25703E-02 ppm1      8.795 ppm2      2.218 CV     1
 ASSI {   90}
   (( segid "    " and resid 132  and name HN  ))
   (( segid "    " and resid 131  and name HA  ))
      3.300     1.400     1.400 peak    90 spectrum    1 weight  0.10000E+01 volume  0.73284E-02 ppm1      8.300 ppm2      4.497 CV     1
 ASSI {   91}
   (( segid "    " and resid 132  and name HN  ))
   (( segid "    " and resid 133  and name HD1 ))
      3.100     1.200     1.200 peak    91 spectrum    1 weight  0.10000E+01 volume  0.58201E-02 ppm1      8.298 ppm2      3.425 CV     1
 ASSI {   92}
   (( segid "    " and resid 132  and name HN  ))
   (( segid "    " and resid 133  and name HD2 ))
      3.900     1.900     1.900 peak    92 spectrum    1 weight  0.10000E+01 volume  0.71025E-02 ppm1      8.299 ppm2      3.116 CV     1
 ASSI {   94}
   (( segid "    " and resid 132  and name HN  ))
   (( segid "    " and resid 131  and name HB  ))
      3.700     1.700     1.700 peak    94 spectrum    1 weight  0.10000E+01 volume  0.72572E-02 ppm1      8.300 ppm2      2.142 CV     1
 ASSI {   95}
   (( segid "    " and resid 132  and name HN  ))
   (( segid "    " and resid 131  and name HG11))
      2.600     0.900     0.900 peak    95 spectrum    1 weight  0.10000E+01 volume  0.14076E-01 ppm1      8.300 ppm2      1.653 CV     1
 OR {   95}
   (( segid "    " and resid 132  and name HN  ))
   (( segid "    " and resid 131  and name HG12))
 ASSI {   97}
   (( segid "    " and resid 132  and name HN  ))
   (  segid "    " and resid 131  and name HG2%)
      3.800     1.800     1.800 peak    97 spectrum    1 weight  0.10000E+01 volume  0.14363E-01 ppm1      8.300 ppm2      0.853 CV     1
 ASSI {   98}
   (( segid "    " and resid 113  and name HN  ))
   (  segid "    " and resid 105  and name HG1%)
      4.000     2.000     2.000 peak    98 spectrum    1 weight  0.10000E+01 volume  0.10079E-01 ppm1      9.393 ppm2      1.029 CV     1
 OR {   98}
   (( segid "    " and resid 113  and name HN  ))
   (  segid "    " and resid 105  and name HG2%)
 ASSI {   99}
   (( segid "    " and resid 113  and name HN  ))
   (( segid "    " and resid 105  and name HA  ))
      5.100     3.200     0.900 peak    99 spectrum    1 weight  0.10000E+01 volume  0.32673E-02 ppm1      9.382 ppm2      4.648 CV     1
 ASSI {  101}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 31   and name HA  ))
      5.500     3.700     0.500 peak   101 spectrum    1 weight  0.10000E+01 volume  0.98553E-03 ppm1      8.795 ppm2      5.935 CV     1
 ASSI {  106}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 60   and name HB1 ))
      3.700     1.700     1.700 peak   106 spectrum    1 weight  0.10000E+01 volume  0.11078E-01 ppm1      8.794 ppm2      1.012 CV     1
 ASSI {  107}
   (( segid "    " and resid 2    and name HN  ))
   (( segid "    " and resid 62   and name HN  ))
      3.300     3.300     2.700 peak   107 spectrum    1 weight  0.10000E+01 volume  0.16520E-01 ppm1      8.788 ppm2      9.219 CV     1
 ASSI {  109}
   (( segid "    " and resid 2    and name HN  ))
   (( segid "    " and resid 102  and name HA2 ))
      3.500     1.600     1.600 peak   109 spectrum    1 weight  0.10000E+01 volume  0.17224E-01 ppm1      8.785 ppm2      3.870 CV     1
 OR {  109}
   (( segid "    " and resid 2    and name HN  ))
   (( segid "    " and resid 102  and name HA1 ))
 ASSI {  111}
   (( segid "    " and resid 158  and name HN  ))
   (( segid "    " and resid 41   and name HN  ))
      3.600     1.600     1.600 peak   111 spectrum    1 weight  0.10000E+01 volume  0.69493E-02 ppm1      8.662 ppm2      8.821 CV     1
 ASSI {  113}
   (( segid "    " and resid 158  and name HN  ))
   (( segid "    " and resid 158  and name HE3 ))
      5.700     4.000     0.300 peak   113 spectrum    1 weight  0.10000E+01 volume  0.11023E-02 ppm1      8.661 ppm2      7.390 CV     1
 ASSI {  114}
   (( segid "    " and resid 158  and name HN  ))
   (( segid "    " and resid 158  and name HD1 ))
      5.400     3.600     0.600 peak   114 spectrum    1 weight  0.10000E+01 volume  0.18457E-02 ppm1      8.665 ppm2      7.268 CV     1
 ASSI {  115}
   (( segid "    " and resid 158  and name HN  ))
   (  segid "    " and resid 40   and name HD% )
      4.800     2.900     1.200 peak   115 spectrum    1 weight  0.10000E+01 volume  0.38235E-02 ppm1      8.660 ppm2      7.034 CV     1
 ASSI {  116}
   (( segid "    " and resid 158  and name HN  ))
   (( segid "    " and resid 40   and name HA  ))
      2.300     0.600     0.600 peak   116 spectrum    1 weight  0.10000E+01 volume  0.12421E-01 ppm1      8.662 ppm2      5.252 CV     1
 ASSI {  117}
   (( segid "    " and resid 158  and name HN  ))
   (( segid "    " and resid 157  and name HA  ))
      2.300     0.700     0.700 peak   117 spectrum    1 weight  0.10000E+01 volume  0.17599E-01 ppm1      8.660 ppm2      4.497 CV     1
 ASSI {  118}
   (( segid "    " and resid 158  and name HN  ))
   (( segid "    " and resid 158  and name HA  ))
      2.900     1.100     1.100 peak   118 spectrum    1 weight  0.10000E+01 volume  0.51221E-02 ppm1      8.659 ppm2      3.960 CV     1
 ASSI {  119}
   (( segid "    " and resid 158  and name HN  ))
   (( segid "    " and resid 39   and name HB2 ))
      4.500     2.500     1.500 peak   119 spectrum    1 weight  0.10000E+01 volume  0.11741E-02 ppm1      8.662 ppm2      3.365 CV     1
 ASSI {  122}
   (( segid "    " and resid 158  and name HN  ))
   (( segid "    " and resid 157  and name HB1 ))
      2.700     0.900     0.900 peak   122 spectrum    1 weight  0.10000E+01 volume  0.12232E-01 ppm1      8.663 ppm2      1.834 CV     1
 ASSI {  123}
   (( segid "    " and resid 158  and name HN  ))
   (( segid "    " and resid 157  and name HG2 ))
      3.500     1.500     1.500 peak   123 spectrum    1 weight  0.10000E+01 volume  0.12714E-01 ppm1      8.662 ppm2      1.658 CV     1
 ASSI {  124}
   (( segid "    " and resid 158  and name HN  ))
   (( segid "    " and resid 41   and name HG1 ))
      3.700     1.800     1.800 peak   124 spectrum    1 weight  0.10000E+01 volume  0.62492E-02 ppm1      8.663 ppm2      1.301 CV     1
 ASSI {  125}
   (( segid "    " and resid 158  and name HN  ))
   (( segid "    " and resid 157  and name HB2 ))
      4.500     2.600     1.500 peak   125 spectrum    1 weight  0.10000E+01 volume  0.28087E-02 ppm1      8.656 ppm2      1.988 CV     1
 ASSI {  126}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 60   and name HN  ))
      5.000     3.100     1.000 peak   126 spectrum    1 weight  0.10000E+01 volume  0.20464E-02 ppm1      8.536 ppm2      9.314 CV     1
 ASSI {  127}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 37   and name HN  ))
      4.400     2.400     1.600 peak   127 spectrum    1 weight  0.10000E+01 volume  0.68371E-02 ppm1      8.534 ppm2      9.122 CV     1
 ASSI {  132}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 58   and name HA  ))
      2.100     0.600     0.600 peak   132 spectrum    1 weight  0.10000E+01 volume  0.35336E-01 ppm1      8.534 ppm2      5.021 CV     1
 ASSI {  135}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 58   and name HB  ))
      3.000     1.200     1.200 peak   135 spectrum    1 weight  0.10000E+01 volume  0.94522E-02 ppm1      8.535 ppm2      1.973 CV     1
 ASSI {  139}
   (( segid "    " and resid 59   and name HN  ))
   (  segid "    " and resid 59   and name HB% )
      2.300     0.700     0.700 peak   139 spectrum    1 weight  0.10000E+01 volume  0.30819E-01 ppm1      8.535 ppm2      1.256 CV     1
 ASSI {  140}
   (( segid "    " and resid 59   and name HN  ))
   (  segid "    " and resid 58   and name HG2%)
      3.200     1.300     1.300 peak   140 spectrum    1 weight  0.10000E+01 volume  0.36831E-01 ppm1      8.534 ppm2      0.990 CV     1
 OR {  140}
   (( segid "    " and resid 59   and name HN  ))
   (  segid "    " and resid 58   and name HG1%)
 ASSI {  141}
   (( segid "    " and resid 59   and name HN  ))
   (  segid "    " and resid 131  and name HG2%)
      2.900     2.900     3.100 peak   141 spectrum    1 weight  0.10000E+01 volume  0.14637E-01 ppm1      8.534 ppm2      0.873 CV     1
 OR {  141}
   (( segid "    " and resid 59   and name HN  ))
   (  segid "    " and resid 131  and name HD1%)
 ASSI {  149}
   (( segid "    " and resid 99   and name HN  ))
   (( segid "    " and resid 99   and name HA  ))
      3.900     1.900     1.900 peak   149 spectrum    1 weight  0.10000E+01 volume  0.18146E-02 ppm1      9.591 ppm2      4.565 CV     1
 ASSI {  150}
   (( segid "    " and resid 99   and name HN  ))
   (( segid "    " and resid 98   and name HA  ))
      2.500     0.800     0.800 peak   150 spectrum    1 weight  0.10000E+01 volume  0.10153E-01 ppm1      9.592 ppm2      4.169 CV     1
 ASSI {  152}
   (( segid "    " and resid 99   and name HN  ))
   (( segid "    " and resid 99   and name HB2 ))
      2.800     1.000     1.000 peak   152 spectrum    1 weight  0.10000E+01 volume  0.65748E-02 ppm1      9.592 ppm2      2.279 CV     1
 ASSI {  153}
   (( segid "    " and resid 99   and name HN  ))
   (( segid "    " and resid 98   and name HB  ))
      3.900     1.900     1.900 peak   153 spectrum    1 weight  0.10000E+01 volume  0.69616E-02 ppm1      9.592 ppm2      2.093 CV     1
 ASSI {  154}
   (( segid "    " and resid 99   and name HN  ))
   (( segid "    " and resid 100  and name HB1 ))
      4.300     2.300     1.700 peak   154 spectrum    1 weight  0.10000E+01 volume  0.89088E-02 ppm1      9.593 ppm2      1.806 CV     1
 ASSI {  158}
   (( segid "    " and resid 113  and name HN  ))
   (( segid "    " and resid 108  and name HN  ))
      2.700     2.700     3.300 peak   158 spectrum    1 weight  0.10000E+01 volume  0.20679E-02 ppm1      9.394 ppm2      8.980 CV     1
 ASSI {  159}
   (( segid "    " and resid 113  and name HN  ))
   (( segid "    " and resid 107  and name HA  ))
      3.900     1.900     1.900 peak   159 spectrum    1 weight  0.10000E+01 volume  0.52607E-02 ppm1      9.389 ppm2      5.511 CV     1
 ASSI {  160}
   (( segid "    " and resid 113  and name HN  ))
   (( segid "    " and resid 112  and name HA  ))
      2.200     0.600     0.600 peak   160 spectrum    1 weight  0.10000E+01 volume  0.20783E-01 ppm1      9.391 ppm2      5.239 CV     1
 ASSI {  163}
   (( segid "    " and resid 113  and name HN  ))
   (( segid "    " and resid 113  and name HB  ))
      2.800     1.000     1.000 peak   163 spectrum    1 weight  0.10000E+01 volume  0.79782E-02 ppm1      9.389 ppm2      1.871 CV     1
 ASSI {  165}
   (( segid "    " and resid 113  and name HN  ))
   (  segid "    " and resid 113  and name HG1%)
      3.600     1.600     1.600 peak   165 spectrum    1 weight  0.10000E+01 volume  0.12692E-01 ppm1      9.393 ppm2      0.919 CV     1
 ASSI {  168}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 61   and name HN  ))
      3.500     1.500     1.500 peak   168 spectrum    1 weight  0.10000E+01 volume  0.46501E-02 ppm1      9.171 ppm2      8.796 CV     1
 ASSI {  170}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 61   and name HA  ))
      3.800     1.800     1.800 peak   170 spectrum    1 weight  0.10000E+01 volume  0.10743E-01 ppm1      9.168 ppm2      4.754 CV     1
 ASSI {  171}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 34   and name HA  ))
      3.000     1.100     1.100 peak   171 spectrum    1 weight  0.10000E+01 volume  0.82479E-02 ppm1      9.171 ppm2      4.518 CV     1
 ASSI {  177}
   (( segid "    " and resid 34   and name HN  ))
   (  segid "    " and resid 60   and name HD1%)
      3.800     1.800     1.800 peak   177 spectrum    1 weight  0.10000E+01 volume  0.17228E-01 ppm1      9.172 ppm2      0.752 CV     1
 ASSI {  179}
   (( segid "    " and resid 2    and name HN  ))
   (( segid "    " and resid 2    and name HA  ))
      2.900     1.000     1.000 peak   179 spectrum    1 weight  0.10000E+01 volume  0.92524E-02 ppm1      8.776 ppm2      4.211 CV     1
 ASSI {  181}
   (( segid "    " and resid 2    and name HN  ))
   (  segid "    " and resid 2    and name HG1%)
      4.100     2.100     1.900 peak   181 spectrum    1 weight  0.10000E+01 volume  0.87674E-02 ppm1      8.778 ppm2      0.124 CV     1
 ASSI {  183}
   (( segid "    " and resid 2    and name HN  ))
   (( segid "    " and resid 1    and name HA  ))
      2.200     0.600     0.600 peak   183 spectrum    1 weight  0.10000E+01 volume  0.25577E-01 ppm1      8.775 ppm2      3.628 CV     1
 ASSI {  184}
   (( segid "    " and resid 2    and name HN  ))
   (( segid "    " and resid 2    and name HB  ))
      2.400     0.700     0.700 peak   184 spectrum    1 weight  0.10000E+01 volume  0.23398E-01 ppm1      8.774 ppm2      1.761 CV     1
 ASSI {  185}
   (( segid "    " and resid 2    and name HN  ))
   (( segid "    " and resid 1    and name HG21))
      2.900     1.000     1.000 peak   185 spectrum    1 weight  0.10000E+01 volume  0.20076E-01 ppm1      8.775 ppm2      0.546 CV     1
 ASSI {  196}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 60   and name HB2 ))
      2.900     1.000     1.000 peak   196 spectrum    1 weight  0.10000E+01 volume  0.11958E-01 ppm1      9.325 ppm2      1.839 CV     1
 ASSI {  197}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 34   and name HB1 ))
      5.600     4.000     0.400 peak   197 spectrum    1 weight  0.10000E+01 volume  0.11045E-02 ppm1      9.326 ppm2      1.557 CV     1
 ASSI {  201}
   (( segid "    " and resid 60   and name HN  ))
   (  segid "    " and resid 2    and name HG1%)
      3.300     1.400     1.400 peak   201 spectrum    1 weight  0.10000E+01 volume  0.71774E-02 ppm1      9.325 ppm2      0.124 CV     1
 ASSI {  202}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 4    and name HA  ))
      3.900     1.900     1.900 peak   202 spectrum    1 weight  0.10000E+01 volume  0.37959E-02 ppm1      9.322 ppm2      5.554 CV     1
 ASSI {  203}
   (( segid "    " and resid 136  and name HN  ))
   (( segid "    " and resid 136  and name HA  ))
      3.000     1.100     1.100 peak   203 spectrum    1 weight  0.10000E+01 volume  0.48246E-02 ppm1      8.395 ppm2      4.519 CV     1
 ASSI {  206}
   (( segid "    " and resid 60   and name HN  ))
   (  segid "    " and resid 4    and name HD% )
      4.800     2.800     1.200 peak   206 spectrum    1 weight  0.10000E+01 volume  0.20422E-02 ppm1      9.329 ppm2      6.820 CV     1
 ASSI {  207}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 59   and name HA  ))
      2.200     0.600     0.600 peak   207 spectrum    1 weight  0.10000E+01 volume  0.29387E-01 ppm1      9.326 ppm2      4.831 CV     1
 ASSI {  208}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 2    and name HA  ))
      5.000     3.100     1.000 peak   208 spectrum    1 weight  0.10000E+01 volume  0.21971E-02 ppm1      9.325 ppm2      4.214 CV     1
 ASSI {  217}
   (( segid "    " and resid 107  and name HN  ))
   (( segid "    " and resid 107  and name HB1 ))
      3.300     1.300     1.300 peak   217 spectrum    1 weight  0.10000E+01 volume  0.34176E-01 ppm1      9.223 ppm2      2.688 CV     1
 ASSI {  219}
   (( segid "    " and resid 95   and name HN  ))
   (( segid "    " and resid 96   and name HB2 ))
      3.900     1.900     1.900 peak   219 spectrum    1 weight  0.10000E+01 volume  0.45683E-02 ppm1      9.221 ppm2      2.189 CV     1
 ASSI {  221}
   (( segid "    " and resid 107  and name HN  ))
   (( segid "    " and resid 113  and name HB  ))
      5.000     3.100     1.000 peak   221 spectrum    1 weight  0.10000E+01 volume  0.27692E-02 ppm1      9.222 ppm2      1.908 CV     1
 ASSI {  224}
   (( segid "    " and resid 107  and name HN  ))
   (( segid "    " and resid 107  and name HD21))
      3.700     1.800     1.800 peak   224 spectrum    1 weight  0.10000E+01 volume  0.21097E-02 ppm1      9.216 ppm2      7.808 CV     1
 ASSI {  225}
   (( segid "    " and resid 107  and name HN  ))
   (( segid "    " and resid 106  and name HA  ))
      2.200     0.600     0.600 peak   225 spectrum    1 weight  0.10000E+01 volume  0.41607E-01 ppm1      9.216 ppm2      4.310 CV     1
 ASSI {  227}
   (( segid "    " and resid 107  and name HN  ))
   (  segid "    " and resid 108  and name HG2%)
      3.100     3.100     2.900 peak   227 spectrum    1 weight  0.10000E+01 volume  0.13193E-01 ppm1      9.215 ppm2      1.216 CV     1
 ASSI {  233}
   (( segid "    " and resid 143  and name HN  ))
   (( segid "    " and resid 142  and name HA  ))
      2.000     0.500     0.500 peak   233 spectrum    1 weight  0.10000E+01 volume  0.28717E-01 ppm1      8.448 ppm2      4.799 CV     1
 ASSI {  234}
   (( segid "    " and resid 143  and name HN  ))
   (( segid "    " and resid 136  and name HA  ))
      3.200     1.300     1.300 peak   234 spectrum    1 weight  0.10000E+01 volume  0.99624E-02 ppm1      8.447 ppm2      4.519 CV     1
 ASSI {  235}
   (( segid "    " and resid 143  and name HN  ))
   (( segid "    " and resid 143  and name HA  ))
      3.000     1.100     1.100 peak   235 spectrum    1 weight  0.10000E+01 volume  0.62849E-02 ppm1      8.446 ppm2      4.085 CV     1
 ASSI {  238}
   (( segid "    " and resid 143  and name HN  ))
   (( segid "    " and resid 142  and name HG1 ))
      5.100     3.200     0.900 peak   238 spectrum    1 weight  0.10000E+01 volume  0.30443E-02 ppm1      8.446 ppm2      2.654 CV     1
 ASSI {  239}
   (( segid "    " and resid 143  and name HN  ))
   (( segid "    " and resid 143  and name HB2 ))
      2.700     0.900     0.900 peak   239 spectrum    1 weight  0.10000E+01 volume  0.14646E-01 ppm1      8.449 ppm2      2.221 CV     1
 ASSI {  240}
   (( segid "    " and resid 143  and name HN  ))
   (( segid "    " and resid 136  and name HB  ))
      2.400     2.400     3.600 peak   240 spectrum    1 weight  0.10000E+01 volume  0.37163E-02 ppm1      8.441 ppm2      1.933 CV     1
 ASSI {  241}
   (( segid "    " and resid 143  and name HN  ))
   (( segid "    " and resid 135  and name HB2 ))
      4.300     2.300     1.700 peak   241 spectrum    1 weight  0.10000E+01 volume  0.38887E-02 ppm1      8.446 ppm2      1.767 CV     1
 ASSI {  242}
   (( segid "    " and resid 143  and name HN  ))
   (( segid "    " and resid 135  and name HB1 ))
      2.600     0.800     0.800 peak   242 spectrum    1 weight  0.10000E+01 volume  0.13378E-01 ppm1      8.448 ppm2      1.335 CV     1
 ASSI {  245}
   (( segid "    " and resid 143  and name HN  ))
   (  segid "    " and resid 135  and name HD2%)
      3.600     3.600     2.400 peak   245 spectrum    1 weight  0.10000E+01 volume  0.46995E-02 ppm1      8.448 ppm2      0.110 CV     1
 ASSI {  247}
   (( segid "    " and resid 136  and name HN  ))
   (( segid "    " and resid 135  and name HN  ))
      4.600     2.600     1.400 peak   247 spectrum    1 weight  0.10000E+01 volume  0.44883E-02 ppm1      8.393 ppm2      7.212 CV     1
 ASSI {  248}
   (( segid "    " and resid 136  and name HN  ))
   (( segid "    " and resid 135  and name HA  ))
      2.200     0.600     0.600 peak   248 spectrum    1 weight  0.10000E+01 volume  0.33398E-01 ppm1      8.393 ppm2      3.846 CV     1
 ASSI {  249}
   (( segid "    " and resid 136  and name HN  ))
   (( segid "    " and resid 136  and name HB  ))
      2.800     0.900     0.900 peak   249 spectrum    1 weight  0.10000E+01 volume  0.13744E-01 ppm1      8.393 ppm2      1.942 CV     1
 ASSI {  250}
   (( segid "    " and resid 136  and name HN  ))
   (( segid "    " and resid 135  and name HB2 ))
      4.100     2.100     1.900 peak   250 spectrum    1 weight  0.10000E+01 volume  0.85085E-02 ppm1      8.392 ppm2      1.724 CV     1
 ASSI {  251}
   (( segid "    " and resid 136  and name HN  ))
   (( segid "    " and resid 135  and name HG  ))
      3.100     1.200     1.200 peak   251 spectrum    1 weight  0.10000E+01 volume  0.19199E-01 ppm1      8.393 ppm2      1.256 CV     1
 ASSI {  253}
   (( segid "    " and resid 136  and name HN  ))
   (  segid "    " and resid 135  and name HD1%)
      4.700     2.800     1.300 peak   253 spectrum    1 weight  0.10000E+01 volume  0.83347E-02 ppm1      8.393 ppm2      0.371 CV     1
 ASSI {  254}
   (( segid "    " and resid 136  and name HN  ))
   (  segid "    " and resid 135  and name HD2%)
      3.000     1.100     1.100 peak   254 spectrum    1 weight  0.10000E+01 volume  0.56476E-02 ppm1      8.393 ppm2      0.110 CV     1
 ASSI {  258}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 82   and name HA  ))
      2.100     0.600     0.600 peak   258 spectrum    1 weight  0.10000E+01 volume  0.23095E-01 ppm1      8.231 ppm2      4.377 CV     1
 ASSI {  259}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 92   and name HD2 ))
      3.100     1.200     1.200 peak   259 spectrum    1 weight  0.10000E+01 volume  0.58303E-02 ppm1      8.230 ppm2      3.517 CV     1
 ASSI {  261}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 83   and name HB  ))
      2.200     0.600     0.600 peak   261 spectrum    1 weight  0.10000E+01 volume  0.13671E-01 ppm1      8.231 ppm2      2.108 CV     1
 ASSI {  262}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 82   and name HG2 ))
      3.200     1.300     1.300 peak   262 spectrum    1 weight  0.10000E+01 volume  0.61051E-02 ppm1      8.234 ppm2      1.801 CV     1
 ASSI {  264}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 82   and name HG1 ))
      2.600     0.800     0.800 peak   264 spectrum    1 weight  0.10000E+01 volume  0.89425E-02 ppm1      8.232 ppm2      1.396 CV     1
 ASSI {  265}
   (( segid "    " and resid 83   and name HN  ))
   (  segid "    " and resid 83   and name HG2%)
      2.500     0.800     0.800 peak   265 spectrum    1 weight  0.10000E+01 volume  0.24399E-01 ppm1      8.232 ppm2      0.983 CV     1
 OR {  265}
   (( segid "    " and resid 83   and name HN  ))
   (  segid "    " and resid 83   and name HG1%)
 ASSI {  267}
   (( segid "    " and resid 107  and name HN  ))
   (( segid "    " and resid 108  and name HN  ))
      3.800     1.800     1.800 peak   267 spectrum    1 weight  0.10000E+01 volume  0.90031E-02 ppm1      9.216 ppm2      8.981 CV     1
 ASSI {  268}
   (( segid "    " and resid 95   and name HN  ))
   (( segid "    " and resid 8    and name HN  ))
      2.800     1.000     1.000 peak   268 spectrum    1 weight  0.10000E+01 volume  0.76392E-02 ppm1      9.211 ppm2      8.735 CV     1
 ASSI {  269}
   (( segid "    " and resid 107  and name HN  ))
   (( segid "    " and resid 107  and name HA  ))
      3.000     1.100     1.100 peak   269 spectrum    1 weight  0.10000E+01 volume  0.95836E-02 ppm1      9.216 ppm2      5.512 CV     1
 ASSI {  274}
   (( segid "    " and resid 107  and name HN  ))
   (  segid "    " and resid 106  and name HG2%)
      2.900     1.000     1.000 peak   274 spectrum    1 weight  0.10000E+01 volume  0.39228E-01 ppm1      9.214 ppm2      0.922 CV     1
 ASSI {  277}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 83   and name HB  ))
      4.200     2.200     1.800 peak   277 spectrum    1 weight  0.10000E+01 volume  0.37438E-02 ppm1      8.803 ppm2      2.100 CV     1
 ASSI {  280}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 84   and name HD1 ))
      4.600     2.600     1.400 peak   280 spectrum    1 weight  0.10000E+01 volume  0.22218E-02 ppm1      8.799 ppm2      3.223 CV     1
 OR {  280}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 84   and name HD2 ))
 ASSI {  282}
   (( segid "    " and resid 84   and name HN  ))
   (  segid "    " and resid 83   and name HG1%)
      2.800     1.000     1.000 peak   282 spectrum    1 weight  0.10000E+01 volume  0.12113E-01 ppm1      8.801 ppm2      0.972 CV     1
 OR {  282}
   (( segid "    " and resid 84   and name HN  ))
   (  segid "    " and resid 83   and name HG2%)
 ASSI {  286}
   (( segid "    " and resid 101  and name HN  ))
   (( segid "    " and resid 101  and name HA  ))
      3.100     1.200     1.200 peak   286 spectrum    1 weight  0.10000E+01 volume  0.38503E-02 ppm1      9.848 ppm2      4.569 CV     1
 ASSI {  287}
   (( segid "    " and resid 101  and name HN  ))
   (( segid "    " and resid 101  and name HB2 ))
      2.600     0.800     0.800 peak   287 spectrum    1 weight  0.10000E+01 volume  0.93118E-02 ppm1      9.849 ppm2      3.324 CV     1
 ASSI {  288}
   (( segid "    " and resid 101  and name HN  ))
   (( segid "    " and resid 101  and name HB1 ))
      2.900     1.100     1.100 peak   288 spectrum    1 weight  0.10000E+01 volume  0.71719E-02 ppm1      9.851 ppm2      2.320 CV     1
 ASSI {  290}
   (( segid "    " and resid 101  and name HN  ))
   (( segid "    " and resid 100  and name HB1 ))
      3.500     1.600     1.600 peak   290 spectrum    1 weight  0.10000E+01 volume  0.65197E-02 ppm1      9.854 ppm2      1.806 CV     1
 ASSI {  292}
   (( segid "    " and resid 101  and name HN  ))
   (  segid "    " and resid 113  and name HG2%)
      3.700     1.700     1.700 peak   292 spectrum    1 weight  0.10000E+01 volume  0.17477E-01 ppm1      9.851 ppm2      1.163 CV     1
 ASSI {  294}
   (( segid "    " and resid 101  and name HN  ))
   (  segid "    " and resid 113  and name HG1%)
      2.700     0.900     0.900 peak   294 spectrum    1 weight  0.10000E+01 volume  0.45281E-02 ppm1      9.851 ppm2      0.908 CV     1
 ASSI {  296}
   (( segid "    " and resid 97   and name HN  ))
   (( segid "    " and resid 6    and name HN  ))
      3.200     1.200     1.200 peak   296 spectrum    1 weight  0.10000E+01 volume  0.55296E-02 ppm1      8.999 ppm2      9.989 CV     1
 ASSI {  299}
   (( segid "    " and resid 97   and name HN  ))
   (( segid "    " and resid 97   and name HA  ))
      3.200     1.300     1.300 peak   299 spectrum    1 weight  0.10000E+01 volume  0.61225E-02 ppm1      8.998 ppm2      5.538 CV     1
 ASSI {  300}
   (( segid "    " and resid 97   and name HN  ))
   (( segid "    " and resid 96   and name HA  ))
      2.500     0.800     0.800 peak   300 spectrum    1 weight  0.10000E+01 volume  0.18653E-01 ppm1      8.998 ppm2      5.372 CV     1
 ASSI {  303}
   (( segid "    " and resid 97   and name HN  ))
   (( segid "    " and resid 96   and name HB2 ))
      3.600     1.600     1.600 peak   303 spectrum    1 weight  0.10000E+01 volume  0.57144E-02 ppm1      9.001 ppm2      2.147 CV     1
 ASSI {  305}
   (( segid "    " and resid 97   and name HN  ))
   (( segid "    " and resid 96   and name HB1 ))
      3.800     1.800     1.800 peak   305 spectrum    1 weight  0.10000E+01 volume  0.17829E-01 ppm1      8.998 ppm2      0.956 CV     1
 ASSI {  307}
   (( segid "    " and resid 97   and name HN  ))
   (( segid "    " and resid 97   and name HB2 ))
      3.100     1.200     1.200 peak   307 spectrum    1 weight  0.10000E+01 volume  0.67134E-02 ppm1      8.996 ppm2      2.527 CV     1
 ASSI {  308}
   (( segid "    " and resid 97   and name HN  ))
   (  segid "    " and resid 6    and name HB% )
      3.400     1.400     1.400 peak   308 spectrum    1 weight  0.10000E+01 volume  0.88807E-02 ppm1      8.997 ppm2      1.775 CV     1
 ASSI {  309}
   (( segid "    " and resid 97   and name HN  ))
   (( segid "    " and resid 96   and name HG  ))
      4.300     2.300     1.700 peak   309 spectrum    1 weight  0.10000E+01 volume  0.24414E-02 ppm1      8.994 ppm2      1.654 CV     1
 ASSI {  310}
   (( segid "    " and resid 97   and name HN  ))
   (( segid "    " and resid 5    and name HG12))
      4.400     2.400     1.600 peak   310 spectrum    1 weight  0.10000E+01 volume  0.26389E-02 ppm1      8.991 ppm2      1.606 CV     1
 OR {  310}
   (( segid "    " and resid 97   and name HN  ))
   (( segid "    " and resid 5    and name HG11))
 ASSI {  312}
   (( segid "    " and resid 88   and name HN  ))
   (( segid "    " and resid 87   and name HN  ))
      3.600     1.600     1.600 peak   312 spectrum    1 weight  0.10000E+01 volume  0.48403E-02 ppm1      8.647 ppm2      8.351 CV     1
 ASSI {  314}
   (( segid "    " and resid 88   and name HN  ))
   (( segid "    " and resid 87   and name HG2 ))
      4.200     2.200     1.800 peak   314 spectrum    1 weight  0.10000E+01 volume  0.50547E-02 ppm1      8.649 ppm2      2.332 CV     1
 OR {  314}
   (( segid "    " and resid 88   and name HN  ))
   (( segid "    " and resid 87   and name HG1 ))
 ASSI {  316}
   (( segid "    " and resid 88   and name HN  ))
   (( segid "    " and resid 88   and name HB2 ))
      2.600     0.800     0.800 peak   316 spectrum    1 weight  0.10000E+01 volume  0.11222E-01 ppm1      8.647 ppm2      1.676 CV     1
 ASSI {  319}
   (( segid "    " and resid 88   and name HN  ))
   (( segid "    " and resid 89   and name HN  ))
      3.800     1.800     1.800 peak   319 spectrum    1 weight  0.10000E+01 volume  0.11133E-02 ppm1      8.645 ppm2      9.339 CV     1
 ASSI {  322}
   (( segid "    " and resid 88   and name HN  ))
   (( segid "    " and resid 88   and name HD2 ))
      5.800     4.200     0.200 peak   322 spectrum    1 weight  0.10000E+01 volume  0.83030E-03 ppm1      8.644 ppm2      2.905 CV     1
 ASSI {  325}
   (( segid "    " and resid 112  and name HN  ))
   (( segid "    " and resid 113  and name HN  ))
      4.500     2.500     1.500 peak   325 spectrum    1 weight  0.10000E+01 volume  0.21712E-02 ppm1      9.760 ppm2      9.375 CV     1
 ASSI {  328}
   (( segid "    " and resid 112  and name HN  ))
   (( segid "    " and resid 111  and name HN  ))
      4.400     2.400     1.600 peak   328 spectrum    1 weight  0.10000E+01 volume  0.30730E-02 ppm1      9.760 ppm2      7.644 CV     1
 ASSI {  330}
   (( segid "    " and resid 112  and name HN  ))
   (( segid "    " and resid 112  and name HA  ))
      3.000     1.100     1.100 peak   330 spectrum    1 weight  0.10000E+01 volume  0.57285E-02 ppm1      9.761 ppm2      5.235 CV     1
 ASSI {  332}
   (( segid "    " and resid 112  and name HN  ))
   (( segid "    " and resid 112  and name HB  ))
      2.700     0.900     0.900 peak   332 spectrum    1 weight  0.10000E+01 volume  0.11166E-01 ppm1      9.760 ppm2      4.363 CV     1
 ASSI {  333}
   (( segid "    " and resid 112  and name HN  ))
   (( segid "    " and resid 111  and name HA  ))
      2.100     0.500     0.500 peak   333 spectrum    1 weight  0.10000E+01 volume  0.24982E-01 ppm1      9.761 ppm2      3.901 CV     1
 ASSI {  334}
   (( segid "    " and resid 112  and name HN  ))
   (  segid "    " and resid 112  and name HG2%)
      3.700     1.800     1.800 peak   334 spectrum    1 weight  0.10000E+01 volume  0.84795E-02 ppm1      9.761 ppm2      1.443 CV     1
 ASSI {  335}
   (( segid "    " and resid 112  and name HN  ))
   (( segid "    " and resid 70   and name HG  ))
      2.300     2.300     3.700 peak   335 spectrum    1 weight  0.10000E+01 volume  0.53605E-02 ppm1      9.760 ppm2      1.380 CV     1
 ASSI {  336}
   (( segid "    " and resid 112  and name HN  ))
   (( segid "    " and resid 111  and name HG  ))
      3.800     1.800     1.800 peak   336 spectrum    1 weight  0.10000E+01 volume  0.44122E-02 ppm1      9.759 ppm2      1.034 CV     1
 ASSI {  337}
   (( segid "    " and resid 112  and name HN  ))
   (( segid "    " and resid 111  and name HB1 ))
      4.100     2.100     1.900 peak   337 spectrum    1 weight  0.10000E+01 volume  0.81436E-02 ppm1      9.760 ppm2      0.916 CV     1
 ASSI {  341}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 58   and name HN  ))
      3.000     1.200     1.200 peak   341 spectrum    1 weight  0.10000E+01 volume  0.56853E-02 ppm1      9.494 ppm2      9.076 CV     1
 ASSI {  342}
   (( segid "    " and resid 5    and name HN  ))
   (  segid "    " and resid 4    and name HD% )
      4.700     2.700     1.300 peak   342 spectrum    1 weight  0.10000E+01 volume  0.32621E-02 ppm1      9.497 ppm2      6.833 CV     1
 ASSI {  343}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 4    and name HA  ))
      2.400     0.700     0.700 peak   343 spectrum    1 weight  0.10000E+01 volume  0.18506E-01 ppm1      9.497 ppm2      5.565 CV     1
 ASSI {  344}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 59   and name HA  ))
      3.700     1.700     1.700 peak   344 spectrum    1 weight  0.10000E+01 volume  0.85743E-02 ppm1      9.497 ppm2      4.851 CV     1
 ASSI {  346}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 5    and name HB  ))
      2.900     1.000     1.000 peak   346 spectrum    1 weight  0.10000E+01 volume  0.10305E-01 ppm1      9.495 ppm2      1.762 CV     1
 ASSI {  347}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 5    and name HG11))
      3.300     1.400     1.400 peak   347 spectrum    1 weight  0.10000E+01 volume  0.72361E-02 ppm1      9.495 ppm2      1.575 CV     1
 OR {  347}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 5    and name HG12))
 ASSI {  349}
   (( segid "    " and resid 5    and name HN  ))
   (  segid "    " and resid 58   and name HG2%)
      3.000     1.100     1.100 peak   349 spectrum    1 weight  0.10000E+01 volume  0.13002E-01 ppm1      9.496 ppm2      1.003 CV     1
 OR {  349}
   (( segid "    " and resid 5    and name HN  ))
   (  segid "    " and resid 58   and name HG1%)
 ASSI {  351}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 60   and name HN  ))
      4.300     2.300     1.700 peak   351 spectrum    1 weight  0.10000E+01 volume  0.46539E-02 ppm1      9.490 ppm2      9.322 CV     1
 ASSI {  352}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 58   and name HA  ))
      4.400     2.400     1.600 peak   352 spectrum    1 weight  0.10000E+01 volume  0.26974E-02 ppm1      9.489 ppm2      5.017 CV     1
 ASSI {  353}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 4    and name HB2 ))
      4.000     2.000     2.000 peak   353 spectrum    1 weight  0.10000E+01 volume  0.61244E-02 ppm1      9.491 ppm2      2.730 CV     1
 ASSI {  354}
   (( segid "    " and resid 5    and name HN  ))
   (  segid "    " and resid 57   and name HB% )
      5.100     3.200     0.900 peak   354 spectrum    1 weight  0.10000E+01 volume  0.14688E-02 ppm1      9.489 ppm2      1.359 CV     1
 ASSI {  356}
   (( segid "    " and resid 116  and name HN  ))
   (  segid "    " and resid 116  and name HD% )
      2.800     1.000     1.000 peak   356 spectrum    1 weight  0.10000E+01 volume  0.11783E-01 ppm1      8.412 ppm2      6.643 CV     1
 ASSI {  357}
   (( segid "    " and resid 116  and name HN  ))
   (( segid "    " and resid 115  and name HA  ))
      2.800     1.000     1.000 peak   357 spectrum    1 weight  0.10000E+01 volume  0.66765E-02 ppm1      8.412 ppm2      4.588 CV     1
 ASSI {  360}
   (( segid "    " and resid 116  and name HN  ))
   (( segid "    " and resid 116  and name HA  ))
      2.900     1.100     1.100 peak   360 spectrum    1 weight  0.10000E+01 volume  0.66757E-02 ppm1      8.408 ppm2      4.188 CV     1
 ASSI {  361}
   (( segid "    " and resid 116  and name HN  ))
   (( segid "    " and resid 115  and name HB1 ))
      4.100     2.100     1.900 peak   361 spectrum    1 weight  0.10000E+01 volume  0.70461E-02 ppm1      8.409 ppm2      3.013 CV     1
 ASSI {  362}
   (( segid "    " and resid 116  and name HN  ))
   (  segid "    " and resid 112  and name HG2%)
      4.100     2.100     1.900 peak   362 spectrum    1 weight  0.10000E+01 volume  0.66904E-02 ppm1      8.404 ppm2      1.459 CV     1
 ASSI {  363}
   (( segid "    " and resid 137  and name HN  ))
   (( segid "    " and resid 137  and name HB2 ))
      2.800     1.000     1.000 peak   363 spectrum    1 weight  0.10000E+01 volume  0.54926E-02 ppm1      9.232 ppm2      3.353 CV     1
 ASSI {  365}
   (( segid "    " and resid 137  and name HN  ))
   (( segid "    " and resid 136  and name HN  ))
      3.700     1.700     1.700 peak   365 spectrum    1 weight  0.10000E+01 volume  0.56403E-02 ppm1      9.227 ppm2      8.408 CV     1
 ASSI {  367}
   (( segid "    " and resid 137  and name HN  ))
   (  segid "    " and resid 137  and name HD% )
      2.500     0.800     0.800 peak   367 spectrum    1 weight  0.10000E+01 volume  0.89871E-02 ppm1      9.228 ppm2      7.328 CV     1
 ASSI {  369}
   (( segid "    " and resid 137  and name HN  ))
   (( segid "    " and resid 142  and name HA  ))
      3.000     1.100     1.100 peak   369 spectrum    1 weight  0.10000E+01 volume  0.57267E-02 ppm1      9.229 ppm2      4.787 CV     1
 ASSI {  370}
   (( segid "    " and resid 137  and name HN  ))
   (( segid "    " and resid 136  and name HA  ))
      2.100     0.600     0.600 peak   370 spectrum    1 weight  0.10000E+01 volume  0.15343E-01 ppm1      9.229 ppm2      4.503 CV     1
 ASSI {  371}
   (( segid "    " and resid 137  and name HN  ))
   (( segid "    " and resid 137  and name HA  ))
      2.800     1.000     1.000 peak   371 spectrum    1 weight  0.10000E+01 volume  0.92884E-02 ppm1      9.229 ppm2      4.311 CV     1
 ASSI {  372}
   (( segid "    " and resid 137  and name HN  ))
   (( segid "    " and resid 138  and name HD1 ))
      4.500     2.600     1.500 peak   372 spectrum    1 weight  0.10000E+01 volume  0.67862E-02 ppm1      9.226 ppm2      4.022 CV     1
 OR {  372}
   (( segid "    " and resid 137  and name HN  ))
   (( segid "    " and resid 138  and name HD2 ))
 ASSI {  373}
   (( segid "    " and resid 137  and name HN  ))
   (( segid "    " and resid 137  and name HB1 ))
      3.700     1.700     1.700 peak   373 spectrum    1 weight  0.10000E+01 volume  0.10525E-01 ppm1      9.229 ppm2      3.260 CV     1
 ASSI {  375}
   (( segid "    " and resid 137  and name HN  ))
   (( segid "    " and resid 136  and name HB  ))
      4.000     2.000     2.000 peak   375 spectrum    1 weight  0.10000E+01 volume  0.73213E-02 ppm1      9.228 ppm2      1.938 CV     1
 ASSI {  376}
   (( segid "    " and resid 137  and name HN  ))
   (  segid "    " and resid 136  and name HG2%)
      2.800     1.000     1.000 peak   376 spectrum    1 weight  0.10000E+01 volume  0.20104E-01 ppm1      9.227 ppm2      1.031 CV     1
 OR {  376}
   (( segid "    " and resid 137  and name HN  ))
   (  segid "    " and resid 136  and name HG1%)
 ASSI {  377}
   (( segid "    " and resid 137  and name HN  ))
   (  segid "    " and resid 135  and name HD2%)
      4.000     2.000     2.000 peak   377 spectrum    1 weight  0.10000E+01 volume  0.26242E-02 ppm1      9.228 ppm2      0.115 CV     1
 ASSI {  379}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 158  and name HE3 ))
      4.500     2.500     1.500 peak   379 spectrum    1 weight  0.10000E+01 volume  0.35352E-02 ppm1      8.829 ppm2      7.392 CV     1
 ASSI {  380}
   (( segid "    " and resid 41   and name HN  ))
   (  segid "    " and resid 40   and name HD% )
      4.500     2.500     1.500 peak   380 spectrum    1 weight  0.10000E+01 volume  0.42523E-02 ppm1      8.829 ppm2      7.049 CV     1
 ASSI {  382}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 41   and name HA  ))
      3.500     1.500     1.500 peak   382 spectrum    1 weight  0.10000E+01 volume  0.29876E-02 ppm1      8.832 ppm2      6.085 CV     1
 ASSI {  383}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 40   and name HA  ))
      2.300     0.700     0.700 peak   383 spectrum    1 weight  0.10000E+01 volume  0.14666E-01 ppm1      8.830 ppm2      5.251 CV     1
 ASSI {  384}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 157  and name HA  ))
      3.600     1.600     1.600 peak   384 spectrum    1 weight  0.10000E+01 volume  0.78393E-02 ppm1      8.830 ppm2      4.495 CV     1
 ASSI {  385}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 158  and name HA  ))
      3.400     1.400     1.400 peak   385 spectrum    1 weight  0.10000E+01 volume  0.37831E-02 ppm1      8.831 ppm2      3.961 CV     1
 ASSI {  387}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 41   and name HD1 ))
      4.900     3.000     1.100 peak   387 spectrum    1 weight  0.10000E+01 volume  0.79169E-02 ppm1      8.830 ppm2      2.844 CV     1
 ASSI {  388}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 40   and name HB1 ))
      3.000     1.200     1.200 peak   388 spectrum    1 weight  0.10000E+01 volume  0.90067E-02 ppm1      8.828 ppm2      2.701 CV     1
 ASSI {  389}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 41   and name HB1 ))
      2.500     0.800     0.800 peak   389 spectrum    1 weight  0.10000E+01 volume  0.16150E-01 ppm1      8.829 ppm2      1.739 CV     1
 OR {  389}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 41   and name HB2 ))
 ASSI {  390}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 155  and name HB1 ))
      3.400     1.400     1.400 peak   390 spectrum    1 weight  0.10000E+01 volume  0.11665E-01 ppm1      8.832 ppm2      1.411 CV     1
 OR {  390}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 155  and name HB2 ))
 ASSI {  392}
   (( segid "    " and resid 153  and name HN  ))
   (( segid "    " and resid 154  and name HN  ))
      3.100     1.200     1.200 peak   392 spectrum    1 weight  0.10000E+01 volume  0.78847E-02 ppm1      8.744 ppm2      8.304 CV     1
 ASSI {  393}
   (( segid "    " and resid 153  and name HN  ))
   (( segid "    " and resid 152  and name HN  ))
      3.200     1.300     1.300 peak   393 spectrum    1 weight  0.10000E+01 volume  0.58298E-02 ppm1      8.743 ppm2      7.210 CV     1
 ASSI {  394}
   (( segid "    " and resid 153  and name HN  ))
   (  segid "    " and resid 152  and name HD% )
      3.700     1.700     1.700 peak   394 spectrum    1 weight  0.10000E+01 volume  0.95926E-02 ppm1      8.745 ppm2      7.049 CV     1
 ASSI {  396}
   (( segid "    " and resid 153  and name HN  ))
   (( segid "    " and resid 151  and name HA  ))
      3.500     1.500     1.500 peak   396 spectrum    1 weight  0.10000E+01 volume  0.41947E-02 ppm1      8.743 ppm2      4.099 CV     1
 ASSI {  397}
   (( segid "    " and resid 153  and name HN  ))
   (( segid "    " and resid 152  and name HB2 ))
      3.500     1.500     1.500 peak   397 spectrum    1 weight  0.10000E+01 volume  0.11884E-01 ppm1      8.742 ppm2      3.379 CV     1
 ASSI {  399}
   (( segid "    " and resid 153  and name HN  ))
   (( segid "    " and resid 153  and name HB1 ))
      3.400     1.400     1.400 peak   399 spectrum    1 weight  0.10000E+01 volume  0.34931E-01 ppm1      8.744 ppm2      2.592 CV     1
 ASSI {  400}
   (( segid "    " and resid 153  and name HN  ))
   (( segid "    " and resid 154  and name HB1 ))
      4.400     2.400     1.600 peak   400 spectrum    1 weight  0.10000E+01 volume  0.37770E-02 ppm1      8.742 ppm2      1.420 CV     1
 OR {  400}
   (( segid "    " and resid 153  and name HN  ))
   (( segid "    " and resid 154  and name HB2 ))
 ASSI {  402}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 19   and name HA  ))
      3.900     1.900     1.900 peak   402 spectrum    1 weight  0.10000E+01 volume  0.59339E-02 ppm1      8.468 ppm2      4.601 CV     1
 ASSI {  405}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 60   and name HA  ))
      4.700     2.800     1.300 peak   405 spectrum    1 weight  0.10000E+01 volume  0.20337E-02 ppm1      9.246 ppm2      4.768 CV     1
 ASSI {  408}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 32   and name HA  ))
      2.100     0.600     0.600 peak   408 spectrum    1 weight  0.10000E+01 volume  0.29286E-01 ppm1      9.240 ppm2      4.920 CV     1
 ASSI {  409}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 26   and name HA1 ))
      4.200     2.200     1.800 peak   409 spectrum    1 weight  0.10000E+01 volume  0.11175E-01 ppm1      9.243 ppm2      3.876 CV     1
 ASSI {  410}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 32   and name HB2 ))
      4.400     2.400     1.600 peak   410 spectrum    1 weight  0.10000E+01 volume  0.64725E-02 ppm1      9.240 ppm2      3.352 CV     1
 ASSI {  411}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 32   and name HB1 ))
      3.900     1.900     1.900 peak   411 spectrum    1 weight  0.10000E+01 volume  0.88137E-02 ppm1      9.241 ppm2      3.159 CV     1
 ASSI {  412}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 33   and name HB  ))
      2.100     0.500     0.500 peak   412 spectrum    1 weight  0.10000E+01 volume  0.26804E-01 ppm1      9.241 ppm2      1.766 CV     1
 ASSI {  413}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 33   and name HG11))
      2.600     0.800     0.800 peak   413 spectrum    1 weight  0.10000E+01 volume  0.16078E-01 ppm1      9.240 ppm2      1.587 CV     1
 OR {  413}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 33   and name HG12))
 ASSI {  415}
   (( segid "    " and resid 153  and name HN  ))
   (( segid "    " and resid 126  and name HA  ))
      4.400     2.500     1.600 peak   415 spectrum    1 weight  0.10000E+01 volume  0.29556E-02 ppm1      8.748 ppm2      4.808 CV     1
 ASSI {  416}
   (( segid "    " and resid 153  and name HN  ))
   (( segid "    " and resid 154  and name HG1 ))
      5.800     4.200     0.200 peak   416 spectrum    1 weight  0.10000E+01 volume  0.22024E-02 ppm1      8.745 ppm2      0.768 CV     1
 ASSI {  419}
   (( segid "    " and resid 115  and name HN  ))
   (( segid "    " and resid 114  and name HA  ))
      2.300     0.600     0.600 peak   419 spectrum    1 weight  0.10000E+01 volume  0.13059E-01 ppm1      8.654 ppm2      5.455 CV     1
 ASSI {  420}
   (( segid "    " and resid 115  and name HN  ))
   (( segid "    " and resid 100  and name HA  ))
      4.500     2.500     1.500 peak   420 spectrum    1 weight  0.10000E+01 volume  0.37891E-02 ppm1      8.652 ppm2      4.828 CV     1
 ASSI {  422}
   (( segid "    " and resid 115  and name HN  ))
   (( segid "    " and resid 99   and name HA  ))
      2.700     0.900     0.900 peak   422 spectrum    1 weight  0.10000E+01 volume  0.13433E-01 ppm1      8.653 ppm2      4.575 CV     1
 ASSI {  423}
   (( segid "    " and resid 115  and name HN  ))
   (( segid "    " and resid 113  and name HA  ))
      2.700     2.700     3.300 peak   423 spectrum    1 weight  0.10000E+01 volume  0.11158E-01 ppm1      8.655 ppm2      4.326 CV     1
 ASSI {  424}
   (( segid "    " and resid 115  and name HN  ))
   (( segid "    " and resid 114  and name HD1 ))
      5.500     3.800     0.500 peak   424 spectrum    1 weight  0.10000E+01 volume  0.52007E-03 ppm1      8.650 ppm2      4.153 CV     1
 ASSI {  425}
   (( segid "    " and resid 115  and name HN  ))
   (( segid "    " and resid 115  and name HB2 ))
      2.900     1.000     1.000 peak   425 spectrum    1 weight  0.10000E+01 volume  0.87540E-02 ppm1      8.655 ppm2      3.782 CV     1
 ASSI {  426}
   (( segid "    " and resid 115  and name HN  ))
   (( segid "    " and resid 118  and name HG2 ))
      5.200     3.400     0.800 peak   426 spectrum    1 weight  0.10000E+01 volume  0.53122E-03 ppm1      8.651 ppm2      3.320 CV     1
 OR {  426}
   (( segid "    " and resid 115  and name HN  ))
   (( segid "    " and resid 118  and name HG1 ))
 ASSI {  428}
   (( segid "    " and resid 115  and name HN  ))
   (( segid "    " and resid 114  and name HB2 ))
      4.200     2.200     1.800 peak   428 spectrum    1 weight  0.10000E+01 volume  0.43481E-02 ppm1      8.654 ppm2      2.855 CV     1
 ASSI {  430}
   (( segid "    " and resid 115  and name HN  ))
   (( segid "    " and resid 114  and name HB1 ))
      3.900     1.900     1.900 peak   430 spectrum    1 weight  0.10000E+01 volume  0.70806E-02 ppm1      8.652 ppm2      2.096 CV     1
 ASSI {  431}
   (( segid "    " and resid 115  and name HN  ))
   (( segid "    " and resid 118  and name HB1 ))
      3.700     1.700     1.700 peak   431 spectrum    1 weight  0.10000E+01 volume  0.67281E-02 ppm1      8.653 ppm2      1.959 CV     1
 OR {  431}
   (( segid "    " and resid 115  and name HN  ))
   (( segid "    " and resid 118  and name HB2 ))
 ASSI {  434}
   (( segid "    " and resid 115  and name HN  ))
   (( segid "    " and resid 117  and name HB1 ))
      3.800     1.800     1.800 peak   434 spectrum    1 weight  0.10000E+01 volume  0.68103E-02 ppm1      8.653 ppm2      0.880 CV     1
 ASSI {  438}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 80   and name HE21))
      2.800     1.000     1.000 peak   438 spectrum    1 weight  0.10000E+01 volume  0.84888E-02 ppm1      8.477 ppm2      7.903 CV     1
 ASSI {  442}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 18   and name HA  ))
      3.300     1.300     1.300 peak   442 spectrum    1 weight  0.10000E+01 volume  0.83173E-02 ppm1      8.479 ppm2      3.425 CV     1
 ASSI {  444}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 22   and name HG  ))
      3.700     1.800     1.800 peak   444 spectrum    1 weight  0.10000E+01 volume  0.71592E-02 ppm1      8.480 ppm2      1.921 CV     1
 ASSI {  452}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 11   and name HN  ))
      2.200     0.600     0.600 peak   452 spectrum    1 weight  0.10000E+01 volume  0.13674E-01 ppm1      8.457 ppm2      6.976 CV     1
 ASSI {  455}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 37   and name HN  ))
      4.100     2.100     1.900 peak   455 spectrum    1 weight  0.10000E+01 volume  0.37643E-02 ppm1      8.317 ppm2      9.131 CV     1
 ASSI {  461}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 35   and name HA  ))
      2.300     0.600     0.600 peak   461 spectrum    1 weight  0.10000E+01 volume  0.61896E-01 ppm1      8.316 ppm2      4.624 CV     1
 ASSI {  462}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 35   and name HB  ))
      2.400     0.700     0.700 peak   462 spectrum    1 weight  0.10000E+01 volume  0.11549E-01 ppm1      8.315 ppm2      4.105 CV     1
 ASSI {  463}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 36   and name HB  ))
      2.800     1.000     1.000 peak   463 spectrum    1 weight  0.10000E+01 volume  0.26452E-01 ppm1      8.316 ppm2      1.960 CV     1
 ASSI {  464}
   (( segid "    " and resid 36   and name HN  ))
   (  segid "    " and resid 35   and name HG2%)
      3.300     1.400     1.400 peak   464 spectrum    1 weight  0.10000E+01 volume  0.37420E-01 ppm1      8.316 ppm2      1.288 CV     1
 ASSI {  471}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 27   and name HB2 ))
      5.100     3.200     0.900 peak   471 spectrum    1 weight  0.10000E+01 volume  0.48759E-02 ppm1      7.164 ppm2      2.938 CV     1
 ASSI {  475}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 27   and name HA  ))
      2.900     1.000     1.000 peak   475 spectrum    1 weight  0.10000E+01 volume  0.84163E-02 ppm1      7.160 ppm2      4.947 CV     1
 ASSI {  476}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 28   and name HA  ))
      2.500     0.800     0.800 peak   476 spectrum    1 weight  0.10000E+01 volume  0.23607E-01 ppm1      7.160 ppm2      3.821 CV     1
 ASSI {  477}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 31   and name HB2 ))
      3.300     1.300     1.300 peak   477 spectrum    1 weight  0.10000E+01 volume  0.60805E-02 ppm1      7.160 ppm2      3.628 CV     1
 OR {  477}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 31   and name HB1 ))
 ASSI {  479}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 27   and name HB1 ))
      4.500     2.600     1.500 peak   479 spectrum    1 weight  0.10000E+01 volume  0.68487E-02 ppm1      7.160 ppm2      2.592 CV     1
 ASSI {  480}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 28   and name HG11))
      3.200     1.300     1.300 peak   480 spectrum    1 weight  0.10000E+01 volume  0.10126E-01 ppm1      7.160 ppm2      2.088 CV     1
 OR {  480}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 28   and name HG12))
 ASSI {  481}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 28   and name HB  ))
      2.300     0.700     0.700 peak   481 spectrum    1 weight  0.10000E+01 volume  0.20004E-01 ppm1      7.160 ppm2      1.576 CV     1
 ASSI {  482}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 25   and name HB1 ))
      5.200     3.300     0.800 peak   482 spectrum    1 weight  0.10000E+01 volume  0.13918E-02 ppm1      7.159 ppm2      1.181 CV     1
 ASSI {  484}
   (( segid "    " and resid 28   and name HN  ))
   (  segid "    " and resid 60   and name HD1%)
      2.700     2.700     3.300 peak   484 spectrum    1 weight  0.10000E+01 volume  0.40279E-01 ppm1      7.160 ppm2      0.773 CV     1
 ASSI {  485}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 63   and name HN  ))
      2.300     0.700     0.700 peak   485 spectrum    1 weight  0.10000E+01 volume  0.17229E-01 ppm1      8.545 ppm2      8.255 CV     1
 ASSI {  486}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 31   and name HN  ))
      3.200     3.200     2.800 peak   486 spectrum    1 weight  0.10000E+01 volume  0.72873E-03 ppm1      8.544 ppm2      7.252 CV     1
 ASSI {  488}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 62   and name HA  ))
      3.400     1.500     1.500 peak   488 spectrum    1 weight  0.10000E+01 volume  0.73847E-02 ppm1      8.547 ppm2      5.522 CV     1
 ASSI {  489}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 63   and name HA  ))
      3.400     1.500     1.500 peak   489 spectrum    1 weight  0.10000E+01 volume  0.44844E-02 ppm1      8.544 ppm2      4.993 CV     1
 ASSI {  493}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 64   and name HA  ))
      2.800     1.000     1.000 peak   493 spectrum    1 weight  0.10000E+01 volume  0.10635E-01 ppm1      8.544 ppm2      4.224 CV     1
 ASSI {  494}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 63   and name HB1 ))
      3.900     1.900     1.900 peak   494 spectrum    1 weight  0.10000E+01 volume  0.52279E-02 ppm1      8.544 ppm2      4.051 CV     1
 OR {  494}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 63   and name HB2 ))
 ASSI {  495}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 62   and name HB  ))
      4.000     2.000     2.000 peak   495 spectrum    1 weight  0.10000E+01 volume  0.44890E-02 ppm1      8.546 ppm2      3.845 CV     1
 ASSI {  497}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 31   and name HB1 ))
      5.700     4.000     0.300 peak   497 spectrum    1 weight  0.10000E+01 volume  0.21312E-02 ppm1      8.545 ppm2      3.615 CV     1
 OR {  497}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 31   and name HB2 ))
 ASSI {  499}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 30   and name HG2 ))
      4.300     2.300     1.700 peak   499 spectrum    1 weight  0.10000E+01 volume  0.30481E-02 ppm1      8.545 ppm2      2.182 CV     1
 ASSI {  500}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 30   and name HB1 ))
      4.100     2.100     1.900 peak   500 spectrum    1 weight  0.10000E+01 volume  0.42124E-02 ppm1      8.545 ppm2      1.993 CV     1
 ASSI {  501}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 64   and name HB2 ))
      2.400     0.700     0.700 peak   501 spectrum    1 weight  0.10000E+01 volume  0.12644E-01 ppm1      8.546 ppm2      1.741 CV     1
 ASSI {  502}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 64   and name HB1 ))
      3.000     1.100     1.100 peak   502 spectrum    1 weight  0.10000E+01 volume  0.26075E-01 ppm1      8.544 ppm2      1.483 CV     1
 ASSI {  503}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 60   and name HG  ))
      4.900     3.000     1.100 peak   503 spectrum    1 weight  0.10000E+01 volume  0.45520E-02 ppm1      8.544 ppm2      1.301 CV     1
 ASSI {  505}
   (( segid "    " and resid 64   and name HN  ))
   (  segid "    " and resid 64   and name HD2%)
      3.300     1.300     1.300 peak   505 spectrum    1 weight  0.10000E+01 volume  0.25932E-01 ppm1      8.544 ppm2      0.729 CV     1
 OR {  505}
   (( segid "    " and resid 64   and name HN  ))
   (  segid "    " and resid 64   and name HD1%)
 ASSI {  506}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 18   and name HN  ))
      4.500     2.500     1.500 peak   506 spectrum    1 weight  0.10000E+01 volume  0.19999E-02 ppm1      8.145 ppm2      8.732 CV     1
 ASSI {  507}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 21   and name HN  ))
      2.400     0.700     0.700 peak   507 spectrum    1 weight  0.10000E+01 volume  0.24694E-01 ppm1      8.146 ppm2      8.483 CV     1
 ASSI {  508}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 80   and name HE21))
      4.000     2.000     2.000 peak   508 spectrum    1 weight  0.10000E+01 volume  0.39256E-02 ppm1      8.145 ppm2      7.892 CV     1
 ASSI {  510}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 23   and name HN  ))
      3.600     1.600     1.600 peak   510 spectrum    1 weight  0.10000E+01 volume  0.75585E-02 ppm1      8.145 ppm2      7.421 CV     1
 ASSI {  511}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 19   and name HD22))
      3.000     3.000     3.000 peak   511 spectrum    1 weight  0.10000E+01 volume  0.10580E-02 ppm1      8.145 ppm2      6.786 CV     1
 ASSI {  512}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 19   and name HA  ))
      3.500     1.500     1.500 peak   512 spectrum    1 weight  0.10000E+01 volume  0.66348E-02 ppm1      8.146 ppm2      4.585 CV     1
 ASSI {  514}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 17   and name HA  ))
      4.000     2.000     2.000 peak   514 spectrum    1 weight  0.10000E+01 volume  0.56428E-02 ppm1      8.145 ppm2      4.002 CV     1
 ASSI {  515}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 18   and name HA  ))
      4.100     2.100     1.900 peak   515 spectrum    1 weight  0.10000E+01 volume  0.28436E-02 ppm1      8.146 ppm2      3.423 CV     1
 ASSI {  516}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 19   and name HB2 ))
      2.600     0.800     0.800 peak   516 spectrum    1 weight  0.10000E+01 volume  0.12102E-01 ppm1      8.145 ppm2      2.848 CV     1
 ASSI {  517}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 19   and name HB1 ))
      3.300     1.300     1.300 peak   517 spectrum    1 weight  0.10000E+01 volume  0.12121E-01 ppm1      8.145 ppm2      2.681 CV     1
 ASSI {  519}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 17   and name HB1 ))
      4.400     2.400     1.600 peak   519 spectrum    1 weight  0.10000E+01 volume  0.47568E-02 ppm1      8.145 ppm2      2.132 CV     1
 OR {  519}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 17   and name HB2 ))
 ASSI {  520}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 23   and name HB1 ))
      4.400     2.400     1.600 peak   520 spectrum    1 weight  0.10000E+01 volume  0.49887E-02 ppm1      8.144 ppm2      1.954 CV     1
 OR {  520}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 23   and name HB2 ))
 ASSI {  528}
   (( segid "    " and resid 117  and name HN  ))
   (( segid "    " and resid 124  and name HB2 ))
      6.000     6.000     0.000 peak   528 spectrum    1 weight  0.10000E+01 volume  0.10313E-02 ppm1      8.019 ppm2      2.155 CV     1
 OR {  528}
   (( segid "    " and resid 117  and name HN  ))
   (( segid "    " and resid 124  and name HB1 ))
 ASSI {  531}
   (( segid "    " and resid 86   and name HN  ))
   (( segid "    " and resid 85   and name HA  ))
      2.600     0.800     0.800 peak   531 spectrum    1 weight  0.10000E+01 volume  0.17147E-01 ppm1      7.742 ppm2      4.434 CV     1
 ASSI {  532}
   (( segid "    " and resid 86   and name HN  ))
   (( segid "    " and resid 86   and name HA  ))
      2.800     1.000     1.000 peak   532 spectrum    1 weight  0.10000E+01 volume  0.13575E-01 ppm1      7.741 ppm2      4.306 CV     1
 ASSI {  534}
   (( segid "    " and resid 86   and name HN  ))
   (( segid "    " and resid 85   and name HB2 ))
      4.000     2.000     2.000 peak   534 spectrum    1 weight  0.10000E+01 volume  0.89186E-02 ppm1      7.742 ppm2      1.985 CV     1
 ASSI {  535}
   (( segid "    " and resid 86   and name HN  ))
   (( segid "    " and resid 85   and name HB1 ))
      3.900     1.900     1.900 peak   535 spectrum    1 weight  0.10000E+01 volume  0.75204E-02 ppm1      7.741 ppm2      1.776 CV     1
 ASSI {  541}
   (( segid "    " and resid 142  and name HN  ))
   (( segid "    " and resid 142  and name HA  ))
      2.700     0.900     0.900 peak   541 spectrum    1 weight  0.10000E+01 volume  0.88998E-02 ppm1      9.275 ppm2      4.790 CV     1
 ASSI {  542}
   (( segid "    " and resid 142  and name HN  ))
   (( segid "    " and resid 141  and name HA  ))
      1.900     0.500     0.500 peak   542 spectrum    1 weight  0.10000E+01 volume  0.46436E-01 ppm1      9.272 ppm2      4.288 CV     1
 ASSI {  543}
   (( segid "    " and resid 142  and name HN  ))
   (( segid "    " and resid 143  and name HA  ))
      5.700     4.000     0.300 peak   543 spectrum    1 weight  0.10000E+01 volume  0.72489E-03 ppm1      9.273 ppm2      4.108 CV     1
 ASSI {  544}
   (( segid "    " and resid 142  and name HN  ))
   (( segid "    " and resid 142  and name HG2 ))
      3.400     1.400     1.400 peak   544 spectrum    1 weight  0.10000E+01 volume  0.10037E-01 ppm1      9.272 ppm2      2.815 CV     1
 ASSI {  545}
   (( segid "    " and resid 142  and name HN  ))
   (( segid "    " and resid 142  and name HB2 ))
      2.200     0.600     0.600 peak   545 spectrum    1 weight  0.10000E+01 volume  0.25178E-01 ppm1      9.273 ppm2      2.270 CV     1
 ASSI {  546}
   (( segid "    " and resid 142  and name HN  ))
   (( segid "    " and resid 141  and name HG1 ))
      3.900     1.900     1.900 peak   546 spectrum    1 weight  0.10000E+01 volume  0.25360E-01 ppm1      9.272 ppm2      2.079 CV     1
 ASSI {  548}
   (( segid "    " and resid 142  and name HN  ))
   (( segid "    " and resid 146  and name HG12))
      5.600     3.900     0.400 peak   548 spectrum    1 weight  0.10000E+01 volume  0.18057E-02 ppm1      9.274 ppm2      1.605 CV     1
 ASSI {  551}
   (( segid "    " and resid 142  and name HN  ))
   (( segid "    " and resid 143  and name HN  ))
      4.300     2.300     1.700 peak   551 spectrum    1 weight  0.10000E+01 volume  0.34385E-02 ppm1      9.269 ppm2      8.440 CV     1
 ASSI {  553}
   (( segid "    " and resid 142  and name HN  ))
   (( segid "    " and resid 142  and name HG1 ))
      2.500     0.800     0.800 peak   553 spectrum    1 weight  0.10000E+01 volume  0.78520E-02 ppm1      9.270 ppm2      2.659 CV     1
 ASSI {  554}
   (( segid "    " and resid 142  and name HN  ))
   (( segid "    " and resid 145  and name HG1 ))
      4.200     2.200     1.800 peak   554 spectrum    1 weight  0.10000E+01 volume  0.46702E-02 ppm1      9.268 ppm2      2.477 CV     1
 OR {  554}
   (( segid "    " and resid 142  and name HN  ))
   (( segid "    " and resid 145  and name HG2 ))
 ASSI {  555}
   (( segid "    " and resid 117  and name HN  ))
   (( segid "    " and resid 116  and name HN  ))
      4.900     3.000     1.100 peak   555 spectrum    1 weight  0.10000E+01 volume  0.98877E-03 ppm1      8.015 ppm2      8.410 CV     1
 ASSI {  556}
   (( segid "    " and resid 117  and name HN  ))
   (( segid "    " and resid 118  and name HN  ))
      2.200     0.600     0.600 peak   556 spectrum    1 weight  0.10000E+01 volume  0.15384E-01 ppm1      8.009 ppm2      7.545 CV     1
 ASSI {  559}
   (( segid "    " and resid 117  and name HN  ))
   (( segid "    " and resid 120  and name HD22))
      3.800     1.800     1.800 peak   559 spectrum    1 weight  0.10000E+01 volume  0.62041E-02 ppm1      8.011 ppm2      6.889 CV     1
 ASSI {  560}
   (( segid "    " and resid 117  and name HN  ))
   (  segid "    " and resid 116  and name HD% )
      4.000     2.000     2.000 peak   560 spectrum    1 weight  0.10000E+01 volume  0.57240E-02 ppm1      8.011 ppm2      6.640 CV     1
 ASSI {  561}
   (( segid "    " and resid 117  and name HN  ))
   (( segid "    " and resid 117  and name HA  ))
      3.000     1.200     1.200 peak   561 spectrum    1 weight  0.10000E+01 volume  0.53623E-02 ppm1      8.011 ppm2      5.085 CV     1
 ASSI {  563}
   (( segid "    " and resid 117  and name HN  ))
   (( segid "    " and resid 118  and name HA  ))
      5.700     4.100     0.300 peak   563 spectrum    1 weight  0.10000E+01 volume  0.88219E-03 ppm1      8.011 ppm2      3.869 CV     1
 ASSI {  564}
   (( segid "    " and resid 117  and name HN  ))
   (( segid "    " and resid 118  and name HG2 ))
      4.600     2.600     1.400 peak   564 spectrum    1 weight  0.10000E+01 volume  0.15873E-02 ppm1      8.008 ppm2      3.322 CV     1
 OR {  564}
   (( segid "    " and resid 117  and name HN  ))
   (( segid "    " and resid 118  and name HG1 ))
 ASSI {  567}
   (( segid "    " and resid 117  and name HN  ))
   (( segid "    " and resid 119  and name HG2 ))
      3.300     1.400     1.400 peak   567 spectrum    1 weight  0.10000E+01 volume  0.20139E-02 ppm1      8.012 ppm2      1.337 CV     1
 ASSI {  568}
   (( segid "    " and resid 117  and name HN  ))
   (( segid "    " and resid 117  and name HB1 ))
      3.300     1.400     1.400 peak   568 spectrum    1 weight  0.10000E+01 volume  0.69670E-02 ppm1      8.010 ppm2      0.873 CV     1
 ASSI {  569}
   (( segid "    " and resid 117  and name HN  ))
   (( segid "    " and resid 116  and name HA  ))
      3.800     1.800     1.800 peak   569 spectrum    1 weight  0.10000E+01 volume  0.59028E-03 ppm1      8.004 ppm2      4.204 CV     1
 ASSI {  581}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 40   and name HN  ))
      3.100     1.200     1.200 peak   581 spectrum    1 weight  0.10000E+01 volume  0.53756E-02 ppm1      9.401 ppm2      9.109 CV     1
 ASSI {  582}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 158  and name HE3 ))
      5.500     3.800     0.500 peak   582 spectrum    1 weight  0.10000E+01 volume  0.98122E-03 ppm1      9.409 ppm2      7.396 CV     1
 ASSI {  585}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 55   and name HA  ))
      3.400     1.400     1.400 peak   585 spectrum    1 weight  0.10000E+01 volume  0.37576E-02 ppm1      9.405 ppm2      6.220 CV     1
 ASSI {  586}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 54   and name HA  ))
      2.500     0.800     0.800 peak   586 spectrum    1 weight  0.10000E+01 volume  0.15218E-01 ppm1      9.405 ppm2      5.479 CV     1
 ASSI {  592}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 54   and name HB2 ))
      3.900     1.900     1.900 peak   592 spectrum    1 weight  0.10000E+01 volume  0.86679E-02 ppm1      9.409 ppm2      0.958 CV     1
 ASSI {  593}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 54   and name HB1 ))
      5.400     3.700     0.600 peak   593 spectrum    1 weight  0.10000E+01 volume  0.11098E-02 ppm1      9.403 ppm2      0.375 CV     1
 ASSI {  594}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 54   and name HG  ))
      2.700     0.900     0.900 peak   594 spectrum    1 weight  0.10000E+01 volume  0.11065E-01 ppm1      9.404 ppm2      0.231 CV     1
 ASSI {  595}
   (( segid "    " and resid 55   and name HN  ))
   (  segid "    " and resid 54   and name HD2%)
      4.000     2.000     2.000 peak   595 spectrum    1 weight  0.10000E+01 volume  0.28240E-02 ppm1      9.405 ppm2     -0.641 CV     1
 OR {  595}
   (( segid "    " and resid 55   and name HN  ))
   (  segid "    " and resid 54   and name HD1%)
 ASSI {  597}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 41   and name HA  ))
      4.500     2.500     1.500 peak   597 spectrum    1 weight  0.10000E+01 volume  0.16624E-02 ppm1      9.396 ppm2      6.067 CV     1
 ASSI {  600}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 58   and name HA  ))
      3.100     1.200     1.200 peak   600 spectrum    1 weight  0.10000E+01 volume  0.13892E-01 ppm1      9.128 ppm2      5.039 CV     1
 ASSI {  601}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 36   and name HA  ))
      2.100     0.500     0.500 peak   601 spectrum    1 weight  0.10000E+01 volume  0.28497E-01 ppm1      9.129 ppm2      4.835 CV     1
 ASSI {  603}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 37   and name HA  ))
      3.100     1.200     1.200 peak   603 spectrum    1 weight  0.10000E+01 volume  0.69657E-02 ppm1      9.128 ppm2      4.265 CV     1
 ASSI {  604}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 37   and name HB1 ))
      2.600     0.900     0.900 peak   604 spectrum    1 weight  0.10000E+01 volume  0.94981E-02 ppm1      9.128 ppm2      4.077 CV     1
 ASSI {  607}
   (( segid "    " and resid 37   and name HN  ))
   (  segid "    " and resid 36   and name HG1%)
      4.100     2.100     1.900 peak   607 spectrum    1 weight  0.10000E+01 volume  0.12534E-01 ppm1      9.128 ppm2      1.105 CV     1
 ASSI {  610}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 57   and name HN  ))
      4.200     2.200     1.800 peak   610 spectrum    1 weight  0.10000E+01 volume  0.42371E-02 ppm1      9.127 ppm2      9.504 CV     1
 ASSI {  614}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 82   and name HD2 ))
      5.700     4.000     0.300 peak   614 spectrum    1 weight  0.10000E+01 volume  0.22285E-02 ppm1      8.212 ppm2      3.345 CV     1
 ASSI {  618}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 57   and name HA  ))
      4.100     2.100     1.900 peak   618 spectrum    1 weight  0.10000E+01 volume  0.41920E-02 ppm1      8.978 ppm2      5.667 CV     1
 ASSI {  621}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 7    and name HG11))
      4.400     2.400     1.600 peak   621 spectrum    1 weight  0.10000E+01 volume  0.46553E-02 ppm1      8.982 ppm2      1.569 CV     1
 OR {  621}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 7    and name HG12))
 ASSI {  622}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 96   and name HB1 ))
      4.200     2.200     1.800 peak   622 spectrum    1 weight  0.10000E+01 volume  0.48380E-02 ppm1      8.982 ppm2      0.973 CV     1
 ASSI {  625}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 66   and name HD1 ))
      5.400     3.700     0.600 peak   625 spectrum    1 weight  0.10000E+01 volume  0.24581E-02 ppm1      8.391 ppm2      3.404 CV     1
 ASSI {  626}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 64   and name HB2 ))
      4.200     2.200     1.800 peak   626 spectrum    1 weight  0.10000E+01 volume  0.63041E-02 ppm1      8.387 ppm2      1.741 CV     1
 ASSI {  628}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 81   and name HN  ))
      2.800     1.000     1.000 peak   628 spectrum    1 weight  0.10000E+01 volume  0.14225E-01 ppm1      8.212 ppm2      7.931 CV     1
 ASSI {  629}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 80   and name HN  ))
      4.000     2.000     2.000 peak   629 spectrum    1 weight  0.10000E+01 volume  0.36182E-02 ppm1      8.215 ppm2      7.638 CV     1
 ASSI {  631}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 81   and name HA1 ))
      3.900     1.900     1.900 peak   631 spectrum    1 weight  0.10000E+01 volume  0.82825E-02 ppm1      8.211 ppm2      3.823 CV     1
 ASSI {  632}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 82   and name HD1 ))
      5.400     3.700     0.600 peak   632 spectrum    1 weight  0.10000E+01 volume  0.24519E-02 ppm1      8.210 ppm2      3.516 CV     1
 ASSI {  633}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 77   and name HB2 ))
      6.000     4.500     0.000 peak   633 spectrum    1 weight  0.10000E+01 volume  0.11643E-02 ppm1      8.213 ppm2      2.597 CV     1
 ASSI {  635}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 82   and name HB1 ))
      2.300     0.700     0.700 peak   635 spectrum    1 weight  0.10000E+01 volume  0.26974E-01 ppm1      8.213 ppm2      1.586 CV     1
 OR {  635}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 82   and name HB2 ))
 ASSI {  636}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 82   and name HG1 ))
      4.000     2.000     2.000 peak   636 spectrum    1 weight  0.10000E+01 volume  0.96979E-02 ppm1      8.211 ppm2      1.403 CV     1
 ASSI {  641}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 38   and name HN  ))
      4.400     2.400     1.600 peak   641 spectrum    1 weight  0.10000E+01 volume  0.55926E-02 ppm1      9.499 ppm2      9.320 CV     1
 ASSI {  642}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 58   and name HN  ))
      3.400     1.500     1.500 peak   642 spectrum    1 weight  0.10000E+01 volume  0.13047E-01 ppm1      9.499 ppm2      9.105 CV     1
 ASSI {  643}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 56   and name HN  ))
      4.900     3.100     1.100 peak   643 spectrum    1 weight  0.10000E+01 volume  0.92623E-03 ppm1      9.497 ppm2      8.938 CV     1
 ASSI {  645}
   (( segid "    " and resid 57   and name HN  ))
   (  segid "    " and resid 40   and name HD% )
      3.700     1.700     1.700 peak   645 spectrum    1 weight  0.10000E+01 volume  0.14611E-01 ppm1      9.500 ppm2      7.033 CV     1
 ASSI {  647}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 57   and name HA  ))
      2.900     1.000     1.000 peak   647 spectrum    1 weight  0.10000E+01 volume  0.59078E-02 ppm1      9.497 ppm2      5.663 CV     1
 ASSI {  648}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 37   and name HB2 ))
      4.300     2.300     1.700 peak   648 spectrum    1 weight  0.10000E+01 volume  0.64130E-02 ppm1      9.500 ppm2      5.116 CV     1
 ASSI {  649}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 56   and name HA  ))
      2.100     0.500     0.500 peak   649 spectrum    1 weight  0.10000E+01 volume  0.23215E-01 ppm1      9.499 ppm2      4.921 CV     1
 ASSI {  650}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 127  and name HA  ))
      5.400     3.700     0.600 peak   650 spectrum    1 weight  0.10000E+01 volume  0.25290E-02 ppm1      9.499 ppm2      4.526 CV     1
 ASSI {  652}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 127  and name HB2 ))
      2.300     0.600     0.600 peak   652 spectrum    1 weight  0.10000E+01 volume  0.58521E-02 ppm1      9.501 ppm2      2.696 CV     1
 ASSI {  653}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 127  and name HB1 ))
      3.000     1.100     1.100 peak   653 spectrum    1 weight  0.10000E+01 volume  0.58292E-02 ppm1      9.499 ppm2      1.952 CV     1
 ASSI {  654}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 127  and name HG1 ))
      5.300     3.500     0.700 peak   654 spectrum    1 weight  0.10000E+01 volume  0.21343E-02 ppm1      9.499 ppm2      1.576 CV     1
 ASSI {  657}
   (( segid "    " and resid 57   and name HN  ))
   (  segid "    " and resid 131  and name HG2%)
      4.100     2.100     1.900 peak   657 spectrum    1 weight  0.10000E+01 volume  0.70809E-02 ppm1      9.498 ppm2      0.837 CV     1
 ASSI {  660}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 54   and name HA  ))
      5.300     3.500     0.700 peak   660 spectrum    1 weight  0.10000E+01 volume  0.56049E-03 ppm1      9.114 ppm2      5.467 CV     1
 ASSI {  661}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 41   and name HN  ))
      5.100     3.200     0.900 peak   661 spectrum    1 weight  0.10000E+01 volume  0.10173E-02 ppm1      9.114 ppm2      8.830 CV     1
 ASSI {  663}
   (( segid "    " and resid 40   and name HN  ))
   (  segid "    " and resid 40   and name HD% )
      2.600     0.800     0.800 peak   663 spectrum    1 weight  0.10000E+01 volume  0.24300E-01 ppm1      9.111 ppm2      7.021 CV     1
 ASSI {  665}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 39   and name HA  ))
      2.300     0.700     0.700 peak   665 spectrum    1 weight  0.10000E+01 volume  0.18408E-01 ppm1      9.112 ppm2      5.243 CV     1
 ASSI {  666}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 157  and name HA  ))
      4.600     2.600     1.400 peak   666 spectrum    1 weight  0.10000E+01 volume  0.33095E-02 ppm1      9.109 ppm2      4.487 CV     1
 ASSI {  667}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 39   and name HB2 ))
      4.300     2.300     1.700 peak   667 spectrum    1 weight  0.10000E+01 volume  0.53703E-02 ppm1      9.112 ppm2      3.359 CV     1
 ASSI {  669}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 40   and name HB1 ))
      3.400     1.400     1.400 peak   669 spectrum    1 weight  0.10000E+01 volume  0.13260E-01 ppm1      9.111 ppm2      2.704 CV     1
 ASSI {  671}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 54   and name HG  ))
      2.500     0.800     0.800 peak   671 spectrum    1 weight  0.10000E+01 volume  0.75454E-02 ppm1      9.113 ppm2      0.227 CV     1
 ASSI {  673}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 6    and name HA  ))
      2.500     0.800     0.800 peak   673 spectrum    1 weight  0.10000E+01 volume  0.13650E-01 ppm1      8.978 ppm2      5.034 CV     1
 ASSI {  674}
   (( segid "    " and resid 7    and name HN  ))
   (  segid "    " and resid 6    and name HB% )
      3.800     1.800     1.800 peak   674 spectrum    1 weight  0.10000E+01 volume  0.61408E-02 ppm1      8.980 ppm2      1.763 CV     1
 ASSI {  675}
   (( segid "    " and resid 7    and name HN  ))
   (  segid "    " and resid 56   and name HB% )
      3.100     3.100     2.900 peak   675 spectrum    1 weight  0.10000E+01 volume  0.18994E-01 ppm1      8.977 ppm2      1.440 CV     1
 ASSI {  676}
   (( segid "    " and resid 7    and name HN  ))
   (  segid "    " and resid 7    and name HG2%)
      3.700     1.800     1.800 peak   676 spectrum    1 weight  0.10000E+01 volume  0.13236E-01 ppm1      8.979 ppm2      0.806 CV     1
 ASSI {  680}
   (( segid "    " and resid 157  and name HN  ))
   (  segid "    " and resid 40   and name HD% )
      3.800     1.800     1.800 peak   680 spectrum    1 weight  0.10000E+01 volume  0.37355E-02 ppm1      8.783 ppm2      7.047 CV     1
 ASSI {  681}
   (( segid "    " and resid 157  and name HN  ))
   (( segid "    " and resid 40   and name HA  ))
      4.900     3.000     1.100 peak   681 spectrum    1 weight  0.10000E+01 volume  0.24381E-02 ppm1      8.785 ppm2      5.254 CV     1
 ASSI {  682}
   (( segid "    " and resid 157  and name HN  ))
   (( segid "    " and resid 156  and name HA  ))
      2.100     0.500     0.500 peak   682 spectrum    1 weight  0.10000E+01 volume  0.58182E-01 ppm1      8.785 ppm2      4.941 CV     1
 ASSI {  683}
   (( segid "    " and resid 157  and name HN  ))
   (( segid "    " and resid 157  and name HA  ))
      2.700     0.900     0.900 peak   683 spectrum    1 weight  0.10000E+01 volume  0.11248E-01 ppm1      8.785 ppm2      4.488 CV     1
 ASSI {  684}
   (( segid "    " and resid 157  and name HN  ))
   (( segid "    " and resid 156  and name HB2 ))
      2.700     0.900     0.900 peak   684 spectrum    1 weight  0.10000E+01 volume  0.29947E-01 ppm1      8.785 ppm2      2.862 CV     1
 OR {  684}
   (( segid "    " and resid 157  and name HN  ))
   (( segid "    " and resid 156  and name HB1 ))
 ASSI {  685}
   (( segid "    " and resid 157  and name HN  ))
   (( segid "    " and resid 157  and name HB2 ))
      2.500     0.800     0.800 peak   685 spectrum    1 weight  0.10000E+01 volume  0.15573E-01 ppm1      8.785 ppm2      1.992 CV     1
 ASSI {  686}
   (( segid "    " and resid 157  and name HN  ))
   (( segid "    " and resid 157  and name HB1 ))
      3.200     1.300     1.300 peak   686 spectrum    1 weight  0.10000E+01 volume  0.30518E-01 ppm1      8.785 ppm2      1.824 CV     1
 ASSI {  687}
   (( segid "    " and resid 157  and name HN  ))
   (( segid "    " and resid 157  and name HG2 ))
      3.100     1.200     1.200 peak   687 spectrum    1 weight  0.10000E+01 volume  0.31435E-01 ppm1      8.785 ppm2      1.632 CV     1
 ASSI {  688}
   (( segid "    " and resid 157  and name HN  ))
   (( segid "    " and resid 157  and name HG1 ))
      2.300     0.700     0.700 peak   688 spectrum    1 weight  0.10000E+01 volume  0.15575E-01 ppm1      8.785 ppm2      1.299 CV     1
 ASSI {  692}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 65   and name HA  ))
      2.800     1.000     1.000 peak   692 spectrum    1 weight  0.10000E+01 volume  0.12641E-01 ppm1      8.387 ppm2      4.612 CV     1
 ASSI {  694}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 64   and name HA  ))
      2.300     0.600     0.600 peak   694 spectrum    1 weight  0.10000E+01 volume  0.25448E-01 ppm1      8.387 ppm2      4.228 CV     1
 ASSI {  695}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 63   and name HB1 ))
      4.100     2.100     1.900 peak   695 spectrum    1 weight  0.10000E+01 volume  0.17248E-03 ppm1      8.388 ppm2      4.061 CV     1
 OR {  695}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 63   and name HB2 ))
 ASSI {  696}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 68   and name HG2 ))
      4.000     2.000     2.000 peak   696 spectrum    1 weight  0.10000E+01 volume  0.56865E-02 ppm1      8.386 ppm2      2.405 CV     1
 OR {  696}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 68   and name HG1 ))
 ASSI {  697}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 69   and name HB2 ))
      3.100     3.100     2.900 peak   697 spectrum    1 weight  0.10000E+01 volume  0.14159E-01 ppm1      8.387 ppm2      2.215 CV     1
 ASSI {  698}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 67   and name HG1 ))
      5.700     4.100     0.300 peak   698 spectrum    1 weight  0.10000E+01 volume  0.10231E-02 ppm1      8.388 ppm2      2.015 CV     1
 ASSI {  699}
   (( segid "    " and resid 65   and name HN  ))
   (  segid "    " and resid 65   and name HB% )
      2.200     0.600     0.600 peak   699 spectrum    1 weight  0.10000E+01 volume  0.49999E-01 ppm1      8.387 ppm2      1.458 CV     1
 ASSI {  702}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 64   and name HG  ))
      3.600     1.700     1.700 peak   702 spectrum    1 weight  0.10000E+01 volume  0.20771E-01 ppm1      8.388 ppm2      0.743 CV     1
 ASSI {  703}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 66   and name HD2 ))
      5.800     4.200     0.200 peak   703 spectrum    1 weight  0.10000E+01 volume  0.21012E-02 ppm1      8.384 ppm2      3.626 CV     1
 ASSI {  706}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 30   and name HG2 ))
      4.500     2.600     1.500 peak   706 spectrum    1 weight  0.10000E+01 volume  0.37797E-02 ppm1      8.261 ppm2      2.175 CV     1
 ASSI {  708}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 64   and name HB2 ))
      4.000     2.000     2.000 peak   708 spectrum    1 weight  0.10000E+01 volume  0.77338E-02 ppm1      8.245 ppm2      1.778 CV     1
 ASSI {  710}
   (( segid "    " and resid 146  and name HN  ))
   (( segid "    " and resid 147  and name HN  ))
      2.500     0.800     0.800 peak   710 spectrum    1 weight  0.10000E+01 volume  0.11234E-01 ppm1      7.881 ppm2      7.464 CV     1
 ASSI {  712}
   (( segid "    " and resid 146  and name HN  ))
   (( segid "    " and resid 145  and name HN  ))
      2.400     0.700     0.700 peak   712 spectrum    1 weight  0.10000E+01 volume  0.14775E-01 ppm1      7.880 ppm2      6.770 CV     1
 ASSI {  713}
   (( segid "    " and resid 146  and name HN  ))
   (( segid "    " and resid 142  and name HA  ))
      4.000     2.000     2.000 peak   713 spectrum    1 weight  0.10000E+01 volume  0.29085E-02 ppm1      7.884 ppm2      4.802 CV     1
 ASSI {  714}
   (( segid "    " and resid 146  and name HN  ))
   (( segid "    " and resid 145  and name HA  ))
      3.600     1.600     1.600 peak   714 spectrum    1 weight  0.10000E+01 volume  0.41507E-02 ppm1      7.879 ppm2      4.251 CV     1
 ASSI {  715}
   (( segid "    " and resid 146  and name HN  ))
   (( segid "    " and resid 143  and name HA  ))
      3.400     1.500     1.500 peak   715 spectrum    1 weight  0.10000E+01 volume  0.42020E-02 ppm1      7.880 ppm2      4.078 CV     1
 ASSI {  716}
   (( segid "    " and resid 146  and name HN  ))
   (( segid "    " and resid 146  and name HA  ))
      2.900     1.100     1.100 peak   716 spectrum    1 weight  0.10000E+01 volume  0.88495E-02 ppm1      7.881 ppm2      3.658 CV     1
 ASSI {  717}
   (( segid "    " and resid 146  and name HN  ))
   (( segid "    " and resid 144  and name HA  ))
      5.200     3.400     0.800 peak   717 spectrum    1 weight  0.10000E+01 volume  0.47271E-03 ppm1      7.881 ppm2      3.518 CV     1
 ASSI {  719}
   (( segid "    " and resid 146  and name HN  ))
   (( segid "    " and resid 145  and name HB1 ))
      2.600     0.800     0.800 peak   719 spectrum    1 weight  0.10000E+01 volume  0.19308E-01 ppm1      7.881 ppm2      2.282 CV     1
 OR {  719}
   (( segid "    " and resid 146  and name HN  ))
   (( segid "    " and resid 145  and name HB2 ))
 ASSI {  720}
   (( segid "    " and resid 146  and name HN  ))
   (( segid "    " and resid 142  and name HB1 ))
      2.300     2.300     3.700 peak   720 spectrum    1 weight  0.10000E+01 volume  0.56980E-02 ppm1      7.883 ppm2      2.085 CV     1
 ASSI {  723}
   (( segid "    " and resid 146  and name HN  ))
   (( segid "    " and resid 146  and name HG11))
      1.900     0.500     0.500 peak   723 spectrum    1 weight  0.10000E+01 volume  0.17019E-01 ppm1      7.880 ppm2      0.965 CV     1
 ASSI {  724}
   (( segid "    " and resid 146  and name HN  ))
   (  segid "    " and resid 146  and name HG2%)
      3.800     1.800     1.800 peak   724 spectrum    1 weight  0.10000E+01 volume  0.10666E-01 ppm1      7.881 ppm2      0.739 CV     1
 ASSI {  729}
   (( segid "    " and resid 135  and name HN  ))
   (( segid "    " and resid 136  and name HB  ))
      6.000     6.000     0.000 peak   729 spectrum    1 weight  0.10000E+01 volume  0.15161E-03 ppm1      7.220 ppm2      1.970 CV     1
 ASSI {  731}
   (( segid "    " and resid 135  and name HN  ))
   (  segid "    " and resid 135  and name HD1%)
      4.700     2.700     1.300 peak   731 spectrum    1 weight  0.10000E+01 volume  0.66136E-02 ppm1      7.219 ppm2      0.366 CV     1
 ASSI {  732}
   (( segid "    " and resid 135  and name HN  ))
   (  segid "    " and resid 135  and name HD2%)
      5.000     3.100     1.000 peak   732 spectrum    1 weight  0.10000E+01 volume  0.42164E-02 ppm1      7.218 ppm2      0.116 CV     1
 ASSI {  733}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 53   and name HN  ))
      5.100     3.200     0.900 peak   733 spectrum    1 weight  0.10000E+01 volume  0.99399E-03 ppm1      8.557 ppm2      8.851 CV     1
 ASSI {  737}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 53   and name HB2 ))
      4.200     2.200     1.800 peak   737 spectrum    1 weight  0.10000E+01 volume  0.88919E-03 ppm1      8.557 ppm2      2.887 CV     1
 ASSI {  738}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 53   and name HB1 ))
      4.000     2.000     2.000 peak   738 spectrum    1 weight  0.10000E+01 volume  0.74009E-02 ppm1      8.556 ppm2      2.234 CV     1
 ASSI {  739}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 14   and name HB1 ))
      3.900     1.900     1.900 peak   739 spectrum    1 weight  0.10000E+01 volume  0.53987E-03 ppm1      8.559 ppm2      1.865 CV     1
 ASSI {  740}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 54   and name HB2 ))
      3.000     1.100     1.100 peak   740 spectrum    1 weight  0.10000E+01 volume  0.67149E-02 ppm1      8.556 ppm2      0.958 CV     1
 ASSI {  741}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 54   and name HB1 ))
      2.900     1.100     1.100 peak   741 spectrum    1 weight  0.10000E+01 volume  0.39472E-02 ppm1      8.558 ppm2      0.377 CV     1
 ASSI {  743}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 10   and name HA  ))
      6.000     4.600     0.000 peak   743 spectrum    1 weight  0.10000E+01 volume  0.69825E-03 ppm1      8.551 ppm2      4.645 CV     1
 ASSI {  744}
   (( segid "    " and resid 54   and name HN  ))
   (  segid "    " and resid 18   and name HG2%)
      4.500     2.500     1.500 peak   744 spectrum    1 weight  0.10000E+01 volume  0.29805E-02 ppm1      8.551 ppm2      0.619 CV     1
 ASSI {  745}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 62   and name HN  ))
      4.400     2.400     1.600 peak   745 spectrum    1 weight  0.10000E+01 volume  0.22092E-02 ppm1      8.259 ppm2      9.213 CV     1
 ASSI {  747}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 31   and name HN  ))
      3.500     1.500     1.500 peak   747 spectrum    1 weight  0.10000E+01 volume  0.44128E-03 ppm1      8.262 ppm2      7.274 CV     1
 ASSI {  748}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 31   and name HA  ))
      3.700     1.700     1.700 peak   748 spectrum    1 weight  0.10000E+01 volume  0.97150E-02 ppm1      8.257 ppm2      5.912 CV     1
 ASSI {  749}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 62   and name HA  ))
      2.100     0.500     0.500 peak   749 spectrum    1 weight  0.10000E+01 volume  0.20827E-01 ppm1      8.259 ppm2      5.515 CV     1
 ASSI {  750}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 63   and name HA  ))
      3.100     1.200     1.200 peak   750 spectrum    1 weight  0.10000E+01 volume  0.67629E-02 ppm1      8.258 ppm2      4.981 CV     1
 ASSI {  752}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 63   and name HB1 ))
      2.700     0.900     0.900 peak   752 spectrum    1 weight  0.10000E+01 volume  0.14178E-01 ppm1      8.258 ppm2      4.062 CV     1
 OR {  752}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 63   and name HB2 ))
 ASSI {  753}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 62   and name HB  ))
      3.600     1.600     1.600 peak   753 spectrum    1 weight  0.10000E+01 volume  0.10571E-01 ppm1      8.258 ppm2      3.834 CV     1
 ASSI {  754}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 31   and name HB1 ))
      5.000     3.100     1.000 peak   754 spectrum    1 weight  0.10000E+01 volume  0.45205E-02 ppm1      8.261 ppm2      3.592 CV     1
 OR {  754}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 31   and name HB2 ))
 ASSI {  756}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 30   and name HB1 ))
      4.000     2.000     2.000 peak   756 spectrum    1 weight  0.10000E+01 volume  0.61587E-02 ppm1      8.260 ppm2      2.005 CV     1
 ASSI {  757}
   (( segid "    " and resid 63   and name HN  ))
   (  segid "    " and resid 62   and name HG2%)
      4.000     2.000     2.000 peak   757 spectrum    1 weight  0.10000E+01 volume  0.59470E-02 ppm1      8.259 ppm2      1.096 CV     1
 ASSI {  758}
   (( segid "    " and resid 63   and name HN  ))
   (  segid "    " and resid 64   and name HD2%)
      4.600     2.600     1.400 peak   758 spectrum    1 weight  0.10000E+01 volume  0.10068E-01 ppm1      8.260 ppm2      0.729 CV     1
 OR {  758}
   (( segid "    " and resid 63   and name HN  ))
   (  segid "    " and resid 64   and name HD1%)
 ASSI {  760}
   (( segid "    " and resid 135  and name HN  ))
   (( segid "    " and resid 134  and name HN  ))
      2.600     0.900     0.900 peak   760 spectrum    1 weight  0.10000E+01 volume  0.15577E-01 ppm1      7.220 ppm2      8.281 CV     1
 ASSI {  762}
   (( segid "    " and resid 135  and name HN  ))
   (( segid "    " and resid 142  and name HA  ))
      3.600     3.600     2.400 peak   762 spectrum    1 weight  0.10000E+01 volume  0.12370E-01 ppm1      7.220 ppm2      4.803 CV     1
 ASSI {  763}
   (( segid "    " and resid 135  and name HN  ))
   (( segid "    " and resid 134  and name HA  ))
      3.200     1.300     1.300 peak   763 spectrum    1 weight  0.10000E+01 volume  0.65029E-02 ppm1      7.220 ppm2      4.548 CV     1
 ASSI {  764}
   (( segid "    " and resid 135  and name HN  ))
   (( segid "    " and resid 135  and name HA  ))
      2.900     1.000     1.000 peak   764 spectrum    1 weight  0.10000E+01 volume  0.13813E-01 ppm1      7.219 ppm2      3.844 CV     1
 ASSI {  765}
   (( segid "    " and resid 135  and name HN  ))
   (( segid "    " and resid 134  and name HB2 ))
      3.800     1.800     1.800 peak   765 spectrum    1 weight  0.10000E+01 volume  0.53457E-02 ppm1      7.219 ppm2      2.303 CV     1
 ASSI {  766}
   (( segid "    " and resid 135  and name HN  ))
   (( segid "    " and resid 135  and name HB2 ))
      2.300     0.600     0.600 peak   766 spectrum    1 weight  0.10000E+01 volume  0.24480E-01 ppm1      7.220 ppm2      1.735 CV     1
 ASSI {  767}
   (( segid "    " and resid 135  and name HN  ))
   (( segid "    " and resid 135  and name HB1 ))
      2.600     0.800     0.800 peak   767 spectrum    1 weight  0.10000E+01 volume  0.27583E-01 ppm1      7.219 ppm2      1.298 CV     1
 ASSI {  768}
   (( segid "    " and resid 135  and name HN  ))
   (( segid "    " and resid 143  and name HG  ))
      3.300     3.300     2.700 peak   768 spectrum    1 weight  0.10000E+01 volume  0.17588E-01 ppm1      7.219 ppm2      0.998 CV     1
 ASSI {  772}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 54   and name HA  ))
      4.400     2.400     1.600 peak   772 spectrum    1 weight  0.10000E+01 volume  0.62804E-03 ppm1      8.555 ppm2      5.470 CV     1
 ASSI {  774}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 8    and name HA1 ))
      5.800     4.200     0.200 peak   774 spectrum    1 weight  0.10000E+01 volume  0.48928E-03 ppm1      8.553 ppm2      4.187 CV     1
 ASSI {  776}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 73   and name HA  ))
      5.000     3.100     1.000 peak   776 spectrum    1 weight  0.10000E+01 volume  0.82384E-03 ppm1      8.009 ppm2      4.345 CV     1
 ASSI {  779}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 75   and name HN  ))
      2.600     0.800     0.800 peak   779 spectrum    1 weight  0.10000E+01 volume  0.12952E-01 ppm1      8.004 ppm2      7.691 CV     1
 ASSI {  780}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 73   and name HB  ))
      4.400     2.500     1.600 peak   780 spectrum    1 weight  0.10000E+01 volume  0.37352E-02 ppm1      8.006 ppm2      3.951 CV     1
 ASSI {  781}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 76   and name HA  ))
      2.900     1.000     1.000 peak   781 spectrum    1 weight  0.10000E+01 volume  0.75241E-02 ppm1      8.005 ppm2      3.598 CV     1
 ASSI {  783}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 28   and name HG12))
      4.600     2.600     1.400 peak   783 spectrum    1 weight  0.10000E+01 volume  0.87479E-02 ppm1      8.003 ppm2      2.078 CV     1
 OR {  783}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 28   and name HG11))
 ASSI {  785}
   (( segid "    " and resid 76   and name HN  ))
   (  segid "    " and resid 96   and name HD2%)
      4.100     2.100     1.900 peak   785 spectrum    1 weight  0.10000E+01 volume  0.48829E-02 ppm1      8.003 ppm2      1.129 CV     1
 OR {  785}
   (( segid "    " and resid 76   and name HN  ))
   (  segid "    " and resid 96   and name HD1%)
 ASSI {  799}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 73   and name HN  ))
      2.700     0.900     0.900 peak   799 spectrum    1 weight  0.10000E+01 volume  0.11936E-01 ppm1      8.921 ppm2      9.339 CV     1
 ASSI {  803}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 74   and name HA  ))
      3.100     1.200     1.200 peak   803 spectrum    1 weight  0.10000E+01 volume  0.84485E-02 ppm1      8.921 ppm2      4.213 CV     1
 ASSI {  804}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 73   and name HB  ))
      4.000     2.000     2.000 peak   804 spectrum    1 weight  0.10000E+01 volume  0.18998E-02 ppm1      8.923 ppm2      3.964 CV     1
 ASSI {  806}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 74   and name HB2 ))
      2.600     0.800     0.800 peak   806 spectrum    1 weight  0.10000E+01 volume  0.15405E-01 ppm1      8.919 ppm2      2.249 CV     1
 ASSI {  809}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 75   and name HN  ))
      2.700     0.900     0.900 peak   809 spectrum    1 weight  0.10000E+01 volume  0.12096E-01 ppm1      8.918 ppm2      7.701 CV     1
 ASSI {  810}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 74   and name HG2 ))
      2.600     0.800     0.800 peak   810 spectrum    1 weight  0.10000E+01 volume  0.73035E-02 ppm1      8.918 ppm2      2.947 CV     1
 ASSI {  811}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 96   and name HG  ))
      5.700     4.000     0.300 peak   811 spectrum    1 weight  0.10000E+01 volume  0.87654E-03 ppm1      8.919 ppm2      1.636 CV     1
 ASSI {  812}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 70   and name HG  ))
      4.600     2.600     1.400 peak   812 spectrum    1 weight  0.10000E+01 volume  0.51563E-02 ppm1      8.915 ppm2      1.347 CV     1
 ASSI {  813}
   (( segid "    " and resid 74   and name HN  ))
   (  segid "    " and resid 73   and name HG2%)
      3.500     1.600     1.600 peak   813 spectrum    1 weight  0.10000E+01 volume  0.99237E-02 ppm1      8.918 ppm2      1.065 CV     1
 ASSI {  815}
   (( segid "    " and resid 74   and name HN  ))
   (  segid "    " and resid 70   and name HD2%)
      6.000     6.000     0.000 peak   815 spectrum    1 weight  0.10000E+01 volume  0.16034E-03 ppm1      8.917 ppm2      0.525 CV     1
 ASSI {  817}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 78   and name HN  ))
      2.500     0.800     0.800 peak   817 spectrum    1 weight  0.10000E+01 volume  0.13785E-01 ppm1      8.782 ppm2      7.975 CV     1
 ASSI {  820}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 80   and name HB2 ))
      6.000     5.000     0.000 peak   820 spectrum    1 weight  0.10000E+01 volume  0.58581E-03 ppm1      8.783 ppm2      2.863 CV     1
 ASSI {  848}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 20   and name HA  ))
      4.500     2.600     1.500 peak   848 spectrum    1 weight  0.10000E+01 volume  0.48606E-02 ppm1      9.347 ppm2      4.182 CV     1
 ASSI {  851}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 25   and name HG  ))
      2.200     0.600     0.600 peak   851 spectrum    1 weight  0.10000E+01 volume  0.21373E-01 ppm1      9.346 ppm2      1.973 CV     1
 ASSI {  852}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 33   and name HB  ))
      6.000     5.600     0.000 peak   852 spectrum    1 weight  0.10000E+01 volume  0.82475E-03 ppm1      9.343 ppm2      1.775 CV     1
 ASSI {  853}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 25   and name HB1 ))
      3.300     1.400     1.400 peak   853 spectrum    1 weight  0.10000E+01 volume  0.12930E-01 ppm1      9.348 ppm2      1.185 CV     1
 ASSI {  855}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 76   and name HA  ))
      3.400     1.400     1.400 peak   855 spectrum    1 weight  0.10000E+01 volume  0.46086E-02 ppm1      8.779 ppm2      3.589 CV     1
 ASSI {  856}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 79   and name HG1 ))
      2.300     0.700     0.700 peak   856 spectrum    1 weight  0.10000E+01 volume  0.13073E-01 ppm1      8.781 ppm2      2.570 CV     1
 ASSI {  857}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 75   and name HB2 ))
      1.700     1.700     4.300 peak   857 spectrum    1 weight  0.10000E+01 volume  0.30947E-01 ppm1      8.780 ppm2      2.312 CV     1
 ASSI {  858}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 75   and name HB1 ))
      3.800     1.800     1.800 peak   858 spectrum    1 weight  0.10000E+01 volume  0.86498E-02 ppm1      8.782 ppm2      1.939 CV     1
 ASSI {  861}
   (( segid "    " and resid 79   and name HN  ))
   (  segid "    " and resid 76   and name HG2%)
      4.000     2.000     2.000 peak   861 spectrum    1 weight  0.10000E+01 volume  0.54477E-02 ppm1      8.780 ppm2      0.827 CV     1
 ASSI {  872}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 25   and name HN  ))
      2.400     0.700     0.700 peak   872 spectrum    1 weight  0.10000E+01 volume  0.18693E-01 ppm1      7.919 ppm2      9.345 CV     1
 ASSI {  875}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 23   and name HN  ))
      2.300     0.700     0.700 peak   875 spectrum    1 weight  0.10000E+01 volume  0.32622E-01 ppm1      7.920 ppm2      7.422 CV     1
 ASSI {  876}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 20   and name HA  ))
      2.800     1.000     1.000 peak   876 spectrum    1 weight  0.10000E+01 volume  0.40798E-01 ppm1      7.920 ppm2      4.182 CV     1
 ASSI {  878}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 23   and name HB1 ))
      2.100     0.600     0.600 peak   878 spectrum    1 weight  0.10000E+01 volume  0.43608E-01 ppm1      7.920 ppm2      1.960 CV     1
 OR {  878}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 23   and name HB2 ))
 ASSI {  879}
   (( segid "    " and resid 24   and name HN  ))
   (  segid "    " and resid 24   and name HB% )
      2.100     0.600     0.600 peak   879 spectrum    1 weight  0.10000E+01 volume  0.51580E-01 ppm1      7.920 ppm2      1.568 CV     1
 ASSI {  884}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 54   and name HA  ))
      5.500     3.800     0.500 peak   884 spectrum    1 weight  0.10000E+01 volume  0.76084E-03 ppm1     10.308 ppm2      5.475 CV     1
 ASSI {  885}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 41   and name HD1 ))
      5.200     3.400     0.800 peak   885 spectrum    1 weight  0.10000E+01 volume  0.32199E-02 ppm1     10.308 ppm2      2.852 CV     1
 ASSI {  886}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 52   and name HB2 ))
      6.000     5.400     0.000 peak   886 spectrum    1 weight  0.10000E+01 volume  0.13335E-02 ppm1     10.306 ppm2      2.649 CV     1
 ASSI {  890}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 31   and name HA  ))
      4.000     2.000     2.000 peak   890 spectrum    1 weight  0.10000E+01 volume  0.49812E-02 ppm1      9.233 ppm2      5.912 CV     1
 ASSI {  891}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 62   and name HA  ))
      3.200     1.300     1.300 peak   891 spectrum    1 weight  0.10000E+01 volume  0.39598E-02 ppm1      9.232 ppm2      5.518 CV     1
 ASSI {  892}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 61   and name HA  ))
      2.100     0.500     0.500 peak   892 spectrum    1 weight  0.10000E+01 volume  0.51854E-01 ppm1      9.232 ppm2      4.758 CV     1
 ASSI {  894}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 2    and name HA  ))
      3.000     1.200     1.200 peak   894 spectrum    1 weight  0.10000E+01 volume  0.10925E-01 ppm1      9.232 ppm2      4.216 CV     1
 ASSI {  895}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 62   and name HB  ))
      3.300     1.400     1.400 peak   895 spectrum    1 weight  0.10000E+01 volume  0.54358E-02 ppm1      9.232 ppm2      3.835 CV     1
 ASSI {  897}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 61   and name HG1 ))
      3.500     1.500     1.500 peak   897 spectrum    1 weight  0.10000E+01 volume  0.71143E-02 ppm1      9.233 ppm2      1.948 CV     1
 ASSI {  899}
   (( segid "    " and resid 62   and name HN  ))
   (  segid "    " and resid 2    and name HG1%)
      2.600     2.600     3.400 peak   899 spectrum    1 weight  0.10000E+01 volume  0.27757E-02 ppm1      9.233 ppm2      0.125 CV     1
 ASSI {  901}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 64   and name HN  ))
      5.200     3.400     0.800 peak   901 spectrum    1 weight  0.10000E+01 volume  0.10336E-02 ppm1      9.228 ppm2      8.544 CV     1
 ASSI {  903}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 61   and name HB2 ))
      4.000     2.000     2.000 peak   903 spectrum    1 weight  0.10000E+01 volume  0.91912E-02 ppm1      9.231 ppm2      1.771 CV     1
 ASSI {  906}
   (( segid "    " and resid 62   and name HN  ))
   (  segid "    " and resid 62   and name HG2%)
      2.500     0.800     0.800 peak   906 spectrum    1 weight  0.10000E+01 volume  0.19918E-01 ppm1      9.231 ppm2      1.101 CV     1
 ASSI {  909}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 1    and name HG21))
      5.100     3.300     0.900 peak   909 spectrum    1 weight  0.10000E+01 volume  0.76714E-03 ppm1      9.229 ppm2      0.551 CV     1
 ASSI {  912}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 48   and name HN  ))
      2.600     0.800     0.800 peak   912 spectrum    1 weight  0.10000E+01 volume  0.17761E-01 ppm1      8.890 ppm2      8.586 CV     1
 ASSI {  913}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 50   and name HN  ))
      2.900     1.100     1.100 peak   913 spectrum    1 weight  0.10000E+01 volume  0.87867E-02 ppm1      8.890 ppm2      7.813 CV     1
 ASSI {  914}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 49   and name HA  ))
      2.700     0.900     0.900 peak   914 spectrum    1 weight  0.10000E+01 volume  0.18289E-01 ppm1      8.891 ppm2      4.671 CV     1
 ASSI {  915}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 47   and name HA  ))
      3.300     1.400     1.400 peak   915 spectrum    1 weight  0.10000E+01 volume  0.76667E-02 ppm1      8.892 ppm2      4.473 CV     1
 ASSI {  916}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 48   and name HA  ))
      2.700     0.900     0.900 peak   916 spectrum    1 weight  0.10000E+01 volume  0.15006E-01 ppm1      8.890 ppm2      4.306 CV     1
 ASSI {  917}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 49   and name HB1 ))
      3.400     1.500     1.500 peak   917 spectrum    1 weight  0.10000E+01 volume  0.31327E-01 ppm1      8.890 ppm2      2.684 CV     1
 ASSI {  919}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 48   and name HB2 ))
      3.400     1.500     1.500 peak   919 spectrum    1 weight  0.10000E+01 volume  0.13605E-01 ppm1      8.888 ppm2      2.300 CV     1
 ASSI {  922}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 19   and name HB2 ))
      5.600     3.900     0.400 peak   922 spectrum    1 weight  0.10000E+01 volume  0.10247E-02 ppm1      8.733 ppm2      2.848 CV     1
 ASSI {  925}
   (( segid "    " and resid 18   and name HN  ))
   (  segid "    " and resid 18   and name HG1%)
      4.400     2.500     1.600 peak   925 spectrum    1 weight  0.10000E+01 volume  0.61721E-02 ppm1      8.730 ppm2      0.242 CV     1
 ASSI {  926}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 40   and name HN  ))
      5.400     3.600     0.600 peak   926 spectrum    1 weight  0.10000E+01 volume  0.98697E-03 ppm1      8.674 ppm2      9.102 CV     1
 ASSI {  928}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 38   and name HN  ))
      4.600     2.600     1.400 peak   928 spectrum    1 weight  0.10000E+01 volume  0.22352E-02 ppm1      8.665 ppm2      9.299 CV     1
 ASSI {  930}
   (( segid "    " and resid 39   and name HN  ))
   (  segid "    " and resid 39   and name HD% )
      2.500     0.800     0.800 peak   930 spectrum    1 weight  0.10000E+01 volume  0.78018E-02 ppm1      8.669 ppm2      6.955 CV     1
 ASSI {  931}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 39   and name HA  ))
      3.000     1.100     1.100 peak   931 spectrum    1 weight  0.10000E+01 volume  0.67910E-02 ppm1      8.667 ppm2      5.247 CV     1
 ASSI {  934}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 38   and name HB2 ))
      3.400     1.400     1.400 peak   934 spectrum    1 weight  0.10000E+01 volume  0.93496E-02 ppm1      8.671 ppm2      3.727 CV     1
 ASSI {  935}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 38   and name HB1 ))
      2.100     0.600     0.600 peak   935 spectrum    1 weight  0.10000E+01 volume  0.13429E-01 ppm1      8.670 ppm2      3.527 CV     1
 ASSI {  936}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 39   and name HB2 ))
      2.400     0.700     0.700 peak   936 spectrum    1 weight  0.10000E+01 volume  0.14995E-01 ppm1      8.669 ppm2      3.357 CV     1
 ASSI {  937}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 158  and name HB2 ))
      6.000     4.500     0.000 peak   937 spectrum    1 weight  0.10000E+01 volume  0.21958E-02 ppm1      8.667 ppm2      3.079 CV     1
 ASSI {  939}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 157  and name HG2 ))
      3.700     1.700     1.700 peak   939 spectrum    1 weight  0.10000E+01 volume  0.41355E-02 ppm1      8.666 ppm2      1.616 CV     1
 ASSI {  941}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 54   and name HG  ))
      5.100     3.200     0.900 peak   941 spectrum    1 weight  0.10000E+01 volume  0.30317E-02 ppm1      8.668 ppm2      0.231 CV     1
 ASSI {  942}
   (( segid "    " and resid 39   and name HN  ))
   (  segid "    " and resid 54   and name HD1%)
      6.000     6.000     0.000 peak   942 spectrum    1 weight  0.10000E+01 volume  0.16698E-03 ppm1      8.668 ppm2     -0.648 CV     1
 ASSI {  944}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 70   and name HN  ))
      2.600     0.900     0.900 peak   944 spectrum    1 weight  0.10000E+01 volume  0.13046E-01 ppm1      8.232 ppm2      7.826 CV     1
 ASSI {  945}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 72   and name HD2 ))
      4.400     2.500     1.600 peak   945 spectrum    1 weight  0.10000E+01 volume  0.25366E-02 ppm1      8.234 ppm2      7.248 CV     1
 ASSI {  946}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 68   and name HN  ))
      2.400     0.700     0.700 peak   946 spectrum    1 weight  0.10000E+01 volume  0.19283E-01 ppm1      8.232 ppm2      6.875 CV     1
 ASSI {  948}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 68   and name HA  ))
      3.500     1.600     1.600 peak   948 spectrum    1 weight  0.10000E+01 volume  0.59488E-02 ppm1      8.237 ppm2      4.345 CV     1
 ASSI {  949}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 69   and name HA  ))
      2.700     0.900     0.900 peak   949 spectrum    1 weight  0.10000E+01 volume  0.10582E-01 ppm1      8.235 ppm2      4.184 CV     1
 ASSI {  950}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 66   and name HD2 ))
      4.400     2.500     1.600 peak   950 spectrum    1 weight  0.10000E+01 volume  0.27736E-02 ppm1      8.234 ppm2      3.637 CV     1
 ASSI {  951}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 66   and name HA  ))
      3.500     1.500     1.500 peak   951 spectrum    1 weight  0.10000E+01 volume  0.61963E-02 ppm1      8.233 ppm2      3.353 CV     1
 ASSI {  952}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 68   and name HG1 ))
      3.900     1.900     1.900 peak   952 spectrum    1 weight  0.10000E+01 volume  0.44251E-02 ppm1      8.232 ppm2      2.402 CV     1
 OR {  952}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 68   and name HG2 ))
 ASSI {  953}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 69   and name HB2 ))
      2.400     0.700     0.700 peak   953 spectrum    1 weight  0.10000E+01 volume  0.30902E-01 ppm1      8.233 ppm2      2.210 CV     1
 ASSI {  954}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 67   and name HG1 ))
      5.900     4.400     0.100 peak   954 spectrum    1 weight  0.10000E+01 volume  0.10959E-02 ppm1      8.235 ppm2      1.979 CV     1
 ASSI {  955}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 64   and name HB2 ))
      3.200     1.300     1.300 peak   955 spectrum    1 weight  0.10000E+01 volume  0.12966E-01 ppm1      8.229 ppm2      1.780 CV     1
 ASSI {  956}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 69   and name HG  ))
      4.100     2.100     1.900 peak   956 spectrum    1 weight  0.10000E+01 volume  0.66212E-02 ppm1      8.230 ppm2      1.623 CV     1
 ASSI {  958}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 69   and name HB1 ))
      2.200     0.600     0.600 peak   958 spectrum    1 weight  0.10000E+01 volume  0.21969E-01 ppm1      8.233 ppm2      1.314 CV     1
 ASSI {  959}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 98   and name HG11))
      3.800     3.800     2.200 peak   959 spectrum    1 weight  0.10000E+01 volume  0.19195E-01 ppm1      8.234 ppm2      0.998 CV     1
 ASSI {  972}
   (( segid "    " and resid 141  and name HN  ))
   (( segid "    " and resid 137  and name HN  ))
      3.600     1.600     1.600 peak   972 spectrum    1 weight  0.10000E+01 volume  0.77453E-02 ppm1      7.982 ppm2      9.238 CV     1
 ASSI {  973}
   (( segid "    " and resid 141  and name HN  ))
   (( segid "    " and resid 142  and name HA  ))
      4.300     2.300     1.700 peak   973 spectrum    1 weight  0.10000E+01 volume  0.38832E-02 ppm1      7.987 ppm2      4.792 CV     1
 ASSI {  974}
   (( segid "    " and resid 141  and name HN  ))
   (( segid "    " and resid 137  and name HB2 ))
      2.900     1.000     1.000 peak   974 spectrum    1 weight  0.10000E+01 volume  0.10774E-01 ppm1      7.981 ppm2      3.363 CV     1
 ASSI {  975}
   (( segid "    " and resid 141  and name HN  ))
   (( segid "    " and resid 141  and name HG1 ))
      3.100     1.200     1.200 peak   975 spectrum    1 weight  0.10000E+01 volume  0.39402E-02 ppm1      7.984 ppm2      2.072 CV     1
 ASSI {  977}
   (( segid "    " and resid 141  and name HN  ))
   (( segid "    " and resid 140  and name HN  ))
      2.400     0.700     0.700 peak   977 spectrum    1 weight  0.10000E+01 volume  0.16967E-01 ppm1      7.981 ppm2      8.371 CV     1
 ASSI {  993}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 43   and name HD1 ))
      5.300     3.500     0.700 peak   993 spectrum    1 weight  0.10000E+01 volume  0.11615E-02 ppm1     10.314 ppm2      3.830 CV     1
 OR {  993}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 43   and name HD2 ))
 ASSI {  996}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 158  and name HE3 ))
      5.000     3.100     1.000 peak   996 spectrum    1 weight  0.10000E+01 volume  0.44637E-02 ppm1     10.304 ppm2      7.408 CV     1
 ASSI {  997}
   (( segid "    " and resid 42   and name HN  ))
   (  segid "    " and resid 53   and name HD% )
      5.600     4.000     0.400 peak   997 spectrum    1 weight  0.10000E+01 volume  0.65356E-03 ppm1     10.304 ppm2      6.527 CV     1
 ASSI {  998}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 41   and name HA  ))
      2.600     0.800     0.800 peak   998 spectrum    1 weight  0.10000E+01 volume  0.13460E-01 ppm1     10.306 ppm2      6.084 CV     1
 ASSI {  999}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 42   and name HA  ))
      3.000     1.100     1.100 peak   999 spectrum    1 weight  0.10000E+01 volume  0.50744E-02 ppm1     10.307 ppm2      5.150 CV     1
 ASSI { 1003}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 158  and name HA  ))
      6.000     6.000     0.000 peak  1003 spectrum    1 weight  0.10000E+01 volume  0.16303E-03 ppm1     10.308 ppm2      3.997 CV     1
 ASSI { 1005}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 41   and name HB1 ))
      4.300     2.400     1.700 peak  1005 spectrum    1 weight  0.10000E+01 volume  0.36129E-02 ppm1     10.309 ppm2      1.720 CV     1
 OR { 1005}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 41   and name HB2 ))
 ASSI { 1006}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 41   and name HG2 ))
      2.800     1.000     1.000 peak  1006 spectrum    1 weight  0.10000E+01 volume  0.52788E-02 ppm1     10.308 ppm2      1.633 CV     1
 ASSI { 1007}
   (( segid "    " and resid 42   and name HN  ))
   (  segid "    " and resid 42   and name HG2%)
      3.000     1.100     1.100 peak  1007 spectrum    1 weight  0.10000E+01 volume  0.81448E-02 ppm1     10.307 ppm2      1.433 CV     1
 ASSI { 1010}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 19   and name HN  ))
      2.500     0.800     0.800 peak  1010 spectrum    1 weight  0.10000E+01 volume  0.22034E-01 ppm1      8.731 ppm2      8.130 CV     1
 ASSI { 1011}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 80   and name HE21))
      5.300     3.500     0.700 peak  1011 spectrum    1 weight  0.10000E+01 volume  0.76623E-03 ppm1      8.724 ppm2      7.890 CV     1
 ASSI { 1012}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 80   and name HE22))
      5.500     3.800     0.500 peak  1012 spectrum    1 weight  0.10000E+01 volume  0.11501E-02 ppm1      8.731 ppm2      7.445 CV     1
 ASSI { 1013}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 16   and name HN  ))
      3.800     1.800     1.800 peak  1013 spectrum    1 weight  0.10000E+01 volume  0.31820E-02 ppm1      8.732 ppm2      7.257 CV     1
 ASSI { 1015}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 17   and name HA  ))
      3.300     1.400     1.400 peak  1015 spectrum    1 weight  0.10000E+01 volume  0.54959E-02 ppm1      8.730 ppm2      3.979 CV     1
 ASSI { 1016}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 18   and name HA  ))
      2.800     1.000     1.000 peak  1016 spectrum    1 weight  0.10000E+01 volume  0.11360E-01 ppm1      8.731 ppm2      3.422 CV     1
 ASSI { 1017}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 17   and name HG2 ))
      4.200     2.200     1.800 peak  1017 spectrum    1 weight  0.10000E+01 volume  0.63713E-02 ppm1      8.730 ppm2      2.647 CV     1
 OR { 1017}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 17   and name HG1 ))
 ASSI { 1019}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 17   and name HB2 ))
      2.400     0.700     0.700 peak  1019 spectrum    1 weight  0.10000E+01 volume  0.23275E-01 ppm1      8.731 ppm2      2.143 CV     1
 OR { 1019}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 17   and name HB1 ))
 ASSI { 1021}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 18   and name HB  ))
      2.400     0.700     0.700 peak  1021 spectrum    1 weight  0.10000E+01 volume  0.22309E-01 ppm1      8.731 ppm2      1.525 CV     1
 ASSI { 1024}
   (( segid "    " and resid 18   and name HN  ))
   (  segid "    " and resid 54   and name HD1%)
      5.300     3.500     0.700 peak  1024 spectrum    1 weight  0.10000E+01 volume  0.38801E-02 ppm1      8.730 ppm2     -0.630 CV     1
 OR { 1024}
   (( segid "    " and resid 18   and name HN  ))
   (  segid "    " and resid 54   and name HD2%)
 ASSI { 1029}
   (( segid "    " and resid 154  and name HN  ))
   (( segid "    " and resid 155  and name HN  ))
      3.300     1.300     1.300 peak  1029 spectrum    1 weight  0.10000E+01 volume  0.48586E-02 ppm1      8.304 ppm2      7.669 CV     1
 ASSI { 1031}
   (( segid "    " and resid 154  and name HN  ))
   (( segid "    " and resid 153  and name HA  ))
      2.100     2.100     3.900 peak  1031 spectrum    1 weight  0.10000E+01 volume  0.58813E-01 ppm1      8.306 ppm2      4.568 CV     1
 ASSI { 1032}
   (( segid "    " and resid 154  and name HN  ))
   (( segid "    " and resid 154  and name HA  ))
      2.800     1.000     1.000 peak  1032 spectrum    1 weight  0.10000E+01 volume  0.18756E-01 ppm1      8.305 ppm2      2.961 CV     1
 ASSI { 1033}
   (( segid "    " and resid 154  and name HN  ))
   (( segid "    " and resid 153  and name HB2 ))
      3.200     1.300     1.300 peak  1033 spectrum    1 weight  0.10000E+01 volume  0.17750E-01 ppm1      8.306 ppm2      2.760 CV     1
 ASSI { 1034}
   (( segid "    " and resid 154  and name HN  ))
   (( segid "    " and resid 153  and name HB1 ))
      3.500     1.500     1.500 peak  1034 spectrum    1 weight  0.10000E+01 volume  0.16882E-01 ppm1      8.306 ppm2      2.589 CV     1
 ASSI { 1035}
   (( segid "    " and resid 154  and name HN  ))
   (( segid "    " and resid 154  and name HB1 ))
      2.600     0.800     0.800 peak  1035 spectrum    1 weight  0.10000E+01 volume  0.47773E-01 ppm1      8.305 ppm2      1.415 CV     1
 OR { 1035}
   (( segid "    " and resid 154  and name HN  ))
   (( segid "    " and resid 154  and name HB2 ))
 ASSI { 1036}
   (( segid "    " and resid 154  and name HN  ))
   (( segid "    " and resid 154  and name HG2 ))
      2.100     0.600     0.600 peak  1036 spectrum    1 weight  0.10000E+01 volume  0.17636E-01 ppm1      8.306 ppm2      1.184 CV     1
 ASSI { 1037}
   (( segid "    " and resid 154  and name HN  ))
   (( segid "    " and resid 154  and name HG1 ))
      3.400     1.500     1.500 peak  1037 spectrum    1 weight  0.10000E+01 volume  0.10859E-01 ppm1      8.306 ppm2      0.754 CV     1
 ASSI { 1040}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 55   and name HN  ))
      6.000     4.600     0.000 peak  1040 spectrum    1 weight  0.10000E+01 volume  0.51453E-03 ppm1      8.909 ppm2      9.429 CV     1
 ASSI { 1042}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 55   and name HD22))
      3.800     1.800     1.800 peak  1042 spectrum    1 weight  0.10000E+01 volume  0.36306E-02 ppm1      8.908 ppm2      7.991 CV     1
 ASSI { 1044}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 55   and name HA  ))
      2.700     0.900     0.900 peak  1044 spectrum    1 weight  0.10000E+01 volume  0.12482E-01 ppm1      8.909 ppm2      6.210 CV     1
 ASSI { 1045}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 8    and name HA2 ))
      2.800     2.800     3.200 peak  1045 spectrum    1 weight  0.10000E+01 volume  0.17698E-02 ppm1      8.910 ppm2      5.749 CV     1
 ASSI { 1047}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 55   and name HB2 ))
      4.200     2.200     1.800 peak  1047 spectrum    1 weight  0.10000E+01 volume  0.65683E-02 ppm1      8.911 ppm2      3.347 CV     1
 ASSI { 1048}
   (( segid "    " and resid 56   and name HN  ))
   (  segid "    " and resid 56   and name HB% )
      2.900     1.000     1.000 peak  1048 spectrum    1 weight  0.10000E+01 volume  0.15981E-01 ppm1      8.911 ppm2      1.423 CV     1
 ASSI { 1050}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 54   and name HG  ))
      4.100     2.100     1.900 peak  1050 spectrum    1 weight  0.10000E+01 volume  0.39794E-02 ppm1      8.909 ppm2      0.235 CV     1
 ASSI { 1051}
   (( segid "    " and resid 56   and name HN  ))
   (  segid "    " and resid 58   and name HG1%)
      6.000     4.500     0.000 peak  1051 spectrum    1 weight  0.10000E+01 volume  0.46301E-03 ppm1      8.901 ppm2      0.988 CV     1
 OR { 1051}
   (( segid "    " and resid 56   and name HN  ))
   (  segid "    " and resid 58   and name HG2%)
 ASSI { 1056}
   (( segid "    " and resid 111  and name HN  ))
   (( segid "    " and resid 108  and name HN  ))
      3.800     1.800     1.800 peak  1056 spectrum    1 weight  0.10000E+01 volume  0.88659E-02 ppm1      7.632 ppm2      8.969 CV     1
 ASSI { 1059}
   (( segid "    " and resid 111  and name HN  ))
   (( segid "    " and resid 107  and name HA  ))
      5.200     3.400     0.800 peak  1059 spectrum    1 weight  0.10000E+01 volume  0.26420E-02 ppm1      7.631 ppm2      5.514 CV     1
 ASSI { 1060}
   (( segid "    " and resid 111  and name HN  ))
   (( segid "    " and resid 112  and name HA  ))
      6.000     6.000     0.000 peak  1060 spectrum    1 weight  0.10000E+01 volume  0.16613E-03 ppm1      7.633 ppm2      5.228 CV     1
 ASSI { 1063}
   (( segid "    " and resid 111  and name HN  ))
   (( segid "    " and resid 110  and name HA  ))
      3.200     1.300     1.300 peak  1063 spectrum    1 weight  0.10000E+01 volume  0.74191E-02 ppm1      7.630 ppm2      4.230 CV     1
 ASSI { 1064}
   (( segid "    " and resid 111  and name HN  ))
   (( segid "    " and resid 111  and name HA  ))
      2.700     0.900     0.900 peak  1064 spectrum    1 weight  0.10000E+01 volume  0.91678E-02 ppm1      7.633 ppm2      3.905 CV     1
 ASSI { 1065}
   (( segid "    " and resid 111  and name HN  ))
   (( segid "    " and resid 109  and name HB2 ))
      3.900     1.900     1.900 peak  1065 spectrum    1 weight  0.10000E+01 volume  0.70191E-02 ppm1      7.634 ppm2      2.035 CV     1
 ASSI { 1066}
   (( segid "    " and resid 111  and name HN  ))
   (( segid "    " and resid 110  and name HG2 ))
      3.800     1.800     1.800 peak  1066 spectrum    1 weight  0.10000E+01 volume  0.62901E-02 ppm1      7.633 ppm2      1.785 CV     1
 ASSI { 1067}
   (( segid "    " and resid 111  and name HN  ))
   (( segid "    " and resid 110  and name HB2 ))
      3.000     1.100     1.100 peak  1067 spectrum    1 weight  0.10000E+01 volume  0.68747E-02 ppm1      7.632 ppm2      1.647 CV     1
 ASSI { 1068}
   (( segid "    " and resid 111  and name HN  ))
   (( segid "    " and resid 111  and name HB2 ))
      2.600     0.800     0.800 peak  1068 spectrum    1 weight  0.10000E+01 volume  0.20558E-01 ppm1      7.632 ppm2      1.346 CV     1
 ASSI { 1069}
   (( segid "    " and resid 111  and name HN  ))
   (( segid "    " and resid 111  and name HB1 ))
      2.100     0.600     0.600 peak  1069 spectrum    1 weight  0.10000E+01 volume  0.22024E-01 ppm1      7.632 ppm2      0.921 CV     1
 ASSI { 1072}
   (( segid "    " and resid 111  and name HN  ))
   (  segid "    " and resid 111  and name HD2%)
      3.800     3.800     2.200 peak  1072 spectrum    1 weight  0.10000E+01 volume  0.12815E-01 ppm1      7.631 ppm2      0.346 CV     1
 ASSI { 1074}
   (( segid "    " and resid 156  and name HN  ))
   (( segid "    " and resid 157  and name HN  ))
      4.400     2.400     1.600 peak  1074 spectrum    1 weight  0.10000E+01 volume  0.31995E-02 ppm1      9.324 ppm2      8.802 CV     1
 ASSI { 1075}
   (( segid "    " and resid 156  and name HN  ))
   (  segid "    " and resid 40   and name HD% )
      3.700     1.700     1.700 peak  1075 spectrum    1 weight  0.10000E+01 volume  0.53740E-02 ppm1      9.327 ppm2      7.052 CV     1
 ASSI { 1076}
   (( segid "    " and resid 156  and name HN  ))
   (( segid "    " and resid 154  and name HA  ))
      2.600     2.600     3.400 peak  1076 spectrum    1 weight  0.10000E+01 volume  0.26773E-02 ppm1      9.327 ppm2      3.005 CV     1
 ASSI { 1077}
   (( segid "    " and resid 156  and name HN  ))
   (( segid "    " and resid 155  and name HN  ))
      4.300     2.300     1.700 peak  1077 spectrum    1 weight  0.10000E+01 volume  0.39374E-02 ppm1      9.320 ppm2      7.681 CV     1
 ASSI { 1081}
   (( segid "    " and resid 105  and name HN  ))
   (( segid "    " and resid 105  and name HA  ))
      3.000     1.100     1.100 peak  1081 spectrum    1 weight  0.10000E+01 volume  0.78461E-02 ppm1      8.190 ppm2      4.652 CV     1
 ASSI { 1082}
   (( segid "    " and resid 105  and name HN  ))
   (( segid "    " and resid 104  and name HA  ))
      2.100     0.500     0.500 peak  1082 spectrum    1 weight  0.10000E+01 volume  0.55049E-01 ppm1      8.190 ppm2      4.265 CV     1
 ASSI { 1084}
   (( segid "    " and resid 105  and name HN  ))
   (( segid "    " and resid 104  and name HG2 ))
      4.600     2.700     1.400 peak  1084 spectrum    1 weight  0.10000E+01 volume  0.70027E-02 ppm1      8.194 ppm2      2.576 CV     1
 ASSI { 1085}
   (( segid "    " and resid 105  and name HN  ))
   (( segid "    " and resid 104  and name HB2 ))
      3.000     1.200     1.200 peak  1085 spectrum    1 weight  0.10000E+01 volume  0.12332E-01 ppm1      8.191 ppm2      2.389 CV     1
 ASSI { 1087}
   (( segid "    " and resid 105  and name HN  ))
   (  segid "    " and resid 106  and name HD1%)
      5.400     3.700     0.600 peak  1087 spectrum    1 weight  0.10000E+01 volume  0.17699E-02 ppm1      8.193 ppm2      0.636 CV     1
 ASSI { 1088}
   (( segid "    " and resid 105  and name HN  ))
   (( segid "    " and resid 106  and name HN  ))
      4.300     2.300     1.700 peak  1088 spectrum    1 weight  0.10000E+01 volume  0.39459E-02 ppm1      8.188 ppm2      9.381 CV     1
 ASSI { 1090}
   (( segid "    " and resid 105  and name HN  ))
   (( segid "    " and resid 104  and name HB1 ))
      3.900     1.900     1.900 peak  1090 spectrum    1 weight  0.10000E+01 volume  0.11779E-01 ppm1      8.188 ppm2      2.182 CV     1
 ASSI { 1094}
   (( segid "    " and resid 118  and name HN  ))
   (( segid "    " and resid 121  and name HB2 ))
      4.300     2.300     1.700 peak  1094 spectrum    1 weight  0.10000E+01 volume  0.29229E-02 ppm1      7.557 ppm2      0.866 CV     1
 ASSI { 1098}
   (( segid "    " and resid 118  and name HN  ))
   (  segid "    " and resid 116  and name HD% )
      3.000     3.000     3.000 peak  1098 spectrum    1 weight  0.10000E+01 volume  0.10011E-02 ppm1      7.550 ppm2      6.652 CV     1
 ASSI { 1099}
   (( segid "    " and resid 118  and name HN  ))
   (( segid "    " and resid 117  and name HA  ))
      3.600     1.600     1.600 peak  1099 spectrum    1 weight  0.10000E+01 volume  0.55771E-02 ppm1      7.547 ppm2      5.074 CV     1
 ASSI { 1100}
   (( segid "    " and resid 118  and name HN  ))
   (( segid "    " and resid 99   and name HA  ))
      5.800     4.200     0.200 peak  1100 spectrum    1 weight  0.10000E+01 volume  0.55257E-03 ppm1      7.550 ppm2      4.575 CV     1
 ASSI { 1101}
   (( segid "    " and resid 118  and name HN  ))
   (( segid "    " and resid 119  and name HA  ))
      3.900     1.900     1.900 peak  1101 spectrum    1 weight  0.10000E+01 volume  0.87483E-02 ppm1      7.549 ppm2      3.837 CV     1
 ASSI { 1102}
   (( segid "    " and resid 118  and name HN  ))
   (( segid "    " and resid 118  and name HG2 ))
      2.600     0.900     0.900 peak  1102 spectrum    1 weight  0.10000E+01 volume  0.10619E-01 ppm1      7.549 ppm2      3.318 CV     1
 OR { 1102}
   (( segid "    " and resid 118  and name HN  ))
   (( segid "    " and resid 118  and name HG1 ))
 ASSI { 1104}
   (( segid "    " and resid 118  and name HN  ))
   (( segid "    " and resid 124  and name HB2 ))
      4.200     2.300     1.800 peak  1104 spectrum    1 weight  0.10000E+01 volume  0.12555E-01 ppm1      7.548 ppm2      2.168 CV     1
 OR { 1104}
   (( segid "    " and resid 118  and name HN  ))
   (( segid "    " and resid 124  and name HB1 ))
 ASSI { 1107}
   (( segid "    " and resid 118  and name HN  ))
   (( segid "    " and resid 119  and name HG2 ))
      3.500     1.600     1.600 peak  1107 spectrum    1 weight  0.10000E+01 volume  0.92920E-02 ppm1      7.551 ppm2      1.325 CV     1
 ASSI { 1111}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 25   and name HN  ))
      3.800     1.800     1.800 peak  1111 spectrum    1 weight  0.10000E+01 volume  0.33145E-02 ppm1      7.423 ppm2      9.349 CV     1
 ASSI { 1112}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 22   and name HN  ))
      2.500     0.800     0.800 peak  1112 spectrum    1 weight  0.10000E+01 volume  0.18969E-01 ppm1      7.423 ppm2      8.504 CV     1
 ASSI { 1114}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 19   and name HA  ))
      4.800     2.800     1.200 peak  1114 spectrum    1 weight  0.10000E+01 volume  0.20432E-02 ppm1      7.423 ppm2      4.586 CV     1
 ASSI { 1115}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 20   and name HA  ))
      2.900     1.100     1.100 peak  1115 spectrum    1 weight  0.10000E+01 volume  0.15344E-01 ppm1      7.424 ppm2      4.157 CV     1
 ASSI { 1117}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 23   and name HB2 ))
      1.900     0.500     0.500 peak  1117 spectrum    1 weight  0.10000E+01 volume  0.73860E-01 ppm1      7.424 ppm2      1.958 CV     1
 OR { 1117}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 23   and name HB1 ))
 ASSI { 1119}
   (( segid "    " and resid 23   and name HN  ))
   (  segid "    " and resid 22   and name HD1%)
      3.000     1.100     1.100 peak  1119 spectrum    1 weight  0.10000E+01 volume  0.84741E-02 ppm1      7.422 ppm2      1.137 CV     1
 ASSI { 1123}
   (( segid "    " and resid 156  and name HN  ))
   (  segid "    " and resid 155  and name HD2%)
      4.800     2.900     1.200 peak  1123 spectrum    1 weight  0.10000E+01 volume  0.33864E-02 ppm1      9.325 ppm2      0.490 CV     1
 ASSI { 1125}
   (( segid "    " and resid 156  and name HN  ))
   (( segid "    " and resid 156  and name HD21))
      3.200     1.300     1.300 peak  1125 spectrum    1 weight  0.10000E+01 volume  0.71389E-02 ppm1      9.314 ppm2      7.785 CV     1
 ASSI { 1126}
   (( segid "    " and resid 156  and name HN  ))
   (( segid "    " and resid 156  and name HA  ))
      2.900     1.100     1.100 peak  1126 spectrum    1 weight  0.10000E+01 volume  0.11540E-01 ppm1      9.320 ppm2      4.931 CV     1
 ASSI { 1127}
   (( segid "    " and resid 156  and name HN  ))
   (( segid "    " and resid 155  and name HA  ))
      2.200     0.600     0.600 peak  1127 spectrum    1 weight  0.10000E+01 volume  0.31497E-01 ppm1      9.320 ppm2      4.454 CV     1
 ASSI { 1128}
   (( segid "    " and resid 156  and name HN  ))
   (( segid "    " and resid 156  and name HB1 ))
      2.600     0.900     0.900 peak  1128 spectrum    1 weight  0.10000E+01 volume  0.26631E-01 ppm1      9.320 ppm2      2.861 CV     1
 OR { 1128}
   (( segid "    " and resid 156  and name HN  ))
   (( segid "    " and resid 156  and name HB2 ))
 ASSI { 1129}
   (( segid "    " and resid 156  and name HN  ))
   (( segid "    " and resid 154  and name HB2 ))
      1.800     1.800     4.200 peak  1129 spectrum    1 weight  0.10000E+01 volume  0.20230E-01 ppm1      9.321 ppm2      1.409 CV     1
 OR { 1129}
   (( segid "    " and resid 156  and name HN  ))
   (( segid "    " and resid 154  and name HB1 ))
 ASSI { 1132}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 48   and name HE21))
      4.400     2.400     1.600 peak  1132 spectrum    1 weight  0.10000E+01 volume  0.20214E-02 ppm1      8.596 ppm2      7.784 CV     1
 ASSI { 1135}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 48   and name HE22))
      6.000     4.900     0.000 peak  1135 spectrum    1 weight  0.10000E+01 volume  0.58887E-03 ppm1      8.588 ppm2      7.054 CV     1
 ASSI { 1136}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 49   and name HA  ))
      6.000     5.600     0.000 peak  1136 spectrum    1 weight  0.10000E+01 volume  0.59384E-03 ppm1      8.590 ppm2      4.678 CV     1
 ASSI { 1137}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 47   and name HA  ))
      2.700     0.900     0.900 peak  1137 spectrum    1 weight  0.10000E+01 volume  0.30176E-01 ppm1      8.588 ppm2      4.470 CV     1
 ASSI { 1138}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 48   and name HA  ))
      2.400     0.700     0.700 peak  1138 spectrum    1 weight  0.10000E+01 volume  0.11869E-01 ppm1      8.589 ppm2      4.308 CV     1
 ASSI { 1141}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 48   and name HB2 ))
      3.500     1.600     1.600 peak  1141 spectrum    1 weight  0.10000E+01 volume  0.98715E-02 ppm1      8.589 ppm2      2.291 CV     1
 ASSI { 1144}
   (( segid "    " and resid 85   and name HN  ))
   (( segid "    " and resid 84   and name HD1 ))
      5.300     3.500     0.700 peak  1144 spectrum    1 weight  0.10000E+01 volume  0.29979E-02 ppm1      8.323 ppm2      3.223 CV     1
 OR { 1144}
   (( segid "    " and resid 85   and name HN  ))
   (( segid "    " and resid 84   and name HD2 ))
 ASSI { 1146}
   (( segid "    " and resid 85   and name HN  ))
   (( segid "    " and resid 85   and name HA  ))
      3.200     1.200     1.200 peak  1146 spectrum    1 weight  0.10000E+01 volume  0.66222E-02 ppm1      8.319 ppm2      4.445 CV     1
 ASSI { 1148}
   (( segid "    " and resid 129  and name HN  ))
   (( segid "    " and resid 130  and name HN  ))
      2.900     1.100     1.100 peak  1148 spectrum    1 weight  0.10000E+01 volume  0.88732E-02 ppm1      8.659 ppm2      7.751 CV     1
 ASSI { 1149}
   (( segid "    " and resid 129  and name HN  ))
   (  segid "    " and resid 129  and name HD% )
      4.300     2.300     1.700 peak  1149 spectrum    1 weight  0.10000E+01 volume  0.67953E-02 ppm1      8.659 ppm2      7.187 CV     1
 ASSI { 1153}
   (( segid "    " and resid 129  and name HN  ))
   (( segid "    " and resid 129  and name HB2 ))
      2.500     0.800     0.800 peak  1153 spectrum    1 weight  0.10000E+01 volume  0.13972E-01 ppm1      8.660 ppm2      3.172 CV     1
 ASSI { 1154}
   (( segid "    " and resid 129  and name HN  ))
   (( segid "    " and resid 129  and name HB1 ))
      2.400     0.700     0.700 peak  1154 spectrum    1 weight  0.10000E+01 volume  0.18380E-01 ppm1      8.659 ppm2      2.887 CV     1
 ASSI { 1155}
   (( segid "    " and resid 129  and name HN  ))
   (( segid "    " and resid 128  and name HB2 ))
      3.400     1.500     1.500 peak  1155 spectrum    1 weight  0.10000E+01 volume  0.12899E-01 ppm1      8.659 ppm2      2.026 CV     1
 ASSI { 1156}
   (( segid "    " and resid 129  and name HN  ))
   (( segid "    " and resid 133  and name HB1 ))
      4.400     2.400     1.600 peak  1156 spectrum    1 weight  0.10000E+01 volume  0.60624E-02 ppm1      8.659 ppm2      1.507 CV     1
 ASSI { 1157}
   (( segid "    " and resid 129  and name HN  ))
   (( segid "    " and resid 128  and name HG  ))
      3.900     1.900     1.900 peak  1157 spectrum    1 weight  0.10000E+01 volume  0.61004E-02 ppm1      8.659 ppm2      0.318 CV     1
 ASSI { 1158}
   (( segid "    " and resid 129  and name HN  ))
   (( segid "    " and resid 126  and name HA  ))
      3.200     1.300     1.300 peak  1158 spectrum    1 weight  0.10000E+01 volume  0.10815E-01 ppm1      8.656 ppm2      4.791 CV     1
 ASSI { 1159}
   (( segid "    " and resid 129  and name HN  ))
   (( segid "    " and resid 133  and name HA  ))
      5.500     3.800     0.500 peak  1159 spectrum    1 weight  0.10000E+01 volume  0.19567E-02 ppm1      8.655 ppm2      4.142 CV     1
 ASSI { 1163}
   (( segid "    " and resid 129  and name HN  ))
   (  segid "    " and resid 147  and name HD1%)
      4.300     2.300     1.700 peak  1163 spectrum    1 weight  0.10000E+01 volume  0.55764E-02 ppm1      8.656 ppm2     -0.452 CV     1
 ASSI { 1165}
   (( segid "    " and resid 87   and name HN  ))
   (( segid "    " and resid 86   and name HN  ))
      3.900     1.900     1.900 peak  1165 spectrum    1 weight  0.10000E+01 volume  0.70229E-02 ppm1      8.347 ppm2      7.738 CV     1
 ASSI { 1166}
   (( segid "    " and resid 87   and name HN  ))
   (( segid "    " and resid 86   and name HA  ))
      2.100     0.500     0.500 peak  1166 spectrum    1 weight  0.10000E+01 volume  0.39106E-01 ppm1      8.351 ppm2      4.287 CV     1
 ASSI { 1167}
   (( segid "    " and resid 87   and name HN  ))
   (( segid "    " and resid 87   and name HG2 ))
      3.500     1.500     1.500 peak  1167 spectrum    1 weight  0.10000E+01 volume  0.71167E-02 ppm1      8.356 ppm2      2.326 CV     1
 OR { 1167}
   (( segid "    " and resid 87   and name HN  ))
   (( segid "    " and resid 87   and name HG1 ))
 ASSI { 1168}
   (( segid "    " and resid 87   and name HN  ))
   (( segid "    " and resid 87   and name HB1 ))
      2.500     0.800     0.800 peak  1168 spectrum    1 weight  0.10000E+01 volume  0.38289E-01 ppm1      8.354 ppm2      2.000 CV     1
 OR { 1168}
   (( segid "    " and resid 87   and name HN  ))
   (( segid "    " and resid 87   and name HB2 ))
 ASSI { 1169}
   (( segid "    " and resid 87   and name HN  ))
   (  segid "    " and resid 86   and name HB% )
      3.300     1.300     1.300 peak  1169 spectrum    1 weight  0.10000E+01 volume  0.28072E-01 ppm1      8.353 ppm2      1.439 CV     1
 ASSI { 1170}
   (( segid "    " and resid 85   and name HN  ))
   (  segid "    " and resid 83   and name HG1%)
      3.900     1.900     1.900 peak  1170 spectrum    1 weight  0.10000E+01 volume  0.84061E-02 ppm1      8.322 ppm2      0.964 CV     1
 OR { 1170}
   (( segid "    " and resid 85   and name HN  ))
   (  segid "    " and resid 83   and name HG2%)
 ASSI { 1171}
   (( segid "    " and resid 85   and name HN  ))
   (( segid "    " and resid 84   and name HN  ))
      5.300     3.500     0.700 peak  1171 spectrum    1 weight  0.10000E+01 volume  0.16280E-02 ppm1      8.319 ppm2      8.807 CV     1
 ASSI { 1173}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 3    and name HN  ))
      4.700     2.800     1.300 peak  1173 spectrum    1 weight  0.10000E+01 volume  0.10603E-02 ppm1      8.650 ppm2      9.238 CV     1
 ASSI { 1174}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 102  and name HN  ))
      3.800     1.800     1.800 peak  1174 spectrum    1 weight  0.10000E+01 volume  0.72878E-02 ppm1      8.651 ppm2      8.392 CV     1
 ASSI { 1175}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 100  and name HN  ))
      2.600     0.900     0.900 peak  1175 spectrum    1 weight  0.10000E+01 volume  0.98481E-02 ppm1      8.652 ppm2      7.520 CV     1
 ASSI { 1176}
   (( segid "    " and resid 4    and name HN  ))
   (  segid "    " and resid 4    and name HD% )
      2.100     0.500     0.500 peak  1176 spectrum    1 weight  0.10000E+01 volume  0.93874E-02 ppm1      8.651 ppm2      6.829 CV     1
 ASSI { 1177}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 4    and name HA  ))
      2.800     1.000     1.000 peak  1177 spectrum    1 weight  0.10000E+01 volume  0.68279E-02 ppm1      8.651 ppm2      5.559 CV     1
 ASSI { 1178}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 3    and name HA  ))
      1.900     0.400     0.400 peak  1178 spectrum    1 weight  0.10000E+01 volume  0.29217E-01 ppm1      8.651 ppm2      4.960 CV     1
 ASSI { 1179}
   (( segid "    " and resid 129  and name HN  ))
   (( segid "    " and resid 127  and name HA  ))
      3.100     1.200     1.200 peak  1179 spectrum    1 weight  0.10000E+01 volume  0.93703E-02 ppm1      8.652 ppm2      4.548 CV     1
 ASSI { 1181}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 4    and name HB2 ))
      2.200     0.600     0.600 peak  1181 spectrum    1 weight  0.10000E+01 volume  0.15343E-01 ppm1      8.650 ppm2      2.733 CV     1
 ASSI { 1185}
   (( segid "    " and resid 4    and name HN  ))
   (  segid "    " and resid 2    and name HG1%)
      3.700     1.700     1.700 peak  1185 spectrum    1 weight  0.10000E+01 volume  0.39866E-02 ppm1      8.652 ppm2      0.119 CV     1
 ASSI { 1202}
   (( segid "    " and resid 155  and name HN  ))
   (  segid "    " and resid 40   and name HD% )
      4.300     2.300     1.700 peak  1202 spectrum    1 weight  0.10000E+01 volume  0.34029E-02 ppm1      7.673 ppm2      7.038 CV     1
 ASSI { 1203}
   (( segid "    " and resid 155  and name HN  ))
   (( segid "    " and resid 126  and name HD1 ))
      3.600     1.600     1.600 peak  1203 spectrum    1 weight  0.10000E+01 volume  0.46898E-02 ppm1      7.677 ppm2      6.716 CV     1
 ASSI { 1204}
   (( segid "    " and resid 155  and name HN  ))
   (( segid "    " and resid 155  and name HA  ))
      2.800     1.000     1.000 peak  1204 spectrum    1 weight  0.10000E+01 volume  0.10868E-01 ppm1      7.677 ppm2      4.454 CV     1
 ASSI { 1205}
   (( segid "    " and resid 155  and name HN  ))
   (( segid "    " and resid 154  and name HA  ))
      2.400     0.700     0.700 peak  1205 spectrum    1 weight  0.10000E+01 volume  0.42457E-01 ppm1      7.677 ppm2      2.963 CV     1
 ASSI { 1207}
   (( segid "    " and resid 155  and name HN  ))
   (( segid "    " and resid 154  and name HG2 ))
      3.800     1.800     1.800 peak  1207 spectrum    1 weight  0.10000E+01 volume  0.89704E-02 ppm1      7.674 ppm2      1.200 CV     1
 ASSI { 1208}
   (( segid "    " and resid 155  and name HN  ))
   (( segid "    " and resid 154  and name HG1 ))
      3.200     1.300     1.300 peak  1208 spectrum    1 weight  0.10000E+01 volume  0.17338E-01 ppm1      7.678 ppm2      0.765 CV     1
 ASSI { 1209}
   (( segid "    " and resid 155  and name HN  ))
   (  segid "    " and resid 155  and name HD2%)
      3.500     1.500     1.500 peak  1209 spectrum    1 weight  0.10000E+01 volume  0.95602E-02 ppm1      7.677 ppm2      0.494 CV     1
 OR { 1209}
   (( segid "    " and resid 155  and name HN  ))
   (  segid "    " and resid 155  and name HD1%)
 ASSI { 1212}
   (( segid "    " and resid 151  and name HN  ))
   (( segid "    " and resid 150  and name HN  ))
      2.700     0.900     0.900 peak  1212 spectrum    1 weight  0.10000E+01 volume  0.13452E-01 ppm1      7.523 ppm2      7.854 CV     1
 ASSI { 1214}
   (( segid "    " and resid 151  and name HN  ))
   (( segid "    " and resid 152  and name HN  ))
      2.500     0.800     0.800 peak  1214 spectrum    1 weight  0.10000E+01 volume  0.17388E-01 ppm1      7.523 ppm2      7.202 CV     1
 ASSI { 1215}
   (( segid "    " and resid 151  and name HN  ))
   (  segid "    " and resid 152  and name HD% )
      3.900     1.900     1.900 peak  1215 spectrum    1 weight  0.10000E+01 volume  0.39992E-02 ppm1      7.525 ppm2      7.053 CV     1
 ASSI { 1216}
   (( segid "    " and resid 151  and name HN  ))
   (( segid "    " and resid 152  and name HA  ))
      6.000     6.000     0.000 peak  1216 spectrum    1 weight  0.10000E+01 volume  0.14755E-03 ppm1      7.520 ppm2      4.637 CV     1
 ASSI { 1217}
   (( segid "    " and resid 151  and name HN  ))
   (( segid "    " and resid 148  and name HA  ))
      3.900     1.900     1.900 peak  1217 spectrum    1 weight  0.10000E+01 volume  0.21532E-02 ppm1      7.522 ppm2      4.462 CV     1
 ASSI { 1219}
   (( segid "    " and resid 151  and name HN  ))
   (( segid "    " and resid 147  and name HA  ))
      3.300     1.400     1.400 peak  1219 spectrum    1 weight  0.10000E+01 volume  0.24852E-02 ppm1      7.521 ppm2      3.679 CV     1
 ASSI { 1220}
   (( segid "    " and resid 151  and name HN  ))
   (( segid "    " and resid 152  and name HB2 ))
      6.000     5.200     0.000 peak  1220 spectrum    1 weight  0.10000E+01 volume  0.46718E-03 ppm1      7.519 ppm2      3.365 CV     1
 ASSI { 1221}
   (( segid "    " and resid 151  and name HN  ))
   (( segid "    " and resid 150  and name HG1 ))
      4.300     2.400     1.700 peak  1221 spectrum    1 weight  0.10000E+01 volume  0.67185E-02 ppm1      7.520 ppm2      1.445 CV     1
 ASSI { 1224}
   (( segid "    " and resid 151  and name HN  ))
   (( segid "    " and resid 147  and name HG  ))
      2.000     2.000     4.000 peak  1224 spectrum    1 weight  0.10000E+01 volume  0.10726E-01 ppm1      7.522 ppm2      0.890 CV     1
 ASSI { 1225}
   (( segid "    " and resid 151  and name HN  ))
   (( segid "    " and resid 147  and name HB1 ))
      4.200     2.200     1.800 peak  1225 spectrum    1 weight  0.10000E+01 volume  0.16758E-02 ppm1      7.518 ppm2      0.689 CV     1
 ASSI { 1228}
   (( segid "    " and resid 122  and name HN  ))
   (( segid "    " and resid 123  and name HN  ))
      2.300     0.700     0.700 peak  1228 spectrum    1 weight  0.10000E+01 volume  0.92245E-02 ppm1      9.411 ppm2      6.955 CV     1
 ASSI { 1231}
   (( segid "    " and resid 122  and name HN  ))
   (( segid "    " and resid 154  and name HE1 ))
      3.700     1.700     1.700 peak  1231 spectrum    1 weight  0.10000E+01 volume  0.80052E-02 ppm1      9.412 ppm2      2.850 CV     1
 OR { 1231}
   (( segid "    " and resid 122  and name HN  ))
   (( segid "    " and resid 154  and name HE2 ))
 ASSI { 1232}
   (( segid "    " and resid 122  and name HN  ))
   (( segid "    " and resid 155  and name HG  ))
      3.500     1.500     1.500 peak  1232 spectrum    1 weight  0.10000E+01 volume  0.46561E-02 ppm1      9.413 ppm2      0.826 CV     1
 ASSI { 1235}
   (( segid "    " and resid 109  and name HN  ))
   (( segid "    " and resid 111  and name HG  ))
      6.000     6.000     0.000 peak  1235 spectrum    1 weight  0.10000E+01 volume  0.14561E-03 ppm1      8.881 ppm2      1.060 CV     1
 ASSI { 1238}
   (( segid "    " and resid 109  and name HN  ))
   (( segid "    " and resid 111  and name HN  ))
      3.900     1.900     1.900 peak  1238 spectrum    1 weight  0.10000E+01 volume  0.40221E-02 ppm1      8.875 ppm2      7.625 CV     1
 ASSI { 1240}
   (( segid "    " and resid 109  and name HN  ))
   (( segid "    " and resid 108  and name HB  ))
      1.700     0.400     0.500 peak  1240 spectrum    1 weight  0.10000E+01 volume  0.33037E-01 ppm1      8.876 ppm2      4.660 CV     1
 ASSI { 1241}
   (( segid "    " and resid 109  and name HN  ))
   (( segid "    " and resid 110  and name HA  ))
      5.900     4.300     0.100 peak  1241 spectrum    1 weight  0.10000E+01 volume  0.51096E-03 ppm1      8.878 ppm2      4.235 CV     1
 ASSI { 1242}
   (( segid "    " and resid 109  and name HN  ))
   (( segid "    " and resid 109  and name HA  ))
      2.800     0.900     0.900 peak  1242 spectrum    1 weight  0.10000E+01 volume  0.16826E-01 ppm1      8.875 ppm2      4.031 CV     1
 ASSI { 1243}
   (( segid "    " and resid 109  and name HN  ))
   (( segid "    " and resid 109  and name HG1 ))
      2.500     0.800     0.800 peak  1243 spectrum    1 weight  0.10000E+01 volume  0.98535E-02 ppm1      8.876 ppm2      2.302 CV     1
 ASSI { 1244}
   (( segid "    " and resid 109  and name HN  ))
   (( segid "    " and resid 109  and name HB2 ))
      2.300     0.700     0.700 peak  1244 spectrum    1 weight  0.10000E+01 volume  0.41190E-01 ppm1      8.875 ppm2      2.042 CV     1
 OR { 1244}
   (( segid "    " and resid 109  and name HN  ))
   (( segid "    " and resid 109  and name HB1 ))
 ASSI { 1245}
   (( segid "    " and resid 109  and name HN  ))
   (( segid "    " and resid 110  and name HG2 ))
      5.000     3.200     1.000 peak  1245 spectrum    1 weight  0.10000E+01 volume  0.23243E-02 ppm1      8.873 ppm2      1.786 CV     1
 OR { 1245}
   (( segid "    " and resid 109  and name HN  ))
   (( segid "    " and resid 110  and name HG1 ))
 ASSI { 1246}
   (( segid "    " and resid 109  and name HN  ))
   (  segid "    " and resid 108  and name HG2%)
      3.900     1.900     1.900 peak  1246 spectrum    1 weight  0.10000E+01 volume  0.18228E-01 ppm1      8.875 ppm2      1.220 CV     1
 ASSI { 1248}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 80   and name HE21))
      6.000     5.200     0.000 peak  1248 spectrum    1 weight  0.10000E+01 volume  0.48955E-03 ppm1      8.166 ppm2      7.894 CV     1
 ASSI { 1249}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 17   and name HE21))
      3.900     1.900     1.900 peak  1249 spectrum    1 weight  0.10000E+01 volume  0.40379E-02 ppm1      8.171 ppm2      7.704 CV     1
 ASSI { 1250}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 80   and name HE22))
      6.000     5.200     0.000 peak  1250 spectrum    1 weight  0.10000E+01 volume  0.46374E-03 ppm1      8.175 ppm2      7.439 CV     1
 ASSI { 1252}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 17   and name HE22))
      5.000     3.100     1.000 peak  1252 spectrum    1 weight  0.10000E+01 volume  0.66846E-02 ppm1      8.172 ppm2      6.841 CV     1
 ASSI { 1254}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 14   and name HA  ))
      3.500     1.500     1.500 peak  1254 spectrum    1 weight  0.10000E+01 volume  0.74699E-02 ppm1      8.167 ppm2      4.331 CV     1
 ASSI { 1256}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 17   and name HA  ))
      2.600     0.800     0.800 peak  1256 spectrum    1 weight  0.10000E+01 volume  0.13272E-01 ppm1      8.170 ppm2      3.988 CV     1
 ASSI { 1258}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 17   and name HG2 ))
      2.200     0.600     0.600 peak  1258 spectrum    1 weight  0.10000E+01 volume  0.21040E-01 ppm1      8.171 ppm2      2.635 CV     1
 OR { 1258}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 17   and name HG1 ))
 ASSI { 1259}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 16   and name HB2 ))
      2.400     0.700     0.700 peak  1259 spectrum    1 weight  0.10000E+01 volume  0.19363E-01 ppm1      8.170 ppm2      2.288 CV     1
 ASSI { 1261}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 14   and name HB1 ))
      5.800     4.200     0.200 peak  1261 spectrum    1 weight  0.10000E+01 volume  0.11736E-02 ppm1      8.168 ppm2      1.872 CV     1
 ASSI { 1262}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 15   and name HB2 ))
      5.200     3.400     0.800 peak  1262 spectrum    1 weight  0.10000E+01 volume  0.34077E-02 ppm1      8.172 ppm2      1.711 CV     1
 ASSI { 1263}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 15   and name HG  ))
      4.100     2.100     1.900 peak  1263 spectrum    1 weight  0.10000E+01 volume  0.76955E-02 ppm1      8.171 ppm2      1.503 CV     1
 ASSI { 1269}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 19   and name HD21))
      3.400     1.500     1.500 peak  1269 spectrum    1 weight  0.10000E+01 volume  0.65551E-02 ppm1      8.103 ppm2      7.394 CV     1
 ASSI { 1271}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 19   and name HD22))
      4.100     2.100     1.900 peak  1271 spectrum    1 weight  0.10000E+01 volume  0.55293E-02 ppm1      8.101 ppm2      6.769 CV     1
 ASSI { 1272}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 19   and name HA  ))
      2.900     1.000     1.000 peak  1272 spectrum    1 weight  0.10000E+01 volume  0.12188E-01 ppm1      8.101 ppm2      4.585 CV     1
 ASSI { 1273}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 16   and name HA  ))
      3.200     1.300     1.300 peak  1273 spectrum    1 weight  0.10000E+01 volume  0.11561E-01 ppm1      8.101 ppm2      4.107 CV     1
 ASSI { 1275}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 19   and name HB2 ))
      2.400     0.700     0.700 peak  1275 spectrum    1 weight  0.10000E+01 volume  0.19591E-01 ppm1      8.102 ppm2      2.851 CV     1
 ASSI { 1276}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 19   and name HB1 ))
      3.700     1.700     1.700 peak  1276 spectrum    1 weight  0.10000E+01 volume  0.14230E-01 ppm1      8.102 ppm2      2.684 CV     1
 ASSI { 1277}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 16   and name HG2 ))
      6.000     6.000     0.000 peak  1277 spectrum    1 weight  0.10000E+01 volume  0.17340E-03 ppm1      8.101 ppm2      2.382 CV     1
 ASSI { 1280}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 18   and name HB  ))
      2.600     0.900     0.900 peak  1280 spectrum    1 weight  0.10000E+01 volume  0.18727E-01 ppm1      8.102 ppm2      1.522 CV     1
 ASSI { 1281}
   (( segid "    " and resid 19   and name HN  ))
   (  segid "    " and resid 22   and name HD1%)
      4.700     2.700     1.300 peak  1281 spectrum    1 weight  0.10000E+01 volume  0.41880E-02 ppm1      8.101 ppm2      1.131 CV     1
 ASSI { 1282}
   (( segid "    " and resid 19   and name HN  ))
   (  segid "    " and resid 22   and name HD2%)
      3.800     1.800     1.800 peak  1282 spectrum    1 weight  0.10000E+01 volume  0.10206E-01 ppm1      8.102 ppm2      0.885 CV     1
 ASSI { 1283}
   (( segid "    " and resid 19   and name HN  ))
   (  segid "    " and resid 18   and name HG2%)
      4.200     2.200     1.800 peak  1283 spectrum    1 weight  0.10000E+01 volume  0.63303E-02 ppm1      8.101 ppm2      0.633 CV     1
 ASSI { 1284}
   (( segid "    " and resid 19   and name HN  ))
   (  segid "    " and resid 18   and name HG1%)
      3.600     1.600     1.600 peak  1284 spectrum    1 weight  0.10000E+01 volume  0.86805E-02 ppm1      8.102 ppm2      0.227 CV     1
 ASSI { 1285}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 80   and name HE21))
      4.900     3.000     1.100 peak  1285 spectrum    1 weight  0.10000E+01 volume  0.16079E-02 ppm1      8.096 ppm2      7.912 CV     1
 ASSI { 1287}
   (( segid "    " and resid 150  and name HN  ))
   (( segid "    " and resid 152  and name HN  ))
      4.400     2.400     1.600 peak  1287 spectrum    1 weight  0.10000E+01 volume  0.69332E-02 ppm1      7.854 ppm2      7.187 CV     1
 ASSI { 1290}
   (( segid "    " and resid 150  and name HN  ))
   (( segid "    " and resid 149  and name HB  ))
      2.600     0.800     0.800 peak  1290 spectrum    1 weight  0.10000E+01 volume  0.15625E-01 ppm1      7.853 ppm2      4.183 CV     1
 ASSI { 1292}
   (( segid "    " and resid 150  and name HN  ))
   (  segid "    " and resid 147  and name HD2%)
      6.000     4.600     0.000 peak  1292 spectrum    1 weight  0.10000E+01 volume  0.86302E-03 ppm1      7.861 ppm2     -0.537 CV     1
 ASSI { 1293}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 68   and name HN  ))
      3.700     1.700     1.700 peak  1293 spectrum    1 weight  0.10000E+01 volume  0.48075E-02 ppm1      7.844 ppm2      6.877 CV     1
 ASSI { 1294}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 70   and name HA  ))
      2.900     1.000     1.000 peak  1294 spectrum    1 weight  0.10000E+01 volume  0.88801E-02 ppm1      7.840 ppm2      4.580 CV     1
 ASSI { 1297}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 66   and name HA  ))
      3.200     1.300     1.300 peak  1297 spectrum    1 weight  0.10000E+01 volume  0.12049E-01 ppm1      7.842 ppm2      3.348 CV     1
 ASSI { 1299}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 69   and name HG  ))
      3.300     1.400     1.400 peak  1299 spectrum    1 weight  0.10000E+01 volume  0.47363E-02 ppm1      7.842 ppm2      1.613 CV     1
 ASSI { 1301}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 98   and name HG11))
      3.100     3.100     2.900 peak  1301 spectrum    1 weight  0.10000E+01 volume  0.22354E-01 ppm1      7.842 ppm2      0.981 CV     1
 ASSI { 1305}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 69   and name HB2 ))
      3.600     1.600     1.600 peak  1305 spectrum    1 weight  0.10000E+01 volume  0.11675E-01 ppm1      7.836 ppm2      2.198 CV     1
 ASSI { 1306}
   (( segid "    " and resid 92   and name HN  ))
   (( segid "    " and resid 93   and name HN  ))
      5.800     4.200     0.200 peak  1306 spectrum    1 weight  0.10000E+01 volume  0.66504E-03 ppm1      9.324 ppm2      8.743 CV     1
 ASSI { 1307}
   (( segid "    " and resid 92   and name HN  ))
   (( segid "    " and resid 10   and name HN  ))
      6.000     4.900     0.000 peak  1307 spectrum    1 weight  0.10000E+01 volume  0.78530E-03 ppm1      9.326 ppm2      8.465 CV     1
 ASSI { 1308}
   (( segid "    " and resid 92   and name HN  ))
   (( segid "    " and resid 48   and name HE21))
      5.700     4.100     0.300 peak  1308 spectrum    1 weight  0.10000E+01 volume  0.48162E-03 ppm1      9.327 ppm2      7.791 CV     1
 ASSI { 1309}
   (( segid "    " and resid 92   and name HN  ))
   (( segid "    " and resid 91   and name HA  ))
      3.100     1.200     1.200 peak  1309 spectrum    1 weight  0.10000E+01 volume  0.12409E-01 ppm1      9.323 ppm2      4.735 CV     1
 ASSI { 1310}
   (( segid "    " and resid 92   and name HN  ))
   (( segid "    " and resid 92   and name HD1 ))
      4.300     2.300     1.700 peak  1310 spectrum    1 weight  0.10000E+01 volume  0.47543E-02 ppm1      9.323 ppm2      3.332 CV     1
 ASSI { 1312}
   (( segid "    " and resid 92   and name HN  ))
   (( segid "    " and resid 11   and name HG  ))
      4.800     2.800     1.200 peak  1312 spectrum    1 weight  0.10000E+01 volume  0.20846E-02 ppm1      9.327 ppm2      0.821 CV     1
 ASSI { 1313}
   (( segid "    " and resid 92   and name HN  ))
   (  segid "    " and resid 11   and name HD2%)
      3.400     1.400     1.400 peak  1313 spectrum    1 weight  0.10000E+01 volume  0.32382E-02 ppm1      9.327 ppm2      0.744 CV     1
 OR { 1313}
   (( segid "    " and resid 92   and name HN  ))
   (  segid "    " and resid 11   and name HD1%)
 ASSI { 1314}
   (( segid "    " and resid 92   and name HN  ))
   (( segid "    " and resid 50   and name HN  ))
      3.000     3.000     3.000 peak  1314 spectrum    1 weight  0.10000E+01 volume  0.99633E-03 ppm1      9.322 ppm2      7.823 CV     1
 ASSI { 1315}
   (( segid "    " and resid 92   and name HN  ))
   (( segid "    " and resid 11   and name HN  ))
      5.100     3.300     0.900 peak  1315 spectrum    1 weight  0.10000E+01 volume  0.23105E-02 ppm1      9.319 ppm2      6.988 CV     1
 ASSI { 1316}
   (( segid "    " and resid 92   and name HN  ))
   (( segid "    " and resid 92   and name HA  ))
      2.600     0.800     0.800 peak  1316 spectrum    1 weight  0.10000E+01 volume  0.48155E-02 ppm1      9.321 ppm2      4.920 CV     1
 ASSI { 1318}
   (( segid "    " and resid 92   and name HN  ))
   (( segid "    " and resid 48   and name HB1 ))
      3.800     1.800     1.800 peak  1318 spectrum    1 weight  0.10000E+01 volume  0.10765E-01 ppm1      9.322 ppm2      2.055 CV     1
 ASSI { 1319}
   (( segid "    " and resid 92   and name HN  ))
   (( segid "    " and resid 91   and name HB2 ))
      3.000     1.200     1.200 peak  1319 spectrum    1 weight  0.10000E+01 volume  0.53157E-02 ppm1      9.319 ppm2      1.809 CV     1
 OR { 1319}
   (( segid "    " and resid 92   and name HN  ))
   (( segid "    " and resid 91   and name HB1 ))
 ASSI { 1320}
   (( segid "    " and resid 92   and name HN  ))
   (( segid "    " and resid 92   and name HB2 ))
      3.400     1.400     1.400 peak  1320 spectrum    1 weight  0.10000E+01 volume  0.22934E-02 ppm1      9.317 ppm2      1.646 CV     1
 ASSI { 1323}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 13   and name HN  ))
      2.400     0.700     0.700 peak  1323 spectrum    1 weight  0.10000E+01 volume  0.21767E-01 ppm1      8.158 ppm2      8.714 CV     1
 ASSI { 1325}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 11   and name HB1 ))
      3.900     1.900     1.900 peak  1325 spectrum    1 weight  0.10000E+01 volume  0.63472E-02 ppm1      8.156 ppm2      0.949 CV     1
 ASSI { 1331}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 77   and name HA  ))
      3.500     1.500     1.500 peak  1331 spectrum    1 weight  0.10000E+01 volume  0.27529E-02 ppm1      7.985 ppm2      3.759 CV     1
 ASSI { 1332}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 76   and name HA  ))
      4.100     2.100     1.900 peak  1332 spectrum    1 weight  0.10000E+01 volume  0.17791E-02 ppm1      7.976 ppm2      3.588 CV     1
 ASSI { 1334}
   (( segid "    " and resid 150  and name HN  ))
   (( segid "    " and resid 149  and name HN  ))
      2.600     0.800     0.800 peak  1334 spectrum    1 weight  0.10000E+01 volume  0.16145E-01 ppm1      7.857 ppm2      8.355 CV     1
 ASSI { 1339}
   (( segid "    " and resid 150  and name HN  ))
   (( segid "    " and resid 150  and name HG1 ))
      3.100     1.200     1.200 peak  1339 spectrum    1 weight  0.10000E+01 volume  0.20648E-01 ppm1      7.857 ppm2      1.442 CV     1
 ASSI { 1342}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 74   and name HN  ))
      5.400     3.600     0.600 peak  1342 spectrum    1 weight  0.10000E+01 volume  0.58002E-03 ppm1      7.775 ppm2      8.936 CV     1
 ASSI { 1345}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 72   and name HB1 ))
      2.600     0.900     0.900 peak  1345 spectrum    1 weight  0.10000E+01 volume  0.14516E-01 ppm1      7.779 ppm2      2.969 CV     1
 ASSI { 1346}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 71   and name HB1 ))
      2.700     0.900     0.900 peak  1346 spectrum    1 weight  0.10000E+01 volume  0.89901E-02 ppm1      7.779 ppm2      2.627 CV     1
 ASSI { 1352}
   (( segid "    " and resid 121  and name HN  ))
   (( segid "    " and resid 122  and name HN  ))
      5.300     3.500     0.700 peak  1352 spectrum    1 weight  0.10000E+01 volume  0.51683E-03 ppm1      6.995 ppm2      9.403 CV     1
 ASSI { 1353}
   (( segid "    " and resid 121  and name HN  ))
   (( segid "    " and resid 119  and name HN  ))
      3.600     1.600     1.600 peak  1353 spectrum    1 weight  0.10000E+01 volume  0.90094E-02 ppm1      7.000 ppm2      8.114 CV     1
 ASSI { 1354}
   (( segid "    " and resid 121  and name HN  ))
   (( segid "    " and resid 120  and name HN  ))
      2.400     0.700     0.700 peak  1354 spectrum    1 weight  0.10000E+01 volume  0.19854E-01 ppm1      6.998 ppm2      7.412 CV     1
 ASSI { 1357}
   (( segid "    " and resid 121  and name HN  ))
   (( segid "    " and resid 120  and name HA  ))
      2.800     1.000     1.000 peak  1357 spectrum    1 weight  0.10000E+01 volume  0.76366E-02 ppm1      6.998 ppm2      5.015 CV     1
 ASSI { 1358}
   (( segid "    " and resid 121  and name HN  ))
   (( segid "    " and resid 121  and name HA  ))
      2.500     0.800     0.800 peak  1358 spectrum    1 weight  0.10000E+01 volume  0.16350E-01 ppm1      6.999 ppm2      4.127 CV     1
 ASSI { 1361}
   (( segid "    " and resid 121  and name HN  ))
   (( segid "    " and resid 120  and name HB1 ))
      4.000     2.000     2.000 peak  1361 spectrum    1 weight  0.10000E+01 volume  0.78492E-02 ppm1      7.000 ppm2      2.494 CV     1
 ASSI { 1362}
   (( segid "    " and resid 121  and name HN  ))
   (( segid "    " and resid 121  and name HD1 ))
      4.500     2.500     1.500 peak  1362 spectrum    1 weight  0.10000E+01 volume  0.73879E-02 ppm1      6.997 ppm2      2.338 CV     1
 ASSI { 1366}
   (( segid "    " and resid 121  and name HN  ))
   (  segid "    " and resid 125  and name HD1%)
      3.200     1.300     1.300 peak  1366 spectrum    1 weight  0.10000E+01 volume  0.52958E-02 ppm1      6.999 ppm2      0.458 CV     1
 OR { 1366}
   (( segid "    " and resid 121  and name HN  ))
   (  segid "    " and resid 125  and name HD2%)
 ASSI { 1367}
   (( segid "    " and resid 121  and name HN  ))
   (( segid "    " and resid 125  and name HG  ))
      3.000     1.100     1.100 peak  1367 spectrum    1 weight  0.10000E+01 volume  0.62280E-02 ppm1      6.999 ppm2      0.335 CV     1
 ASSI { 1368}
   (( segid "    " and resid 121  and name HN  ))
   (( segid "    " and resid 121  and name HB1 ))
      3.600     1.600     1.600 peak  1368 spectrum    1 weight  0.10000E+01 volume  0.70059E-02 ppm1      6.999 ppm2     -0.665 CV     1
 ASSI { 1369}
   (( segid "    " and resid 121  and name HN  ))
   (( segid "    " and resid 124  and name HN  ))
      4.700     2.800     1.300 peak  1369 spectrum    1 weight  0.10000E+01 volume  0.12586E-02 ppm1      6.990 ppm2      6.522 CV     1
 ASSI { 1370}
   (( segid "    " and resid 92   and name HN  ))
   (( segid "    " and resid 10   and name HD22))
      3.300     3.300     2.700 peak  1370 spectrum    1 weight  0.10000E+01 volume  0.64342E-03 ppm1      9.327 ppm2      6.479 CV     1
 ASSI { 1372}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 11   and name HA  ))
      2.500     0.800     0.800 peak  1372 spectrum    1 weight  0.10000E+01 volume  0.18752E-01 ppm1      8.153 ppm2      4.493 CV     1
 ASSI { 1373}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 12   and name HA  ))
      2.700     0.900     0.900 peak  1373 spectrum    1 weight  0.10000E+01 volume  0.23778E-01 ppm1      8.152 ppm2      3.875 CV     1
 ASSI { 1375}
   (( segid "    " and resid 12   and name HN  ))
   (  segid "    " and resid 11   and name HD2%)
      3.900     1.900     1.900 peak  1375 spectrum    1 weight  0.10000E+01 volume  0.14215E-01 ppm1      8.152 ppm2      0.769 CV     1
 OR { 1375}
   (( segid "    " and resid 12   and name HN  ))
   (  segid "    " and resid 11   and name HD1%)
 ASSI { 1376}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 11   and name HN  ))
      3.900     1.900     1.900 peak  1376 spectrum    1 weight  0.10000E+01 volume  0.10179E-02 ppm1      8.147 ppm2      6.979 CV     1
 ASSI { 1377}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 14   and name HD2 ))
      6.000     4.800     0.000 peak  1377 spectrum    1 weight  0.10000E+01 volume  0.20478E-02 ppm1      8.148 ppm2      3.704 CV     1
 ASSI { 1378}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 14   and name HD1 ))
      4.700     2.700     1.300 peak  1378 spectrum    1 weight  0.10000E+01 volume  0.20976E-02 ppm1      8.148 ppm2      3.618 CV     1
 ASSI { 1380}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 77   and name HG2 ))
      5.300     3.500     0.700 peak  1380 spectrum    1 weight  0.10000E+01 volume  0.18695E-02 ppm1      7.982 ppm2      2.866 CV     1
 ASSI { 1383}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 78   and name HB1 ))
      3.000     1.100     1.100 peak  1383 spectrum    1 weight  0.10000E+01 volume  0.37218E-01 ppm1      7.982 ppm2      1.797 CV     1
 ASSI { 1387}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 78   and name HG  ))
      2.300     0.600     0.600 peak  1387 spectrum    1 weight  0.10000E+01 volume  0.13619E-01 ppm1      7.983 ppm2      0.976 CV     1
 ASSI { 1388}
   (( segid "    " and resid 78   and name HN  ))
   (  segid "    " and resid 76   and name HG2%)
      4.100     2.100     1.900 peak  1388 spectrum    1 weight  0.10000E+01 volume  0.58296E-02 ppm1      7.983 ppm2      0.812 CV     1
 ASSI { 1391}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 71   and name HD21))
      4.100     2.100     1.900 peak  1391 spectrum    1 weight  0.10000E+01 volume  0.34000E-02 ppm1      7.780 ppm2      7.467 CV     1
 ASSI { 1394}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 69   and name HA  ))
      3.100     1.200     1.200 peak  1394 spectrum    1 weight  0.10000E+01 volume  0.72555E-02 ppm1      7.777 ppm2      4.187 CV     1
 ASSI { 1395}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 73   and name HB  ))
      6.000     5.000     0.000 peak  1395 spectrum    1 weight  0.10000E+01 volume  0.58022E-03 ppm1      7.779 ppm2      3.951 CV     1
 ASSI { 1396}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 72   and name HB2 ))
      3.600     1.600     1.600 peak  1396 spectrum    1 weight  0.10000E+01 volume  0.15303E-01 ppm1      7.777 ppm2      3.453 CV     1
 ASSI { 1398}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 69   and name HB1 ))
      6.000     4.600     0.000 peak  1398 spectrum    1 weight  0.10000E+01 volume  0.50448E-03 ppm1      7.777 ppm2      1.327 CV     1
 ASSI { 1404}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 31   and name HB2 ))
      6.000     6.000     0.000 peak  1404 spectrum    1 weight  0.10000E+01 volume  0.18857E-03 ppm1      7.336 ppm2      3.625 CV     1
 OR { 1404}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 31   and name HB1 ))
 ASSI { 1405}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 25   and name HB1 ))
      6.000     4.700     0.000 peak  1405 spectrum    1 weight  0.10000E+01 volume  0.60891E-03 ppm1      7.335 ppm2      1.211 CV     1
 ASSI { 1427}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 25   and name HN  ))
      4.600     2.700     1.400 peak  1427 spectrum    1 weight  0.10000E+01 volume  0.21792E-02 ppm1      7.336 ppm2      9.357 CV     1
 ASSI { 1428}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 26   and name HN  ))
      2.700     0.900     0.900 peak  1428 spectrum    1 weight  0.10000E+01 volume  0.19579E-01 ppm1      7.334 ppm2      7.500 CV     1
 ASSI { 1430}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 28   and name HN  ))
      2.900     1.100     1.100 peak  1430 spectrum    1 weight  0.10000E+01 volume  0.27581E-01 ppm1      7.334 ppm2      7.157 CV     1
 ASSI { 1431}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 27   and name HA  ))
      2.800     1.000     1.000 peak  1431 spectrum    1 weight  0.10000E+01 volume  0.19747E-01 ppm1      7.334 ppm2      4.946 CV     1
 ASSI { 1432}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 24   and name HA  ))
      3.200     1.300     1.300 peak  1432 spectrum    1 weight  0.10000E+01 volume  0.85281E-02 ppm1      7.335 ppm2      4.201 CV     1
 ASSI { 1433}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 26   and name HA1 ))
      2.600     0.900     0.900 peak  1433 spectrum    1 weight  0.10000E+01 volume  0.21439E-01 ppm1      7.335 ppm2      3.879 CV     1
 ASSI { 1434}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 27   and name HB2 ))
      3.100     1.200     1.200 peak  1434 spectrum    1 weight  0.10000E+01 volume  0.20541E-01 ppm1      7.335 ppm2      2.930 CV     1
 ASSI { 1435}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 27   and name HB1 ))
      2.600     0.800     0.800 peak  1435 spectrum    1 weight  0.10000E+01 volume  0.29245E-01 ppm1      7.335 ppm2      2.589 CV     1
 ASSI { 1436}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 28   and name HG11))
      3.200     1.300     1.300 peak  1436 spectrum    1 weight  0.10000E+01 volume  0.90103E-02 ppm1      7.334 ppm2      2.097 CV     1
 OR { 1436}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 28   and name HG12))
 ASSI { 1447}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 11   and name HA  ))
      3.000     1.100     1.100 peak  1447 spectrum    1 weight  0.10000E+01 volume  0.69608E-02 ppm1      6.983 ppm2      4.484 CV     1
 ASSI { 1449}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 93   and name HA  ))
      3.000     1.100     1.100 peak  1449 spectrum    1 weight  0.10000E+01 volume  0.85453E-02 ppm1      6.981 ppm2      4.011 CV     1
 ASSI { 1451}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 11   and name HB1 ))
      3.800     1.800     1.800 peak  1451 spectrum    1 weight  0.10000E+01 volume  0.73530E-02 ppm1      6.979 ppm2      0.950 CV     1
 ASSI { 1452}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 13   and name HN  ))
      6.000     5.700     0.000 peak  1452 spectrum    1 weight  0.10000E+01 volume  0.35017E-03 ppm1      6.978 ppm2      8.729 CV     1
 ASSI { 1454}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 65   and name HN  ))
      4.300     2.300     1.700 peak  1454 spectrum    1 weight  0.10000E+01 volume  0.29120E-02 ppm1      6.881 ppm2      8.379 CV     1
 ASSI { 1456}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 66   and name HA  ))
      4.100     2.100     1.900 peak  1456 spectrum    1 weight  0.10000E+01 volume  0.34584E-02 ppm1      6.880 ppm2      3.359 CV     1
 ASSI { 1457}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 66   and name HB1 ))
      6.000     5.000     0.000 peak  1457 spectrum    1 weight  0.10000E+01 volume  0.89160E-03 ppm1      6.878 ppm2      0.559 CV     1
 ASSI { 1467}
   (( segid "    " and resid 89   and name HN  ))
   (( segid "    " and resid 89   and name HA  ))
      4.800     2.800     1.200 peak  1467 spectrum    1 weight  0.10000E+01 volume  0.58898E-03 ppm1      9.362 ppm2      4.449 CV     1
 ASSI { 1470}
   (( segid "    " and resid 89   and name HN  ))
   (( segid "    " and resid 88   and name HA  ))
      3.400     1.500     1.500 peak  1470 spectrum    1 weight  0.10000E+01 volume  0.69392E-02 ppm1      9.354 ppm2      4.073 CV     1
 ASSI { 1471}
   (( segid "    " and resid 89   and name HN  ))
   (( segid "    " and resid 89   and name HB2 ))
      4.200     2.200     1.800 peak  1471 spectrum    1 weight  0.10000E+01 volume  0.95035E-03 ppm1      9.353 ppm2      3.564 CV     1
 OR { 1471}
   (( segid "    " and resid 89   and name HN  ))
   (( segid "    " and resid 89   and name HB1 ))
 ASSI { 1474}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 42   and name HN  ))
      4.800     2.900     1.200 peak  1474 spectrum    1 weight  0.10000E+01 volume  0.44905E-03 ppm1      8.829 ppm2     10.281 CV     1
 ASSI { 1476}
   (( segid "    " and resid 53   and name HN  ))
   (  segid "    " and resid 53   and name HD% )
      2.900     1.000     1.000 peak  1476 spectrum    1 weight  0.10000E+01 volume  0.76153E-02 ppm1      8.834 ppm2      6.527 CV     1
 ASSI { 1480}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 44   and name HD1 ))
      4.500     2.600     1.500 peak  1480 spectrum    1 weight  0.10000E+01 volume  0.17147E-02 ppm1      8.835 ppm2      3.826 CV     1
 ASSI { 1481}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 53   and name HB2 ))
      3.700     1.700     1.700 peak  1481 spectrum    1 weight  0.10000E+01 volume  0.70075E-02 ppm1      8.836 ppm2      2.892 CV     1
 ASSI { 1482}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 52   and name HB2 ))
      4.500     2.500     1.500 peak  1482 spectrum    1 weight  0.10000E+01 volume  0.45652E-02 ppm1      8.837 ppm2      2.631 CV     1
 ASSI { 1483}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 44   and name HG1 ))
      2.900     1.000     1.000 peak  1483 spectrum    1 weight  0.10000E+01 volume  0.98931E-02 ppm1      8.835 ppm2      2.206 CV     1
 OR { 1483}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 44   and name HG2 ))
 ASSI { 1513}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 67   and name HN  ))
      2.400     0.700     0.700 peak  1513 spectrum    1 weight  0.10000E+01 volume  0.14017E-01 ppm1      6.878 ppm2      8.729 CV     1
 ASSI { 1515}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 72   and name HD2 ))
      6.000     5.200     0.000 peak  1515 spectrum    1 weight  0.10000E+01 volume  0.89359E-03 ppm1      6.880 ppm2      7.241 CV     1
 ASSI { 1518}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 68   and name HA  ))
      2.800     1.000     1.000 peak  1518 spectrum    1 weight  0.10000E+01 volume  0.12135E-01 ppm1      6.879 ppm2      4.345 CV     1
 ASSI { 1519}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 69   and name HA  ))
      4.600     2.700     1.400 peak  1519 spectrum    1 weight  0.10000E+01 volume  0.33741E-02 ppm1      6.879 ppm2      4.211 CV     1
 ASSI { 1521}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 68   and name HG1 ))
      3.900     1.900     1.900 peak  1521 spectrum    1 weight  0.10000E+01 volume  0.11100E-01 ppm1      6.877 ppm2      2.409 CV     1
 OR { 1521}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 68   and name HG2 ))
 ASSI { 1522}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 69   and name HB2 ))
      3.200     3.200     2.800 peak  1522 spectrum    1 weight  0.10000E+01 volume  0.41284E-01 ppm1      6.878 ppm2      2.221 CV     1
 ASSI { 1523}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 67   and name HB2 ))
      2.600     0.900     0.900 peak  1523 spectrum    1 weight  0.10000E+01 volume  0.15937E-01 ppm1      6.878 ppm2      1.852 CV     1
 OR { 1523}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 67   and name HB1 ))
 ASSI { 1525}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 66   and name HB2 ))
      3.800     1.800     1.800 peak  1525 spectrum    1 weight  0.10000E+01 volume  0.10430E-01 ppm1      6.879 ppm2      1.300 CV     1
 ASSI { 1528}
   (( segid "    " and resid 68   and name HN  ))
   (  segid "    " and resid 64   and name HD2%)
      5.300     3.500     0.700 peak  1528 spectrum    1 weight  0.10000E+01 volume  0.56637E-02 ppm1      6.879 ppm2      0.720 CV     1
 OR { 1528}
   (( segid "    " and resid 68   and name HN  ))
   (  segid "    " and resid 64   and name HD1%)
 ASSI { 1531}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 65   and name HA  ))
      5.400     3.700     0.600 peak  1531 spectrum    1 weight  0.10000E+01 volume  0.10178E-02 ppm1      6.873 ppm2      4.604 CV     1
 ASSI { 1533}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 52   and name HN  ))
      4.600     2.600     1.400 peak  1533 spectrum    1 weight  0.10000E+01 volume  0.10750E-02 ppm1      8.830 ppm2      8.041 CV     1
 ASSI { 1534}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 43   and name HA  ))
      6.000     5.200     0.000 peak  1534 spectrum    1 weight  0.10000E+01 volume  0.90283E-03 ppm1      8.832 ppm2      5.109 CV     1
 ASSI { 1535}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 53   and name HA  ))
      3.200     1.300     1.300 peak  1535 spectrum    1 weight  0.10000E+01 volume  0.40014E-02 ppm1      8.835 ppm2      4.364 CV     1
 ASSI { 1542}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 19   and name HA  ))
      4.100     2.100     1.900 peak  1542 spectrum    1 weight  0.10000E+01 volume  0.57816E-02 ppm1      8.513 ppm2      4.582 CV     1
 ASSI { 1543}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 21   and name HA  ))
      3.400     1.400     1.400 peak  1543 spectrum    1 weight  0.10000E+01 volume  0.62586E-02 ppm1      8.513 ppm2      4.137 CV     1
 ASSI { 1544}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 22   and name HA  ))
      2.700     0.900     0.900 peak  1544 spectrum    1 weight  0.10000E+01 volume  0.16154E-01 ppm1      8.512 ppm2      3.966 CV     1
 ASSI { 1545}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 18   and name HA  ))
      3.700     1.700     1.700 peak  1545 spectrum    1 weight  0.10000E+01 volume  0.29773E-02 ppm1      8.512 ppm2      3.424 CV     1
 ASSI { 1546}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 19   and name HB1 ))
      6.000     5.300     0.000 peak  1546 spectrum    1 weight  0.10000E+01 volume  0.45068E-03 ppm1      8.507 ppm2      2.697 CV     1
 ASSI { 1547}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 22   and name HB2 ))
      3.100     1.200     1.200 peak  1547 spectrum    1 weight  0.10000E+01 volume  0.26787E-01 ppm1      8.511 ppm2      2.051 CV     1
 ASSI { 1548}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 22   and name HG  ))
      2.100     0.500     0.500 peak  1548 spectrum    1 weight  0.10000E+01 volume  0.34424E-01 ppm1      8.512 ppm2      1.913 CV     1
 ASSI { 1551}
   (( segid "    " and resid 22   and name HN  ))
   (  segid "    " and resid 22   and name HD1%)
      3.800     1.800     1.800 peak  1551 spectrum    1 weight  0.10000E+01 volume  0.17218E-01 ppm1      8.511 ppm2      1.129 CV     1
 ASSI { 1554}
   (( segid "    " and resid 22   and name HN  ))
   (  segid "    " and resid 18   and name HG1%)
      3.800     1.800     1.800 peak  1554 spectrum    1 weight  0.10000E+01 volume  0.42888E-02 ppm1      8.513 ppm2      0.224 CV     1
 ASSI { 1555}
   (( segid "    " and resid 104  and name HN  ))
   (( segid "    " and resid 103  and name HN  ))
      2.300     0.700     0.700 peak  1555 spectrum    1 weight  0.10000E+01 volume  0.18726E-01 ppm1      8.326 ppm2      9.231 CV     1
 ASSI { 1556}
   (( segid "    " and resid 104  and name HN  ))
   (  segid "    " and resid 101  and name HD% )
      4.100     2.100     1.900 peak  1556 spectrum    1 weight  0.10000E+01 volume  0.41627E-02 ppm1      8.327 ppm2      7.022 CV     1
 ASSI { 1557}
   (( segid "    " and resid 104  and name HN  ))
   (( segid "    " and resid 103  and name HA  ))
      2.800     1.000     1.000 peak  1557 spectrum    1 weight  0.10000E+01 volume  0.10586E-01 ppm1      8.325 ppm2      5.173 CV     1
 ASSI { 1559}
   (( segid "    " and resid 104  and name HN  ))
   (( segid "    " and resid 101  and name HA  ))
      5.200     3.300     0.800 peak  1559 spectrum    1 weight  0.10000E+01 volume  0.12436E-02 ppm1      8.323 ppm2      4.560 CV     1
 ASSI { 1560}
   (( segid "    " and resid 104  and name HN  ))
   (( segid "    " and resid 104  and name HA  ))
      2.700     0.900     0.900 peak  1560 spectrum    1 weight  0.10000E+01 volume  0.14955E-01 ppm1      8.327 ppm2      4.261 CV     1
 ASSI { 1561}
   (( segid "    " and resid 104  and name HN  ))
   (( segid "    " and resid 102  and name HA1 ))
      3.500     1.600     1.600 peak  1561 spectrum    1 weight  0.10000E+01 volume  0.13384E-01 ppm1      8.325 ppm2      3.879 CV     1
 ASSI { 1562}
   (( segid "    " and resid 104  and name HN  ))
   (( segid "    " and resid 101  and name HB2 ))
      6.000     4.800     0.000 peak  1562 spectrum    1 weight  0.10000E+01 volume  0.10212E-02 ppm1      8.325 ppm2      3.335 CV     1
 ASSI { 1563}
   (( segid "    " and resid 104  and name HN  ))
   (( segid "    " and resid 103  and name HB2 ))
      4.700     2.700     1.300 peak  1563 spectrum    1 weight  0.10000E+01 volume  0.37584E-02 ppm1      8.325 ppm2      2.997 CV     1
 ASSI { 1564}
   (( segid "    " and resid 104  and name HN  ))
   (( segid "    " and resid 104  and name HG1 ))
      2.400     0.700     0.700 peak  1564 spectrum    1 weight  0.10000E+01 volume  0.46471E-01 ppm1      8.326 ppm2      2.549 CV     1
 ASSI { 1565}
   (( segid "    " and resid 104  and name HN  ))
   (( segid "    " and resid 104  and name HB2 ))
      3.100     1.200     1.200 peak  1565 spectrum    1 weight  0.10000E+01 volume  0.25306E-01 ppm1      8.326 ppm2      2.393 CV     1
 ASSI { 1566}
   (( segid "    " and resid 104  and name HN  ))
   (( segid "    " and resid 104  and name HB1 ))
      3.200     1.300     1.300 peak  1566 spectrum    1 weight  0.10000E+01 volume  0.17011E-01 ppm1      8.326 ppm2      2.178 CV     1
 ASSI { 1568}
   (( segid "    " and resid 104  and name HN  ))
   (  segid "    " and resid 113  and name HG2%)
      4.400     2.400     1.600 peak  1568 spectrum    1 weight  0.10000E+01 volume  0.28500E-02 ppm1      8.326 ppm2      1.155 CV     1
 ASSI { 1570}
   (( segid "    " and resid 104  and name HN  ))
   (  segid "    " and resid 113  and name HG1%)
      5.100     3.300     0.900 peak  1570 spectrum    1 weight  0.10000E+01 volume  0.19517E-03 ppm1      8.324 ppm2      0.874 CV     1
 ASSI { 1582}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 41   and name HG1 ))
      6.000     5.200     0.000 peak  1582 spectrum    1 weight  0.10000E+01 volume  0.50745E-03 ppm1      8.043 ppm2      1.291 CV     1
 ASSI { 1584}
   (( segid "    " and resid 124  and name HN  ))
   (( segid "    " and resid 125  and name HN  ))
      2.400     0.700     0.700 peak  1584 spectrum    1 weight  0.10000E+01 volume  0.14028E-01 ppm1      6.514 ppm2      7.611 CV     1
 ASSI { 1585}
   (( segid "    " and resid 124  and name HN  ))
   (( segid "    " and resid 123  and name HN  ))
      2.300     0.700     0.700 peak  1585 spectrum    1 weight  0.10000E+01 volume  0.99966E-02 ppm1      6.515 ppm2      6.944 CV     1
 ASSI { 1590}
   (( segid "    " and resid 124  and name HN  ))
   (( segid "    " and resid 123  and name HB2 ))
      3.500     1.500     1.500 peak  1590 spectrum    1 weight  0.10000E+01 volume  0.17092E-02 ppm1      6.512 ppm2      3.353 CV     1
 ASSI { 1591}
   (( segid "    " and resid 124  and name HN  ))
   (( segid "    " and resid 122  and name HA1 ))
      4.500     2.500     1.500 peak  1591 spectrum    1 weight  0.10000E+01 volume  0.27279E-02 ppm1      6.516 ppm2      2.851 CV     1
 ASSI { 1592}
   (( segid "    " and resid 124  and name HN  ))
   (( segid "    " and resid 124  and name HB2 ))
      2.600     0.800     0.800 peak  1592 spectrum    1 weight  0.10000E+01 volume  0.12163E-01 ppm1      6.514 ppm2      2.167 CV     1
 OR { 1592}
   (( segid "    " and resid 124  and name HN  ))
   (( segid "    " and resid 124  and name HB1 ))
 ASSI { 1595}
   (( segid "    " and resid 124  and name HN  ))
   (( segid "    " and resid 121  and name HG2 ))
      4.700     2.800     1.300 peak  1595 spectrum    1 weight  0.10000E+01 volume  0.47573E-02 ppm1      6.514 ppm2      1.338 CV     1
 ASSI { 1596}
   (( segid "    " and resid 124  and name HN  ))
   (( segid "    " and resid 125  and name HB2 ))
      4.300     2.300     1.700 peak  1596 spectrum    1 weight  0.10000E+01 volume  0.27798E-02 ppm1      6.515 ppm2      1.027 CV     1
 ASSI { 1599}
   (( segid "    " and resid 124  and name HN  ))
   (( segid "    " and resid 121  and name HB2 ))
      3.200     1.300     1.300 peak  1599 spectrum    1 weight  0.10000E+01 volume  0.41806E-02 ppm1      6.514 ppm2      0.863 CV     1
 ASSI { 1600}
   (( segid "    " and resid 124  and name HN  ))
   (( segid "    " and resid 155  and name HG  ))
      4.500     2.500     1.500 peak  1600 spectrum    1 weight  0.10000E+01 volume  0.33205E-02 ppm1      6.518 ppm2      0.803 CV     1
 ASSI { 1601}
   (( segid "    " and resid 124  and name HN  ))
   (  segid "    " and resid 125  and name HD1%)
      4.500     2.600     1.500 peak  1601 spectrum    1 weight  0.10000E+01 volume  0.60810E-02 ppm1      6.515 ppm2      0.470 CV     1
 OR { 1601}
   (( segid "    " and resid 124  and name HN  ))
   (  segid "    " and resid 125  and name HD2%)
 ASSI { 1602}
   (( segid "    " and resid 124  and name HN  ))
   (( segid "    " and resid 121  and name HB1 ))
      3.900     1.900     1.900 peak  1602 spectrum    1 weight  0.10000E+01 volume  0.35686E-02 ppm1      6.513 ppm2     -0.664 CV     1
 ASSI { 1607}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 44   and name HD2 ))
      4.400     2.400     1.600 peak  1607 spectrum    1 weight  0.10000E+01 volume  0.20895E-02 ppm1      8.041 ppm2      4.109 CV     1
 ASSI { 1608}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 51   and name HD2 ))
      3.300     1.400     1.400 peak  1608 spectrum    1 weight  0.10000E+01 volume  0.29017E-02 ppm1      8.041 ppm2      3.845 CV     1
 ASSI { 1609}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 52   and name HB2 ))
      2.900     1.100     1.100 peak  1609 spectrum    1 weight  0.10000E+01 volume  0.54916E-02 ppm1      8.042 ppm2      2.668 CV     1
 ASSI { 1610}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 52   and name HB1 ))
      2.900     1.000     1.000 peak  1610 spectrum    1 weight  0.10000E+01 volume  0.24566E-01 ppm1      8.040 ppm2      2.430 CV     1
 ASSI { 1611}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 51   and name HG2 ))
      3.500     1.500     1.500 peak  1611 spectrum    1 weight  0.10000E+01 volume  0.15100E-01 ppm1      8.040 ppm2      2.151 CV     1
 OR { 1611}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 51   and name HB1 ))
 ASSI { 1612}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 51   and name HG1 ))
      4.700     2.800     1.300 peak  1612 spectrum    1 weight  0.10000E+01 volume  0.67691E-02 ppm1      8.040 ppm2      1.864 CV     1
 ASSI { 1613}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 41   and name HG2 ))
      6.000     4.800     0.000 peak  1613 spectrum    1 weight  0.10000E+01 volume  0.83448E-03 ppm1      8.040 ppm2      1.627 CV     1
 ASSI { 1619}
   (( segid "    " and resid 152  and name HN  ))
   (( segid "    " and resid 126  and name HA  ))
      5.500     3.700     0.500 peak  1619 spectrum    1 weight  0.10000E+01 volume  0.11946E-02 ppm1      7.228 ppm2      4.803 CV     1
 ASSI { 1628}
   (( segid "    " and resid 152  and name HN  ))
   (  segid "    " and resid 152  and name HD% )
      2.500     0.800     0.800 peak  1628 spectrum    1 weight  0.10000E+01 volume  0.16314E-01 ppm1      7.209 ppm2      7.045 CV     1
 ASSI { 1631}
   (( segid "    " and resid 152  and name HN  ))
   (( segid "    " and resid 152  and name HA  ))
      2.600     0.900     0.900 peak  1631 spectrum    1 weight  0.10000E+01 volume  0.19061E-01 ppm1      7.208 ppm2      4.630 CV     1
 ASSI { 1632}
   (( segid "    " and resid 152  and name HN  ))
   (( segid "    " and resid 151  and name HA  ))
      2.300     0.700     0.700 peak  1632 spectrum    1 weight  0.10000E+01 volume  0.39477E-01 ppm1      7.208 ppm2      4.078 CV     1
 ASSI { 1633}
   (( segid "    " and resid 152  and name HN  ))
   (( segid "    " and resid 147  and name HA  ))
      4.000     2.000     2.000 peak  1633 spectrum    1 weight  0.10000E+01 volume  0.28356E-02 ppm1      7.209 ppm2      3.684 CV     1
 ASSI { 1634}
   (( segid "    " and resid 152  and name HN  ))
   (( segid "    " and resid 152  and name HB2 ))
      2.200     0.600     0.600 peak  1634 spectrum    1 weight  0.10000E+01 volume  0.18387E-01 ppm1      7.208 ppm2      3.379 CV     1
 ASSI { 1635}
   (( segid "    " and resid 152  and name HN  ))
   (( segid "    " and resid 152  and name HB1 ))
      3.100     1.200     1.200 peak  1635 spectrum    1 weight  0.10000E+01 volume  0.25061E-01 ppm1      7.208 ppm2      2.672 CV     1
 ASSI { 1636}
   (( segid "    " and resid 152  and name HN  ))
   (  segid "    " and resid 151  and name HB% )
      3.400     1.500     1.500 peak  1636 spectrum    1 weight  0.10000E+01 volume  0.18174E-01 ppm1      7.208 ppm2      1.203 CV     1
 ASSI { 1637}
   (( segid "    " and resid 152  and name HN  ))
   (( segid "    " and resid 147  and name HG  ))
      2.200     2.200     3.800 peak  1637 spectrum    1 weight  0.10000E+01 volume  0.76828E-02 ppm1      7.212 ppm2      0.900 CV     1
 ASSI { 1639}
   (( segid "    " and resid 152  and name HN  ))
   (  segid "    " and resid 147  and name HD2%)
      3.200     1.300     1.300 peak  1639 spectrum    1 weight  0.10000E+01 volume  0.39685E-02 ppm1      7.210 ppm2     -0.546 CV     1
 ASSI { 1664}
   (( segid "    " and resid 126  and name HN  ))
   (( segid "    " and resid 126  and name HE3 ))
      5.200     3.400     0.800 peak  1664 spectrum    1 weight  0.10000E+01 volume  0.26830E-02 ppm1      8.705 ppm2      7.801 CV     1
 ASSI { 1665}
   (( segid "    " and resid 126  and name HN  ))
   (( segid "    " and resid 125  and name HN  ))
      2.900     1.000     1.000 peak  1665 spectrum    1 weight  0.10000E+01 volume  0.74200E-02 ppm1      8.704 ppm2      7.626 CV     1
 ASSI { 1666}
   (( segid "    " and resid 126  and name HN  ))
   (  segid "    " and resid 152  and name HD% )
      5.500     3.700     0.500 peak  1666 spectrum    1 weight  0.10000E+01 volume  0.48990E-02 ppm1      8.703 ppm2      7.034 CV     1
 ASSI { 1667}
   (( segid "    " and resid 126  and name HN  ))
   (( segid "    " and resid 126  and name HD1 ))
      4.000     2.000     2.000 peak  1667 spectrum    1 weight  0.10000E+01 volume  0.60439E-02 ppm1      8.706 ppm2      6.713 CV     1
 ASSI { 1668}
   (( segid "    " and resid 126  and name HN  ))
   (( segid "    " and resid 124  and name HN  ))
      3.400     1.400     1.400 peak  1668 spectrum    1 weight  0.10000E+01 volume  0.66654E-02 ppm1      8.705 ppm2      6.532 CV     1
 ASSI { 1669}
   (( segid "    " and resid 126  and name HN  ))
   (( segid "    " and resid 126  and name HA  ))
      2.600     0.800     0.800 peak  1669 spectrum    1 weight  0.10000E+01 volume  0.12888E-01 ppm1      8.707 ppm2      4.787 CV     1
 ASSI { 1670}
   (( segid "    " and resid 126  and name HN  ))
   (( segid "    " and resid 123  and name HA  ))
      4.400     2.400     1.600 peak  1670 spectrum    1 weight  0.10000E+01 volume  0.26490E-02 ppm1      8.706 ppm2      4.354 CV     1
 ASSI { 1674}
   (( segid "    " and resid 126  and name HN  ))
   (( segid "    " and resid 126  and name HB2 ))
      2.100     0.500     0.500 peak  1674 spectrum    1 weight  0.10000E+01 volume  0.41344E-01 ppm1      8.704 ppm2      3.148 CV     1
 ASSI { 1675}
   (( segid "    " and resid 126  and name HN  ))
   (( segid "    " and resid 126  and name HB1 ))
      2.100     0.600     0.600 peak  1675 spectrum    1 weight  0.10000E+01 volume  0.23897E-01 ppm1      8.706 ppm2      2.953 CV     1
 ASSI { 1676}
   (( segid "    " and resid 126  and name HN  ))
   (( segid "    " and resid 127  and name HG2 ))
      4.800     2.900     1.200 peak  1676 spectrum    1 weight  0.10000E+01 volume  0.40042E-02 ppm1      8.706 ppm2      2.067 CV     1
 ASSI { 1677}
   (( segid "    " and resid 126  and name HN  ))
   (( segid "    " and resid 128  and name HB2 ))
      4.300     2.300     1.700 peak  1677 spectrum    1 weight  0.10000E+01 volume  0.43225E-02 ppm1      8.707 ppm2      2.025 CV     1
 ASSI { 1681}
   (( segid "    " and resid 126  and name HN  ))
   (( segid "    " and resid 125  and name HB1 ))
      2.900     1.000     1.000 peak  1681 spectrum    1 weight  0.10000E+01 volume  0.17071E-01 ppm1      8.704 ppm2      0.958 CV     1
 ASSI { 1682}
   (( segid "    " and resid 126  and name HN  ))
   (( segid "    " and resid 155  and name HG  ))
      4.000     2.000     2.000 peak  1682 spectrum    1 weight  0.10000E+01 volume  0.69246E-02 ppm1      8.702 ppm2      0.790 CV     1
 ASSI { 1684}
   (( segid "    " and resid 126  and name HN  ))
   (( segid "    " and resid 125  and name HG  ))
      4.000     2.000     2.000 peak  1684 spectrum    1 weight  0.10000E+01 volume  0.58183E-02 ppm1      8.709 ppm2      0.334 CV     1
 ASSI { 1686}
   (( segid "    " and resid 126  and name HN  ))
   (  segid "    " and resid 147  and name HD2%)
      3.700     1.800     1.800 peak  1686 spectrum    1 weight  0.10000E+01 volume  0.37800E-02 ppm1      8.703 ppm2     -0.553 CV     1
 ASSI { 1688}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 50   and name HA  ))
      2.500     0.800     0.800 peak  1688 spectrum    1 weight  0.10000E+01 volume  0.82259E-02 ppm1      7.823 ppm2      4.878 CV     1
 ASSI { 1689}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 49   and name HA  ))
      2.600     0.800     0.800 peak  1689 spectrum    1 weight  0.10000E+01 volume  0.29964E-01 ppm1      7.822 ppm2      4.670 CV     1
 ASSI { 1692}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 51   and name HD1 ))
      2.600     0.900     0.900 peak  1692 spectrum    1 weight  0.10000E+01 volume  0.33174E-02 ppm1      7.817 ppm2      3.421 CV     1
 ASSI { 1693}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 49   and name HB1 ))
      3.100     1.200     1.200 peak  1693 spectrum    1 weight  0.10000E+01 volume  0.19211E-01 ppm1      7.817 ppm2      2.670 CV     1
 ASSI { 1694}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 50   and name HG2 ))
      2.700     0.900     0.900 peak  1694 spectrum    1 weight  0.10000E+01 volume  0.14993E-01 ppm1      7.819 ppm2      2.358 CV     1
 OR { 1694}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 50   and name HG1 ))
 ASSI { 1695}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 50   and name HB2 ))
      2.700     0.900     0.900 peak  1695 spectrum    1 weight  0.10000E+01 volume  0.41327E-01 ppm1      7.821 ppm2      2.024 CV     1
 OR { 1695}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 50   and name HB1 ))
 ASSI { 1696}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 69   and name HN  ))
      5.600     4.000     0.400 peak  1696 spectrum    1 weight  0.10000E+01 volume  0.38503E-03 ppm1      7.799 ppm2      8.232 CV     1
 ASSI { 1698}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 73   and name HN  ))
      5.200     3.400     0.800 peak  1698 spectrum    1 weight  0.10000E+01 volume  0.75553E-03 ppm1      7.792 ppm2      9.338 CV     1
 ASSI { 1699}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 71   and name HD21))
      4.700     2.800     1.300 peak  1699 spectrum    1 weight  0.10000E+01 volume  0.66782E-02 ppm1      7.793 ppm2      7.457 CV     1
 ASSI { 1702}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 67   and name HA  ))
      3.700     1.700     1.700 peak  1702 spectrum    1 weight  0.10000E+01 volume  0.35911E-02 ppm1      7.796 ppm2      3.656 CV     1
 ASSI { 1703}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 71   and name HB2 ))
      2.700     0.900     0.900 peak  1703 spectrum    1 weight  0.10000E+01 volume  0.16555E-01 ppm1      7.795 ppm2      3.090 CV     1
 ASSI { 1705}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 70   and name HB1 ))
      2.700     0.900     0.900 peak  1705 spectrum    1 weight  0.10000E+01 volume  0.97627E-02 ppm1      7.791 ppm2      1.025 CV     1
 ASSI { 1707}
   (( segid "    " and resid 71   and name HN  ))
   (  segid "    " and resid 70   and name HD2%)
      3.500     1.500     1.500 peak  1707 spectrum    1 weight  0.10000E+01 volume  0.74825E-02 ppm1      7.794 ppm2      0.489 CV     1
 ASSI { 1711}
   (( segid "    " and resid 130  and name HN  ))
   (( segid "    " and resid 132  and name HN  ))
      3.700     1.700     1.700 peak  1711 spectrum    1 weight  0.10000E+01 volume  0.51330E-02 ppm1      7.744 ppm2      8.302 CV     1
 ASSI { 1713}
   (( segid "    " and resid 130  and name HN  ))
   (  segid "    " and resid 129  and name HD% )
      3.500     1.600     1.600 peak  1713 spectrum    1 weight  0.10000E+01 volume  0.78403E-02 ppm1      7.744 ppm2      7.187 CV     1
 ASSI { 1714}
   (( segid "    " and resid 130  and name HN  ))
   (( segid "    " and resid 131  and name HN  ))
      2.600     0.900     0.900 peak  1714 spectrum    1 weight  0.10000E+01 volume  0.12156E-01 ppm1      7.745 ppm2      6.931 CV     1
 ASSI { 1715}
   (( segid "    " and resid 130  and name HN  ))
   (( segid "    " and resid 128  and name HN  ))
      3.800     1.800     1.800 peak  1715 spectrum    1 weight  0.10000E+01 volume  0.48354E-02 ppm1      7.743 ppm2      6.566 CV     1
 ASSI { 1716}
   (( segid "    " and resid 130  and name HN  ))
   (( segid "    " and resid 132  and name HA  ))
      3.900     1.900     1.900 peak  1716 spectrum    1 weight  0.10000E+01 volume  0.42970E-02 ppm1      7.743 ppm2      4.798 CV     1
 ASSI { 1718}
   (( segid "    " and resid 130  and name HN  ))
   (( segid "    " and resid 37   and name HB1 ))
      5.100     3.200     0.900 peak  1718 spectrum    1 weight  0.10000E+01 volume  0.70375E-03 ppm1      7.746 ppm2      4.077 CV     1
 ASSI { 1720}
   (( segid "    " and resid 130  and name HN  ))
   (( segid "    " and resid 129  and name HB2 ))
      3.800     1.800     1.800 peak  1720 spectrum    1 weight  0.10000E+01 volume  0.70303E-02 ppm1      7.744 ppm2      3.168 CV     1
 ASSI { 1721}
   (( segid "    " and resid 130  and name HN  ))
   (( segid "    " and resid 129  and name HB1 ))
      2.700     0.900     0.900 peak  1721 spectrum    1 weight  0.10000E+01 volume  0.84700E-02 ppm1      7.745 ppm2      2.883 CV     1
 ASSI { 1722}
   (( segid "    " and resid 130  and name HN  ))
   (( segid "    " and resid 130  and name HB1 ))
      2.400     0.700     0.700 peak  1722 spectrum    1 weight  0.10000E+01 volume  0.26290E-01 ppm1      7.745 ppm2      2.630 CV     1
 ASSI { 1726}
   (( segid "    " and resid 130  and name HN  ))
   (( segid "    " and resid 131  and name HG12))
      4.200     2.200     1.800 peak  1726 spectrum    1 weight  0.10000E+01 volume  0.33798E-02 ppm1      7.743 ppm2      1.649 CV     1
 OR { 1726}
   (( segid "    " and resid 130  and name HN  ))
   (( segid "    " and resid 131  and name HG11))
 ASSI { 1727}
   (( segid "    " and resid 130  and name HN  ))
   (( segid "    " and resid 133  and name HB1 ))
      4.000     2.000     2.000 peak  1727 spectrum    1 weight  0.10000E+01 volume  0.34249E-02 ppm1      7.744 ppm2      1.517 CV     1
 ASSI { 1731}
   (( segid "    " and resid 130  and name HN  ))
   (( segid "    " and resid 143  and name HG  ))
      4.200     2.200     1.800 peak  1731 spectrum    1 weight  0.10000E+01 volume  0.61175E-02 ppm1      7.745 ppm2      0.954 CV     1
 ASSI { 1732}
   (( segid "    " and resid 130  and name HN  ))
   (  segid "    " and resid 131  and name HG2%)
      4.000     2.000     2.000 peak  1732 spectrum    1 weight  0.10000E+01 volume  0.11088E-01 ppm1      7.746 ppm2      0.852 CV     1
 ASSI { 1734}
   (( segid "    " and resid 130  and name HN  ))
   (( segid "    " and resid 128  and name HG  ))
      6.000     5.300     0.000 peak  1734 spectrum    1 weight  0.10000E+01 volume  0.45801E-03 ppm1      7.743 ppm2      0.308 CV     1
 ASSI { 1740}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 13   and name HB2 ))
      3.400     1.400     1.400 peak  1740 spectrum    1 weight  0.10000E+01 volume  0.85011E-02 ppm1      7.267 ppm2      4.401 CV     1
 ASSI { 1741}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 15   and name HA  ))
      3.800     1.800     1.800 peak  1741 spectrum    1 weight  0.10000E+01 volume  0.41468E-02 ppm1      7.268 ppm2      3.420 CV     1
 ASSI { 1743}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 17   and name HG2 ))
      4.300     2.300     1.700 peak  1743 spectrum    1 weight  0.10000E+01 volume  0.52647E-02 ppm1      7.266 ppm2      2.645 CV     1
 OR { 1743}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 17   and name HG1 ))
 ASSI { 1745}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 15   and name HG  ))
      3.400     1.400     1.400 peak  1745 spectrum    1 weight  0.10000E+01 volume  0.61987E-02 ppm1      7.266 ppm2      1.501 CV     1
 ASSI { 1747}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 16   and name HA  ))
      2.500     0.800     0.800 peak  1747 spectrum    1 weight  0.10000E+01 volume  0.21224E-01 ppm1      7.264 ppm2      4.103 CV     1
 ASSI { 1749}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 16   and name HB2 ))
      1.800     0.400     0.400 peak  1749 spectrum    1 weight  0.10000E+01 volume  0.55847E-01 ppm1      7.264 ppm2      2.319 CV     1
 ASSI { 1750}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 16   and name HB1 ))
      3.300     1.400     1.400 peak  1750 spectrum    1 weight  0.10000E+01 volume  0.24968E-01 ppm1      7.265 ppm2      2.163 CV     1
 ASSI { 1751}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 15   and name HB2 ))
      3.700     1.700     1.700 peak  1751 spectrum    1 weight  0.10000E+01 volume  0.12265E-01 ppm1      7.263 ppm2      1.716 CV     1
 ASSI { 1752}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 15   and name HB1 ))
      2.500     0.800     0.800 peak  1752 spectrum    1 weight  0.10000E+01 volume  0.87687E-02 ppm1      7.264 ppm2      1.258 CV     1
 ASSI { 1753}
   (( segid "    " and resid 16   and name HN  ))
   (  segid "    " and resid 15   and name HD2%)
      4.300     2.300     1.700 peak  1753 spectrum    1 weight  0.10000E+01 volume  0.89196E-02 ppm1      7.264 ppm2      1.011 CV     1
 OR { 1753}
   (( segid "    " and resid 16   and name HN  ))
   (  segid "    " and resid 15   and name HD1%)
 ASSI { 1758}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 59   and name HN  ))
      4.200     2.200     1.800 peak  1758 spectrum    1 weight  0.10000E+01 volume  0.39155E-02 ppm1      9.078 ppm2      8.536 CV     1
 ASSI { 1759}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 57   and name HA  ))
      2.300     0.600     0.600 peak  1759 spectrum    1 weight  0.10000E+01 volume  0.25316E-01 ppm1      9.078 ppm2      5.665 CV     1
 ASSI { 1762}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 58   and name HB  ))
      3.600     1.700     1.700 peak  1762 spectrum    1 weight  0.10000E+01 volume  0.10291E-01 ppm1      9.078 ppm2      1.982 CV     1
 ASSI { 1765}
   (( segid "    " and resid 58   and name HN  ))
   (  segid "    " and resid 57   and name HB% )
      3.100     1.200     1.200 peak  1765 spectrum    1 weight  0.10000E+01 volume  0.17863E-01 ppm1      9.078 ppm2      1.361 CV     1
 ASSI { 1766}
   (( segid "    " and resid 58   and name HN  ))
   (  segid "    " and resid 58   and name HG2%)
      2.400     0.700     0.700 peak  1766 spectrum    1 weight  0.10000E+01 volume  0.26436E-01 ppm1      9.078 ppm2      0.993 CV     1
 OR { 1766}
   (( segid "    " and resid 58   and name HN  ))
   (  segid "    " and resid 58   and name HG1%)
 ASSI { 1768}
   (( segid "    " and resid 58   and name HN  ))
   (  segid "    " and resid 7    and name HD1%)
      4.400     2.400     1.600 peak  1768 spectrum    1 weight  0.10000E+01 volume  0.39896E-02 ppm1      9.080 ppm2      0.695 CV     1
 ASSI { 1772}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 71   and name HD22))
      4.900     2.900     1.100 peak  1772 spectrum    1 weight  0.10000E+01 volume  0.59794E-02 ppm1      7.792 ppm2      7.217 CV     1
 ASSI { 1773}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 68   and name HN  ))
      4.000     2.000     2.000 peak  1773 spectrum    1 weight  0.10000E+01 volume  0.34161E-02 ppm1      7.793 ppm2      6.890 CV     1
 ASSI { 1780}
   (( segid "    " and resid 147  and name HN  ))
   (( segid "    " and resid 144  and name HA  ))
      3.800     1.800     1.800 peak  1780 spectrum    1 weight  0.10000E+01 volume  0.28069E-02 ppm1      7.464 ppm2      3.529 CV     1
 ASSI { 1783}
   (( segid "    " and resid 147  and name HN  ))
   (( segid "    " and resid 147  and name HB2 ))
      2.300     0.700     0.700 peak  1783 spectrum    1 weight  0.10000E+01 volume  0.15240E-01 ppm1      7.463 ppm2      1.089 CV     1
 ASSI { 1784}
   (( segid "    " and resid 147  and name HN  ))
   (( segid "    " and resid 147  and name HG  ))
      2.400     0.700     0.700 peak  1784 spectrum    1 weight  0.10000E+01 volume  0.18328E-01 ppm1      7.462 ppm2      0.905 CV     1
 ASSI { 1787}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 79   and name HN  ))
      5.200     3.400     0.800 peak  1787 spectrum    1 weight  0.10000E+01 volume  0.48126E-03 ppm1      8.013 ppm2      8.780 CV     1
 ASSI { 1796}
   (( segid "    " and resid 77   and name HN  ))
   (  segid "    " and resid 96   and name HD2%)
      3.600     1.600     1.600 peak  1796 spectrum    1 weight  0.10000E+01 volume  0.67826E-02 ppm1      8.012 ppm2      1.133 CV     1
 OR { 1796}
   (( segid "    " and resid 77   and name HN  ))
   (  segid "    " and resid 96   and name HD1%)
 ASSI { 1805}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 78   and name HG  ))
      5.200     3.400     0.800 peak  1805 spectrum    1 weight  0.10000E+01 volume  0.21974E-02 ppm1      7.637 ppm2      0.978 CV     1
 ASSI { 1807}
   (( segid "    " and resid 147  and name HN  ))
   (( segid "    " and resid 149  and name HN  ))
      6.000     4.400     0.000 peak  1807 spectrum    1 weight  0.10000E+01 volume  0.52512E-03 ppm1      7.461 ppm2      8.362 CV     1
 ASSI { 1809}
   (( segid "    " and resid 147  and name HN  ))
   (( segid "    " and resid 145  and name HA  ))
      5.600     4.000     0.400 peak  1809 spectrum    1 weight  0.10000E+01 volume  0.39330E-03 ppm1      7.466 ppm2      4.253 CV     1
 ASSI { 1810}
   (( segid "    " and resid 147  and name HN  ))
   (( segid "    " and resid 148  and name HB2 ))
      4.300     2.300     1.700 peak  1810 spectrum    1 weight  0.10000E+01 volume  0.43712E-02 ppm1      7.466 ppm2      3.248 CV     1
 ASSI { 1812}
   (( segid "    " and resid 147  and name HN  ))
   (( segid "    " and resid 146  and name HB  ))
      2.500     0.800     0.800 peak  1812 spectrum    1 weight  0.10000E+01 volume  0.12061E-01 ppm1      7.464 ppm2      1.781 CV     1
 ASSI { 1813}
   (( segid "    " and resid 147  and name HN  ))
   (( segid "    " and resid 146  and name HG12))
      4.100     2.100     1.900 peak  1813 spectrum    1 weight  0.10000E+01 volume  0.65066E-02 ppm1      7.466 ppm2      1.592 CV     1
 ASSI { 1814}
   (( segid "    " and resid 147  and name HN  ))
   (( segid "    " and resid 150  and name HG1 ))
      6.000     6.000     0.000 peak  1814 spectrum    1 weight  0.10000E+01 volume  0.18678E-03 ppm1      7.465 ppm2      1.460 CV     1
 ASSI { 1815}
   (( segid "    " and resid 147  and name HN  ))
   (  segid "    " and resid 125  and name HD1%)
      3.800     1.800     1.800 peak  1815 spectrum    1 weight  0.10000E+01 volume  0.49028E-02 ppm1      7.463 ppm2      0.470 CV     1
 OR { 1815}
   (( segid "    " and resid 147  and name HN  ))
   (  segid "    " and resid 125  and name HD2%)
 ASSI { 1816}
   (( segid "    " and resid 147  and name HN  ))
   (( segid "    " and resid 148  and name HA  ))
      6.000     5.700     0.000 peak  1816 spectrum    1 weight  0.10000E+01 volume  0.49184E-03 ppm1      7.459 ppm2      4.467 CV     1
 ASSI { 1817}
   (( segid "    " and resid 147  and name HN  ))
   (( segid "    " and resid 145  and name HB1 ))
      4.900     3.000     1.100 peak  1817 spectrum    1 weight  0.10000E+01 volume  0.99093E-03 ppm1      7.458 ppm2      2.283 CV     1
 ASSI { 1819}
   (( segid "    " and resid 145  and name HN  ))
   (( segid "    " and resid 144  and name HN  ))
      3.000     1.100     1.100 peak  1819 spectrum    1 weight  0.10000E+01 volume  0.61609E-02 ppm1      6.774 ppm2      9.586 CV     1
 ASSI { 1822}
   (( segid "    " and resid 145  and name HN  ))
   (( segid "    " and resid 147  and name HN  ))
      3.500     1.500     1.500 peak  1822 spectrum    1 weight  0.10000E+01 volume  0.48146E-02 ppm1      6.772 ppm2      7.475 CV     1
 ASSI { 1823}
   (( segid "    " and resid 145  and name HN  ))
   (( segid "    " and resid 142  and name HA  ))
      4.000     2.000     2.000 peak  1823 spectrum    1 weight  0.10000E+01 volume  0.57146E-02 ppm1      6.777 ppm2      4.802 CV     1
 ASSI { 1824}
   (( segid "    " and resid 145  and name HN  ))
   (( segid "    " and resid 145  and name HA  ))
      2.700     0.900     0.900 peak  1824 spectrum    1 weight  0.10000E+01 volume  0.11076E-01 ppm1      6.772 ppm2      4.252 CV     1
 ASSI { 1825}
   (( segid "    " and resid 145  and name HN  ))
   (( segid "    " and resid 143  and name HA  ))
      4.500     2.600     1.500 peak  1825 spectrum    1 weight  0.10000E+01 volume  0.13418E-02 ppm1      6.776 ppm2      4.083 CV     1
 ASSI { 1826}
   (( segid "    " and resid 145  and name HN  ))
   (( segid "    " and resid 146  and name HA  ))
      4.900     3.000     1.100 peak  1826 spectrum    1 weight  0.10000E+01 volume  0.33160E-02 ppm1      6.774 ppm2      3.666 CV     1
 ASSI { 1827}
   (( segid "    " and resid 145  and name HN  ))
   (( segid "    " and resid 144  and name HA  ))
      3.400     1.500     1.500 peak  1827 spectrum    1 weight  0.10000E+01 volume  0.56339E-02 ppm1      6.775 ppm2      3.519 CV     1
 ASSI { 1828}
   (( segid "    " and resid 145  and name HN  ))
   (( segid "    " and resid 144  and name HD2 ))
      3.800     1.800     1.800 peak  1828 spectrum    1 weight  0.10000E+01 volume  0.14561E-02 ppm1      6.777 ppm2      3.379 CV     1
 ASSI { 1829}
   (( segid "    " and resid 145  and name HN  ))
   (( segid "    " and resid 145  and name HG2 ))
      3.900     1.900     1.900 peak  1829 spectrum    1 weight  0.10000E+01 volume  0.13545E-01 ppm1      6.773 ppm2      2.478 CV     1
 OR { 1829}
   (( segid "    " and resid 145  and name HN  ))
   (( segid "    " and resid 145  and name HG1 ))
 ASSI { 1830}
   (( segid "    " and resid 145  and name HN  ))
   (( segid "    " and resid 142  and name HB2 ))
      1.800     0.400     0.400 peak  1830 spectrum    1 weight  0.10000E+01 volume  0.49730E-01 ppm1      6.773 ppm2      2.275 CV     1
 ASSI { 1831}
   (( segid "    " and resid 145  and name HN  ))
   (( segid "    " and resid 142  and name HB1 ))
      3.100     1.200     1.200 peak  1831 spectrum    1 weight  0.10000E+01 volume  0.18266E-01 ppm1      6.773 ppm2      2.093 CV     1
 ASSI { 1835}
   (( segid "    " and resid 145  and name HN  ))
   (( segid "    " and resid 146  and name HG11))
      3.700     1.700     1.700 peak  1835 spectrum    1 weight  0.10000E+01 volume  0.75988E-02 ppm1      6.773 ppm2      0.975 CV     1
 ASSI { 1838}
   (( segid "    " and resid 145  and name HN  ))
   (( segid "    " and resid 142  and name HN  ))
      4.200     2.200     1.800 peak  1838 spectrum    1 weight  0.10000E+01 volume  0.23552E-02 ppm1      6.769 ppm2      9.266 CV     1
 ASSI { 1839}
   (( segid "    " and resid 145  and name HN  ))
   (( segid "    " and resid 144  and name HD1 ))
      3.800     1.800     1.800 peak  1839 spectrum    1 weight  0.10000E+01 volume  0.22479E-02 ppm1      6.769 ppm2      3.283 CV     1
 ASSI { 1840}
   (( segid "    " and resid 144  and name HN  ))
   (( segid "    " and resid 136  and name HA  ))
      3.300     3.300     2.700 peak  1840 spectrum    1 weight  0.10000E+01 volume  0.55848E-03 ppm1      9.592 ppm2      4.527 CV     1
 ASSI { 1850}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 79   and name HN  ))
      2.700     0.900     0.900 peak  1850 spectrum    1 weight  0.10000E+01 volume  0.11741E-01 ppm1      7.639 ppm2      8.778 CV     1
 ASSI { 1851}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 81   and name HN  ))
      2.600     0.800     0.800 peak  1851 spectrum    1 weight  0.10000E+01 volume  0.18472E-01 ppm1      7.641 ppm2      7.931 CV     1
 ASSI { 1853}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 80   and name HA  ))
      3.100     1.200     1.200 peak  1853 spectrum    1 weight  0.10000E+01 volume  0.98643E-02 ppm1      7.642 ppm2      4.532 CV     1
 ASSI { 1855}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 77   and name HA  ))
      3.000     1.200     1.200 peak  1855 spectrum    1 weight  0.10000E+01 volume  0.78951E-02 ppm1      7.641 ppm2      3.783 CV     1
 ASSI { 1856}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 76   and name HA  ))
      3.600     1.600     1.600 peak  1856 spectrum    1 weight  0.10000E+01 volume  0.40426E-02 ppm1      7.640 ppm2      3.594 CV     1
 ASSI { 1857}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 80   and name HB2 ))
      2.900     1.000     1.000 peak  1857 spectrum    1 weight  0.10000E+01 volume  0.77670E-02 ppm1      7.642 ppm2      2.874 CV     1
 ASSI { 1858}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 80   and name HG2 ))
      3.900     1.900     1.900 peak  1858 spectrum    1 weight  0.10000E+01 volume  0.17811E-01 ppm1      7.642 ppm2      2.511 CV     1
 ASSI { 1860}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 80   and name HB1 ))
      2.600     0.800     0.800 peak  1860 spectrum    1 weight  0.10000E+01 volume  0.18853E-01 ppm1      7.641 ppm2      1.779 CV     1
 ASSI { 1861}
   (( segid "    " and resid 80   and name HN  ))
   (  segid "    " and resid 76   and name HG2%)
      3.300     1.400     1.400 peak  1861 spectrum    1 weight  0.10000E+01 volume  0.98229E-02 ppm1      7.642 ppm2      0.816 CV     1
 ASSI { 1865}
   (( segid "    " and resid 144  and name HN  ))
   (( segid "    " and resid 142  and name HN  ))
      6.000     6.000     0.000 peak  1865 spectrum    1 weight  0.10000E+01 volume  0.15381E-03 ppm1      9.587 ppm2      9.280 CV     1
 ASSI { 1866}
   (( segid "    " and resid 144  and name HN  ))
   (( segid "    " and resid 143  and name HN  ))
      3.100     1.200     1.200 peak  1866 spectrum    1 weight  0.10000E+01 volume  0.45538E-02 ppm1      9.587 ppm2      8.442 CV     1
 ASSI { 1867}
   (( segid "    " and resid 144  and name HN  ))
   (( segid "    " and resid 147  and name HN  ))
      3.800     1.800     1.800 peak  1867 spectrum    1 weight  0.10000E+01 volume  0.42368E-02 ppm1      9.588 ppm2      7.468 CV     1
 ASSI { 1868}
   (( segid "    " and resid 144  and name HN  ))
   (  segid "    " and resid 129  and name HD% )
      5.200     3.300     0.800 peak  1868 spectrum    1 weight  0.10000E+01 volume  0.31705E-02 ppm1      9.591 ppm2      7.191 CV     1
 ASSI { 1870}
   (( segid "    " and resid 144  and name HN  ))
   (( segid "    " and resid 142  and name HA  ))
      2.900     2.900     3.100 peak  1870 spectrum    1 weight  0.10000E+01 volume  0.27140E-01 ppm1      9.589 ppm2      4.805 CV     1
 ASSI { 1871}
   (( segid "    " and resid 144  and name HN  ))
   (( segid "    " and resid 143  and name HA  ))
      3.800     1.800     1.800 peak  1871 spectrum    1 weight  0.10000E+01 volume  0.27295E-02 ppm1      9.589 ppm2      4.099 CV     1
 ASSI { 1872}
   (( segid "    " and resid 144  and name HN  ))
   (( segid "    " and resid 144  and name HA  ))
      3.000     1.100     1.100 peak  1872 spectrum    1 weight  0.10000E+01 volume  0.75160E-02 ppm1      9.590 ppm2      3.528 CV     1
 ASSI { 1874}
   (( segid "    " and resid 144  and name HN  ))
   (( segid "    " and resid 142  and name HB1 ))
      2.600     0.800     0.800 peak  1874 spectrum    1 weight  0.10000E+01 volume  0.13501E-01 ppm1      9.588 ppm2      2.109 CV     1
 ASSI { 1875}
   (( segid "    " and resid 144  and name HN  ))
   (( segid "    " and resid 144  and name HB1 ))
      2.600     0.900     0.900 peak  1875 spectrum    1 weight  0.10000E+01 volume  0.88900E-02 ppm1      9.589 ppm2      1.804 CV     1
 ASSI { 1876}
   (( segid "    " and resid 144  and name HN  ))
   (( segid "    " and resid 144  and name HG1 ))
      4.000     2.000     2.000 peak  1876 spectrum    1 weight  0.10000E+01 volume  0.13412E-01 ppm1      9.588 ppm2      1.602 CV     1
 ASSI { 1877}
   (( segid "    " and resid 144  and name HN  ))
   (( segid "    " and resid 143  and name HB1 ))
      2.800     1.000     1.000 peak  1877 spectrum    1 weight  0.10000E+01 volume  0.60195E-02 ppm1      9.587 ppm2      1.347 CV     1
 ASSI { 1881}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 60   and name HB1 ))
      4.800     2.900     1.200 peak  1881 spectrum    1 weight  0.10000E+01 volume  0.46637E-02 ppm1      9.017 ppm2      1.068 CV     1
 ASSI { 1885}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 16   and name HN  ))
      2.700     0.900     0.900 peak  1885 spectrum    1 weight  0.10000E+01 volume  0.16539E-01 ppm1      8.172 ppm2      7.260 CV     1
 ASSI { 1888}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 14   and name HD2 ))
      2.900     1.100     1.100 peak  1888 spectrum    1 weight  0.10000E+01 volume  0.53921E-02 ppm1      8.174 ppm2      3.713 CV     1
 ASSI { 1889}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 14   and name HD1 ))
      4.300     2.300     1.700 peak  1889 spectrum    1 weight  0.10000E+01 volume  0.37499E-02 ppm1      8.169 ppm2      3.627 CV     1
 ASSI { 1890}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 15   and name HA  ))
      2.900     1.000     1.000 peak  1890 spectrum    1 weight  0.10000E+01 volume  0.10603E-01 ppm1      8.173 ppm2      3.410 CV     1
 ASSI { 1891}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 16   and name HB2 ))
      4.200     2.200     1.800 peak  1891 spectrum    1 weight  0.10000E+01 volume  0.67687E-02 ppm1      8.173 ppm2      2.314 CV     1
 ASSI { 1892}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 15   and name HB2 ))
      2.500     0.800     0.800 peak  1892 spectrum    1 weight  0.10000E+01 volume  0.20398E-01 ppm1      8.173 ppm2      1.714 CV     1
 ASSI { 1893}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 15   and name HG  ))
      4.000     2.000     2.000 peak  1893 spectrum    1 weight  0.10000E+01 volume  0.10326E-01 ppm1      8.173 ppm2      1.498 CV     1
 ASSI { 1894}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 15   and name HB1 ))
      2.500     0.800     0.800 peak  1894 spectrum    1 weight  0.10000E+01 volume  0.19153E-01 ppm1      8.173 ppm2      1.256 CV     1
 ASSI { 1895}
   (( segid "    " and resid 15   and name HN  ))
   (  segid "    " and resid 15   and name HD1%)
      3.900     1.900     1.900 peak  1895 spectrum    1 weight  0.10000E+01 volume  0.20953E-01 ppm1      8.173 ppm2      1.016 CV     1
 OR { 1895}
   (( segid "    " and resid 15   and name HN  ))
   (  segid "    " and resid 15   and name HD2%)
 ASSI { 1898}
   (( segid "    " and resid 15   and name HN  ))
   (  segid "    " and resid 18   and name HG2%)
      5.200     3.400     0.800 peak  1898 spectrum    1 weight  0.10000E+01 volume  0.97708E-03 ppm1      8.172 ppm2      0.623 CV     1
 ASSI { 1900}
   (( segid "    " and resid 15   and name HN  ))
   (  segid "    " and resid 54   and name HD1%)
      3.900     1.900     1.900 peak  1900 spectrum    1 weight  0.10000E+01 volume  0.74105E-02 ppm1      8.173 ppm2     -0.641 CV     1
 OR { 1900}
   (( segid "    " and resid 15   and name HN  ))
   (  segid "    " and resid 54   and name HD2%)
 ASSI { 1901}
   (( segid "    " and resid 120  and name HD21))
   (( segid "    " and resid 120  and name HD22))
      2.000     0.500     0.500 peak  1901 spectrum    1 weight  0.10000E+01 volume  0.22069E-01 ppm1      8.099 ppm2      6.899 CV     1
 ASSI { 1902}
   (( segid "    " and resid 120  and name HD21))
   (( segid "    " and resid 120  and name HB2 ))
      2.400     0.700     0.700 peak  1902 spectrum    1 weight  0.10000E+01 volume  0.11266E-01 ppm1      8.103 ppm2      2.992 CV     1
 ASSI { 1903}
   (( segid "    " and resid 120  and name HD21))
   (( segid "    " and resid 120  and name HB1 ))
      3.500     1.500     1.500 peak  1903 spectrum    1 weight  0.10000E+01 volume  0.11902E-01 ppm1      8.101 ppm2      2.505 CV     1
 ASSI { 1904}
   (( segid "    " and resid 120  and name HD21))
   (( segid "    " and resid 117  and name HA  ))
      2.700     0.900     0.900 peak  1904 spectrum    1 weight  0.10000E+01 volume  0.78089E-02 ppm1      8.097 ppm2      5.064 CV     1
 ASSI { 1910}
   (( segid "    " and resid 120  and name HD22))
   (( segid "    " and resid 117  and name HA  ))
      5.100     3.300     0.900 peak  1910 spectrum    1 weight  0.10000E+01 volume  0.39052E-02 ppm1      6.907 ppm2      5.071 CV     1
 ASSI { 1911}
   (( segid "    " and resid 120  and name HD22))
   (( segid "    " and resid 120  and name HB2 ))
      4.300     2.300     1.700 peak  1911 spectrum    1 weight  0.10000E+01 volume  0.54496E-02 ppm1      6.903 ppm2      2.998 CV     1
 ASSI { 1912}
   (( segid "    " and resid 120  and name HD22))
   (( segid "    " and resid 120  and name HB1 ))
      4.500     2.500     1.500 peak  1912 spectrum    1 weight  0.10000E+01 volume  0.68202E-02 ppm1      6.903 ppm2      2.512 CV     1
 ASSI { 1913}
   (( segid "    " and resid 120  and name HD22))
   (( segid "    " and resid 120  and name HN  ))
      6.000     4.400     0.000 peak  1913 spectrum    1 weight  0.10000E+01 volume  0.71914E-03 ppm1      6.895 ppm2      7.418 CV     1
 ASSI { 1916}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 61   and name HN  ))
      2.700     0.900     0.900 peak  1916 spectrum    1 weight  0.10000E+01 volume  0.11834E-01 ppm1      9.015 ppm2      8.795 CV     1
 ASSI { 1918}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 63   and name HN  ))
      5.700     4.100     0.300 peak  1918 spectrum    1 weight  0.10000E+01 volume  0.25026E-02 ppm1      9.014 ppm2      8.244 CV     1
 ASSI { 1919}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 31   and name HN  ))
      4.000     2.000     2.000 peak  1919 spectrum    1 weight  0.10000E+01 volume  0.51635E-02 ppm1      9.013 ppm2      7.264 CV     1
 ASSI { 1921}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 31   and name HA  ))
      2.100     0.500     0.500 peak  1921 spectrum    1 weight  0.10000E+01 volume  0.27802E-01 ppm1      9.014 ppm2      5.940 CV     1
 ASSI { 1922}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 62   and name HA  ))
      3.700     1.700     1.700 peak  1922 spectrum    1 weight  0.10000E+01 volume  0.77027E-02 ppm1      9.018 ppm2      5.512 CV     1
 ASSI { 1923}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 32   and name HA  ))
      2.600     0.800     0.800 peak  1923 spectrum    1 weight  0.10000E+01 volume  0.13569E-01 ppm1      9.016 ppm2      4.922 CV     1
 ASSI { 1924}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 60   and name HA  ))
      3.600     1.700     1.700 peak  1924 spectrum    1 weight  0.10000E+01 volume  0.83528E-02 ppm1      9.018 ppm2      4.770 CV     1
 ASSI { 1926}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 62   and name HB  ))
      3.400     1.400     1.400 peak  1926 spectrum    1 weight  0.10000E+01 volume  0.70475E-02 ppm1      9.015 ppm2      3.851 CV     1
 ASSI { 1927}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 31   and name HB1 ))
      2.500     0.800     0.800 peak  1927 spectrum    1 weight  0.10000E+01 volume  0.20057E-01 ppm1      9.014 ppm2      3.598 CV     1
 OR { 1927}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 31   and name HB2 ))
 ASSI { 1928}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 32   and name HB2 ))
      3.300     1.400     1.400 peak  1928 spectrum    1 weight  0.10000E+01 volume  0.76049E-02 ppm1      9.014 ppm2      3.351 CV     1
 ASSI { 1929}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 32   and name HB1 ))
      3.100     1.200     1.200 peak  1929 spectrum    1 weight  0.10000E+01 volume  0.65779E-02 ppm1      9.015 ppm2      3.166 CV     1
 ASSI { 1931}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 61   and name HG1 ))
      4.500     2.500     1.500 peak  1931 spectrum    1 weight  0.10000E+01 volume  0.29338E-02 ppm1      9.015 ppm2      1.959 CV     1
 ASSI { 1934}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 28   and name HB  ))
      4.400     2.500     1.600 peak  1934 spectrum    1 weight  0.10000E+01 volume  0.60777E-02 ppm1      9.014 ppm2      1.562 CV     1
 ASSI { 1936}
   (( segid "    " and resid 32   and name HN  ))
   (  segid "    " and resid 60   and name HD2%)
      3.600     1.600     1.600 peak  1936 spectrum    1 weight  0.10000E+01 volume  0.20550E-01 ppm1      9.014 ppm2      0.697 CV     1
 ASSI { 1937}
   (( segid "    " and resid 119  and name HN  ))
   (( segid "    " and resid 120  and name HN  ))
      2.500     0.800     0.800 peak  1937 spectrum    1 weight  0.10000E+01 volume  0.11690E-01 ppm1      8.120 ppm2      7.417 CV     1
 ASSI { 1939}
   (( segid "    " and resid 119  and name HN  ))
   (( segid "    " and resid 119  and name HA  ))
      2.400     0.700     0.700 peak  1939 spectrum    1 weight  0.10000E+01 volume  0.11652E-01 ppm1      8.120 ppm2      3.803 CV     1
 ASSI { 1940}
   (( segid "    " and resid 119  and name HN  ))
   (( segid "    " and resid 118  and name HG1 ))
      2.700     0.900     0.900 peak  1940 spectrum    1 weight  0.10000E+01 volume  0.48219E-02 ppm1      8.122 ppm2      3.314 CV     1
 OR { 1940}
   (( segid "    " and resid 119  and name HN  ))
   (( segid "    " and resid 118  and name HG2 ))
 ASSI { 1941}
   (( segid "    " and resid 119  and name HN  ))
   (( segid "    " and resid 119  and name HE2 ))
      4.900     3.000     1.100 peak  1941 spectrum    1 weight  0.10000E+01 volume  0.24375E-02 ppm1      8.118 ppm2      2.305 CV     1
 ASSI { 1942}
   (( segid "    " and resid 119  and name HN  ))
   (( segid "    " and resid 124  and name HB2 ))
      4.000     2.000     2.000 peak  1942 spectrum    1 weight  0.10000E+01 volume  0.94990E-02 ppm1      8.122 ppm2      2.174 CV     1
 OR { 1942}
   (( segid "    " and resid 119  and name HN  ))
   (( segid "    " and resid 124  and name HB1 ))
 ASSI { 1944}
   (( segid "    " and resid 119  and name HN  ))
   (( segid "    " and resid 119  and name HB2 ))
      3.200     1.300     1.300 peak  1944 spectrum    1 weight  0.10000E+01 volume  0.13100E-01 ppm1      8.121 ppm2      1.657 CV     1
 ASSI { 1945}
   (( segid "    " and resid 119  and name HN  ))
   (( segid "    " and resid 119  and name HB1 ))
      2.500     0.800     0.800 peak  1945 spectrum    1 weight  0.10000E+01 volume  0.26372E-01 ppm1      8.120 ppm2      1.501 CV     1
 OR { 1945}
   (( segid "    " and resid 119  and name HN  ))
   (( segid "    " and resid 119  and name HE1 ))
 ASSI { 1946}
   (( segid "    " and resid 119  and name HN  ))
   (( segid "    " and resid 119  and name HG2 ))
      1.800     0.400     0.400 peak  1946 spectrum    1 weight  0.10000E+01 volume  0.21498E-01 ppm1      8.121 ppm2      1.304 CV     1
 ASSI { 1948}
   (( segid "    " and resid 119  and name HN  ))
   (( segid "    " and resid 121  and name HG1 ))
      4.300     2.300     1.700 peak  1948 spectrum    1 weight  0.10000E+01 volume  0.23981E-02 ppm1      8.118 ppm2      0.728 CV     1
 ASSI { 1949}
   (( segid "    " and resid 119  and name HN  ))
   (( segid "    " and resid 119  and name HG1 ))
      3.000     1.100     1.100 peak  1949 spectrum    1 weight  0.10000E+01 volume  0.13196E-01 ppm1      8.121 ppm2      0.535 CV     1
 ASSI { 1950}
   (( segid "    " and resid 119  and name HN  ))
   (( segid "    " and resid 125  and name HG  ))
      3.800     1.800     1.800 peak  1950 spectrum    1 weight  0.10000E+01 volume  0.43114E-02 ppm1      8.119 ppm2      0.332 CV     1
 ASSI { 1952}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 54   and name HN  ))
      3.100     1.200     1.200 peak  1952 spectrum    1 weight  0.10000E+01 volume  0.54238E-02 ppm1      7.989 ppm2      8.560 CV     1
 ASSI { 1955}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 8    and name HA2 ))
      2.400     0.700     0.700 peak  1955 spectrum    1 weight  0.10000E+01 volume  0.11005E-01 ppm1      7.986 ppm2      5.759 CV     1
 ASSI { 1958}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 9    and name HB1 ))
      3.400     1.500     1.500 peak  1958 spectrum    1 weight  0.10000E+01 volume  0.60622E-02 ppm1      7.988 ppm2      3.089 CV     1
 ASSI { 1959}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 44   and name HG1 ))
      6.000     6.000     0.000 peak  1959 spectrum    1 weight  0.10000E+01 volume  0.43308E-02 ppm1      7.987 ppm2      2.223 CV     1
 OR { 1959}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 44   and name HG2 ))
 ASSI { 1960}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 54   and name HB2 ))
      4.700     2.700     1.300 peak  1960 spectrum    1 weight  0.10000E+01 volume  0.29524E-02 ppm1      7.985 ppm2      0.977 CV     1
 ASSI { 1962}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 54   and name HG  ))
      6.000     6.000     0.000 peak  1962 spectrum    1 weight  0.10000E+01 volume  0.18495E-03 ppm1      7.985 ppm2      0.212 CV     1
 ASSI { 1976}
   (( segid "    " and resid 148  and name HN  ))
   (( segid "    " and resid 148  and name HA  ))
      2.800     1.000     1.000 peak  1976 spectrum    1 weight  0.10000E+01 volume  0.17163E-01 ppm1      7.555 ppm2      4.465 CV     1
 ASSI { 1977}
   (( segid "    " and resid 148  and name HN  ))
   (( segid "    " and resid 145  and name HA  ))
      3.000     1.100     1.100 peak  1977 spectrum    1 weight  0.10000E+01 volume  0.11061E-01 ppm1      7.554 ppm2      4.244 CV     1
 ASSI { 1978}
   (( segid "    " and resid 148  and name HN  ))
   (( segid "    " and resid 149  and name HA  ))
      5.100     3.200     0.900 peak  1978 spectrum    1 weight  0.10000E+01 volume  0.27370E-02 ppm1      7.552 ppm2      4.012 CV     1
 ASSI { 1980}
   (( segid "    " and resid 148  and name HN  ))
   (( segid "    " and resid 144  and name HA  ))
      5.300     3.500     0.700 peak  1980 spectrum    1 weight  0.10000E+01 volume  0.54271E-03 ppm1      7.552 ppm2      3.520 CV     1
 ASSI { 1981}
   (( segid "    " and resid 148  and name HN  ))
   (( segid "    " and resid 148  and name HB2 ))
      2.300     0.700     0.700 peak  1981 spectrum    1 weight  0.10000E+01 volume  0.39828E-01 ppm1      7.554 ppm2      3.287 CV     1
 ASSI { 1983}
   (( segid "    " and resid 148  and name HN  ))
   (( segid "    " and resid 145  and name HG2 ))
      5.400     3.600     0.600 peak  1983 spectrum    1 weight  0.10000E+01 volume  0.68012E-03 ppm1      7.554 ppm2      2.471 CV     1
 ASSI { 1987}
   (( segid "    " and resid 148  and name HN  ))
   (( segid "    " and resid 147  and name HB2 ))
      2.900     1.000     1.000 peak  1987 spectrum    1 weight  0.10000E+01 volume  0.10388E-01 ppm1      7.557 ppm2      1.083 CV     1
 ASSI { 1989}
   (( segid "    " and resid 148  and name HN  ))
   (( segid "    " and resid 147  and name HB1 ))
      3.400     1.400     1.400 peak  1989 spectrum    1 weight  0.10000E+01 volume  0.98220E-02 ppm1      7.553 ppm2      0.690 CV     1
 ASSI { 1991}
   (( segid "    " and resid 148  and name HN  ))
   (( segid "    " and resid 145  and name HN  ))
      3.900     1.900     1.900 peak  1991 spectrum    1 weight  0.10000E+01 volume  0.24282E-02 ppm1      7.547 ppm2      6.762 CV     1
 ASSI { 1992}
   (( segid "    " and resid 148  and name HN  ))
   (( segid "    " and resid 146  and name HB  ))
      4.600     2.700     1.400 peak  1992 spectrum    1 weight  0.10000E+01 volume  0.19587E-02 ppm1      7.548 ppm2      1.803 CV     1
 ASSI { 1995}
   (( segid "    " and resid 94   and name HN  ))
   (( segid "    " and resid 95   and name HN  ))
      5.300     3.600     0.700 peak  1995 spectrum    1 weight  0.10000E+01 volume  0.91426E-03 ppm1      6.369 ppm2      9.220 CV     1
 ASSI { 1996}
   (( segid "    " and resid 94   and name HN  ))
   (( segid "    " and resid 83   and name HN  ))
      5.200     3.400     0.800 peak  1996 spectrum    1 weight  0.10000E+01 volume  0.15495E-02 ppm1      6.371 ppm2      8.210 CV     1
 ASSI { 2000}
   (( segid "    " and resid 94   and name HN  ))
   (( segid "    " and resid 82   and name HA  ))
      5.900     4.300     0.100 peak  2000 spectrum    1 weight  0.10000E+01 volume  0.50652E-03 ppm1      6.368 ppm2      4.383 CV     1
 ASSI { 2001}
   (( segid "    " and resid 94   and name HN  ))
   (( segid "    " and resid 92   and name HD2 ))
      4.000     2.000     2.000 peak  2001 spectrum    1 weight  0.10000E+01 volume  0.55693E-02 ppm1      6.367 ppm2      3.509 CV     1
 ASSI { 2002}
   (( segid "    " and resid 94   and name HN  ))
   (( segid "    " and resid 82   and name HD2 ))
      3.500     1.500     1.500 peak  2002 spectrum    1 weight  0.10000E+01 volume  0.53041E-02 ppm1      6.367 ppm2      3.344 CV     1
 ASSI { 2003}
   (( segid "    " and resid 94   and name HN  ))
   (  segid "    " and resid 93   and name HG2%)
      3.500     1.500     1.500 peak  2003 spectrum    1 weight  0.10000E+01 volume  0.11903E-01 ppm1      6.368 ppm2      1.248 CV     1
 ASSI { 2004}
   (( segid "    " and resid 94   and name HN  ))
   (( segid "    " and resid 93   and name HN  ))
      2.600     0.800     0.800 peak  2004 spectrum    1 weight  0.10000E+01 volume  0.10423E-01 ppm1      6.363 ppm2      8.748 CV     1
 ASSI { 2009}
   (( segid "    " and resid 94   and name HN  ))
   (( segid "    " and resid 93   and name HB  ))
      3.200     1.200     1.200 peak  2009 spectrum    1 weight  0.10000E+01 volume  0.96367E-02 ppm1      6.363 ppm2      4.124 CV     1
 ASSI { 2023}
   (( segid "    " and resid 125  and name HN  ))
   (( segid "    " and resid 126  and name HA  ))
      4.800     2.800     1.200 peak  2023 spectrum    1 weight  0.10000E+01 volume  0.31559E-02 ppm1      7.611 ppm2      4.807 CV     1
 ASSI { 2024}
   (( segid "    " and resid 125  and name HN  ))
   (( segid "    " and resid 124  and name HA  ))
      4.500     2.500     1.500 peak  2024 spectrum    1 weight  0.10000E+01 volume  0.12615E-02 ppm1      7.608 ppm2      4.392 CV     1
 ASSI { 2026}
   (( segid "    " and resid 125  and name HN  ))
   (( segid "    " and resid 128  and name HB2 ))
      4.900     3.000     1.100 peak  2026 spectrum    1 weight  0.10000E+01 volume  0.11049E-02 ppm1      7.607 ppm2      2.027 CV     1
 ASSI { 2028}
   (( segid "    " and resid 125  and name HN  ))
   (( segid "    " and resid 125  and name HB1 ))
      3.400     1.500     1.500 peak  2028 spectrum    1 weight  0.10000E+01 volume  0.83523E-02 ppm1      7.608 ppm2      0.950 CV     1
 ASSI { 2029}
   (( segid "    " and resid 125  and name HN  ))
   (  segid "    " and resid 125  and name HD2%)
      3.900     1.900     1.900 peak  2029 spectrum    1 weight  0.10000E+01 volume  0.67824E-02 ppm1      7.608 ppm2      0.470 CV     1
 OR { 2029}
   (( segid "    " and resid 125  and name HN  ))
   (  segid "    " and resid 125  and name HD1%)
 ASSI { 2030}
   (( segid "    " and resid 125  and name HN  ))
   (( segid "    " and resid 125  and name HG  ))
      2.500     0.800     0.800 peak  2030 spectrum    1 weight  0.10000E+01 volume  0.59615E-02 ppm1      7.609 ppm2      0.335 CV     1
 ASSI { 2031}
   (( segid "    " and resid 125  and name HN  ))
   (  segid "    " and resid 147  and name HD2%)
      6.000     6.000     0.000 peak  2031 spectrum    1 weight  0.10000E+01 volume  0.15154E-03 ppm1      7.604 ppm2     -0.546 CV     1
 ASSI { 2043}
   (( segid "    " and resid 108  and name HN  ))
   (( segid "    " and resid 107  and name HA  ))
      2.000     0.500     0.500 peak  2043 spectrum    1 weight  0.10000E+01 volume  0.45361E-01 ppm1      8.980 ppm2      5.513 CV     1
 ASSI { 2044}
   (( segid "    " and resid 108  and name HN  ))
   (( segid "    " and resid 112  and name HA  ))
      3.700     1.700     1.700 peak  2044 spectrum    1 weight  0.10000E+01 volume  0.52448E-02 ppm1      8.980 ppm2      5.239 CV     1
 ASSI { 2046}
   (( segid "    " and resid 108  and name HN  ))
   (( segid "    " and resid 108  and name HB  ))
      4.000     2.000     2.000 peak  2046 spectrum    1 weight  0.10000E+01 volume  0.51067E-02 ppm1      8.979 ppm2      4.663 CV     1
 ASSI { 2047}
   (( segid "    " and resid 108  and name HN  ))
   (( segid "    " and resid 106  and name HA  ))
      5.000     3.100     1.000 peak  2047 spectrum    1 weight  0.10000E+01 volume  0.39294E-02 ppm1      8.982 ppm2      4.316 CV     1
 ASSI { 2049}
   (( segid "    " and resid 108  and name HN  ))
   (( segid "    " and resid 107  and name HB1 ))
      3.100     1.200     1.200 peak  2049 spectrum    1 weight  0.10000E+01 volume  0.13881E-01 ppm1      8.980 ppm2      2.710 CV     1
 ASSI { 2050}
   (( segid "    " and resid 108  and name HN  ))
   (( segid "    " and resid 109  and name HB2 ))
      6.000     6.000     0.000 peak  2050 spectrum    1 weight  0.10000E+01 volume  0.53022E-03 ppm1      8.977 ppm2      2.037 CV     1
 OR { 2050}
   (( segid "    " and resid 108  and name HN  ))
   (( segid "    " and resid 109  and name HB1 ))
 ASSI { 2052}
   (( segid "    " and resid 108  and name HN  ))
   (  segid "    " and resid 108  and name HG2%)
      3.100     1.200     1.200 peak  2052 spectrum    1 weight  0.10000E+01 volume  0.19103E-01 ppm1      8.980 ppm2      1.219 CV     1
 ASSI { 2053}
   (( segid "    " and resid 108  and name HN  ))
   (( segid "    " and resid 111  and name HB1 ))
      3.600     1.600     1.600 peak  2053 spectrum    1 weight  0.10000E+01 volume  0.17151E-01 ppm1      8.980 ppm2      0.931 CV     1
 ASSI { 2060}
   (( segid "    " and resid 125  and name HN  ))
   (( segid "    " and resid 122  and name HA1 ))
      5.900     4.300     0.100 peak  2060 spectrum    1 weight  0.10000E+01 volume  0.83753E-03 ppm1      7.609 ppm2      2.853 CV     1
 ASSI { 2061}
   (( segid "    " and resid 125  and name HN  ))
   (( segid "    " and resid 124  and name HB2 ))
      2.900     1.100     1.100 peak  2061 spectrum    1 weight  0.10000E+01 volume  0.44007E-02 ppm1      7.606 ppm2      2.180 CV     1
 OR { 2061}
   (( segid "    " and resid 125  and name HN  ))
   (( segid "    " and resid 124  and name HB1 ))
 ASSI { 2077}
   (( segid "    " and resid 108  and name HN  ))
   (( segid "    " and resid 110  and name HN  ))
      5.700     4.100     0.300 peak  2077 spectrum    1 weight  0.10000E+01 volume  0.10049E-02 ppm1      8.978 ppm2      7.939 CV     1
 ASSI { 2079}
   (( segid "    " and resid 134  and name HN  ))
   (( segid "    " and resid 132  and name HA  ))
      3.600     1.600     1.600 peak  2079 spectrum    1 weight  0.10000E+01 volume  0.10028E-01 ppm1      8.283 ppm2      4.785 CV     1
 ASSI { 2080}
   (( segid "    " and resid 134  and name HN  ))
   (( segid "    " and resid 133  and name HA  ))
      3.600     1.600     1.600 peak  2080 spectrum    1 weight  0.10000E+01 volume  0.40445E-02 ppm1      8.282 ppm2      4.107 CV     1
 ASSI { 2081}
   (( segid "    " and resid 134  and name HN  ))
   (( segid "    " and resid 133  and name HD1 ))
      4.500     2.600     1.500 peak  2081 spectrum    1 weight  0.10000E+01 volume  0.53793E-02 ppm1      8.281 ppm2      3.422 CV     1
 ASSI { 2082}
   (( segid "    " and resid 134  and name HN  ))
   (( segid "    " and resid 135  and name HG  ))
      4.700     2.800     1.300 peak  2082 spectrum    1 weight  0.10000E+01 volume  0.27594E-02 ppm1      8.283 ppm2      1.274 CV     1
 ASSI { 2085}
   (( segid "    " and resid 134  and name HN  ))
   (( segid "    " and resid 134  and name HA  ))
      2.900     1.000     1.000 peak  2085 spectrum    1 weight  0.10000E+01 volume  0.12838E-01 ppm1      8.279 ppm2      4.552 CV     1
 ASSI { 2087}
   (( segid "    " and resid 134  and name HN  ))
   (( segid "    " and resid 133  and name HD2 ))
      3.300     1.300     1.300 peak  2087 spectrum    1 weight  0.10000E+01 volume  0.44132E-02 ppm1      8.278 ppm2      3.118 CV     1
 ASSI { 2088}
   (( segid "    " and resid 134  and name HN  ))
   (( segid "    " and resid 134  and name HB2 ))
      2.400     0.700     0.700 peak  2088 spectrum    1 weight  0.10000E+01 volume  0.26986E-01 ppm1      8.280 ppm2      2.312 CV     1
 OR { 2088}
   (( segid "    " and resid 134  and name HN  ))
   (( segid "    " and resid 134  and name HG2 ))
 ASSI { 2089}
   (( segid "    " and resid 134  and name HN  ))
   (( segid "    " and resid 134  and name HG1 ))
      3.500     1.500     1.500 peak  2089 spectrum    1 weight  0.10000E+01 volume  0.11410E-01 ppm1      8.280 ppm2      2.113 CV     1
 ASSI { 2090}
   (( segid "    " and resid 134  and name HN  ))
   (( segid "    " and resid 134  and name HB1 ))
      3.000     1.100     1.100 peak  2090 spectrum    1 weight  0.10000E+01 volume  0.37310E-01 ppm1      8.280 ppm2      1.762 CV     1
 ASSI { 2092}
   (( segid "    " and resid 134  and name HN  ))
   (  segid "    " and resid 132  and name HB% )
      3.800     1.800     1.800 peak  2092 spectrum    1 weight  0.10000E+01 volume  0.80413E-02 ppm1      8.279 ppm2      1.003 CV     1
 ASSI { 2097}
   (( segid "    " and resid 48   and name HE21))
   (( segid "    " and resid 45   and name HA  ))
      6.000     4.500     0.000 peak  2097 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.778 ppm2      4.618 CV     1
 ASSI { 2103}
   (( segid "    " and resid 48   and name HE21))
   (( segid "    " and resid 48   and name HG2 ))
      2.900     1.000     1.000 peak  2103 spectrum    1 weight  0.10000E+01 volume  0.13872E-01 ppm1      7.768 ppm2      2.536 CV     1
 ASSI { 2104}
   (( segid "    " and resid 48   and name HE21))
   (( segid "    " and resid 48   and name HB2 ))
      4.700     2.700     1.300 peak  2104 spectrum    1 weight  0.10000E+01 volume  0.16566E-02 ppm1      7.771 ppm2      2.283 CV     1
 ASSI { 2105}
   (( segid "    " and resid 125  and name HN  ))
   (( segid "    " and resid 123  and name HN  ))
      4.200     2.300     1.800 peak  2105 spectrum    1 weight  0.10000E+01 volume  0.14076E-02 ppm1      7.604 ppm2      6.938 CV     1
 ASSI { 2109}
   (( segid "    " and resid 48   and name HE22))
   (( segid "    " and resid 48   and name HE21))
      1.400     0.200     0.800 peak  2109 spectrum    1 weight  0.10000E+01 volume  0.57342E-01 ppm1      7.039 ppm2      7.766 CV     1
 ASSI { 2112}
   (( segid "    " and resid 48   and name HE22))
   (( segid "    " and resid 90   and name HA2 ))
      4.100     2.100     1.900 peak  2112 spectrum    1 weight  0.10000E+01 volume  0.30803E-02 ppm1      7.039 ppm2      4.313 CV     1
 ASSI { 2113}
   (( segid "    " and resid 48   and name HE22))
   (( segid "    " and resid 48   and name HG2 ))
      3.800     1.800     1.800 peak  2113 spectrum    1 weight  0.10000E+01 volume  0.59757E-02 ppm1      7.040 ppm2      2.535 CV     1
 ASSI { 2114}
   (( segid "    " and resid 48   and name HE22))
   (( segid "    " and resid 50   and name HB1 ))
      4.700     2.800     1.300 peak  2114 spectrum    1 weight  0.10000E+01 volume  0.13897E-02 ppm1      7.041 ppm2      1.998 CV     1
 OR { 2114}
   (( segid "    " and resid 48   and name HE22))
   (( segid "    " and resid 50   and name HB2 ))
 ASSI { 2118}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 29   and name HA  ))
      2.300     0.700     0.700 peak  2118 spectrum    1 weight  0.10000E+01 volume  0.34454E-01 ppm1      8.934 ppm2      4.338 CV     1
 ASSI { 2120}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 30   and name HA  ))
      2.400     0.700     0.700 peak  2120 spectrum    1 weight  0.10000E+01 volume  0.32740E-01 ppm1      8.934 ppm2      3.920 CV     1
 ASSI { 2123}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 30   and name HG1 ))
      3.500     1.500     1.500 peak  2123 spectrum    1 weight  0.10000E+01 volume  0.21136E-01 ppm1      8.934 ppm2      2.144 CV     1
 ASSI { 2124}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 29   and name HB1 ))
      3.700     1.700     1.700 peak  2124 spectrum    1 weight  0.10000E+01 volume  0.10375E-01 ppm1      8.935 ppm2      1.922 CV     1
 ASSI { 2125}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 64   and name HG  ))
      4.700     2.800     1.300 peak  2125 spectrum    1 weight  0.10000E+01 volume  0.57121E-02 ppm1      8.932 ppm2      0.743 CV     1
 ASSI { 2128}
   (( segid "    " and resid 102  and name HN  ))
   (( segid "    " and resid 101  and name HN  ))
      6.000     6.000     0.000 peak  2128 spectrum    1 weight  0.10000E+01 volume  0.17666E-03 ppm1      8.401 ppm2      9.844 CV     1
 ASSI { 2131}
   (( segid "    " and resid 102  and name HN  ))
   (( segid "    " and resid 2    and name HA  ))
      3.100     3.100     2.900 peak  2131 spectrum    1 weight  0.10000E+01 volume  0.82764E-03 ppm1      8.402 ppm2      4.238 CV     1
 ASSI { 2132}
   (( segid "    " and resid 102  and name HN  ))
   (( segid "    " and resid 101  and name HB2 ))
      4.500     2.500     1.500 peak  2132 spectrum    1 weight  0.10000E+01 volume  0.38874E-02 ppm1      8.403 ppm2      3.327 CV     1
 ASSI { 2133}
   (( segid "    " and resid 102  and name HN  ))
   (( segid "    " and resid 101  and name HB1 ))
      4.100     2.100     1.900 peak  2133 spectrum    1 weight  0.10000E+01 volume  0.42817E-02 ppm1      8.401 ppm2      2.313 CV     1
 ASSI { 2149}
   (( segid "    " and resid 156  and name HD21))
   (( segid "    " and resid 156  and name HD22))
      1.700     0.300     0.500 peak  2149 spectrum    1 weight  0.10000E+01 volume  0.97141E-01 ppm1      7.786 ppm2      7.084 CV     1
 ASSI { 2150}
   (( segid "    " and resid 156  and name HD21))
   (( segid "    " and resid 156  and name HA  ))
      6.000     5.300     0.000 peak  2150 spectrum    1 weight  0.10000E+01 volume  0.76918E-03 ppm1      7.789 ppm2      4.955 CV     1
 ASSI { 2152}
   (( segid "    " and resid 156  and name HD21))
   (( segid "    " and resid 156  and name HB1 ))
      2.500     0.800     0.800 peak  2152 spectrum    1 weight  0.10000E+01 volume  0.19296E-01 ppm1      7.791 ppm2      2.857 CV     1
 OR { 2152}
   (( segid "    " and resid 156  and name HD21))
   (( segid "    " and resid 156  and name HB2 ))
 ASSI { 2154}
   (( segid "    " and resid 48   and name HE21))
   (( segid "    " and resid 44   and name HB2 ))
      4.900     3.000     1.100 peak  2154 spectrum    1 weight  0.10000E+01 volume  0.17518E-02 ppm1      7.766 ppm2      1.955 CV     1
 OR { 2154}
   (( segid "    " and resid 48   and name HE21))
   (( segid "    " and resid 44   and name HB1 ))
 ASSI { 2156}
   (( segid "    " and resid 156  and name HD22))
   (( segid "    " and resid 156  and name HN  ))
      4.600     2.700     1.400 peak  2156 spectrum    1 weight  0.10000E+01 volume  0.20108E-02 ppm1      7.090 ppm2      9.322 CV     1
 ASSI { 2159}
   (( segid "    " and resid 156  and name HD22))
   (( segid "    " and resid 156  and name HA  ))
      3.500     3.500     2.500 peak  2159 spectrum    1 weight  0.10000E+01 volume  0.44896E-03 ppm1      7.091 ppm2      4.942 CV     1
 ASSI { 2160}
   (( segid "    " and resid 156  and name HD22))
   (( segid "    " and resid 156  and name HB1 ))
      3.900     1.900     1.900 peak  2160 spectrum    1 weight  0.10000E+01 volume  0.15207E-01 ppm1      7.095 ppm2      2.860 CV     1
 OR { 2160}
   (( segid "    " and resid 156  and name HD22))
   (( segid "    " and resid 156  and name HB2 ))
 ASSI { 2161}
   (( segid "    " and resid 48   and name HE22))
   (( segid "    " and resid 10   and name HD21))
      4.600     2.700     1.400 peak  2161 spectrum    1 weight  0.10000E+01 volume  0.15933E-02 ppm1      7.038 ppm2      6.868 CV     1
 ASSI { 2162}
   (( segid "    " and resid 48   and name HE22))
   (( segid "    " and resid 45   and name HA  ))
      6.000     4.500     0.000 peak  2162 spectrum    1 weight  0.10000E+01 volume  0.15656E-02 ppm1      7.039 ppm2      4.575 CV     1
 ASSI { 2163}
   (( segid "    " and resid 48   and name HE22))
   (( segid "    " and resid 44   and name HG2 ))
      4.100     2.200     1.900 peak  2163 spectrum    1 weight  0.10000E+01 volume  0.21246E-02 ppm1      7.039 ppm2      2.206 CV     1
 OR { 2163}
   (( segid "    " and resid 48   and name HE22))
   (( segid "    " and resid 44   and name HG1 ))
 ASSI { 2164}
   (( segid "    " and resid 128  and name HN  ))
   (( segid "    " and resid 129  and name HN  ))
      2.500     0.800     0.800 peak  2164 spectrum    1 weight  0.10000E+01 volume  0.13239E-01 ppm1      6.569 ppm2      8.663 CV     1
 ASSI { 2167}
   (( segid "    " and resid 128  and name HN  ))
   (( segid "    " and resid 126  and name HA  ))
      3.800     1.800     1.800 peak  2167 spectrum    1 weight  0.10000E+01 volume  0.55927E-02 ppm1      6.570 ppm2      4.795 CV     1
 ASSI { 2168}
   (( segid "    " and resid 128  and name HN  ))
   (( segid "    " and resid 127  and name HA  ))
      3.700     1.700     1.700 peak  2168 spectrum    1 weight  0.10000E+01 volume  0.38903E-02 ppm1      6.569 ppm2      4.533 CV     1
 ASSI { 2169}
   (( segid "    " and resid 128  and name HN  ))
   (( segid "    " and resid 125  and name HA  ))
      2.900     1.100     1.100 peak  2169 spectrum    1 weight  0.10000E+01 volume  0.14591E-01 ppm1      6.570 ppm2      3.837 CV     1
 ASSI { 2170}
   (( segid "    " and resid 128  and name HN  ))
   (( segid "    " and resid 127  and name HD1 ))
      4.000     2.000     2.000 peak  2170 spectrum    1 weight  0.10000E+01 volume  0.47468E-02 ppm1      6.571 ppm2      3.395 CV     1
 ASSI { 2171}
   (( segid "    " and resid 128  and name HN  ))
   (( segid "    " and resid 127  and name HD2 ))
      2.600     0.800     0.800 peak  2171 spectrum    1 weight  0.10000E+01 volume  0.85888E-02 ppm1      6.568 ppm2      3.214 CV     1
 ASSI { 2172}
   (( segid "    " and resid 128  and name HN  ))
   (( segid "    " and resid 129  and name HB1 ))
      4.100     2.100     1.900 peak  2172 spectrum    1 weight  0.10000E+01 volume  0.61611E-02 ppm1      6.567 ppm2      2.881 CV     1
 ASSI { 2173}
   (( segid "    " and resid 128  and name HN  ))
   (( segid "    " and resid 127  and name HB2 ))
      2.700     0.900     0.900 peak  2173 spectrum    1 weight  0.10000E+01 volume  0.59626E-02 ppm1      6.568 ppm2      2.702 CV     1
 ASSI { 2175}
   (( segid "    " and resid 128  and name HN  ))
   (( segid "    " and resid 127  and name HG1 ))
      4.200     2.200     1.800 peak  2175 spectrum    1 weight  0.10000E+01 volume  0.67705E-02 ppm1      6.571 ppm2      1.562 CV     1
 ASSI { 2177}
   (( segid "    " and resid 128  and name HN  ))
   (  segid "    " and resid 128  and name HD2%)
      4.000     2.000     2.000 peak  2177 spectrum    1 weight  0.10000E+01 volume  0.10567E-01 ppm1      6.569 ppm2      0.578 CV     1
 OR { 2177}
   (( segid "    " and resid 128  and name HN  ))
   (  segid "    " and resid 128  and name HD1%)
 ASSI { 2178}
   (( segid "    " and resid 128  and name HN  ))
   (( segid "    " and resid 128  and name HG  ))
      3.700     1.700     1.700 peak  2178 spectrum    1 weight  0.10000E+01 volume  0.10230E-01 ppm1      6.569 ppm2      0.305 CV     1
 ASSI { 2182}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 76   and name HN  ))
      6.000     4.400     0.000 peak  2182 spectrum    1 weight  0.10000E+01 volume  0.58075E-03 ppm1      9.344 ppm2      8.000 CV     1
 ASSI { 2183}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 72   and name HN  ))
      2.600     0.800     0.800 peak  2183 spectrum    1 weight  0.10000E+01 volume  0.18356E-01 ppm1      9.344 ppm2      7.772 CV     1
 ASSI { 2187}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 70   and name HA  ))
      3.500     1.500     1.500 peak  2187 spectrum    1 weight  0.10000E+01 volume  0.38293E-02 ppm1      9.343 ppm2      4.597 CV     1
 ASSI { 2189}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 73   and name HA  ))
      2.700     0.900     0.900 peak  2189 spectrum    1 weight  0.10000E+01 volume  0.12832E-01 ppm1      9.343 ppm2      4.346 CV     1
 ASSI { 2190}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 73   and name HB  ))
      3.100     1.200     1.200 peak  2190 spectrum    1 weight  0.10000E+01 volume  0.96547E-02 ppm1      9.342 ppm2      3.947 CV     1
 ASSI { 2191}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 72   and name HB2 ))
      3.600     1.600     1.600 peak  2191 spectrum    1 weight  0.10000E+01 volume  0.80162E-02 ppm1      9.342 ppm2      3.452 CV     1
 ASSI { 2193}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 71   and name HB1 ))
      5.900     4.400     0.100 peak  2193 spectrum    1 weight  0.10000E+01 volume  0.74590E-03 ppm1      9.344 ppm2      2.602 CV     1
 ASSI { 2194}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 68   and name HG1 ))
      3.000     3.000     3.000 peak  2194 spectrum    1 weight  0.10000E+01 volume  0.10592E-02 ppm1      9.343 ppm2      2.407 CV     1
 OR { 2194}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 68   and name HG2 ))
 ASSI { 2195}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 69   and name HB2 ))
      2.100     2.100     3.900 peak  2195 spectrum    1 weight  0.10000E+01 volume  0.97807E-02 ppm1      9.344 ppm2      2.232 CV     1
 ASSI { 2198}
   (( segid "    " and resid 73   and name HN  ))
   (  segid "    " and resid 73   and name HG2%)
      2.300     0.700     0.700 peak  2198 spectrum    1 weight  0.10000E+01 volume  0.30982E-01 ppm1      9.343 ppm2      1.070 CV     1
 ASSI { 2199}
   (( segid "    " and resid 73   and name HN  ))
   (  segid "    " and resid 28   and name HD1%)
      3.400     1.400     1.400 peak  2199 spectrum    1 weight  0.10000E+01 volume  0.30883E-01 ppm1      9.343 ppm2      0.794 CV     1
 ASSI { 2204}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 7    and name HN  ))
      5.500     3.800     0.500 peak  2204 spectrum    1 weight  0.10000E+01 volume  0.92020E-03 ppm1      8.728 ppm2      8.966 CV     1
 ASSI { 2205}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 9    and name HN  ))
      4.900     3.000     1.100 peak  2205 spectrum    1 weight  0.10000E+01 volume  0.19589E-02 ppm1      8.726 ppm2      7.992 CV     1
 ASSI { 2206}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 8    and name HA2 ))
      3.200     1.300     1.300 peak  2206 spectrum    1 weight  0.10000E+01 volume  0.60909E-02 ppm1      8.731 ppm2      5.754 CV     1
 ASSI { 2207}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 96   and name HA  ))
      5.500     3.800     0.500 peak  2207 spectrum    1 weight  0.10000E+01 volume  0.51976E-03 ppm1      8.730 ppm2      5.364 CV     1
 ASSI { 2208}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 94   and name HA  ))
      2.900     1.100     1.100 peak  2208 spectrum    1 weight  0.10000E+01 volume  0.32736E-01 ppm1      8.728 ppm2      4.825 CV     1
 ASSI { 2209}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 8    and name HA1 ))
      2.900     1.000     1.000 peak  2209 spectrum    1 weight  0.10000E+01 volume  0.71485E-02 ppm1      8.731 ppm2      4.157 CV     1
 ASSI { 2210}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 95   and name HB2 ))
      6.000     5.400     0.000 peak  2210 spectrum    1 weight  0.10000E+01 volume  0.46341E-03 ppm1      8.734 ppm2      2.966 CV     1
 ASSI { 2211}
   (( segid "    " and resid 8    and name HN  ))
   (  segid "    " and resid 7    and name HG2%)
      2.300     0.600     0.600 peak  2211 spectrum    1 weight  0.10000E+01 volume  0.41163E-01 ppm1      8.730 ppm2      0.790 CV     1
 ASSI { 2214}
   (( segid "    " and resid 107  and name HD21))
   (( segid "    " and resid 107  and name HD22))
      1.400     0.300     0.800 peak  2214 spectrum    1 weight  0.10000E+01 volume  0.13897E+00 ppm1      7.816 ppm2      6.797 CV     1
 ASSI { 2215}
   (( segid "    " and resid 107  and name HD21))
   (( segid "    " and resid 107  and name HA  ))
      3.700     1.700     1.700 peak  2215 spectrum    1 weight  0.10000E+01 volume  0.66356E-03 ppm1      7.816 ppm2      5.505 CV     1
 ASSI { 2216}
   (( segid "    " and resid 107  and name HD21))
   (( segid "    " and resid 107  and name HB1 ))
      3.000     1.200     1.200 peak  2216 spectrum    1 weight  0.10000E+01 volume  0.15939E-01 ppm1      7.816 ppm2      2.699 CV     1
 ASSI { 2217}
   (( segid "    " and resid 107  and name HD21))
   (  segid "    " and resid 105  and name HG1%)
      3.600     1.600     1.600 peak  2217 spectrum    1 weight  0.10000E+01 volume  0.90004E-02 ppm1      7.817 ppm2      1.039 CV     1
 OR { 2217}
   (( segid "    " and resid 107  and name HD21))
   (  segid "    " and resid 105  and name HG2%)
 ASSI { 2223}
   (( segid "    " and resid 107  and name HD22))
   (  segid "    " and resid 112  and name HG2%)
      3.900     1.900     1.900 peak  2223 spectrum    1 weight  0.10000E+01 volume  0.26516E-02 ppm1      6.803 ppm2      1.450 CV     1
 ASSI { 2224}
   (( segid "    " and resid 107  and name HD22))
   (  segid "    " and resid 105  and name HG1%)
      3.100     1.200     1.200 peak  2224 spectrum    1 weight  0.10000E+01 volume  0.98472E-02 ppm1      6.802 ppm2      1.044 CV     1
 OR { 2224}
   (( segid "    " and resid 107  and name HD22))
   (  segid "    " and resid 105  and name HG2%)
 ASSI { 2225}
   (( segid "    " and resid 128  and name HN  ))
   (( segid "    " and resid 128  and name HB1 ))
      2.800     1.000     1.000 peak  2225 spectrum    1 weight  0.10000E+01 volume  0.68019E-02 ppm1      6.568 ppm2      1.216 CV     1
 ASSI { 2227}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 96   and name HB1 ))
      2.900     2.900     3.100 peak  2227 spectrum    1 weight  0.10000E+01 volume  0.23769E-01 ppm1      8.733 ppm2      0.959 CV     1
 ASSI { 2232}
   (( segid "    " and resid 107  and name HD21))
   (  segid "    " and resid 112  and name HG2%)
      3.300     1.400     1.400 peak  2232 spectrum    1 weight  0.10000E+01 volume  0.62094E-02 ppm1      7.816 ppm2      1.457 CV     1
 ASSI { 2247}
   (( segid "    " and resid 107  and name HD22))
   (( segid "    " and resid 107  and name HA  ))
      6.000     5.700     0.000 peak  2247 spectrum    1 weight  0.10000E+01 volume  0.54118E-03 ppm1      6.801 ppm2      5.519 CV     1
 ASSI { 2259}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 65   and name HN  ))
      4.500     2.500     1.500 peak  2259 spectrum    1 weight  0.10000E+01 volume  0.39299E-02 ppm1      8.734 ppm2      8.405 CV     1
 ASSI { 2260}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 69   and name HN  ))
      3.400     1.500     1.500 peak  2260 spectrum    1 weight  0.10000E+01 volume  0.56339E-02 ppm1      8.732 ppm2      8.225 CV     1
 ASSI { 2263}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 65   and name HA  ))
      4.000     2.000     2.000 peak  2263 spectrum    1 weight  0.10000E+01 volume  0.42892E-02 ppm1      8.735 ppm2      4.600 CV     1
 ASSI { 2264}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 66   and name HD2 ))
      2.400     0.700     0.700 peak  2264 spectrum    1 weight  0.10000E+01 volume  0.20400E-01 ppm1      8.733 ppm2      3.640 CV     1
 ASSI { 2265}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 66   and name HA  ))
      2.800     1.000     1.000 peak  2265 spectrum    1 weight  0.10000E+01 volume  0.14495E-01 ppm1      8.734 ppm2      3.373 CV     1
 ASSI { 2266}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 68   and name HG1 ))
      5.900     4.300     0.100 peak  2266 spectrum    1 weight  0.10000E+01 volume  0.15506E-02 ppm1      8.733 ppm2      2.404 CV     1
 OR { 2266}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 68   and name HG2 ))
 ASSI { 2267}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 67   and name HG2 ))
      3.100     1.200     1.200 peak  2267 spectrum    1 weight  0.10000E+01 volume  0.19044E-01 ppm1      8.734 ppm2      2.155 CV     1
 ASSI { 2268}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 67   and name HB2 ))
      2.600     0.800     0.800 peak  2268 spectrum    1 weight  0.10000E+01 volume  0.41661E-01 ppm1      8.734 ppm2      1.848 CV     1
 OR { 2268}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 67   and name HB1 ))
 ASSI { 2271}
   (( segid "    " and resid 67   and name HN  ))
   (  segid "    " and resid 111  and name HD2%)
      3.600     1.600     1.600 peak  2271 spectrum    1 weight  0.10000E+01 volume  0.98976E-02 ppm1      8.734 ppm2      0.333 CV     1
 ASSI { 2277}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 48   and name HE21))
      5.500     3.700     0.500 peak  2277 spectrum    1 weight  0.10000E+01 volume  0.28555E-02 ppm1      8.562 ppm2      7.767 CV     1
 ASSI { 2278}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 89   and name HE3 ))
      5.700     4.100     0.300 peak  2278 spectrum    1 weight  0.10000E+01 volume  0.54691E-03 ppm1      8.562 ppm2      7.599 CV     1
 ASSI { 2280}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 46   and name HA2 ))
      2.600     0.900     0.900 peak  2280 spectrum    1 weight  0.10000E+01 volume  0.10358E-01 ppm1      8.562 ppm2      4.694 CV     1
 ASSI { 2281}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 45   and name HA  ))
      1.900     0.500     0.500 peak  2281 spectrum    1 weight  0.10000E+01 volume  0.42524E-01 ppm1      8.562 ppm2      4.566 CV     1
 ASSI { 2284}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 46   and name HA1 ))
      2.500     0.800     0.800 peak  2284 spectrum    1 weight  0.10000E+01 volume  0.21555E-01 ppm1      8.562 ppm2      3.666 CV     1
 ASSI { 2285}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 50   and name HB2 ))
      6.000     5.100     0.000 peak  2285 spectrum    1 weight  0.10000E+01 volume  0.48942E-03 ppm1      8.563 ppm2      2.033 CV     1
 OR { 2285}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 50   and name HB1 ))
 ASSI { 2286}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 45   and name HB1 ))
      3.400     1.500     1.500 peak  2286 spectrum    1 weight  0.10000E+01 volume  0.94333E-02 ppm1      8.562 ppm2      1.598 CV     1
 OR { 2286}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 45   and name HB2 ))
 ASSI { 2287}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 45   and name HG  ))
      4.800     2.900     1.200 peak  2287 spectrum    1 weight  0.10000E+01 volume  0.55914E-02 ppm1      8.561 ppm2      1.340 CV     1
 ASSI { 2288}
   (( segid "    " and resid 46   and name HN  ))
   (  segid "    " and resid 45   and name HD2%)
      3.300     1.400     1.400 peak  2288 spectrum    1 weight  0.10000E+01 volume  0.20669E-01 ppm1      8.560 ppm2      1.045 CV     1
 ASSI { 2306}
   (( segid "    " and resid 93   and name HN  ))
   (( segid "    " and resid 92   and name HA  ))
      2.500     0.800     0.800 peak  2306 spectrum    1 weight  0.10000E+01 volume  0.18267E-01 ppm1      8.753 ppm2      4.911 CV     1
 ASSI { 2307}
   (( segid "    " and resid 93   and name HN  ))
   (( segid "    " and resid 94   and name HA  ))
      3.400     3.400     2.600 peak  2307 spectrum    1 weight  0.10000E+01 volume  0.99939E-02 ppm1      8.755 ppm2      4.875 CV     1
 ASSI { 2308}
   (( segid "    " and resid 93   and name HN  ))
   (( segid "    " and resid 93   and name HA  ))
      2.500     0.800     0.800 peak  2308 spectrum    1 weight  0.10000E+01 volume  0.12117E-01 ppm1      8.756 ppm2      4.031 CV     1
 ASSI { 2309}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 68   and name HA  ))
      5.100     3.300     0.900 peak  2309 spectrum    1 weight  0.10000E+01 volume  0.18996E-02 ppm1      8.744 ppm2      4.357 CV     1
 ASSI { 2317}
   (( segid "    " and resid 149  and name HN  ))
   (( segid "    " and resid 145  and name HG2 ))
      6.000     4.800     0.000 peak  2317 spectrum    1 weight  0.10000E+01 volume  0.15656E-03 ppm1      8.360 ppm2      2.476 CV     1
 ASSI { 2318}
   (( segid "    " and resid 149  and name HN  ))
   (( segid "    " and resid 147  and name HB2 ))
      2.600     2.600     3.400 peak  2318 spectrum    1 weight  0.10000E+01 volume  0.23118E-02 ppm1      8.364 ppm2      1.090 CV     1
 ASSI { 2321}
   (( segid "    " and resid 149  and name HN  ))
   (( segid "    " and resid 148  and name HN  ))
      2.700     0.900     0.900 peak  2321 spectrum    1 weight  0.10000E+01 volume  0.19432E-01 ppm1      8.357 ppm2      7.545 CV     1
 ASSI { 2324}
   (( segid "    " and resid 149  and name HN  ))
   (( segid "    " and resid 148  and name HA  ))
      3.700     1.700     1.700 peak  2324 spectrum    1 weight  0.10000E+01 volume  0.59244E-02 ppm1      8.356 ppm2      4.461 CV     1
 ASSI { 2325}
   (( segid "    " and resid 149  and name HN  ))
   (( segid "    " and resid 149  and name HB  ))
      2.600     0.800     0.800 peak  2325 spectrum    1 weight  0.10000E+01 volume  0.17997E-01 ppm1      8.357 ppm2      4.189 CV     1
 ASSI { 2328}
   (( segid "    " and resid 149  and name HN  ))
   (( segid "    " and resid 148  and name HB2 ))
      3.500     1.500     1.500 peak  2328 spectrum    1 weight  0.10000E+01 volume  0.21743E-01 ppm1      8.358 ppm2      3.295 CV     1
 ASSI { 2330}
   (( segid "    " and resid 149  and name HN  ))
   (( segid "    " and resid 150  and name HG1 ))
      5.300     3.500     0.700 peak  2330 spectrum    1 weight  0.10000E+01 volume  0.29535E-02 ppm1      8.356 ppm2      1.436 CV     1
 ASSI { 2332}
   (( segid "    " and resid 149  and name HN  ))
   (( segid "    " and resid 150  and name HB1 ))
      5.300     3.500     0.700 peak  2332 spectrum    1 weight  0.10000E+01 volume  0.43473E-02 ppm1      8.355 ppm2      0.924 CV     1
 ASSI { 2334}
   (( segid "    " and resid 110  and name HN  ))
   (( segid "    " and resid 109  and name HN  ))
      2.500     0.800     0.800 peak  2334 spectrum    1 weight  0.10000E+01 volume  0.13500E-01 ppm1      7.953 ppm2      8.879 CV     1
 ASSI { 2336}
   (( segid "    " and resid 110  and name HN  ))
   (( segid "    " and resid 111  and name HN  ))
      1.800     0.400     0.400 peak  2336 spectrum    1 weight  0.10000E+01 volume  0.28634E-01 ppm1      7.953 ppm2      7.632 CV     1
 ASSI { 2338}
   (( segid "    " and resid 110  and name HN  ))
   (( segid "    " and resid 108  and name HB  ))
      3.800     1.800     1.800 peak  2338 spectrum    1 weight  0.10000E+01 volume  0.95809E-02 ppm1      7.955 ppm2      4.661 CV     1
 ASSI { 2339}
   (( segid "    " and resid 110  and name HN  ))
   (( segid "    " and resid 110  and name HA  ))
      2.700     0.900     0.900 peak  2339 spectrum    1 weight  0.10000E+01 volume  0.10124E-01 ppm1      7.953 ppm2      4.230 CV     1
 ASSI { 2340}
   (( segid "    " and resid 110  and name HN  ))
   (( segid "    " and resid 109  and name HA  ))
      3.300     1.400     1.400 peak  2340 spectrum    1 weight  0.10000E+01 volume  0.94630E-02 ppm1      7.953 ppm2      4.028 CV     1
 ASSI { 2341}
   (( segid "    " and resid 110  and name HN  ))
   (( segid "    " and resid 110  and name HD1 ))
      5.200     3.400     0.800 peak  2341 spectrum    1 weight  0.10000E+01 volume  0.29019E-02 ppm1      7.952 ppm2      3.248 CV     1
 OR { 2341}
   (( segid "    " and resid 110  and name HN  ))
   (( segid "    " and resid 110  and name HD2 ))
 ASSI { 2343}
   (( segid "    " and resid 110  and name HN  ))
   (( segid "    " and resid 109  and name HG1 ))
      4.400     2.500     1.600 peak  2343 spectrum    1 weight  0.10000E+01 volume  0.38934E-02 ppm1      7.952 ppm2      2.288 CV     1
 ASSI { 2344}
   (( segid "    " and resid 110  and name HN  ))
   (( segid "    " and resid 109  and name HB2 ))
      2.400     0.700     0.700 peak  2344 spectrum    1 weight  0.10000E+01 volume  0.18186E-01 ppm1      7.951 ppm2      2.034 CV     1
 OR { 2344}
   (( segid "    " and resid 110  and name HN  ))
   (( segid "    " and resid 109  and name HB1 ))
 ASSI { 2345}
   (( segid "    " and resid 110  and name HN  ))
   (( segid "    " and resid 110  and name HG2 ))
      2.900     1.100     1.100 peak  2345 spectrum    1 weight  0.10000E+01 volume  0.13895E-01 ppm1      7.953 ppm2      1.777 CV     1
 OR { 2345}
   (( segid "    " and resid 110  and name HN  ))
   (( segid "    " and resid 110  and name HG1 ))
 ASSI { 2346}
   (( segid "    " and resid 110  and name HN  ))
   (( segid "    " and resid 110  and name HB2 ))
      2.500     0.800     0.800 peak  2346 spectrum    1 weight  0.10000E+01 volume  0.14973E-01 ppm1      7.953 ppm2      1.646 CV     1
 ASSI { 2348}
   (( segid "    " and resid 110  and name HN  ))
   (  segid "    " and resid 108  and name HG2%)
      4.700     2.800     1.300 peak  2348 spectrum    1 weight  0.10000E+01 volume  0.82605E-02 ppm1      7.950 ppm2      1.228 CV     1
 ASSI { 2349}
   (( segid "    " and resid 110  and name HN  ))
   (( segid "    " and resid 111  and name HB1 ))
      4.000     2.000     2.000 peak  2349 spectrum    1 weight  0.10000E+01 volume  0.75571E-02 ppm1      7.953 ppm2      0.922 CV     1
 ASSI { 2362}
   (( segid "    " and resid 100  and name HN  ))
   (( segid "    " and resid 99   and name HN  ))
      2.200     0.600     0.600 peak  2362 spectrum    1 weight  0.10000E+01 volume  0.11284E-01 ppm1      7.523 ppm2      9.588 CV     1
 ASSI { 2364}
   (( segid "    " and resid 100  and name HN  ))
   (  segid "    " and resid 4    and name HD% )
      3.700     1.800     1.800 peak  2364 spectrum    1 weight  0.10000E+01 volume  0.62058E-02 ppm1      7.521 ppm2      6.820 CV     1
 ASSI { 2365}
   (( segid "    " and resid 100  and name HN  ))
   (( segid "    " and resid 100  and name HA  ))
      2.400     0.700     0.700 peak  2365 spectrum    1 weight  0.10000E+01 volume  0.11050E-01 ppm1      7.523 ppm2      4.827 CV     1
 ASSI { 2366}
   (( segid "    " and resid 100  and name HN  ))
   (( segid "    " and resid 98   and name HA  ))
      4.300     2.300     1.700 peak  2366 spectrum    1 weight  0.10000E+01 volume  0.49371E-02 ppm1      7.523 ppm2      4.166 CV     1
 ASSI { 2368}
   (( segid "    " and resid 100  and name HN  ))
   (( segid "    " and resid 99   and name HB2 ))
      2.600     0.900     0.900 peak  2368 spectrum    1 weight  0.10000E+01 volume  0.10354E-01 ppm1      7.522 ppm2      2.291 CV     1
 ASSI { 2370}
   (( segid "    " and resid 100  and name HN  ))
   (( segid "    " and resid 100  and name HB2 ))
      2.500     0.800     0.800 peak  2370 spectrum    1 weight  0.10000E+01 volume  0.14271E-01 ppm1      7.522 ppm2      2.031 CV     1
 ASSI { 2371}
   (( segid "    " and resid 100  and name HN  ))
   (( segid "    " and resid 100  and name HB1 ))
      3.500     1.500     1.500 peak  2371 spectrum    1 weight  0.10000E+01 volume  0.96844E-02 ppm1      7.521 ppm2      1.791 CV     1
 ASSI { 2372}
   (( segid "    " and resid 100  and name HN  ))
   (( segid "    " and resid 100  and name HG  ))
      3.100     1.200     1.200 peak  2372 spectrum    1 weight  0.10000E+01 volume  0.70408E-02 ppm1      7.522 ppm2      1.599 CV     1
 ASSI { 2374}
   (( segid "    " and resid 100  and name HN  ))
   (( segid "    " and resid 98   and name HG11))
      3.700     1.700     1.700 peak  2374 spectrum    1 weight  0.10000E+01 volume  0.17422E-01 ppm1      7.525 ppm2      0.983 CV     1
 ASSI { 2379}
   (( segid "    " and resid 100  and name HN  ))
   (( segid "    " and resid 4    and name HA  ))
      5.500     3.800     0.500 peak  2379 spectrum    1 weight  0.10000E+01 volume  0.91147E-03 ppm1      7.528 ppm2      5.545 CV     1
 ASSI { 2381}
   (( segid "    " and resid 100  and name HN  ))
   (( segid "    " and resid 101  and name HN  ))
      4.100     2.100     1.900 peak  2381 spectrum    1 weight  0.10000E+01 volume  0.58605E-03 ppm1      7.522 ppm2      9.846 CV     1
 ASSI { 2385}
   (( segid "    " and resid 71   and name HD21))
   (( segid "    " and resid 71   and name HD22))
      2.100     0.600     0.600 peak  2385 spectrum    1 weight  0.10000E+01 volume  0.22642E-01 ppm1      7.451 ppm2      7.197 CV     1
 ASSI { 2390}
   (( segid "    " and resid 71   and name HD22))
   (( segid "    " and resid 71   and name HB1 ))
      4.500     2.600     1.500 peak  2390 spectrum    1 weight  0.10000E+01 volume  0.49207E-02 ppm1      7.203 ppm2      2.621 CV     1
 ASSI { 2398}
   (( segid "    " and resid 38   and name HN  ))
   (  segid "    " and resid 40   and name HD% )
      3.800     1.800     1.800 peak  2398 spectrum    1 weight  0.10000E+01 volume  0.69918E-02 ppm1      9.304 ppm2      7.035 CV     1
 ASSI { 2400}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 37   and name HB2 ))
      2.400     0.700     0.700 peak  2400 spectrum    1 weight  0.10000E+01 volume  0.87462E-02 ppm1      9.304 ppm2      5.119 CV     1
 ASSI { 2402}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 37   and name HA  ))
      3.200     1.300     1.300 peak  2402 spectrum    1 weight  0.10000E+01 volume  0.14414E-01 ppm1      9.301 ppm2      4.260 CV     1
 ASSI { 2408}
   (( segid "    " and resid 50   and name HE21))
   (( segid "    " and resid 50   and name HG1 ))
      2.500     0.800     0.800 peak  2408 spectrum    1 weight  0.10000E+01 volume  0.82142E-02 ppm1      8.302 ppm2      2.364 CV     1
 OR { 2408}
   (( segid "    " and resid 50   and name HE21))
   (( segid "    " and resid 50   and name HG2 ))
 ASSI { 2412}
   (( segid "    " and resid 71   and name HD21))
   (( segid "    " and resid 71   and name HB2 ))
      4.100     2.100     1.900 peak  2412 spectrum    1 weight  0.10000E+01 volume  0.57064E-02 ppm1      7.452 ppm2      3.089 CV     1
 ASSI { 2413}
   (( segid "    " and resid 71   and name HD21))
   (( segid "    " and resid 71   and name HB1 ))
      2.700     0.900     0.900 peak  2413 spectrum    1 weight  0.10000E+01 volume  0.57915E-02 ppm1      7.453 ppm2      2.622 CV     1
 ASSI { 2415}
   (( segid "    " and resid 71   and name HD22))
   (( segid "    " and resid 71   and name HB2 ))
      5.100     3.300     0.900 peak  2415 spectrum    1 weight  0.10000E+01 volume  0.39424E-02 ppm1      7.204 ppm2      3.105 CV     1
 ASSI { 2418}
   (( segid "    " and resid 71   and name HD22))
   (( segid "    " and resid 68   and name HG1 ))
      6.000     5.300     0.000 peak  2418 spectrum    1 weight  0.10000E+01 volume  0.47269E-03 ppm1      7.198 ppm2      2.421 CV     1
 OR { 2418}
   (( segid "    " and resid 71   and name HD22))
   (( segid "    " and resid 68   and name HG2 ))
 ASSI { 2420}
   (( segid "    " and resid 50   and name HE22))
   (( segid "    " and resid 50   and name HE21))
      1.900     0.400     0.400 peak  2420 spectrum    1 weight  0.10000E+01 volume  0.67504E-02 ppm1      7.125 ppm2      8.285 CV     1
 ASSI { 2421}
   (( segid "    " and resid 50   and name HE22))
   (( segid "    " and resid 90   and name HA2 ))
      3.000     3.000     3.000 peak  2421 spectrum    1 weight  0.10000E+01 volume  0.46098E-03 ppm1      7.125 ppm2      4.321 CV     1
 ASSI { 2424}
   (( segid "    " and resid 50   and name HE22))
   (( segid "    " and resid 50   and name HG1 ))
      3.900     1.900     1.900 peak  2424 spectrum    1 weight  0.10000E+01 volume  0.30842E-02 ppm1      7.124 ppm2      2.355 CV     1
 OR { 2424}
   (( segid "    " and resid 50   and name HE22))
   (( segid "    " and resid 50   and name HG2 ))
 ASSI { 2426}
   (( segid "    " and resid 50   and name HE22))
   (( segid "    " and resid 46   and name HA1 ))
      4.700     2.700     1.300 peak  2426 spectrum    1 weight  0.10000E+01 volume  0.84893E-03 ppm1      7.119 ppm2      3.664 CV     1
 ASSI { 2428}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 37   and name HN  ))
      3.700     1.800     1.800 peak  2428 spectrum    1 weight  0.10000E+01 volume  0.38525E-02 ppm1      9.301 ppm2      9.138 CV     1
 ASSI { 2429}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 38   and name HB1 ))
      4.400     2.400     1.600 peak  2429 spectrum    1 weight  0.10000E+01 volume  0.32895E-02 ppm1      9.303 ppm2      3.528 CV     1
 ASSI { 2432}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 127  and name HG1 ))
      6.000     6.000     0.000 peak  2432 spectrum    1 weight  0.10000E+01 volume  0.32316E-03 ppm1      9.303 ppm2      1.564 CV     1
 ASSI { 2439}
   (( segid "    " and resid 145  and name HE21))
   (( segid "    " and resid 142  and name HA  ))
      3.600     1.700     1.700 peak  2439 spectrum    1 weight  0.10000E+01 volume  0.71067E-02 ppm1      7.592 ppm2      4.807 CV     1
 ASSI { 2441}
   (( segid "    " and resid 103  and name HD21))
   (( segid "    " and resid 138  and name HD1 ))
      6.000     6.000     0.000 peak  2441 spectrum    1 weight  0.10000E+01 volume  0.15568E-03 ppm1      7.583 ppm2      4.028 CV     1
 OR { 2441}
   (( segid "    " and resid 103  and name HD21))
   (( segid "    " and resid 138  and name HD2 ))
 ASSI { 2444}
   (( segid "    " and resid 145  and name HE21))
   (( segid "    " and resid 145  and name HG1 ))
      3.200     1.300     1.300 peak  2444 spectrum    1 weight  0.10000E+01 volume  0.11797E-01 ppm1      7.585 ppm2      2.477 CV     1
 OR { 2444}
   (( segid "    " and resid 145  and name HE21))
   (( segid "    " and resid 145  and name HG2 ))
 ASSI { 2445}
   (( segid "    " and resid 145  and name HE21))
   (( segid "    " and resid 145  and name HB1 ))
      2.300     0.700     0.700 peak  2445 spectrum    1 weight  0.10000E+01 volume  0.38734E-02 ppm1      7.584 ppm2      2.281 CV     1
 OR { 2445}
   (( segid "    " and resid 145  and name HE21))
   (( segid "    " and resid 145  and name HB2 ))
 ASSI { 2446}
   (( segid "    " and resid 103  and name HD21))
   (( segid "    " and resid 104  and name HB1 ))
      4.800     2.900     1.200 peak  2446 spectrum    1 weight  0.10000E+01 volume  0.11157E-02 ppm1      7.586 ppm2      2.212 CV     1
 ASSI { 2447}
   (( segid "    " and resid 103  and name HD21))
   (( segid "    " and resid 138  and name HG1 ))
      5.900     4.300     0.100 peak  2447 spectrum    1 weight  0.10000E+01 volume  0.47216E-03 ppm1      7.584 ppm2      2.002 CV     1
 OR { 2447}
   (( segid "    " and resid 103  and name HD21))
   (( segid "    " and resid 138  and name HG2 ))
 ASSI { 2451}
   (( segid "    " and resid 145  and name HE22))
   (( segid "    " and resid 145  and name HE21))
      1.200     0.200     1.000 peak  2451 spectrum    1 weight  0.10000E+01 volume  0.13342E+00 ppm1      6.939 ppm2      7.583 CV     1
 ASSI { 2454}
   (( segid "    " and resid 145  and name HE22))
   (( segid "    " and resid 145  and name HG1 ))
      4.400     2.400     1.600 peak  2454 spectrum    1 weight  0.10000E+01 volume  0.37370E-02 ppm1      6.942 ppm2      2.471 CV     1
 OR { 2454}
   (( segid "    " and resid 145  and name HE22))
   (( segid "    " and resid 145  and name HG2 ))
 ASSI { 2460}
   (( segid "    " and resid 145  and name HE21))
   (( segid "    " and resid 145  and name HA  ))
      5.100     3.300     0.900 peak  2460 spectrum    1 weight  0.10000E+01 volume  0.11166E-02 ppm1      7.582 ppm2      4.225 CV     1
 ASSI { 2464}
   (( segid "    " and resid 103  and name HD21))
   (( segid "    " and resid 103  and name HB2 ))
      3.800     1.800     1.800 peak  2464 spectrum    1 weight  0.10000E+01 volume  0.11670E-01 ppm1      7.573 ppm2      2.997 CV     1
 ASSI { 2465}
   (( segid "    " and resid 103  and name HD21))
   (( segid "    " and resid 103  and name HB1 ))
      2.600     0.800     0.800 peak  2465 spectrum    1 weight  0.10000E+01 volume  0.11127E-01 ppm1      7.574 ppm2      2.686 CV     1
 ASSI { 2477}
   (( segid "    " and resid 103  and name HD22))
   (( segid "    " and resid 103  and name HD21))
      1.600     0.300     0.600 peak  2477 spectrum    1 weight  0.10000E+01 volume  0.10974E+00 ppm1      6.981 ppm2      7.570 CV     1
 ASSI { 2479}
   (( segid "    " and resid 103  and name HD22))
   (( segid "    " and resid 138  and name HA  ))
      4.000     2.000     2.000 peak  2479 spectrum    1 weight  0.10000E+01 volume  0.10618E-02 ppm1      6.979 ppm2      4.489 CV     1
 ASSI { 2480}
   (( segid "    " and resid 103  and name HD22))
   (( segid "    " and resid 103  and name HB2 ))
      4.700     2.800     1.300 peak  2480 spectrum    1 weight  0.10000E+01 volume  0.72019E-02 ppm1      6.980 ppm2      2.998 CV     1
 ASSI { 2481}
   (( segid "    " and resid 103  and name HD22))
   (( segid "    " and resid 103  and name HA  ))
      6.000     5.700     0.000 peak  2481 spectrum    1 weight  0.10000E+01 volume  0.53193E-03 ppm1      6.977 ppm2      5.168 CV     1
 ASSI { 2489}
   (( segid "    " and resid 123  and name HN  ))
   (( segid "    " and resid 123  and name HA  ))
      2.700     0.900     0.900 peak  2489 spectrum    1 weight  0.10000E+01 volume  0.82920E-02 ppm1      6.938 ppm2      4.356 CV     1
 ASSI { 2490}
   (( segid "    " and resid 145  and name HE22))
   (( segid "    " and resid 143  and name HA  ))
      4.600     2.700     1.400 peak  2490 spectrum    1 weight  0.10000E+01 volume  0.79331E-02 ppm1      6.938 ppm2      4.118 CV     1
 ASSI { 2494}
   (( segid "    " and resid 123  and name HN  ))
   (( segid "    " and resid 124  and name HB2 ))
      4.300     2.300     1.700 peak  2494 spectrum    1 weight  0.10000E+01 volume  0.36950E-02 ppm1      6.936 ppm2      2.185 CV     1
 OR { 2494}
   (( segid "    " and resid 123  and name HN  ))
   (( segid "    " and resid 124  and name HB1 ))
 ASSI { 2495}
   (( segid "    " and resid 123  and name HN  ))
   (( segid "    " and resid 118  and name HB2 ))
      6.000     6.000     0.000 peak  2495 spectrum    1 weight  0.10000E+01 volume  0.49623E-03 ppm1      6.931 ppm2      1.999 CV     1
 OR { 2495}
   (( segid "    " and resid 123  and name HN  ))
   (( segid "    " and resid 118  and name HB1 ))
 ASSI { 2496}
   (( segid "    " and resid 123  and name HN  ))
   (( segid "    " and resid 155  and name HB2 ))
      4.500     2.500     1.500 peak  2496 spectrum    1 weight  0.10000E+01 volume  0.62827E-02 ppm1      6.939 ppm2      1.414 CV     1
 OR { 2496}
   (( segid "    " and resid 123  and name HN  ))
   (( segid "    " and resid 155  and name HB1 ))
 ASSI { 2497}
   (( segid "    " and resid 145  and name HE22))
   (  segid "    " and resid 146  and name HG2%)
      4.000     2.000     2.000 peak  2497 spectrum    1 weight  0.10000E+01 volume  0.57897E-02 ppm1      6.939 ppm2      0.767 CV     1
 ASSI { 2498}
   (( segid "    " and resid 123  and name HN  ))
   (( segid "    " and resid 121  and name HB1 ))
      3.600     1.600     1.600 peak  2498 spectrum    1 weight  0.10000E+01 volume  0.69338E-03 ppm1      6.938 ppm2     -0.666 CV     1
 ASSI { 2500}
   (( segid "    " and resid 139  and name HN  ))
   (( segid "    " and resid 140  and name HN  ))
      2.700     0.900     0.900 peak  2500 spectrum    1 weight  0.10000E+01 volume  0.17644E-01 ppm1      7.539 ppm2      8.373 CV     1
 ASSI { 2501}
   (( segid "    " and resid 139  and name HN  ))
   (( segid "    " and resid 141  and name HN  ))
      4.700     2.800     1.300 peak  2501 spectrum    1 weight  0.10000E+01 volume  0.50705E-02 ppm1      7.540 ppm2      7.980 CV     1
 ASSI { 2502}
   (( segid "    " and resid 139  and name HN  ))
   (  segid "    " and resid 137  and name HD% )
      4.300     2.300     1.700 peak  2502 spectrum    1 weight  0.10000E+01 volume  0.62379E-02 ppm1      7.540 ppm2      7.345 CV     1
 ASSI { 2505}
   (( segid "    " and resid 139  and name HN  ))
   (( segid "    " and resid 138  and name HD2 ))
      2.900     1.100     1.100 peak  2505 spectrum    1 weight  0.10000E+01 volume  0.12866E-01 ppm1      7.539 ppm2      4.021 CV     1
 OR { 2505}
   (( segid "    " and resid 139  and name HN  ))
   (( segid "    " and resid 138  and name HD1 ))
 ASSI { 2506}
   (( segid "    " and resid 139  and name HN  ))
   (( segid "    " and resid 137  and name HB1 ))
      2.500     0.800     0.800 peak  2506 spectrum    1 weight  0.10000E+01 volume  0.19316E-01 ppm1      7.539 ppm2      3.261 CV     1
 ASSI { 2507}
   (( segid "    " and resid 139  and name HN  ))
   (( segid "    " and resid 139  and name HB2 ))
      2.800     1.000     1.000 peak  2507 spectrum    1 weight  0.10000E+01 volume  0.11779E-01 ppm1      7.539 ppm2      3.054 CV     1
 ASSI { 2508}
   (( segid "    " and resid 139  and name HN  ))
   (( segid "    " and resid 139  and name HB1 ))
      3.700     1.800     1.800 peak  2508 spectrum    1 weight  0.10000E+01 volume  0.15135E-01 ppm1      7.540 ppm2      2.615 CV     1
 ASSI { 2509}
   (( segid "    " and resid 139  and name HN  ))
   (( segid "    " and resid 138  and name HB1 ))
      3.900     1.900     1.900 peak  2509 spectrum    1 weight  0.10000E+01 volume  0.10558E-01 ppm1      7.542 ppm2      2.415 CV     1
 ASSI { 2510}
   (( segid "    " and resid 139  and name HN  ))
   (( segid "    " and resid 138  and name HG2 ))
      3.600     1.600     1.600 peak  2510 spectrum    1 weight  0.10000E+01 volume  0.12376E-01 ppm1      7.539 ppm2      1.997 CV     1
 OR { 2510}
   (( segid "    " and resid 139  and name HN  ))
   (( segid "    " and resid 138  and name HG1 ))
 ASSI { 2511}
   (( segid "    " and resid 139  and name HN  ))
   (( segid "    " and resid 138  and name HB2 ))
      2.500     0.800     0.800 peak  2511 spectrum    1 weight  0.10000E+01 volume  0.15888E-01 ppm1      7.539 ppm2      1.843 CV     1
 ASSI { 2513}
   (( segid "    " and resid 139  and name HN  ))
   (( segid "    " and resid 137  and name HN  ))
      5.300     3.500     0.700 peak  2513 spectrum    1 weight  0.10000E+01 volume  0.19406E-02 ppm1      7.538 ppm2      9.225 CV     1
 ASSI { 2515}
   (( segid "    " and resid 139  and name HN  ))
   (( segid "    " and resid 137  and name HA  ))
      4.100     2.100     1.900 peak  2515 spectrum    1 weight  0.10000E+01 volume  0.58037E-02 ppm1      7.538 ppm2      4.314 CV     1
 ASSI { 2516}
   (( segid "    " and resid 139  and name HN  ))
   (( segid "    " and resid 140  and name HA1 ))
      4.800     2.800     1.200 peak  2516 spectrum    1 weight  0.10000E+01 volume  0.50277E-02 ppm1      7.538 ppm2      3.514 CV     1
 ASSI { 2517}
   (( segid "    " and resid 139  and name HN  ))
   (( segid "    " and resid 137  and name HB2 ))
      3.500     1.500     1.500 peak  2517 spectrum    1 weight  0.10000E+01 volume  0.98095E-02 ppm1      7.538 ppm2      3.367 CV     1
 ASSI { 2525}
   (( segid "    " and resid 79   and name HE21))
   (( segid "    " and resid 79   and name HE22))
      1.500     0.300     0.700 peak  2525 spectrum    1 weight  0.10000E+01 volume  0.10581E+00 ppm1      7.800 ppm2      6.975 CV     1
 ASSI { 2527}
   (( segid "    " and resid 79   and name HE21))
   (( segid "    " and resid 76   and name HA  ))
      4.700     2.800     1.300 peak  2527 spectrum    1 weight  0.10000E+01 volume  0.70516E-03 ppm1      7.801 ppm2      3.585 CV     1
 ASSI { 2528}
   (( segid "    " and resid 79   and name HE21))
   (( segid "    " and resid 79   and name HG1 ))
      3.800     1.800     1.800 peak  2528 spectrum    1 weight  0.10000E+01 volume  0.50225E-02 ppm1      7.800 ppm2      2.582 CV     1
 ASSI { 2529}
   (( segid "    " and resid 79   and name HE21))
   (( segid "    " and resid 79   and name HB1 ))
      2.800     1.000     1.000 peak  2529 spectrum    1 weight  0.10000E+01 volume  0.53220E-02 ppm1      7.800 ppm2      2.291 CV     1
 ASSI { 2530}
   (( segid "    " and resid 79   and name HE21))
   (  segid "    " and resid 24   and name HB% )
      4.000     2.000     2.000 peak  2530 spectrum    1 weight  0.10000E+01 volume  0.33958E-02 ppm1      7.800 ppm2      1.567 CV     1
 ASSI { 2532}
   (( segid "    " and resid 79   and name HE21))
   (( segid "    " and resid 79   and name HA  ))
      6.000     4.500     0.000 peak  2532 spectrum    1 weight  0.10000E+01 volume  0.14543E-02 ppm1      7.795 ppm2      4.183 CV     1
 ASSI { 2533}
   (( segid "    " and resid 79   and name HE21))
   (( segid "    " and resid 76   and name HG12))
      6.000     4.500     0.000 peak  2533 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.794 ppm2      2.084 CV     1
 OR { 2533}
   (( segid "    " and resid 79   and name HE21))
   (( segid "    " and resid 76   and name HG11))
 ASSI { 2534}
   (( segid "    " and resid 79   and name HE21))
   (  segid "    " and resid 76   and name HG2%)
      3.700     1.700     1.700 peak  2534 spectrum    1 weight  0.10000E+01 volume  0.35942E-02 ppm1      7.799 ppm2      0.822 CV     1
 ASSI { 2537}
   (( segid "    " and resid 79   and name HE22))
   (( segid "    " and resid 76   and name HA  ))
      5.200     3.400     0.800 peak  2537 spectrum    1 weight  0.10000E+01 volume  0.68581E-03 ppm1      6.980 ppm2      3.588 CV     1
 ASSI { 2538}
   (( segid "    " and resid 79   and name HE22))
   (( segid "    " and resid 79   and name HB1 ))
      5.500     3.800     0.500 peak  2538 spectrum    1 weight  0.10000E+01 volume  0.22611E-02 ppm1      6.981 ppm2      2.281 CV     1
 ASSI { 2539}
   (( segid "    " and resid 79   and name HE22))
   (  segid "    " and resid 24   and name HB% )
      3.200     1.300     1.300 peak  2539 spectrum    1 weight  0.10000E+01 volume  0.52189E-02 ppm1      6.981 ppm2      1.565 CV     1
 ASSI { 2540}
   (( segid "    " and resid 79   and name HE22))
   (( segid "    " and resid 79   and name HG1 ))
      5.100     3.300     0.900 peak  2540 spectrum    1 weight  0.10000E+01 volume  0.18727E-02 ppm1      6.977 ppm2      2.575 CV     1
 ASSI { 2545}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 34   and name HN  ))
      2.500     0.800     0.800 peak  2545 spectrum    1 weight  0.10000E+01 volume  0.18065E-01 ppm1      7.319 ppm2      9.172 CV     1
 ASSI { 2547}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 59   and name HN  ))
      2.800     1.000     1.000 peak  2547 spectrum    1 weight  0.10000E+01 volume  0.11027E-01 ppm1      7.321 ppm2      8.529 CV     1
 ASSI { 2548}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 36   and name HN  ))
      4.100     2.100     1.900 peak  2548 spectrum    1 weight  0.10000E+01 volume  0.64435E-02 ppm1      7.318 ppm2      8.322 CV     1
 ASSI { 2550}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 58   and name HA  ))
      4.300     2.400     1.700 peak  2550 spectrum    1 weight  0.10000E+01 volume  0.36008E-02 ppm1      7.318 ppm2      5.017 CV     1
 ASSI { 2551}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 60   and name HA  ))
      3.900     1.900     1.900 peak  2551 spectrum    1 weight  0.10000E+01 volume  0.11631E-01 ppm1      7.322 ppm2      4.798 CV     1
 ASSI { 2552}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 35   and name HA  ))
      2.600     0.800     0.800 peak  2552 spectrum    1 weight  0.10000E+01 volume  0.20733E-01 ppm1      7.319 ppm2      4.617 CV     1
 ASSI { 2553}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 35   and name HB  ))
      3.800     1.900     1.900 peak  2553 spectrum    1 weight  0.10000E+01 volume  0.61868E-02 ppm1      7.319 ppm2      4.113 CV     1
 ASSI { 2556}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 34   and name HB2 ))
      3.200     1.300     1.300 peak  2556 spectrum    1 weight  0.10000E+01 volume  0.16867E-01 ppm1      7.320 ppm2      1.659 CV     1
 ASSI { 2557}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 34   and name HB1 ))
      2.000     0.500     0.500 peak  2557 spectrum    1 weight  0.10000E+01 volume  0.36309E-01 ppm1      7.319 ppm2      1.543 CV     1
 ASSI { 2559}
   (( segid "    " and resid 35   and name HN  ))
   (  segid "    " and resid 58   and name HG1%)
      3.900     1.900     1.900 peak  2559 spectrum    1 weight  0.10000E+01 volume  0.85629E-02 ppm1      7.320 ppm2      0.993 CV     1
 OR { 2559}
   (( segid "    " and resid 35   and name HN  ))
   (  segid "    " and resid 58   and name HG2%)
 ASSI { 2568}
   (( segid "    " and resid 120  and name HN  ))
   (( segid "    " and resid 124  and name HB2 ))
      5.700     4.000     0.300 peak  2568 spectrum    1 weight  0.10000E+01 volume  0.70302E-03 ppm1      7.429 ppm2      2.174 CV     1
 OR { 2568}
   (( segid "    " and resid 120  and name HN  ))
   (( segid "    " and resid 124  and name HB1 ))
 ASSI { 2575}
   (( segid "    " and resid 120  and name HN  ))
   (( segid "    " and resid 119  and name HB2 ))
      4.100     2.100     1.900 peak  2575 spectrum    1 weight  0.10000E+01 volume  0.26925E-02 ppm1      7.422 ppm2      1.685 CV     1
 ASSI { 2577}
   (( segid "    " and resid 120  and name HN  ))
   (( segid "    " and resid 125  and name HG  ))
      4.900     3.000     1.100 peak  2577 spectrum    1 weight  0.10000E+01 volume  0.79218E-03 ppm1      7.423 ppm2      0.330 CV     1
 ASSI { 2580}
   (( segid "    " and resid 120  and name HN  ))
   (( segid "    " and resid 120  and name HA  ))
      2.700     0.900     0.900 peak  2580 spectrum    1 weight  0.10000E+01 volume  0.11553E-01 ppm1      7.419 ppm2      5.017 CV     1
 ASSI { 2581}
   (( segid "    " and resid 120  and name HN  ))
   (( segid "    " and resid 119  and name HA  ))
      2.900     1.000     1.000 peak  2581 spectrum    1 weight  0.10000E+01 volume  0.70417E-02 ppm1      7.418 ppm2      3.808 CV     1
 ASSI { 2583}
   (( segid "    " and resid 120  and name HN  ))
   (( segid "    " and resid 120  and name HB1 ))
      3.500     1.600     1.600 peak  2583 spectrum    1 weight  0.10000E+01 volume  0.12600E-01 ppm1      7.418 ppm2      2.511 CV     1
 ASSI { 2585}
   (( segid "    " and resid 120  and name HN  ))
   (( segid "    " and resid 119  and name HG2 ))
      3.400     1.400     1.400 peak  2585 spectrum    1 weight  0.10000E+01 volume  0.10536E-01 ppm1      7.418 ppm2      1.314 CV     1
 ASSI { 2588}
   (( segid "    " and resid 120  and name HN  ))
   (( segid "    " and resid 119  and name HG1 ))
      4.200     2.200     1.800 peak  2588 spectrum    1 weight  0.10000E+01 volume  0.19156E-02 ppm1      7.415 ppm2      0.528 CV     1
 ASSI { 2589}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 30   and name HN  ))
      2.700     0.900     0.900 peak  2589 spectrum    1 weight  0.10000E+01 volume  0.25709E-01 ppm1      7.268 ppm2      8.936 CV     1
 ASSI { 2592}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 31   and name HA  ))
      2.500     0.800     0.800 peak  2592 spectrum    1 weight  0.10000E+01 volume  0.18559E-01 ppm1      7.269 ppm2      5.934 CV     1
 ASSI { 2593}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 32   and name HA  ))
      5.500     3.800     0.500 peak  2593 spectrum    1 weight  0.10000E+01 volume  0.52922E-03 ppm1      7.268 ppm2      4.917 CV     1
 ASSI { 2595}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 29   and name HA  ))
      3.500     1.500     1.500 peak  2595 spectrum    1 weight  0.10000E+01 volume  0.15717E-01 ppm1      7.270 ppm2      4.339 CV     1
 ASSI { 2596}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 30   and name HA  ))
      2.700     0.900     0.900 peak  2596 spectrum    1 weight  0.10000E+01 volume  0.25453E-01 ppm1      7.269 ppm2      3.914 CV     1
 ASSI { 2597}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 31   and name HB2 ))
      2.400     0.700     0.700 peak  2597 spectrum    1 weight  0.10000E+01 volume  0.30557E-01 ppm1      7.269 ppm2      3.596 CV     1
 OR { 2597}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 31   and name HB1 ))
 ASSI { 2598}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 32   and name HB2 ))
      4.900     3.000     1.100 peak  2598 spectrum    1 weight  0.10000E+01 volume  0.63096E-03 ppm1      7.267 ppm2      3.337 CV     1
 ASSI { 2600}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 30   and name HG1 ))
      3.400     1.400     1.400 peak  2600 spectrum    1 weight  0.10000E+01 volume  0.14382E-01 ppm1      7.270 ppm2      2.138 CV     1
 ASSI { 2601}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 30   and name HB1 ))
      3.600     1.600     1.600 peak  2601 spectrum    1 weight  0.10000E+01 volume  0.68774E-02 ppm1      7.267 ppm2      2.023 CV     1
 ASSI { 2609}
   (( segid "    " and resid 31   and name HN  ))
   (  segid "    " and resid 28   and name HG2%)
      3.600     3.600     2.400 peak  2609 spectrum    1 weight  0.10000E+01 volume  0.83099E-02 ppm1      7.269 ppm2      0.641 CV     1
 ASSI { 2611}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 62   and name HA  ))
      4.600     2.700     1.400 peak  2611 spectrum    1 weight  0.10000E+01 volume  0.29736E-02 ppm1      7.262 ppm2      5.515 CV     1
 ASSI { 2615}
   (( segid "    " and resid 19   and name HD21))
   (( segid "    " and resid 15   and name HG  ))
      3.000     1.200     1.200 peak  2615 spectrum    1 weight  0.10000E+01 volume  0.87462E-02 ppm1      7.396 ppm2      1.500 CV     1
 ASSI { 2617}
   (( segid "    " and resid 19   and name HD21))
   (( segid "    " and resid 19   and name HD22))
      1.800     0.400     0.400 peak  2617 spectrum    1 weight  0.10000E+01 volume  0.28086E-01 ppm1      7.394 ppm2      6.778 CV     1
 ASSI { 2618}
   (( segid "    " and resid 19   and name HD21))
   (( segid "    " and resid 19   and name HA  ))
      6.000     4.700     0.000 peak  2618 spectrum    1 weight  0.10000E+01 volume  0.55430E-03 ppm1      7.393 ppm2      4.582 CV     1
 ASSI { 2619}
   (( segid "    " and resid 19   and name HD21))
   (( segid "    " and resid 16   and name HA  ))
      2.700     0.900     0.900 peak  2619 spectrum    1 weight  0.10000E+01 volume  0.41975E-02 ppm1      7.393 ppm2      4.100 CV     1
 ASSI { 2620}
   (( segid "    " and resid 19   and name HD21))
   (( segid "    " and resid 19   and name HB2 ))
      2.600     0.800     0.800 peak  2620 spectrum    1 weight  0.10000E+01 volume  0.62754E-02 ppm1      7.395 ppm2      2.849 CV     1
 ASSI { 2621}
   (( segid "    " and resid 19   and name HD21))
   (( segid "    " and resid 19   and name HB1 ))
      3.800     1.800     1.800 peak  2621 spectrum    1 weight  0.10000E+01 volume  0.61329E-02 ppm1      7.395 ppm2      2.685 CV     1
 ASSI { 2626}
   (( segid "    " and resid 19   and name HD22))
   (( segid "    " and resid 19   and name HA  ))
      5.500     3.800     0.500 peak  2626 spectrum    1 weight  0.10000E+01 volume  0.97780E-03 ppm1      6.781 ppm2      4.581 CV     1
 ASSI { 2627}
   (( segid "    " and resid 19   and name HD22))
   (( segid "    " and resid 16   and name HA  ))
      4.900     3.000     1.100 peak  2627 spectrum    1 weight  0.10000E+01 volume  0.32803E-02 ppm1      6.777 ppm2      4.103 CV     1
 ASSI { 2628}
   (( segid "    " and resid 19   and name HD22))
   (( segid "    " and resid 19   and name HB2 ))
      4.000     2.000     2.000 peak  2628 spectrum    1 weight  0.10000E+01 volume  0.65199E-02 ppm1      6.776 ppm2      2.851 CV     1
 ASSI { 2629}
   (( segid "    " and resid 19   and name HD22))
   (( segid "    " and resid 19   and name HB1 ))
      4.200     2.200     1.800 peak  2629 spectrum    1 weight  0.10000E+01 volume  0.87442E-02 ppm1      6.774 ppm2      2.688 CV     1
 ASSI { 2630}
   (( segid "    " and resid 19   and name HD22))
   (( segid "    " and resid 15   and name HG  ))
      2.500     0.800     0.800 peak  2630 spectrum    1 weight  0.10000E+01 volume  0.86102E-02 ppm1      6.774 ppm2      1.497 CV     1
 ASSI { 2632}
   (( segid "    " and resid 17   and name HE21))
   (( segid "    " and resid 17   and name HE22))
      2.200     0.600     0.600 peak  2632 spectrum    1 weight  0.10000E+01 volume  0.12359E-01 ppm1      7.710 ppm2      6.851 CV     1
 ASSI { 2636}
   (( segid "    " and resid 17   and name HE22))
   (( segid "    " and resid 17   and name HA  ))
      4.300     2.300     1.700 peak  2636 spectrum    1 weight  0.10000E+01 volume  0.21880E-02 ppm1      6.855 ppm2      3.987 CV     1
 ASSI { 2637}
   (( segid "    " and resid 17   and name HE22))
   (( segid "    " and resid 9    and name HB2 ))
      6.000     5.100     0.000 peak  2637 spectrum    1 weight  0.10000E+01 volume  0.45585E-03 ppm1      6.854 ppm2      3.880 CV     1
 ASSI { 2638}
   (( segid "    " and resid 17   and name HE22))
   (( segid "    " and resid 17   and name HG2 ))
      4.100     2.100     1.900 peak  2638 spectrum    1 weight  0.10000E+01 volume  0.76433E-02 ppm1      6.856 ppm2      2.627 CV     1
 OR { 2638}
   (( segid "    " and resid 17   and name HE22))
   (( segid "    " and resid 17   and name HG1 ))
 ASSI { 2640}
   (( segid "    " and resid 74   and name HE21))
   (( segid "    " and resid 74   and name HE22))
      2.200     0.600     0.600 peak  2640 spectrum    1 weight  0.10000E+01 volume  0.10834E-01 ppm1      8.219 ppm2      7.092 CV     1
 ASSI { 2641}
   (( segid "    " and resid 74   and name HE21))
   (( segid "    " and resid 95   and name HA  ))
      6.000     6.000     0.000 peak  2641 spectrum    1 weight  0.10000E+01 volume  0.31667E-03 ppm1      8.218 ppm2      5.165 CV     1
 ASSI { 2644}
   (( segid "    " and resid 17   and name HE21))
   (( segid "    " and resid 17   and name HG2 ))
      2.800     1.000     1.000 peak  2644 spectrum    1 weight  0.10000E+01 volume  0.58961E-02 ppm1      7.712 ppm2      2.623 CV     1
 OR { 2644}
   (( segid "    " and resid 17   and name HE21))
   (( segid "    " and resid 17   and name HG1 ))
 ASSI { 2645}
   (( segid "    " and resid 17   and name HE21))
   (  segid "    " and resid 12   and name HB% )
      3.000     1.100     1.100 peak  2645 spectrum    1 weight  0.10000E+01 volume  0.11553E-01 ppm1      7.712 ppm2      1.233 CV     1
 ASSI { 2649}
   (( segid "    " and resid 74   and name HE22))
   (( segid "    " and resid 74   and name HA  ))
      6.000     5.500     0.000 peak  2649 spectrum    1 weight  0.10000E+01 volume  0.16150E-03 ppm1      7.099 ppm2      4.254 CV     1
 ASSI { 2651}
   (( segid "    " and resid 74   and name HE22))
   (( segid "    " and resid 95   and name HA  ))
      4.900     3.000     1.100 peak  2651 spectrum    1 weight  0.10000E+01 volume  0.10305E-02 ppm1      7.091 ppm2      5.189 CV     1
 ASSI { 2653}
   (( segid "    " and resid 74   and name HE22))
   (( segid "    " and resid 74   and name HG2 ))
      5.200     3.400     0.800 peak  2653 spectrum    1 weight  0.10000E+01 volume  0.12770E-02 ppm1      7.090 ppm2      2.958 CV     1
 ASSI { 2654}
   (( segid "    " and resid 74   and name HE22))
   (( segid "    " and resid 74   and name HG1 ))
      6.000     5.500     0.000 peak  2654 spectrum    1 weight  0.10000E+01 volume  0.55649E-03 ppm1      7.093 ppm2      2.431 CV     1
 ASSI { 2658}
   (( segid "    " and resid 17   and name HE22))
   (( segid "    " and resid 17   and name HB1 ))
      6.000     6.000     0.000 peak  2658 spectrum    1 weight  0.10000E+01 volume  0.17380E-03 ppm1      6.855 ppm2      2.135 CV     1
 OR { 2658}
   (( segid "    " and resid 17   and name HE22))
   (( segid "    " and resid 17   and name HB2 ))
 ASSI { 2665}
   (( segid "    " and resid 140  and name HN  ))
   (( segid "    " and resid 137  and name HN  ))
      4.100     2.100     1.900 peak  2665 spectrum    1 weight  0.10000E+01 volume  0.30389E-02 ppm1      8.376 ppm2      9.228 CV     1
 ASSI { 2669}
   (( segid "    " and resid 140  and name HN  ))
   (  segid "    " and resid 137  and name HD% )
      5.400     3.600     0.600 peak  2669 spectrum    1 weight  0.10000E+01 volume  0.18294E-02 ppm1      8.377 ppm2      7.341 CV     1
 ASSI { 2670}
   (( segid "    " and resid 140  and name HN  ))
   (( segid "    " and resid 140  and name HA2 ))
      2.500     0.800     0.800 peak  2670 spectrum    1 weight  0.10000E+01 volume  0.33071E-01 ppm1      8.375 ppm2      4.405 CV     1
 ASSI { 2672}
   (( segid "    " and resid 140  and name HN  ))
   (( segid "    " and resid 138  and name HD2 ))
      5.300     3.400     0.700 peak  2672 spectrum    1 weight  0.10000E+01 volume  0.10061E-02 ppm1      8.375 ppm2      4.021 CV     1
 ASSI { 2673}
   (( segid "    " and resid 140  and name HN  ))
   (( segid "    " and resid 140  and name HA1 ))
      2.600     0.900     0.900 peak  2673 spectrum    1 weight  0.10000E+01 volume  0.29411E-01 ppm1      8.375 ppm2      3.526 CV     1
 ASSI { 2675}
   (( segid "    " and resid 140  and name HN  ))
   (( segid "    " and resid 139  and name HB2 ))
      3.100     1.200     1.200 peak  2675 spectrum    1 weight  0.10000E+01 volume  0.42572E-02 ppm1      8.375 ppm2      3.053 CV     1
 ASSI { 2676}
   (( segid "    " and resid 140  and name HN  ))
   (( segid "    " and resid 139  and name HB1 ))
      4.500     2.500     1.500 peak  2676 spectrum    1 weight  0.10000E+01 volume  0.39366E-02 ppm1      8.375 ppm2      2.620 CV     1
 ASSI { 2677}
   (( segid "    " and resid 140  and name HN  ))
   (( segid "    " and resid 141  and name HG2 ))
      6.000     6.000     0.000 peak  2677 spectrum    1 weight  0.10000E+01 volume  0.10528E-02 ppm1      8.372 ppm2      2.292 CV     1
 ASSI { 2679}
   (( segid "    " and resid 140  and name HN  ))
   (( segid "    " and resid 141  and name HB2 ))
      4.100     2.100     1.900 peak  2679 spectrum    1 weight  0.10000E+01 volume  0.47728E-02 ppm1      8.376 ppm2      1.860 CV     1
 ASSI { 2681}
   (( segid "    " and resid 140  and name HN  ))
   (  segid "    " and resid 136  and name HG2%)
      3.000     1.200     1.200 peak  2681 spectrum    1 weight  0.10000E+01 volume  0.16654E-01 ppm1      8.374 ppm2      1.025 CV     1
 OR { 2681}
   (( segid "    " and resid 140  and name HN  ))
   (  segid "    " and resid 136  and name HG1%)
 ASSI { 2685}
   (( segid "    " and resid 10   and name HD21))
   (( segid "    " and resid 10   and name HB2 ))
      6.000     4.500     0.000 peak  2685 spectrum    1 weight  0.10000E+01 volume  0.14843E-03 ppm1      6.865 ppm2      2.372 CV     1
 ASSI { 2686}
   (( segid "    " and resid 10   and name HD22))
   (( segid "    " and resid 10   and name HD21))
      2.800     1.000     1.000 peak  2686 spectrum    1 weight  0.10000E+01 volume  0.88202E-03 ppm1      6.478 ppm2      6.851 CV     1
 ASSI { 2689}
   (( segid "    " and resid 10   and name HD21))
   (( segid "    " and resid 10   and name HA  ))
      6.000     6.000     0.000 peak  2689 spectrum    1 weight  0.10000E+01 volume  0.17140E-03 ppm1      6.871 ppm2      4.688 CV     1
 ASSI { 2696}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 13   and name HB2 ))
      3.800     1.800     1.800 peak  2696 spectrum    1 weight  0.10000E+01 volume  0.59422E-02 ppm1      8.706 ppm2      4.428 CV     1
 ASSI { 2697}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 13   and name HA  ))
      2.300     0.700     0.700 peak  2697 spectrum    1 weight  0.10000E+01 volume  0.22795E-01 ppm1      8.705 ppm2      4.084 CV     1
 ASSI { 2698}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 12   and name HA  ))
      2.900     1.000     1.000 peak  2698 spectrum    1 weight  0.10000E+01 volume  0.15246E-01 ppm1      8.706 ppm2      3.876 CV     1
 ASSI { 2699}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 14   and name HD2 ))
      4.400     2.500     1.600 peak  2699 spectrum    1 weight  0.10000E+01 volume  0.81567E-02 ppm1      8.706 ppm2      3.710 CV     1
 ASSI { 2703}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 14   and name HG1 ))
      6.000     5.600     0.000 peak  2703 spectrum    1 weight  0.10000E+01 volume  0.47993E-03 ppm1      8.702 ppm2      1.440 CV     1
 ASSI { 2704}
   (( segid "    " and resid 13   and name HN  ))
   (  segid "    " and resid 12   and name HB% )
      4.000     2.000     2.000 peak  2704 spectrum    1 weight  0.10000E+01 volume  0.95458E-02 ppm1      8.706 ppm2      1.237 CV     1
 ASSI { 2711}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 80   and name HB2 ))
      4.700     2.800     1.300 peak  2711 spectrum    1 weight  0.10000E+01 volume  0.27679E-02 ppm1      7.933 ppm2      2.866 CV     1
 ASSI { 2714}
   (( segid "    " and resid 80   and name HE21))
   (( segid "    " and resid 80   and name HE22))
      2.000     0.500     0.500 peak  2714 spectrum    1 weight  0.10000E+01 volume  0.10547E-01 ppm1      7.884 ppm2      7.446 CV     1
 ASSI { 2717}
   (( segid "    " and resid 80   and name HE21))
   (  segid "    " and resid 20   and name HB% )
      3.600     1.600     1.600 peak  2717 spectrum    1 weight  0.10000E+01 volume  0.62707E-02 ppm1      7.887 ppm2      1.468 CV     1
 ASSI { 2718}
   (( segid "    " and resid 80   and name HE21))
   (  segid "    " and resid 76   and name HG2%)
      4.000     2.000     2.000 peak  2718 spectrum    1 weight  0.10000E+01 volume  0.45882E-02 ppm1      7.886 ppm2      0.833 CV     1
 ASSI { 2719}
   (( segid "    " and resid 80   and name HE22))
   (( segid "    " and resid 21   and name HN  ))
      4.900     3.000     1.100 peak  2719 spectrum    1 weight  0.10000E+01 volume  0.11593E-02 ppm1      7.457 ppm2      8.478 CV     1
 ASSI { 2722}
   (( segid "    " and resid 80   and name HE22))
   (( segid "    " and resid 80   and name HA  ))
      5.300     3.500     0.700 peak  2722 spectrum    1 weight  0.10000E+01 volume  0.59949E-03 ppm1      7.453 ppm2      4.534 CV     1
 ASSI { 2724}
   (( segid "    " and resid 80   and name HE22))
   (( segid "    " and resid 17   and name HA  ))
      3.200     1.300     1.300 peak  2724 spectrum    1 weight  0.10000E+01 volume  0.65435E-02 ppm1      7.453 ppm2      3.987 CV     1
 ASSI { 2727}
   (( segid "    " and resid 80   and name HE22))
   (( segid "    " and resid 16   and name HB1 ))
      2.700     2.700     3.300 peak  2727 spectrum    1 weight  0.10000E+01 volume  0.11906E-01 ppm1      7.454 ppm2      2.208 CV     1
 ASSI { 2729}
   (( segid "    " and resid 80   and name HE22))
   (  segid "    " and resid 20   and name HB% )
      2.400     2.400     3.600 peak  2729 spectrum    1 weight  0.10000E+01 volume  0.16574E-01 ppm1      7.453 ppm2      1.474 CV     1
 ASSI { 2732}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 80   and name HA  ))
      3.300     1.300     1.300 peak  2732 spectrum    1 weight  0.10000E+01 volume  0.77039E-02 ppm1      7.930 ppm2      4.532 CV     1
 ASSI { 2733}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 81   and name HA2 ))
      2.400     0.700     0.700 peak  2733 spectrum    1 weight  0.10000E+01 volume  0.32272E-01 ppm1      7.930 ppm2      4.134 CV     1
 ASSI { 2734}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 81   and name HA1 ))
      3.000     1.200     1.200 peak  2734 spectrum    1 weight  0.10000E+01 volume  0.25673E-01 ppm1      7.929 ppm2      3.827 CV     1
 ASSI { 2736}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 79   and name HN  ))
      4.000     2.000     2.000 peak  2736 spectrum    1 weight  0.10000E+01 volume  0.25580E-02 ppm1      7.928 ppm2      8.763 CV     1
 ASSI { 2740}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 80   and name HG2 ))
      4.800     2.900     1.200 peak  2740 spectrum    1 weight  0.10000E+01 volume  0.41923E-02 ppm1      7.928 ppm2      2.510 CV     1
 ASSI { 2748}
   (( segid "    " and resid 131  and name HN  ))
   (( segid "    " and resid 128  and name HN  ))
      5.300     3.400     0.700 peak  2748 spectrum    1 weight  0.10000E+01 volume  0.16160E-02 ppm1      6.932 ppm2      6.574 CV     1
 ASSI { 2749}
   (( segid "    " and resid 131  and name HN  ))
   (( segid "    " and resid 131  and name HA  ))
      2.900     1.100     1.100 peak  2749 spectrum    1 weight  0.10000E+01 volume  0.97834E-02 ppm1      6.933 ppm2      4.498 CV     1
 ASSI { 2750}
   (( segid "    " and resid 131  and name HN  ))
   (( segid "    " and resid 37   and name HA  ))
      6.000     5.800     0.000 peak  2750 spectrum    1 weight  0.10000E+01 volume  0.16978E-03 ppm1      6.935 ppm2      4.260 CV     1
 ASSI { 2751}
   (( segid "    " and resid 131  and name HN  ))
   (( segid "    " and resid 37   and name HB1 ))
      4.300     2.300     1.700 peak  2751 spectrum    1 weight  0.10000E+01 volume  0.90904E-03 ppm1      6.934 ppm2      4.096 CV     1
 ASSI { 2752}
   (( segid "    " and resid 131  and name HN  ))
   (( segid "    " and resid 128  and name HA  ))
      3.200     1.300     1.300 peak  2752 spectrum    1 weight  0.10000E+01 volume  0.95575E-02 ppm1      6.933 ppm2      3.857 CV     1
 ASSI { 2753}
   (( segid "    " and resid 131  and name HN  ))
   (( segid "    " and resid 130  and name HB2 ))
      4.200     2.200     1.800 peak  2753 spectrum    1 weight  0.10000E+01 volume  0.52239E-02 ppm1      6.932 ppm2      2.287 CV     1
 ASSI { 2755}
   (( segid "    " and resid 131  and name HN  ))
   (( segid "    " and resid 131  and name HB  ))
      3.600     1.600     1.600 peak  2755 spectrum    1 weight  0.10000E+01 volume  0.89117E-02 ppm1      6.933 ppm2      2.149 CV     1
 ASSI { 2756}
   (( segid "    " and resid 131  and name HN  ))
   (( segid "    " and resid 131  and name HG12))
      2.200     0.600     0.600 peak  2756 spectrum    1 weight  0.10000E+01 volume  0.13232E-01 ppm1      6.933 ppm2      1.657 CV     1
 OR { 2756}
   (( segid "    " and resid 131  and name HN  ))
   (( segid "    " and resid 131  and name HG11))
 ASSI { 2757}
   (( segid "    " and resid 131  and name HN  ))
   (( segid "    " and resid 133  and name HB1 ))
      3.300     3.300     2.700 peak  2757 spectrum    1 weight  0.10000E+01 volume  0.13905E-01 ppm1      6.934 ppm2      1.477 CV     1
 ASSI { 2759}
   (( segid "    " and resid 131  and name HN  ))
   (  segid "    " and resid 132  and name HB% )
      4.400     2.400     1.600 peak  2759 spectrum    1 weight  0.10000E+01 volume  0.57034E-02 ppm1      6.932 ppm2      1.005 CV     1
 ASSI { 2760}
   (( segid "    " and resid 131  and name HN  ))
   (  segid "    " and resid 131  and name HG2%)
      2.400     0.700     0.700 peak  2760 spectrum    1 weight  0.10000E+01 volume  0.22942E-01 ppm1      6.934 ppm2      0.851 CV     1
 ASSI { 2762}
   (( segid "    " and resid 131  and name HN  ))
   (( segid "    " and resid 128  and name HG  ))
      4.900     3.000     1.100 peak  2762 spectrum    1 weight  0.10000E+01 volume  0.30653E-02 ppm1      6.935 ppm2      0.309 CV     1
 ASSI { 2763}
   (( segid "    " and resid 131  and name HN  ))
   (( segid "    " and resid 129  and name HN  ))
      5.700     4.000     0.300 peak  2763 spectrum    1 weight  0.10000E+01 volume  0.48586E-03 ppm1      6.928 ppm2      8.650 CV     1
 ASSI { 2764}
   (( segid "    " and resid 131  and name HN  ))
   (( segid "    " and resid 132  and name HA  ))
      5.700     4.000     0.300 peak  2764 spectrum    1 weight  0.10000E+01 volume  0.10230E-02 ppm1      6.931 ppm2      4.770 CV     1
 ASSI { 2765}
   (( segid "    " and resid 131  and name HN  ))
   (( segid "    " and resid 133  and name HD2 ))
      6.000     4.500     0.000 peak  2765 spectrum    1 weight  0.10000E+01 volume  0.10842E-02 ppm1      6.929 ppm2      3.128 CV     1
 ASSI { 2766}
   (( segid "    " and resid 131  and name HN  ))
   (( segid "    " and resid 130  and name HB1 ))
      2.900     1.000     1.000 peak  2766 spectrum    1 weight  0.10000E+01 volume  0.47021E-02 ppm1      6.932 ppm2      2.643 CV     1
 ASSI { 2770}
   (( segid "    " and resid 90   and name HN  ))
   (( segid "    " and resid 87   and name HG2 ))
      4.600     2.600     1.400 peak  2770 spectrum    1 weight  0.10000E+01 volume  0.25621E-02 ppm1      7.892 ppm2      2.333 CV     1
 OR { 2770}
   (( segid "    " and resid 90   and name HN  ))
   (( segid "    " and resid 87   and name HG1 ))
 ASSI { 2772}
   (( segid "    " and resid 90   and name HN  ))
   (( segid "    " and resid 88   and name HA  ))
      2.400     2.400     3.600 peak  2772 spectrum    1 weight  0.10000E+01 volume  0.44593E-02 ppm1      7.884 ppm2      4.073 CV     1
 ASSI { 2773}
   (( segid "    " and resid 90   and name HN  ))
   (( segid "    " and resid 90   and name HA1 ))
      2.200     0.600     0.600 peak  2773 spectrum    1 weight  0.10000E+01 volume  0.13785E-01 ppm1      7.887 ppm2      3.918 CV     1
 ASSI { 2775}
   (( segid "    " and resid 90   and name HN  ))
   (( segid "    " and resid 47   and name HG1 ))
      3.200     1.300     1.300 peak  2775 spectrum    1 weight  0.10000E+01 volume  0.39969E-02 ppm1      7.885 ppm2      2.004 CV     1
 ASSI { 2777}
   (( segid "    " and resid 90   and name HN  ))
   (( segid "    " and resid 91   and name HD1 ))
      4.300     2.400     1.700 peak  2777 spectrum    1 weight  0.10000E+01 volume  0.56263E-02 ppm1      7.890 ppm2      3.512 CV     1
 ASSI { 2778}
   (( segid "    " and resid 90   and name HN  ))
   (( segid "    " and resid 89   and name HN  ))
      2.500     0.800     0.800 peak  2778 spectrum    1 weight  0.10000E+01 volume  0.47030E-02 ppm1      7.884 ppm2      9.345 CV     1
 ASSI { 2779}
   (( segid "    " and resid 90   and name HN  ))
   (( segid "    " and resid 89   and name HE3 ))
      3.400     3.400     2.600 peak  2779 spectrum    1 weight  0.10000E+01 volume  0.48885E-03 ppm1      7.884 ppm2      7.600 CV     1
 ASSI { 2784}
   (( segid "    " and resid 90   and name HN  ))
   (( segid "    " and resid 90   and name HA2 ))
      2.700     0.900     0.900 peak  2784 spectrum    1 weight  0.10000E+01 volume  0.12173E-01 ppm1      7.886 ppm2      4.327 CV     1
 ASSI { 2786}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 26   and name HA2 ))
      2.800     1.000     1.000 peak  2786 spectrum    1 weight  0.10000E+01 volume  0.22416E-01 ppm1      7.504 ppm2      3.973 CV     1
 ASSI { 2787}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 27   and name HB1 ))
      5.200     3.400     0.800 peak  2787 spectrum    1 weight  0.10000E+01 volume  0.25559E-02 ppm1      7.503 ppm2      2.587 CV     1
 ASSI { 2791}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 24   and name HN  ))
      4.600     2.600     1.400 peak  2791 spectrum    1 weight  0.10000E+01 volume  0.10621E-02 ppm1      7.504 ppm2      7.925 CV     1
 ASSI { 2795}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 28   and name HN  ))
      4.700     2.700     1.300 peak  2795 spectrum    1 weight  0.10000E+01 volume  0.29405E-02 ppm1      7.503 ppm2      7.157 CV     1
 ASSI { 2798}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 26   and name HA1 ))
      2.100     0.500     0.500 peak  2798 spectrum    1 weight  0.10000E+01 volume  0.54118E-01 ppm1      7.503 ppm2      3.886 CV     1
 ASSI { 2799}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 25   and name HB2 ))
      2.700     0.900     0.900 peak  2799 spectrum    1 weight  0.10000E+01 volume  0.96232E-02 ppm1      7.502 ppm2      2.123 CV     1
 ASSI { 2801}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 23   and name HD2 ))
      6.000     5.300     0.000 peak  2801 spectrum    1 weight  0.10000E+01 volume  0.16870E-03 ppm1      7.503 ppm2      1.738 CV     1
 ASSI { 2803}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 25   and name HB1 ))
      3.700     1.700     1.700 peak  2803 spectrum    1 weight  0.10000E+01 volume  0.71241E-02 ppm1      7.503 ppm2      1.187 CV     1
 ASSI { 2804}
   (( segid "    " and resid 26   and name HN  ))
   (  segid "    " and resid 25   and name HD1%)
      3.600     1.600     1.600 peak  2804 spectrum    1 weight  0.10000E+01 volume  0.24992E-01 ppm1      7.502 ppm2      0.870 CV     1
 OR { 2804}
   (( segid "    " and resid 26   and name HN  ))
   (  segid "    " and resid 25   and name HD2%)
 ASSI { 2808}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 14   and name HB1 ))
      4.300     2.400     1.700 peak  2808 spectrum    1 weight  0.10000E+01 volume  0.30823E-02 ppm1      8.173 ppm2      1.875 CV     1
 ASSI { 2809}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 26   and name HN  ))
      2.500     0.800     0.800 peak  2809 spectrum    1 weight  0.10000E+01 volume  0.14836E-01 ppm1      9.347 ppm2      7.491 CV     1
 ASSI { 2814}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 14   and name HA  ))
      3.600     1.600     1.600 peak  2814 spectrum    1 weight  0.10000E+01 volume  0.12831E-01 ppm1      8.557 ppm2      4.329 CV     1
 ASSI { 2815}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 82   and name HA  ))
      2.900     1.100     1.100 peak  2815 spectrum    1 weight  0.10000E+01 volume  0.63430E-02 ppm1      8.211 ppm2      4.378 CV     1
 ASSI { 2816}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 40   and name HB1 ))
      4.500     2.500     1.500 peak  2816 spectrum    1 weight  0.10000E+01 volume  0.39228E-02 ppm1      9.403 ppm2      2.712 CV     1
 ASSI { 2817}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 55   and name HB2 ))
      3.400     1.400     1.400 peak  2817 spectrum    1 weight  0.10000E+01 volume  0.59642E-02 ppm1      9.399 ppm2      3.348 CV     1
 ASSI {    1}
   (( segid "    " and resid 37   and name HB2 ))
   (( segid "    " and resid 37   and name HA  ))
      6.000     4.500     0.000 peak     1 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.143 ppm2      4.260 CV     1
 ASSI {    2}
   (( segid "    " and resid 37   and name HB2 ))
   (( segid "    " and resid 37   and name HN  ))
      6.000     4.500     0.000 peak     2 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.132 ppm2      9.142 CV     1
 ASSI {    3}
   (( segid "    " and resid 37   and name HB2 ))
   (  segid "    " and resid 40   and name HD% )
      6.000     4.500     0.000 peak     3 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.134 ppm2      7.043 CV     1
 ASSI {    4}
   (( segid "    " and resid 37   and name HB2 ))
   (( segid "    " and resid 37   and name HB1 ))
      6.000     4.500     0.000 peak     4 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.135 ppm2      4.080 CV     1
 ASSI {    7}
   (( segid "    " and resid 37   and name HB2 ))
   (  segid "    " and resid 131  and name HG2%)
      6.000     4.500     0.000 peak     7 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.122 ppm2      0.858 CV     1
 ASSI {   17}
   (( segid "    " and resid 112  and name HA  ))
   (( segid "    " and resid 107  and name HA  ))
      6.000     4.500     0.000 peak    17 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.254 ppm2      5.523 CV     1
 ASSI {   19}
   (( segid "    " and resid 112  and name HA  ))
   (( segid "    " and resid 112  and name HB  ))
      6.000     4.500     0.000 peak    19 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.249 ppm2      4.370 CV     1
 ASSI {   20}
   (( segid "    " and resid 112  and name HA  ))
   (( segid "    " and resid 113  and name HB  ))
      6.000     4.500     0.000 peak    20 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.249 ppm2      1.881 CV     1
 ASSI {   21}
   (( segid "    " and resid 112  and name HA  ))
   (  segid "    " and resid 112  and name HG2%)
      6.000     4.500     0.000 peak    21 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.248 ppm2      1.460 CV     1
 ASSI {   25}
   (( segid "    " and resid 114  and name HA  ))
   (( segid "    " and resid 114  and name HG2 ))
      6.000     4.500     0.000 peak    25 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.471 ppm2      2.465 CV     1
 ASSI {   29}
   (( segid "    " and resid 114  and name HA  ))
   (( segid "    " and resid 114  and name HD2 ))
      6.000     4.500     0.000 peak    29 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.469 ppm2      3.676 CV     1
 ASSI {   30}
   (( segid "    " and resid 114  and name HA  ))
   (( segid "    " and resid 114  and name HB2 ))
      6.000     4.500     0.000 peak    30 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.471 ppm2      2.879 CV     1
 ASSI {   31}
   (( segid "    " and resid 114  and name HA  ))
   (( segid "    " and resid 114  and name HB1 ))
      6.000     4.500     0.000 peak    31 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.469 ppm2      2.102 CV     1
 ASSI {   33}
   (( segid "    " and resid 114  and name HA  ))
   (  segid "    " and resid 113  and name HG1%)
      6.000     4.500     0.000 peak    33 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.472 ppm2      0.884 CV     1
 ASSI {   40}
   (( segid "    " and resid 62   and name HA  ))
   (( segid "    " and resid 31   and name HA  ))
      6.000     4.500     0.000 peak    40 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.529 ppm2      5.918 CV     1
 ASSI {   42}
   (( segid "    " and resid 62   and name HA  ))
   (( segid "    " and resid 62   and name HB  ))
      6.000     4.500     0.000 peak    42 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.530 ppm2      3.834 CV     1
 ASSI {   43}
   (( segid "    " and resid 62   and name HA  ))
   (( segid "    " and resid 31   and name HB1 ))
      6.000     4.500     0.000 peak    43 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.527 ppm2      3.616 CV     1
 OR {   43}
   (( segid "    " and resid 62   and name HA  ))
   (( segid "    " and resid 31   and name HB2 ))
 ASSI {   45}
   (( segid "    " and resid 62   and name HA  ))
   (( segid "    " and resid 60   and name HG  ))
      6.000     4.500     0.000 peak    45 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.530 ppm2      1.293 CV     1
 ASSI {   46}
   (( segid "    " and resid 62   and name HA  ))
   (  segid "    " and resid 62   and name HG2%)
      6.000     4.500     0.000 peak    46 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.529 ppm2      1.109 CV     1
 ASSI {   49}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 44   and name HD1 ))
      6.000     4.500     0.000 peak    49 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.122 ppm2      3.844 CV     1
 ASSI {   51}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 44   and name HD2 ))
      6.000     4.500     0.000 peak    51 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.112 ppm2      4.112 CV     1
 ASSI {   52}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 43   and name HB2 ))
      6.000     4.500     0.000 peak    52 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.114 ppm2      2.443 CV     1
 ASSI {   53}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 50   and name HB1 ))
      6.000     4.500     0.000 peak    53 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.116 ppm2      1.999 CV     1
 OR {   53}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 50   and name HB2 ))
 ASSI {   58}
   (( segid "    " and resid 58   and name HA  ))
   (  segid "    " and resid 58   and name HG1%)
      6.000     4.500     0.000 peak    58 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.026 ppm2      1.002 CV     1
 OR {   58}
   (( segid "    " and resid 58   and name HA  ))
   (  segid "    " and resid 58   and name HG2%)
 ASSI {   60}
   (( segid "    " and resid 58   and name HA  ))
   (( segid "    " and resid 58   and name HB  ))
      6.000     4.500     0.000 peak    60 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.035 ppm2      1.999 CV     1
 ASSI {   61}
   (( segid "    " and resid 58   and name HA  ))
   (  segid "    " and resid 131  and name HG2%)
      6.000     4.500     0.000 peak    61 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.029 ppm2      0.852 CV     1
 ASSI {   63}
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 40   and name HB1 ))
      6.000     4.500     0.000 peak    63 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.262 ppm2      2.716 CV     1
 ASSI {   64}
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 40   and name HN  ))
      6.000     4.500     0.000 peak    64 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.265 ppm2      9.114 CV     1
 ASSI {   66}
   (( segid "    " and resid 40   and name HA  ))
   (  segid "    " and resid 40   and name HD% )
      6.000     4.500     0.000 peak    66 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.262 ppm2      7.046 CV     1
 ASSI {   67}
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 157  and name HA  ))
      6.000     4.500     0.000 peak    67 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.266 ppm2      4.484 CV     1
 ASSI {   78}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 63   and name HB2 ))
      6.000     4.500     0.000 peak    78 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.005 ppm2      4.064 CV     1
 OR {   78}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 63   and name HB1 ))
 ASSI {   87}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 62   and name HB  ))
      6.000     4.500     0.000 peak    87 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.959 ppm2      3.838 CV     1
 ASSI {   88}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 31   and name HB1 ))
      6.000     4.500     0.000 peak    88 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.956 ppm2      3.609 CV     1
 OR {   88}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 31   and name HB2 ))
 ASSI {   90}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 60   and name HG  ))
      6.000     4.500     0.000 peak    90 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.955 ppm2      1.298 CV     1
 ASSI {   91}
   (( segid "    " and resid 31   and name HA  ))
   (  segid "    " and resid 62   and name HG2%)
      6.000     4.500     0.000 peak    91 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.958 ppm2      1.113 CV     1
 ASSI {   97}
   (( segid "    " and resid 4    and name HA  ))
   (( segid "    " and resid 58   and name HN  ))
      6.000     4.500     0.000 peak    97 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.578 ppm2      9.099 CV     1
 ASSI {   98}
   (( segid "    " and resid 4    and name HA  ))
   (  segid "    " and resid 4    and name HD% )
      6.000     4.500     0.000 peak    98 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.574 ppm2      6.837 CV     1
 ASSI {  102}
   (( segid "    " and resid 4    and name HA  ))
   (  segid "    " and resid 59   and name HB% )
      6.000     4.500     0.000 peak   102 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.575 ppm2      1.241 CV     1
 ASSI {  104}
   (( segid "    " and resid 4    and name HA  ))
   (( segid "    " and resid 128  and name HG  ))
      6.000     4.500     0.000 peak   104 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.580 ppm2      0.308 CV     1
 ASSI {  105}
   (( segid "    " and resid 4    and name HA  ))
   (  segid "    " and resid 2    and name HG1%)
      6.000     4.500     0.000 peak   105 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.575 ppm2      0.125 CV     1
 ASSI {  106}
   (( segid "    " and resid 4    and name HA  ))
   (( segid "    " and resid 4    and name HB2 ))
      6.000     4.500     0.000 peak   106 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.570 ppm2      2.728 CV     1
 ASSI {  108}
   (( segid "    " and resid 4    and name HA  ))
   (  segid "    " and resid 58   and name HG2%)
      6.000     4.500     0.000 peak   108 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.571 ppm2      1.006 CV     1
 OR {  108}
   (( segid "    " and resid 4    and name HA  ))
   (  segid "    " and resid 58   and name HG1%)
 ASSI {  109}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 43   and name HG1 ))
      6.000     4.500     0.000 peak   109 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.169 ppm2      2.188 CV     1
 OR {  109}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 43   and name HG2 ))
 ASSI {  111}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 42   and name HB  ))
      6.000     4.500     0.000 peak   111 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.165 ppm2      4.385 CV     1
 ASSI {  112}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 43   and name HD1 ))
      6.000     4.500     0.000 peak   112 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.164 ppm2      3.834 CV     1
 OR {  112}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 43   and name HD2 ))
 ASSI {  114}
   (( segid "    " and resid 54   and name HA  ))
   (( segid "    " and resid 158  and name HE3 ))
      6.000     4.500     0.000 peak   114 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.495 ppm2      7.425 CV     1
 ASSI {  116}
   (( segid "    " and resid 54   and name HA  ))
   (( segid "    " and resid 41   and name HA  ))
      6.000     4.500     0.000 peak   116 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.496 ppm2      6.090 CV     1
 ASSI {  120}
   (( segid "    " and resid 54   and name HA  ))
   (( segid "    " and resid 54   and name HB2 ))
      6.000     4.500     0.000 peak   120 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.487 ppm2      0.968 CV     1
 ASSI {  121}
   (( segid "    " and resid 54   and name HA  ))
   (( segid "    " and resid 54   and name HB1 ))
      6.000     4.500     0.000 peak   121 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.487 ppm2      0.369 CV     1
 ASSI {  122}
   (( segid "    " and resid 54   and name HA  ))
   (( segid "    " and resid 54   and name HG  ))
      6.000     4.500     0.000 peak   122 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.484 ppm2      0.233 CV     1
 ASSI {  123}
   (( segid "    " and resid 54   and name HA  ))
   (  segid "    " and resid 54   and name HD2%)
      6.000     4.500     0.000 peak   123 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.488 ppm2     -0.630 CV     1
 OR {  123}
   (( segid "    " and resid 54   and name HA  ))
   (  segid "    " and resid 54   and name HD1%)
 ASSI {  125}
   (( segid "    " and resid 41   and name HA  ))
   (( segid "    " and resid 158  and name HE3 ))
      6.000     4.500     0.000 peak   125 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.095 ppm2      7.408 CV     1
 ASSI {  129}
   (( segid "    " and resid 41   and name HA  ))
   (( segid "    " and resid 158  and name HA  ))
      6.000     4.500     0.000 peak   129 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.104 ppm2      3.979 CV     1
 ASSI {  130}
   (( segid "    " and resid 41   and name HA  ))
   (( segid "    " and resid 41   and name HD2 ))
      6.000     4.500     0.000 peak   130 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.099 ppm2      3.181 CV     1
 ASSI {  132}
   (( segid "    " and resid 41   and name HA  ))
   (( segid "    " and resid 41   and name HB2 ))
      6.000     4.500     0.000 peak   132 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.096 ppm2      1.747 CV     1
 OR {  132}
   (( segid "    " and resid 41   and name HA  ))
   (( segid "    " and resid 41   and name HB1 ))
 ASSI {  133}
   (( segid "    " and resid 41   and name HA  ))
   (( segid "    " and resid 41   and name HG2 ))
      6.000     4.500     0.000 peak   133 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.098 ppm2      1.611 CV     1
 ASSI {  134}
   (( segid "    " and resid 41   and name HA  ))
   (( segid "    " and resid 41   and name HG1 ))
      6.000     4.500     0.000 peak   134 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.099 ppm2      1.294 CV     1
 ASSI {  136}
   (( segid "    " and resid 41   and name HA  ))
   (  segid "    " and resid 42   and name HG2%)
      6.000     4.500     0.000 peak   136 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.087 ppm2      1.460 CV     1
 ASSI {  139}
   (( segid "    " and resid 39   and name HA  ))
   (  segid "    " and resid 39   and name HD% )
      6.000     4.500     0.000 peak   139 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.253 ppm2      6.949 CV     1
 ASSI {  140}
   (( segid "    " and resid 39   and name HA  ))
   (( segid "    " and resid 39   and name HB2 ))
      6.000     4.500     0.000 peak   140 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.249 ppm2      3.361 CV     1
 ASSI {  141}
   (( segid "    " and resid 39   and name HA  ))
   (  segid "    " and resid 56   and name HB% )
      6.000     4.500     0.000 peak   141 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.254 ppm2      1.420 CV     1
 ASSI {  148}
   (( segid "    " and resid 55   and name HA  ))
   (( segid "    " and resid 8    and name HA2 ))
      6.000     4.500     0.000 peak   148 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.224 ppm2      5.752 CV     1
 ASSI {  149}
   (( segid "    " and resid 55   and name HA  ))
   (( segid "    " and resid 8    and name HA1 ))
      6.000     4.500     0.000 peak   149 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.226 ppm2      4.160 CV     1
 ASSI {  150}
   (( segid "    " and resid 55   and name HA  ))
   (( segid "    " and resid 55   and name HB2 ))
      6.000     4.500     0.000 peak   150 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.227 ppm2      3.367 CV     1
 ASSI {  151}
   (( segid "    " and resid 55   and name HA  ))
   (( segid "    " and resid 55   and name HB1 ))
      6.000     4.500     0.000 peak   151 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.230 ppm2      2.230 CV     1
 ASSI {  153}
   (( segid "    " and resid 55   and name HA  ))
   (( segid "    " and resid 54   and name HG  ))
      6.000     4.500     0.000 peak   153 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.228 ppm2      0.234 CV     1
 ASSI {  160}
   (( segid "    " and resid 107  and name HA  ))
   (( segid "    " and resid 106  and name HA  ))
      6.000     4.500     0.000 peak   160 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.530 ppm2      4.326 CV     1
 ASSI {  162}
   (( segid "    " and resid 107  and name HA  ))
   (  segid "    " and resid 112  and name HG2%)
      6.000     4.500     0.000 peak   162 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.524 ppm2      1.463 CV     1
 ASSI {  163}
   (( segid "    " and resid 107  and name HA  ))
   (  segid "    " and resid 108  and name HG2%)
      6.000     4.500     0.000 peak   163 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.522 ppm2      1.224 CV     1
 ASSI {  164}
   (( segid "    " and resid 107  and name HA  ))
   (  segid "    " and resid 106  and name HG2%)
      6.000     4.500     0.000 peak   164 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.523 ppm2      0.941 CV     1
 ASSI {  168}
   (( segid "    " and resid 39   and name HA  ))
   (( segid "    " and resid 54   and name HG  ))
      6.000     4.500     0.000 peak   168 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.249 ppm2      0.247 CV     1
 ASSI {  171}
   (( segid "    " and resid 96   and name HA  ))
   (( segid "    " and resid 96   and name HB1 ))
      6.000     4.500     0.000 peak   171 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.380 ppm2      0.971 CV     1
 ASSI {  172}
   (( segid "    " and resid 96   and name HA  ))
   (( segid "    " and resid 96   and name HB2 ))
      6.000     4.500     0.000 peak   172 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.375 ppm2      2.149 CV     1
 ASSI {  178}
   (( segid "    " and resid 97   and name HA  ))
   (( segid "    " and resid 98   and name HB  ))
      6.000     4.500     0.000 peak   178 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.543 ppm2      2.138 CV     1
 ASSI {  181}
   (( segid "    " and resid 97   and name HA  ))
   (( segid "    " and resid 97   and name HB2 ))
      6.000     4.500     0.000 peak   181 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.565 ppm2      2.531 CV     1
 ASSI {  187}
   (( segid "    " and resid 97   and name HA  ))
   (( segid "    " and resid 97   and name HB1 ))
      6.000     4.500     0.000 peak   187 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.543 ppm2      2.362 CV     1
 ASSI {  188}
   (( segid "    " and resid 103  and name HA  ))
   (( segid "    " and resid 138  and name HB2 ))
      6.000     4.500     0.000 peak   188 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.185 ppm2      1.821 CV     1
 ASSI {  192}
   (( segid "    " and resid 103  and name HA  ))
   (( segid "    " and resid 103  and name HN  ))
      6.000     4.500     0.000 peak   192 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.189 ppm2      9.260 CV     1
 ASSI {  195}
   (( segid "    " and resid 103  and name HA  ))
   (( segid "    " and resid 138  and name HD1 ))
      6.000     4.500     0.000 peak   195 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.189 ppm2      4.028 CV     1
 OR {  195}
   (( segid "    " and resid 103  and name HA  ))
   (( segid "    " and resid 138  and name HD2 ))
 ASSI {  196}
   (( segid "    " and resid 103  and name HA  ))
   (( segid "    " and resid 103  and name HB1 ))
      6.000     4.500     0.000 peak   196 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.187 ppm2      2.674 CV     1
 ASSI {  198}
   (( segid "    " and resid 103  and name HA  ))
   (( segid "    " and resid 138  and name HG1 ))
      6.000     4.500     0.000 peak   198 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.190 ppm2      1.994 CV     1
 OR {  198}
   (( segid "    " and resid 103  and name HA  ))
   (( segid "    " and resid 138  and name HG2 ))
 ASSI {  199}
   (( segid "    " and resid 103  and name HA  ))
   (( segid "    " and resid 103  and name HB2 ))
      6.000     4.500     0.000 peak   199 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.180 ppm2      3.006 CV     1
 ASSI {  202}
   (( segid "    " and resid 117  and name HA  ))
   (( segid "    " and resid 117  and name HB2 ))
      6.000     4.500     0.000 peak   202 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.085 ppm2      1.532 CV     1
 ASSI {  203}
   (( segid "    " and resid 117  and name HA  ))
   (( segid "    " and resid 117  and name HB1 ))
      6.000     4.500     0.000 peak   203 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.086 ppm2      0.877 CV     1
 ASSI {  205}
   (( segid "    " and resid 6    and name HA  ))
   (( segid "    " and resid 57   and name HA  ))
      6.000     4.500     0.000 peak   205 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.053 ppm2      5.658 CV     1
 ASSI {  207}
   (( segid "    " and resid 6    and name HA  ))
   (  segid "    " and resid 6    and name HB% )
      6.000     4.500     0.000 peak   207 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.046 ppm2      1.781 CV     1
 ASSI {  208}
   (( segid "    " and resid 6    and name HA  ))
   (  segid "    " and resid 57   and name HB% )
      6.000     4.500     0.000 peak   208 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.038 ppm2      1.377 CV     1
 ASSI {  215}
   (( segid "    " and resid 57   and name HA  ))
   (  segid "    " and resid 57   and name HB% )
      6.000     4.500     0.000 peak   215 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.679 ppm2      1.364 CV     1
 ASSI {  216}
   (( segid "    " and resid 57   and name HA  ))
   (  segid "    " and resid 58   and name HG1%)
      6.000     4.500     0.000 peak   216 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.682 ppm2      1.003 CV     1
 OR {  216}
   (( segid "    " and resid 57   and name HA  ))
   (  segid "    " and resid 58   and name HG2%)
 ASSI {  218}
   (( segid "    " and resid 57   and name HA  ))
   (  segid "    " and resid 6    and name HB% )
      6.000     4.500     0.000 peak   218 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.675 ppm2      1.789 CV     1
 ASSI {  220}
   (( segid "    " and resid 57   and name HA  ))
   (  segid "    " and resid 7    and name HD1%)
      6.000     4.500     0.000 peak   220 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.671 ppm2      0.701 CV     1
 ASSI {  222}
   (( segid "    " and resid 8    and name HA2 ))
   (( segid "    " and resid 95   and name HN  ))
      6.000     4.500     0.000 peak   222 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.757 ppm2      9.226 CV     1
 ASSI {  228}
   (( segid "    " and resid 8    and name HA2 ))
   (( segid "    " and resid 8    and name HA1 ))
      6.000     4.500     0.000 peak   228 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.758 ppm2      4.167 CV     1
 ASSI {  240}
   (( segid "    " and resid 112  and name HB  ))
   (( segid "    " and resid 116  and name HN  ))
      6.000     4.500     0.000 peak   240 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.376 ppm2      8.420 CV     1
 ASSI {  246}
   (( segid "    " and resid 35   and name HB  ))
   (( segid "    " and resid 59   and name HN  ))
      6.000     4.500     0.000 peak   246 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.121 ppm2      8.537 CV     1
 ASSI {  251}
   (( segid "    " and resid 149  and name HB  ))
   (( segid "    " and resid 145  and name HE21))
      6.000     4.500     0.000 peak   251 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.196 ppm2      7.580 CV     1
 ASSI {  252}
   (( segid "    " and resid 1    and name HB  ))
   (( segid "    " and resid 2    and name HN  ))
      6.000     4.500     0.000 peak   252 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.557 ppm2      8.764 CV     1
 ASSI {  258}
   (( segid "    " and resid 93   and name HB  ))
   (( segid "    " and resid 17   and name HE22))
      6.000     4.500     0.000 peak   258 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.126 ppm2      6.850 CV     1
 ASSI {  260}
   (( segid "    " and resid 93   and name HB  ))
   (( segid "    " and resid 93   and name HN  ))
      6.000     4.500     0.000 peak   260 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.112 ppm2      8.753 CV     1
 ASSI {  266}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 23   and name HN  ))
      6.000     4.500     0.000 peak   266 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.432 ppm2      7.423 CV     1
 ASSI {  271}
   (( segid "    " and resid 73   and name HB  ))
   (( segid "    " and resid 77   and name HN  ))
      6.000     4.500     0.000 peak   271 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.959 ppm2      8.043 CV     1
 ASSI {  280}
   (( segid "    " and resid 66   and name HA  ))
   (  segid "    " and resid 101  and name HD% )
      6.000     4.500     0.000 peak   280 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.354 ppm2      7.034 CV     1
 ASSI {  281}
   (( segid "    " and resid 127  and name HA  ))
   (( segid "    " and resid 126  and name HD1 ))
      6.000     4.500     0.000 peak   281 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.547 ppm2      6.728 CV     1
 ASSI {  282}
   (( segid "    " and resid 138  and name HA  ))
   (( segid "    " and resid 139  and name HN  ))
      6.000     4.500     0.000 peak   282 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.507 ppm2      7.536 CV     1
 ASSI {  283}
   (( segid "    " and resid 37   and name HB1 ))
   (  segid "    " and resid 40   and name HD% )
      6.000     4.500     0.000 peak   283 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.094 ppm2      7.039 CV     1
 ASSI {  288}
   (( segid "    " and resid 9    and name HB2 ))
   (( segid "    " and resid 9    and name HN  ))
      6.000     4.500     0.000 peak   288 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.882 ppm2      7.978 CV     1
 ASSI {  294}
   (( segid "    " and resid 138  and name HA  ))
   (( segid "    " and resid 140  and name HN  ))
      6.000     4.500     0.000 peak   294 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.500 ppm2      8.374 CV     1
 ASSI {  297}
   (( segid "    " and resid 146  and name HA  ))
   (( segid "    " and resid 145  and name HE21))
      6.000     4.500     0.000 peak   297 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.649 ppm2      7.584 CV     1
 ASSI {  298}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 18   and name HN  ))
      6.000     4.500     0.000 peak   298 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.318 ppm2      8.724 CV     1
 ASSI {  300}
   (( segid "    " and resid 146  and name HA  ))
   (( segid "    " and resid 147  and name HN  ))
      6.000     4.500     0.000 peak   300 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.658 ppm2      7.439 CV     1
 ASSI {  306}
   (( segid "    " and resid 149  and name HA  ))
   (( segid "    " and resid 150  and name HN  ))
      6.000     4.500     0.000 peak   306 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.023 ppm2      7.850 CV     1
 ASSI {  308}
   (( segid "    " and resid 133  and name HA  ))
   (  segid "    " and resid 129  and name HD% )
      6.000     4.500     0.000 peak   308 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.119 ppm2      7.207 CV     1
 ASSI {  312}
   (( segid "    " and resid 63   and name HB2 ))
   (( segid "    " and resid 62   and name HA  ))
      6.000     4.500     0.000 peak   312 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.098 ppm2      5.519 CV     1
 OR {  312}
   (( segid "    " and resid 63   and name HB1 ))
   (( segid "    " and resid 62   and name HA  ))
 ASSI {  320}
   (( segid "    " and resid 93   and name HA  ))
   (( segid "    " and resid 10   and name HN  ))
      6.000     4.500     0.000 peak   320 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.016 ppm2      8.476 CV     1
 ASSI {  322}
   (( segid "    " and resid 93   and name HA  ))
   (( segid "    " and resid 94   and name HN  ))
      6.000     4.500     0.000 peak   322 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.019 ppm2      6.375 CV     1
 ASSI {  327}
   (( segid "    " and resid 44   and name HA  ))
   (( segid "    " and resid 50   and name HE22))
      6.000     4.500     0.000 peak   327 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.215 ppm2      7.107 CV     1
 ASSI {  328}
   (( segid "    " and resid 44   and name HA  ))
   (  segid "    " and resid 53   and name HD% )
      6.000     4.500     0.000 peak   328 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.208 ppm2      6.568 CV     1
 ASSI {  331}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 34   and name HN  ))
      6.000     4.500     0.000 peak   331 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.897 ppm2      9.181 CV     1
 ASSI {  332}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 61   and name HN  ))
      6.000     4.500     0.000 peak   332 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.901 ppm2      8.807 CV     1
 ASSI {  333}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 35   and name HN  ))
      6.000     4.500     0.000 peak   333 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.898 ppm2      7.338 CV     1
 ASSI {  336}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 52   and name HN  ))
      6.000     4.500     0.000 peak   336 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.452 ppm2      8.043 CV     1
 ASSI {  342}
   (( segid "    " and resid 158  and name HA  ))
   (( segid "    " and resid 158  and name HE3 ))
      6.000     4.500     0.000 peak   342 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.970 ppm2      7.401 CV     1
 ASSI {  343}
   (( segid "    " and resid 38   and name HB2 ))
   (( segid "    " and resid 38   and name HN  ))
      6.000     4.500     0.000 peak   343 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.741 ppm2      9.334 CV     1
 ASSI {  351}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 73   and name HN  ))
      6.000     4.500     0.000 peak   351 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.398 ppm2      9.338 CV     1
 ASSI {  352}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 72   and name HN  ))
      6.000     4.500     0.000 peak   352 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.398 ppm2      7.754 CV     1
 ASSI {  353}
   (( segid "    " and resid 83   and name HA  ))
   (( segid "    " and resid 84   and name HN  ))
      6.000     4.500     0.000 peak   353 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.276 ppm2      8.811 CV     1
 ASSI {  354}
   (( segid "    " and resid 83   and name HA  ))
   (( segid "    " and resid 83   and name HN  ))
      6.000     4.500     0.000 peak   354 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.273 ppm2      8.230 CV     1
 ASSI {  356}
   (( segid "    " and resid 13   and name HB1 ))
   (( segid "    " and resid 13   and name HN  ))
      6.000     4.500     0.000 peak   356 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.156 ppm2      8.710 CV     1
 ASSI {  357}
   (( segid "    " and resid 13   and name HB1 ))
   (( segid "    " and resid 16   and name HN  ))
      6.000     4.500     0.000 peak   357 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.158 ppm2      7.275 CV     1
 ASSI {  367}
   (( segid "    " and resid 106  and name HA  ))
   (( segid "    " and resid 106  and name HN  ))
      6.000     4.500     0.000 peak   367 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.317 ppm2      9.394 CV     1
 ASSI {  372}
   (( segid "    " and resid 116  and name HA  ))
   (  segid "    " and resid 116  and name HD% )
      6.000     4.500     0.000 peak   372 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.198 ppm2      6.657 CV     1
 ASSI {  373}
   (( segid "    " and resid 118  and name HA  ))
   (( segid "    " and resid 119  and name HN  ))
      6.000     4.500     0.000 peak   373 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.868 ppm2      8.103 CV     1
 ASSI {  375}
   (( segid "    " and resid 118  and name HA  ))
   (( segid "    " and resid 118  and name HN  ))
      6.000     4.500     0.000 peak   375 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.868 ppm2      7.558 CV     1
 ASSI {  377}
   (( segid "    " and resid 129  and name HA  ))
   (( segid "    " and resid 129  and name HN  ))
      6.000     4.500     0.000 peak   377 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.859 ppm2      8.669 CV     1
 ASSI {  379}
   (( segid "    " and resid 129  and name HA  ))
   (  segid "    " and resid 129  and name HD% )
      6.000     4.500     0.000 peak   379 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.862 ppm2      7.201 CV     1
 ASSI {  380}
   (( segid "    " and resid 118  and name HA  ))
   (( segid "    " and resid 121  and name HN  ))
      6.000     4.500     0.000 peak   380 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.863 ppm2      7.015 CV     1
 ASSI {  381}
   (( segid "    " and resid 129  and name HA  ))
   (( segid "    " and resid 130  and name HN  ))
      6.000     4.500     0.000 peak   381 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.851 ppm2      7.754 CV     1
 ASSI {  382}
   (( segid "    " and resid 38   and name HA  ))
   (( segid "    " and resid 39   and name HN  ))
      6.000     4.500     0.000 peak   382 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.282 ppm2      8.670 CV     1
 ASSI {  387}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 75   and name HN  ))
      6.000     4.500     0.000 peak   387 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.143 ppm2      7.718 CV     1
 ASSI {  389}
   (( segid "    " and resid 109  and name HA  ))
   (( segid "    " and resid 111  and name HN  ))
      6.000     4.500     0.000 peak   389 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.039 ppm2      7.650 CV     1
 ASSI {  390}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 24   and name HN  ))
      6.000     4.500     0.000 peak   390 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.027 ppm2      7.943 CV     1
 ASSI {  392}
   (( segid "    " and resid 67   and name HA  ))
   (( segid "    " and resid 67   and name HN  ))
      6.000     4.500     0.000 peak   392 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.657 ppm2      8.726 CV     1
 ASSI {  393}
   (( segid "    " and resid 67   and name HA  ))
   (( segid "    " and resid 69   and name HN  ))
      6.000     4.500     0.000 peak   393 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.652 ppm2      8.214 CV     1
 ASSI {  394}
   (( segid "    " and resid 67   and name HA  ))
   (( segid "    " and resid 68   and name HN  ))
      6.000     4.500     0.000 peak   394 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.657 ppm2      6.886 CV     1
 ASSI {  398}
   (( segid "    " and resid 144  and name HA  ))
   (  segid "    " and resid 129  and name HD% )
      6.000     4.500     0.000 peak   398 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.527 ppm2      7.207 CV     1
 ASSI {  401}
   (( segid "    " and resid 113  and name HA  ))
   (( segid "    " and resid 114  and name HA  ))
      6.000     4.500     0.000 peak   401 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.327 ppm2      5.479 CV     1
 ASSI {  402}
   (( segid "    " and resid 37   and name HA  ))
   (( segid "    " and resid 57   and name HN  ))
      6.000     4.500     0.000 peak   402 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.280 ppm2      9.514 CV     1
 ASSI {  411}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 23   and name HN  ))
      6.000     4.500     0.000 peak   411 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.012 ppm2      7.428 CV     1
 ASSI {  412}
   (( segid "    " and resid 119  and name HA  ))
   (( segid "    " and resid 121  and name HN  ))
      6.000     4.500     0.000 peak   412 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.806 ppm2      6.994 CV     1
 ASSI {  420}
   (( segid "    " and resid 130  and name HA  ))
   (( segid "    " and resid 130  and name HN  ))
      6.000     4.500     0.000 peak   420 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.893 ppm2      7.751 CV     1
 ASSI {  421}
   (( segid "    " and resid 130  and name HA  ))
   (( segid "    " and resid 131  and name HN  ))
      6.000     4.500     0.000 peak   421 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.899 ppm2      6.938 CV     1
 ASSI {  422}
   (( segid "    " and resid 130  and name HA  ))
   (  segid "    " and resid 129  and name HD% )
      6.000     4.500     0.000 peak   422 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.888 ppm2      7.200 CV     1
 ASSI {  425}
   (( segid "    " and resid 148  and name HA  ))
   (( segid "    " and resid 148  and name HD2 ))
      6.000     4.500     0.000 peak   425 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.432 ppm2      6.998 CV     1
 ASSI {  426}
   (( segid "    " and resid 137  and name HA  ))
   (  segid "    " and resid 137  and name HD% )
      6.000     4.500     0.000 peak   426 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.313 ppm2      7.334 CV     1
 ASSI {  429}
   (( segid "    " and resid 69   and name HA  ))
   (( segid "    " and resid 72   and name HD2 ))
      6.000     4.500     0.000 peak   429 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.201 ppm2      7.237 CV     1
 ASSI {  431}
   (( segid "    " and resid 123  and name HA  ))
   (( segid "    " and resid 125  and name HN  ))
      6.000     4.500     0.000 peak   431 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.370 ppm2      7.606 CV     1
 ASSI {  437}
   (( segid "    " and resid 79   and name HA  ))
   (( segid "    " and resid 80   and name HN  ))
      6.000     4.500     0.000 peak   437 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.194 ppm2      7.650 CV     1
 ASSI {  438}
   (( segid "    " and resid 78   and name HA  ))
   (( segid "    " and resid 78   and name HN  ))
      6.000     4.500     0.000 peak   438 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.187 ppm2      7.971 CV     1
 ASSI {  441}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 10   and name HN  ))
      6.000     4.500     0.000 peak   441 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.155 ppm2      8.471 CV     1
 ASSI {  442}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 11   and name HN  ))
      6.000     4.500     0.000 peak   442 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.161 ppm2      6.993 CV     1
 ASSI {  444}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 25   and name HN  ))
      6.000     4.500     0.000 peak   444 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.974 ppm2      9.338 CV     1
 ASSI {  448}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 54   and name HN  ))
      6.000     4.500     0.000 peak   448 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.350 ppm2      8.567 CV     1
 ASSI {  449}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 71   and name HD21))
      6.000     4.500     0.000 peak   449 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.350 ppm2      7.449 CV     1
 ASSI {  450}
   (( segid "    " and resid 53   and name HA  ))
   (  segid "    " and resid 53   and name HD% )
      6.000     4.500     0.000 peak   450 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.357 ppm2      6.540 CV     1
 ASSI {  458}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 17   and name HE21))
      6.000     4.500     0.000 peak   458 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.999 ppm2      7.717 CV     1
 ASSI {  461}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 80   and name HE21))
      6.000     4.500     0.000 peak   461 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.994 ppm2      7.892 CV     1
 ASSI {  463}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 18   and name HN  ))
      6.000     4.500     0.000 peak   463 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.427 ppm2      8.727 CV     1
 ASSI {  466}
   (( segid "    " and resid 101  and name HA  ))
   (( segid "    " and resid 102  and name HN  ))
      6.000     4.500     0.000 peak   466 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.561 ppm2      8.410 CV     1
 ASSI {  471}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 16   and name HN  ))
      6.000     4.500     0.000 peak   471 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.990 ppm2      7.265 CV     1
 ASSI {  472}
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 25   and name HN  ))
      6.000     4.500     0.000 peak   472 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.897 ppm2      9.339 CV     1
 ASSI {  473}
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 26   and name HN  ))
      6.000     4.500     0.000 peak   473 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.899 ppm2      7.490 CV     1
 ASSI {  476}
   (( segid "    " and resid 125  and name HA  ))
   (( segid "    " and resid 125  and name HN  ))
      6.000     4.500     0.000 peak   476 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.814 ppm2      7.608 CV     1
 ASSI {  477}
   (( segid "    " and resid 147  and name HA  ))
   (( segid "    " and resid 148  and name HN  ))
      6.000     4.500     0.000 peak   477 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.671 ppm2      7.571 CV     1
 ASSI {  479}
   (( segid "    " and resid 147  and name HA  ))
   (( segid "    " and resid 147  and name HN  ))
      6.000     4.500     0.000 peak   479 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.664 ppm2      7.434 CV     1
 ASSI {  481}
   (( segid "    " and resid 147  and name HA  ))
   (  segid "    " and resid 152  and name HD% )
      6.000     4.500     0.000 peak   481 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.667 ppm2      7.050 CV     1
 ASSI {  483}
   (( segid "    " and resid 141  and name HA  ))
   (( segid "    " and resid 141  and name HN  ))
      6.000     4.500     0.000 peak   483 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.296 ppm2      8.002 CV     1
 ASSI {  502}
   (( segid "    " and resid 157  and name HA  ))
   (  segid "    " and resid 40   and name HD% )
      6.000     4.500     0.000 peak   502 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.498 ppm2      7.052 CV     1
 ASSI {  510}
   (( segid "    " and resid 87   and name HA  ))
   (( segid "    " and resid 87   and name HN  ))
      6.000     4.500     0.000 peak   510 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.195 ppm2      8.360 CV     1
 ASSI {  512}
   (( segid "    " and resid 154  and name HA  ))
   (( segid "    " and resid 126  and name HD1 ))
      6.000     4.500     0.000 peak   512 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.980 ppm2      6.732 CV     1
 ASSI {  516}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 71   and name HD21))
      6.000     4.500     0.000 peak   516 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.331 ppm2      7.449 CV     1
 ASSI {  520}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 48   and name HE22))
      6.000     4.500     0.000 peak   520 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.319 ppm2      7.043 CV     1
 ASSI {  525}
   (( segid "    " and resid 150  and name HA  ))
   (( segid "    " and resid 150  and name HN  ))
      6.000     4.500     0.000 peak   525 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.030 ppm2      7.840 CV     1
 ASSI {  526}
   (( segid "    " and resid 150  and name HA  ))
   (( segid "    " and resid 151  and name HN  ))
      6.000     4.500     0.000 peak   526 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.029 ppm2      7.522 CV     1
 ASSI {  527}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 25   and name HN  ))
      6.000     4.500     0.000 peak   527 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.211 ppm2      9.348 CV     1
 ASSI {  528}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 24   and name HN  ))
      6.000     4.500     0.000 peak   528 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.211 ppm2      7.925 CV     1
 ASSI {  530}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 20   and name HN  ))
      6.000     4.500     0.000 peak   530 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.161 ppm2      8.143 CV     1
 ASSI {  534}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 25   and name HN  ))
      6.000     4.500     0.000 peak   534 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.125 ppm2      9.340 CV     1
 ASSI {  535}
   (( segid "    " and resid 153  and name HA  ))
   (( segid "    " and resid 153  and name HN  ))
      6.000     4.500     0.000 peak   535 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.575 ppm2      8.733 CV     1
 ASSI {  541}
   (( segid "    " and resid 139  and name HA  ))
   (( segid "    " and resid 140  and name HN  ))
      6.000     4.500     0.000 peak   541 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.513 ppm2      8.357 CV     1
 ASSI {  542}
   (( segid "    " and resid 139  and name HA  ))
   (( segid "    " and resid 139  and name HN  ))
      6.000     4.500     0.000 peak   542 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.513 ppm2      7.511 CV     1
 ASSI {  554}
   (( segid "    " and resid 151  and name HA  ))
   (( segid "    " and resid 151  and name HN  ))
      6.000     4.500     0.000 peak   554 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.090 ppm2      7.525 CV     1
 ASSI {  555}
   (( segid "    " and resid 151  and name HA  ))
   (( segid "    " and resid 150  and name HN  ))
      6.000     4.500     0.000 peak   555 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.085 ppm2      7.842 CV     1
 ASSI {  561}
   (( segid "    " and resid 138  and name HD2 ))
   (  segid "    " and resid 137  and name HD% )
      6.000     4.500     0.000 peak   561 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.028 ppm2      7.337 CV     1
 OR {  561}
   (( segid "    " and resid 138  and name HD1 ))
   (  segid "    " and resid 137  and name HD% )
 ASSI {  563}
   (( segid "    " and resid 44   and name HD1 ))
   (  segid "    " and resid 53   and name HD% )
      6.000     4.500     0.000 peak   563 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.857 ppm2      6.521 CV     1
 ASSI {  568}
   (( segid "    " and resid 29   and name HD2 ))
   (( segid "    " and resid 28   and name HN  ))
      6.000     4.500     0.000 peak   568 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.666 ppm2      7.173 CV     1
 ASSI {  573}
   (( segid "    " and resid 127  and name HD1 ))
   (( segid "    " and resid 126  and name HN  ))
      6.000     4.500     0.000 peak   573 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.391 ppm2      8.700 CV     1
 ASSI {  575}
   (( segid "    " and resid 127  and name HD2 ))
   (( segid "    " and resid 126  and name HN  ))
      6.000     4.500     0.000 peak   575 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.225 ppm2      8.702 CV     1
 ASSI {  582}
   (( segid "    " and resid 91   and name HD2 ))
   (( segid "    " and resid 90   and name HN  ))
      6.000     4.500     0.000 peak   582 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.687 ppm2      7.897 CV     1
 ASSI {  587}
   (( segid "    " and resid 133  and name HD1 ))
   (( segid "    " and resid 130  and name HN  ))
      6.000     4.500     0.000 peak   587 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.426 ppm2      7.720 CV     1
 ASSI {  588}
   (( segid "    " and resid 133  and name HD1 ))
   (( segid "    " and resid 135  and name HN  ))
      6.000     4.500     0.000 peak   588 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.429 ppm2      7.238 CV     1
 ASSI {  589}
   (( segid "    " and resid 66   and name HD1 ))
   (( segid "    " and resid 67   and name HN  ))
      6.000     4.500     0.000 peak   589 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.422 ppm2      8.723 CV     1
 ASSI {  590}
   (( segid "    " and resid 100  and name HB2 ))
   (  segid "    " and resid 4    and name HD% )
      6.000     4.500     0.000 peak   590 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.998 ppm2      6.841 CV     1
 ASSI {  592}
   (( segid "    " and resid 100  and name HB1 ))
   (  segid "    " and resid 4    and name HD% )
      6.000     4.500     0.000 peak   592 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.807 ppm2      6.835 CV     1
 ASSI {  595}
   (( segid "    " and resid 11   and name HB2 ))
   (( segid "    " and resid 11   and name HN  ))
      6.000     4.500     0.000 peak   595 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.254 ppm2      6.988 CV     1
 ASSI {  596}
   (( segid "    " and resid 11   and name HB2 ))
   (( segid "    " and resid 12   and name HN  ))
      6.000     4.500     0.000 peak   596 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.247 ppm2      8.151 CV     1
 ASSI {  599}
   (( segid "    " and resid 122  and name HA2 ))
   (  segid "    " and resid 152  and name HD% )
      6.000     4.500     0.000 peak   599 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.178 ppm2      7.050 CV     1
 ASSI {  600}
   (( segid "    " and resid 122  and name HA2 ))
   (( segid "    " and resid 123  and name HN  ))
      6.000     4.500     0.000 peak   600 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.147 ppm2      6.948 CV     1
 ASSI {  601}
   (( segid "    " and resid 122  and name HA2 ))
   (( segid "    " and resid 126  and name HD1 ))
      6.000     4.500     0.000 peak   601 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.151 ppm2      6.712 CV     1
 ASSI {  602}
   (( segid "    " and resid 102  and name HA1 ))
   (( segid "    " and resid 103  and name HN  ))
      6.000     4.500     0.000 peak   602 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.889 ppm2      9.257 CV     1
 OR {  602}
   (( segid "    " and resid 102  and name HA2 ))
   (( segid "    " and resid 103  and name HN  ))
 ASSI {  604}
   (( segid "    " and resid 102  and name HA2 ))
   (( segid "    " and resid 102  and name HN  ))
      6.000     4.500     0.000 peak   604 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.886 ppm2      8.411 CV     1
 OR {  604}
   (( segid "    " and resid 102  and name HA1 ))
   (( segid "    " and resid 102  and name HN  ))
 ASSI {  605}
   (( segid "    " and resid 122  and name HA1 ))
   (( segid "    " and resid 123  and name HN  ))
      6.000     4.500     0.000 peak   605 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.880 ppm2      6.954 CV     1
 ASSI {  606}
   (( segid "    " and resid 122  and name HA1 ))
   (( segid "    " and resid 126  and name HD1 ))
      6.000     4.500     0.000 peak   606 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.886 ppm2      6.731 CV     1
 ASSI {  607}
   (( segid "    " and resid 122  and name HA1 ))
   (( segid "    " and resid 122  and name HN  ))
      6.000     4.500     0.000 peak   607 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.874 ppm2      9.425 CV     1
 ASSI {  608}
   (( segid "    " and resid 122  and name HA1 ))
   (( segid "    " and resid 126  and name HN  ))
      6.000     4.500     0.000 peak   608 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.876 ppm2      8.714 CV     1
 ASSI {  609}
   (( segid "    " and resid 122  and name HA1 ))
   (  segid "    " and resid 152  and name HD% )
      6.000     4.500     0.000 peak   609 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.869 ppm2      7.046 CV     1
 ASSI {  612}
   (( segid "    " and resid 60   and name HB1 ))
   (( segid "    " and resid 60   and name HN  ))
      6.000     4.500     0.000 peak   612 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.032 ppm2      9.319 CV     1
 ASSI {  614}
   (( segid "    " and resid 81   and name HA2 ))
   (( segid "    " and resid 82   and name HN  ))
      6.000     4.500     0.000 peak   614 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.122 ppm2      8.210 CV     1
 ASSI {  617}
   (( segid "    " and resid 55   and name HB1 ))
   (( segid "    " and resid 55   and name HD22))
      6.000     4.500     0.000 peak   617 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.240 ppm2      8.013 CV     1
 ASSI {  618}
   (( segid "    " and resid 26   and name HA2 ))
   (( segid "    " and resid 27   and name HN  ))
      6.000     4.500     0.000 peak   618 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.986 ppm2      7.337 CV     1
 ASSI {  624}
   (( segid "    " and resid 26   and name HA1 ))
   (( segid "    " and resid 28   and name HN  ))
      6.000     4.500     0.000 peak   624 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.874 ppm2      7.174 CV     1
 ASSI {  626}
   (( segid "    " and resid 55   and name HB2 ))
   (( segid "    " and resid 55   and name HD22))
      6.000     4.500     0.000 peak   626 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.360 ppm2      8.015 CV     1
 ASSI {  636}
   (( segid "    " and resid 94   and name HB1 ))
   (( segid "    " and resid 94   and name HN  ))
      6.000     4.500     0.000 peak   636 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.528 ppm2      6.371 CV     1
 OR {  636}
   (( segid "    " and resid 94   and name HB2 ))
   (( segid "    " and resid 94   and name HN  ))
 ASSI {  638}
   (( segid "    " and resid 140  and name HA2 ))
   (( segid "    " and resid 141  and name HN  ))
      6.000     4.500     0.000 peak   638 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.408 ppm2      8.001 CV     1
 ASSI {  639}
   (( segid "    " and resid 8    and name HA1 ))
   (( segid "    " and resid 95   and name HN  ))
      6.000     4.500     0.000 peak   639 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.171 ppm2      9.226 CV     1
 ASSI {  643}
   (( segid "    " and resid 8    and name HA1 ))
   (( segid "    " and resid 9    and name HN  ))
      6.000     4.500     0.000 peak   643 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.164 ppm2      7.999 CV     1
 ASSI {  645}
   (( segid "    " and resid 140  and name HA1 ))
   (( segid "    " and resid 141  and name HN  ))
      6.000     4.500     0.000 peak   645 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.533 ppm2      7.995 CV     1
 ASSI {  647}
   (( segid "    " and resid 95   and name HB1 ))
   (( segid "    " and resid 95   and name HN  ))
      6.000     4.500     0.000 peak   647 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.263 ppm2      9.211 CV     1
 ASSI {  652}
   (( segid "    " and resid 90   and name HA1 ))
   (( segid "    " and resid 50   and name HE22))
      6.000     4.500     0.000 peak   652 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.936 ppm2      7.106 CV     1
 ASSI {  659}
   (( segid "    " and resid 117  and name HB2 ))
   (( segid "    " and resid 117  and name HN  ))
      6.000     4.500     0.000 peak   659 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.525 ppm2      8.021 CV     1
 ASSI {  661}
   (( segid "    " and resid 117  and name HB2 ))
   (( segid "    " and resid 120  and name HD22))
      6.000     4.500     0.000 peak   661 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.521 ppm2      6.898 CV     1
 ASSI {  665}
   (( segid "    " and resid 117  and name HB1 ))
   (  segid "    " and resid 116  and name HD% )
      6.000     4.500     0.000 peak   665 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.886 ppm2      6.659 CV     1
 ASSI {  668}
   (( segid "    " and resid 46   and name HA1 ))
   (( segid "    " and resid 89   and name HE3 ))
      6.000     4.500     0.000 peak   668 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.676 ppm2      7.608 CV     1
 ASSI {  669}
   (( segid "    " and resid 144  and name HD2 ))
   (( segid "    " and resid 147  and name HN  ))
      6.000     4.500     0.000 peak   669 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.389 ppm2      7.470 CV     1
 ASSI {  670}
   (( segid "    " and resid 144  and name HD1 ))
   (( segid "    " and resid 147  and name HN  ))
      6.000     4.500     0.000 peak   670 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.274 ppm2      7.462 CV     1
 ASSI {  672}
   (( segid "    " and resid 34   and name HB2 ))
   (( segid "    " and resid 34   and name HN  ))
      6.000     4.500     0.000 peak   672 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.674 ppm2      9.182 CV     1
 ASSI {  673}
   (( segid "    " and resid 34   and name HB1 ))
   (( segid "    " and resid 34   and name HN  ))
      6.000     4.500     0.000 peak   673 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.552 ppm2      9.185 CV     1
 ASSI {  677}
   (( segid "    " and resid 155  and name HB2 ))
   (( segid "    " and resid 155  and name HN  ))
      6.000     4.500     0.000 peak   677 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.443 ppm2      7.700 CV     1
 OR {  677}
   (( segid "    " and resid 155  and name HB1 ))
   (( segid "    " and resid 155  and name HN  ))
 ASSI {  682}
   (( segid "    " and resid 125  and name HB2 ))
   (( segid "    " and resid 125  and name HN  ))
      6.000     4.500     0.000 peak   682 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.067 ppm2      7.630 CV     1
 ASSI {  684}
   (( segid "    " and resid 75   and name HD1 ))
   (( segid "    " and resid 75   and name HN  ))
      6.000     4.500     0.000 peak   684 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.194 ppm2      7.704 CV     1
 ASSI {  689}
   (( segid "    " and resid 41   and name HD1 ))
   (( segid "    " and resid 41   and name HA  ))
      6.000     4.500     0.000 peak   689 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.840 ppm2      6.088 CV     1
 ASSI {  691}
   (( segid "    " and resid 64   and name HB1 ))
   (( segid "    " and resid 65   and name HN  ))
      6.000     4.500     0.000 peak   691 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.497 ppm2      8.386 CV     1
 ASSI {  696}
   (( segid "    " and resid 41   and name HD2 ))
   (( segid "    " and resid 156  and name HD22))
      6.000     4.500     0.000 peak   696 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.179 ppm2      7.116 CV     1
 ASSI {  698}
   (( segid "    " and resid 25   and name HB2 ))
   (( segid "    " and resid 25   and name HN  ))
      6.000     4.500     0.000 peak   698 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.132 ppm2      9.340 CV     1
 ASSI {  712}
   (( segid "    " and resid 150  and name HD2 ))
   (( segid "    " and resid 150  and name HN  ))
      6.000     4.500     0.000 peak   712 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.115 ppm2      7.852 CV     1
 ASSI {  714}
   (( segid "    " and resid 150  and name HD2 ))
   (( segid "    " and resid 121  and name HN  ))
      6.000     4.500     0.000 peak   714 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.117 ppm2      6.985 CV     1
 ASSI {  719}
   (( segid "    " and resid 143  and name HB2 ))
   (( segid "    " and resid 144  and name HN  ))
      6.000     4.500     0.000 peak   719 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.213 ppm2      9.599 CV     1
 ASSI {  720}
   (( segid "    " and resid 128  and name HB2 ))
   (( segid "    " and resid 128  and name HN  ))
      6.000     4.500     0.000 peak   720 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.039 ppm2      6.569 CV     1
 ASSI {  723}
   (( segid "    " and resid 45   and name HB2 ))
   (( segid "    " and resid 50   and name HE22))
      6.000     4.500     0.000 peak   723 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.613 ppm2      7.109 CV     1
 OR {  723}
   (( segid "    " and resid 45   and name HB1 ))
   (( segid "    " and resid 50   and name HE22))
 ASSI {  729}
   (( segid "    " and resid 128  and name HB1 ))
   (( segid "    " and resid 129  and name HN  ))
      6.000     4.500     0.000 peak   729 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.231 ppm2      8.690 CV     1
 ASSI {  732}
   (( segid "    " and resid 27   and name HB2 ))
   (( segid "    " and resid 26   and name HN  ))
      6.000     4.500     0.000 peak   732 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.941 ppm2      7.500 CV     1
 ASSI {  744}
   (( segid "    " and resid 78   and name HB2 ))
   (( segid "    " and resid 79   and name HN  ))
      6.000     4.500     0.000 peak   744 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.959 ppm2      8.793 CV     1
 ASSI {  745}
   (( segid "    " and resid 78   and name HB2 ))
   (( segid "    " and resid 78   and name HN  ))
      6.000     4.500     0.000 peak   745 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.957 ppm2      7.993 CV     1
 ASSI {  746}
   (( segid "    " and resid 78   and name HB1 ))
   (( segid "    " and resid 79   and name HN  ))
      6.000     4.500     0.000 peak   746 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.794 ppm2      8.796 CV     1
 ASSI {  751}
   (( segid "    " and resid 22   and name HB2 ))
   (( segid "    " and resid 23   and name HN  ))
      6.000     4.500     0.000 peak   751 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.072 ppm2      7.425 CV     1
 ASSI {  753}
   (( segid "    " and resid 5    and name HB  ))
   (( segid "    " and resid 4    and name HA  ))
      6.000     4.500     0.000 peak   753 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.783 ppm2      5.564 CV     1
 ASSI {  755}
   (( segid "    " and resid 5    and name HB  ))
   (( segid "    " and resid 58   and name HN  ))
      6.000     4.500     0.000 peak   755 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.777 ppm2      9.079 CV     1
 ASSI {  756}
   (( segid "    " and resid 22   and name HB1 ))
   (( segid "    " and resid 22   and name HN  ))
      6.000     4.500     0.000 peak   756 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.467 ppm2      8.515 CV     1
 ASSI {  757}
   (( segid "    " and resid 22   and name HB1 ))
   (( segid "    " and resid 23   and name HN  ))
      6.000     4.500     0.000 peak   757 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.465 ppm2      7.427 CV     1
 ASSI {  763}
   (( segid "    " and resid 101  and name HB2 ))
   (  segid "    " and resid 101  and name HD% )
      6.000     4.500     0.000 peak   763 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.334 ppm2      7.038 CV     1
 ASSI {  764}
   (( segid "    " and resid 40   and name HB2 ))
   (  segid "    " and resid 40   and name HD% )
      6.000     4.500     0.000 peak   764 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.060 ppm2      7.051 CV     1
 ASSI {  765}
   (( segid "    " and resid 40   and name HB2 ))
   (( segid "    " and resid 40   and name HN  ))
      6.000     4.500     0.000 peak   765 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.048 ppm2      9.120 CV     1
 ASSI {  767}
   (( segid "    " and resid 53   and name HB2 ))
   (  segid "    " and resid 53   and name HD% )
      6.000     4.500     0.000 peak   767 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.900 ppm2      6.558 CV     1
 ASSI {  772}
   (( segid "    " and resid 97   and name HB2 ))
   (( segid "    " and resid 115  and name HD2 ))
      6.000     4.500     0.000 peak   772 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.528 ppm2      6.799 CV     1
 ASSI {  774}
   (( segid "    " and resid 97   and name HB1 ))
   (( segid "    " and resid 97   and name HN  ))
      6.000     4.500     0.000 peak   774 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.374 ppm2      8.997 CV     1
 ASSI {  776}
   (( segid "    " and resid 101  and name HB1 ))
   (  segid "    " and resid 101  and name HD% )
      6.000     4.500     0.000 peak   776 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.325 ppm2      7.032 CV     1
 ASSI {  777}
   (( segid "    " and resid 53   and name HB1 ))
   (  segid "    " and resid 53   and name HD% )
      6.000     4.500     0.000 peak   777 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.257 ppm2      6.556 CV     1
 ASSI {  778}
   (( segid "    " and resid 53   and name HB1 ))
   (( segid "    " and resid 53   and name HN  ))
      6.000     4.500     0.000 peak   778 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.246 ppm2      8.850 CV     1
 ASSI {  781}
   (( segid "    " and resid 40   and name HB2 ))
   (( segid "    " and resid 41   and name HN  ))
      6.000     4.500     0.000 peak   781 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.052 ppm2      8.841 CV     1
 ASSI {  782}
   (( segid "    " and resid 40   and name HB2 ))
   (( segid "    " and resid 40   and name HA  ))
      6.000     4.500     0.000 peak   782 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.053 ppm2      5.258 CV     1
 ASSI {  783}
   (( segid "    " and resid 153  and name HB2 ))
   (( segid "    " and resid 153  and name HN  ))
      6.000     4.500     0.000 peak   783 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.766 ppm2      8.739 CV     1
 ASSI {  785}
   (( segid "    " and resid 40   and name HB1 ))
   (  segid "    " and resid 40   and name HD% )
      6.000     4.500     0.000 peak   785 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.694 ppm2      7.046 CV     1
 ASSI {  791}
   (( segid "    " and resid 52   and name HB1 ))
   (( segid "    " and resid 53   and name HN  ))
      6.000     4.500     0.000 peak   791 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.427 ppm2      8.836 CV     1
 ASSI {  797}
   (( segid "    " and resid 4    and name HB2 ))
   (( segid "    " and resid 100  and name HN  ))
      6.000     4.500     0.000 peak   797 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.731 ppm2      7.545 CV     1
 ASSI {  798}
   (( segid "    " and resid 4    and name HB1 ))
   (( segid "    " and resid 4    and name HN  ))
      6.000     4.500     0.000 peak   798 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.668 ppm2      8.652 CV     1
 ASSI {  799}
   (( segid "    " and resid 119  and name HE2 ))
   (  segid "    " and resid 137  and name HD% )
      6.000     4.500     0.000 peak   799 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.303 ppm2      7.336 CV     1
 ASSI {  800}
   (( segid "    " and resid 7    and name HB  ))
   (( segid "    " and resid 7    and name HN  ))
      6.000     4.500     0.000 peak   800 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.471 ppm2      8.973 CV     1
 ASSI {  804}
   (( segid "    " and resid 120  and name HB2 ))
   (( segid "    " and resid 120  and name HN  ))
      6.000     4.500     0.000 peak   804 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.003 ppm2      7.427 CV     1
 ASSI {  809}
   (( segid "    " and resid 4    and name HB2 ))
   (  segid "    " and resid 4    and name HD% )
      6.000     4.500     0.000 peak   809 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.750 ppm2      6.825 CV     1
 ASSI {  811}
   (( segid "    " and resid 4    and name HB1 ))
   (( segid "    " and resid 100  and name HN  ))
      6.000     4.500     0.000 peak   811 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.687 ppm2      7.528 CV     1
 ASSI {  822}
   (( segid "    " and resid 107  and name HB2 ))
   (( segid "    " and resid 107  and name HN  ))
      6.000     4.500     0.000 peak   822 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.755 ppm2      9.217 CV     1
 ASSI {  823}
   (( segid "    " and resid 107  and name HB2 ))
   (( segid "    " and resid 108  and name HN  ))
      6.000     4.500     0.000 peak   823 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.755 ppm2      8.982 CV     1
 ASSI {  824}
   (( segid "    " and resid 107  and name HB2 ))
   (( segid "    " and resid 107  and name HD21))
      6.000     4.500     0.000 peak   824 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.754 ppm2      7.811 CV     1
 ASSI {  825}
   (( segid "    " and resid 107  and name HB2 ))
   (( segid "    " and resid 107  and name HA  ))
      6.000     4.500     0.000 peak   825 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.754 ppm2      5.522 CV     1
 ASSI {  829}
   (( segid "    " and resid 107  and name HB1 ))
   (( segid "    " and resid 107  and name HA  ))
      6.000     4.500     0.000 peak   829 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.685 ppm2      5.522 CV     1
 ASSI {  832}
   (( segid "    " and resid 152  and name HB2 ))
   (  segid "    " and resid 152  and name HD% )
      6.000     4.500     0.000 peak   832 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.386 ppm2      7.065 CV     1
 ASSI {  836}
   (( segid "    " and resid 129  and name HB2 ))
   (  segid "    " and resid 129  and name HD% )
      6.000     4.500     0.000 peak   836 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.185 ppm2      7.194 CV     1
 ASSI {  838}
   (( segid "    " and resid 129  and name HB1 ))
   (  segid "    " and resid 129  and name HD% )
      6.000     4.500     0.000 peak   838 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.890 ppm2      7.211 CV     1
 ASSI {  842}
   (( segid "    " and resid 152  and name HB1 ))
   (  segid "    " and resid 152  and name HD% )
      6.000     4.500     0.000 peak   842 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.674 ppm2      7.074 CV     1
 ASSI {  843}
   (( segid "    " and resid 103  and name HB1 ))
   (( segid "    " and resid 103  and name HD22))
      6.000     4.500     0.000 peak   843 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.682 ppm2      6.991 CV     1
 ASSI {  845}
   (( segid "    " and resid 103  and name HB2 ))
   (( segid "    " and resid 103  and name HN  ))
      6.000     4.500     0.000 peak   845 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.008 ppm2      9.261 CV     1
 ASSI {  851}
   (( segid "    " and resid 103  and name HB1 ))
   (( segid "    " and resid 103  and name HN  ))
      6.000     4.500     0.000 peak   851 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.682 ppm2      9.264 CV     1
 ASSI {  852}
   (( segid "    " and resid 103  and name HB1 ))
   (( segid "    " and resid 104  and name HN  ))
      6.000     4.500     0.000 peak   852 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.683 ppm2      8.356 CV     1
 ASSI {  855}
   (( segid "    " and resid 10   and name HB1 ))
   (( segid "    " and resid 10   and name HD21))
      6.000     4.500     0.000 peak   855 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.646 ppm2      6.873 CV     1
 ASSI {  856}
   (( segid "    " and resid 49   and name HB2 ))
   (( segid "    " and resid 50   and name HN  ))
      6.000     4.500     0.000 peak   856 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.732 ppm2      7.823 CV     1
 ASSI {  857}
   (( segid "    " and resid 49   and name HB2 ))
   (( segid "    " and resid 49   and name HN  ))
      6.000     4.500     0.000 peak   857 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.717 ppm2      8.878 CV     1
 ASSI {  864}
   (( segid "    " and resid 137  and name HB2 ))
   (  segid "    " and resid 137  and name HD% )
      6.000     4.500     0.000 peak   864 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.392 ppm2      7.342 CV     1
 ASSI {  866}
   (( segid "    " and resid 137  and name HB1 ))
   (( segid "    " and resid 141  and name HN  ))
      6.000     4.500     0.000 peak   866 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.268 ppm2      8.010 CV     1
 ASSI {  867}
   (( segid "    " and resid 137  and name HB1 ))
   (  segid "    " and resid 137  and name HD% )
      6.000     4.500     0.000 peak   867 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.261 ppm2      7.331 CV     1
 ASSI {  871}
   (( segid "    " and resid 33   and name HB  ))
   (( segid "    " and resid 34   and name HN  ))
      6.000     4.500     0.000 peak   871 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.780 ppm2      9.185 CV     1
 ASSI {  872}
   (( segid "    " and resid 116  and name HB2 ))
   (( segid "    " and resid 116  and name HN  ))
      6.000     4.500     0.000 peak   872 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.077 ppm2      8.407 CV     1
 ASSI {  873}
   (( segid "    " and resid 116  and name HB2 ))
   (  segid "    " and resid 116  and name HD% )
      6.000     4.500     0.000 peak   873 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.082 ppm2      6.656 CV     1
 ASSI {  874}
   (( segid "    " and resid 116  and name HB1 ))
   (  segid "    " and resid 116  and name HD% )
      6.000     4.500     0.000 peak   874 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.989 ppm2      6.654 CV     1
 ASSI {  877}
   (( segid "    " and resid 67   and name HG2 ))
   (( segid "    " and resid 68   and name HN  ))
      6.000     4.500     0.000 peak   877 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.154 ppm2      6.878 CV     1
 ASSI {  878}
   (( segid "    " and resid 67   and name HG1 ))
   (( segid "    " and resid 67   and name HN  ))
      6.000     4.500     0.000 peak   878 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.979 ppm2      8.723 CV     1
 ASSI {  879}
   (( segid "    " and resid 67   and name HG1 ))
   (( segid "    " and resid 68   and name HN  ))
      6.000     4.500     0.000 peak   879 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.984 ppm2      6.871 CV     1
 ASSI {  880}
   (( segid "    " and resid 146  and name HB  ))
   (( segid "    " and resid 146  and name HN  ))
      6.000     4.500     0.000 peak   880 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.796 ppm2      7.871 CV     1
 ASSI {  882}
   (( segid "    " and resid 146  and name HB  ))
   (( segid "    " and resid 145  and name HN  ))
      6.000     4.500     0.000 peak   882 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.786 ppm2      6.746 CV     1
 ASSI {  896}
   (( segid "    " and resid 76   and name HB  ))
   (( segid "    " and resid 77   and name HN  ))
      6.000     4.500     0.000 peak   896 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.856 ppm2      8.040 CV     1
 ASSI {  898}
   (( segid "    " and resid 123  and name HB2 ))
   (( segid "    " and resid 123  and name HN  ))
      6.000     4.500     0.000 peak   898 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.358 ppm2      6.967 CV     1
 ASSI {  908}
   (( segid "    " and resid 141  and name HG2 ))
   (( segid "    " and resid 142  and name HN  ))
      6.000     4.500     0.000 peak   908 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.289 ppm2      9.274 CV     1
 ASSI {  909}
   (( segid "    " and resid 141  and name HG2 ))
   (( segid "    " and resid 141  and name HN  ))
      6.000     4.500     0.000 peak   909 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.286 ppm2      8.004 CV     1
 ASSI {  919}
   (( segid "    " and resid 16   and name HG2 ))
   (( segid "    " and resid 16   and name HN  ))
      6.000     4.500     0.000 peak   919 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.388 ppm2      7.278 CV     1
 ASSI {  920}
   (( segid "    " and resid 16   and name HG1 ))
   (( segid "    " and resid 19   and name HD21))
      6.000     4.500     0.000 peak   920 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.362 ppm2      7.411 CV     1
 ASSI {  922}
   (( segid "    " and resid 16   and name HG1 ))
   (( segid "    " and resid 16   and name HN  ))
      6.000     4.500     0.000 peak   922 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.346 ppm2      7.277 CV     1
 ASSI {  923}
   (( segid "    " and resid 104  and name HG2 ))
   (( segid "    " and resid 104  and name HN  ))
      6.000     4.500     0.000 peak   923 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.603 ppm2      8.344 CV     1
 ASSI {  924}
   (( segid "    " and resid 104  and name HG2 ))
   (( segid "    " and resid 103  and name HN  ))
      6.000     4.500     0.000 peak   924 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.601 ppm2      9.263 CV     1
 ASSI {  926}
   (( segid "    " and resid 104  and name HG2 ))
   (  segid "    " and resid 101  and name HD% )
      6.000     4.500     0.000 peak   926 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.601 ppm2      7.037 CV     1
 ASSI {  929}
   (( segid "    " and resid 104  and name HG1 ))
   (( segid "    " and resid 103  and name HN  ))
      6.000     4.500     0.000 peak   929 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.529 ppm2      9.261 CV     1
 ASSI {  931}
   (( segid "    " and resid 104  and name HG1 ))
   (( segid "    " and resid 105  and name HN  ))
      6.000     4.500     0.000 peak   931 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.525 ppm2      8.190 CV     1
 ASSI {  932}
   (( segid "    " and resid 104  and name HG1 ))
   (  segid "    " and resid 101  and name HD% )
      6.000     4.500     0.000 peak   932 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.530 ppm2      7.043 CV     1
 ASSI {  934}
   (( segid "    " and resid 30   and name HG2 ))
   (( segid "    " and resid 30   and name HN  ))
      6.000     4.500     0.000 peak   934 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.180 ppm2      8.918 CV     1
 ASSI {  935}
   (( segid "    " and resid 30   and name HG2 ))
   (( segid "    " and resid 31   and name HN  ))
      6.000     4.500     0.000 peak   935 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.182 ppm2      7.273 CV     1
 ASSI {  937}
   (( segid "    " and resid 58   and name HB  ))
   (( segid "    " and resid 5    and name HN  ))
      6.000     4.500     0.000 peak   937 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.977 ppm2      9.503 CV     1
 ASSI {  938}
   (( segid "    " and resid 77   and name HG2 ))
   (( segid "    " and resid 77   and name HN  ))
      6.000     4.500     0.000 peak   938 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.863 ppm2      8.022 CV     1
 ASSI {  940}
   (( segid "    " and resid 80   and name HG2 ))
   (( segid "    " and resid 80   and name HE21))
      6.000     4.500     0.000 peak   940 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.504 ppm2      7.914 CV     1
 ASSI {  942}
   (( segid "    " and resid 80   and name HG2 ))
   (( segid "    " and resid 80   and name HE22))
      6.000     4.500     0.000 peak   942 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.509 ppm2      7.458 CV     1
 ASSI {  946}
   (( segid "    " and resid 68   and name HG1 ))
   (( segid "    " and resid 72   and name HD2 ))
      6.000     4.500     0.000 peak   946 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.415 ppm2      7.225 CV     1
 OR {  946}
   (( segid "    " and resid 68   and name HG2 ))
   (( segid "    " and resid 72   and name HD2 ))
 ASSI {  948}
   (( segid "    " and resid 109  and name HG2 ))
   (( segid "    " and resid 109  and name HN  ))
      6.000     4.500     0.000 peak   948 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.341 ppm2      8.884 CV     1
 ASSI {  950}
   (( segid "    " and resid 80   and name HG1 ))
   (( segid "    " and resid 80   and name HE21))
      6.000     4.500     0.000 peak   950 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.269 ppm2      7.910 CV     1
 ASSI {  952}
   (( segid "    " and resid 80   and name HG1 ))
   (( segid "    " and resid 80   and name HE22))
      6.000     4.500     0.000 peak   952 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.258 ppm2      7.443 CV     1
 ASSI {  957}
   (( segid "    " and resid 58   and name HB  ))
   (( segid "    " and resid 57   and name HA  ))
      6.000     4.500     0.000 peak   957 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.983 ppm2      5.683 CV     1
 ASSI {  958}
   (( segid "    " and resid 77   and name HG1 ))
   (( segid "    " and resid 77   and name HN  ))
      6.000     4.500     0.000 peak   958 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.956 ppm2      8.024 CV     1
 ASSI {  960}
   (( segid "    " and resid 68   and name HG1 ))
   (( segid "    " and resid 71   and name HD21))
      6.000     4.500     0.000 peak   960 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.415 ppm2      7.458 CV     1
 OR {  960}
   (( segid "    " and resid 68   and name HG2 ))
   (( segid "    " and resid 71   and name HD21))
 ASSI {  968}
   (( segid "    " and resid 134  and name HG2 ))
   (( segid "    " and resid 135  and name HN  ))
      6.000     4.500     0.000 peak   968 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.319 ppm2      7.214 CV     1
 ASSI {  969}
   (( segid "    " and resid 134  and name HG2 ))
   (( segid "    " and resid 134  and name HN  ))
      6.000     4.500     0.000 peak   969 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.315 ppm2      8.299 CV     1
 ASSI {  970}
   (( segid "    " and resid 61   and name HG2 ))
   (( segid "    " and resid 62   and name HN  ))
      6.000     4.500     0.000 peak   970 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.221 ppm2      9.214 CV     1
 ASSI {  972}
   (( segid "    " and resid 61   and name HG1 ))
   (( segid "    " and resid 61   and name HN  ))
      6.000     4.500     0.000 peak   972 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.933 ppm2      8.810 CV     1
 ASSI {  977}
   (( segid "    " and resid 36   and name HB  ))
   (( segid "    " and resid 37   and name HN  ))
      6.000     4.500     0.000 peak   977 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.967 ppm2      9.137 CV     1
 ASSI {  985}
   (( segid "    " and resid 48   and name HG2 ))
   (( segid "    " and resid 48   and name HN  ))
      6.000     4.500     0.000 peak   985 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.557 ppm2      8.584 CV     1
 ASSI {  987}
   (( segid "    " and resid 48   and name HG1 ))
   (( segid "    " and resid 48   and name HN  ))
      6.000     4.500     0.000 peak   987 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.475 ppm2      8.581 CV     1
 ASSI {  988}
   (( segid "    " and resid 48   and name HG1 ))
   (( segid "    " and resid 48   and name HE21))
      6.000     4.500     0.000 peak   988 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.472 ppm2      7.769 CV     1
 ASSI {  989}
   (( segid "    " and resid 48   and name HG1 ))
   (( segid "    " and resid 48   and name HE22))
      6.000     4.500     0.000 peak   989 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.473 ppm2      7.046 CV     1
 ASSI {  993}
   (( segid "    " and resid 99   and name HB1 ))
   (( segid "    " and resid 99   and name HN  ))
      6.000     4.500     0.000 peak   993 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.145 ppm2      9.596 CV     1
 ASSI {  994}
   (( segid "    " and resid 99   and name HB1 ))
   (( segid "    " and resid 100  and name HN  ))
      6.000     4.500     0.000 peak   994 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.138 ppm2      7.543 CV     1
 ASSI {  997}
   (( segid "    " and resid 79   and name HG2 ))
   (( segid "    " and resid 79   and name HE21))
      6.000     4.500     0.000 peak   997 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.696 ppm2      7.800 CV     1
 ASSI {  998}
   (( segid "    " and resid 79   and name HG2 ))
   (( segid "    " and resid 79   and name HN  ))
      6.000     4.500     0.000 peak   998 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.681 ppm2      8.796 CV     1
 ASSI {  999}
   (( segid "    " and resid 79   and name HG2 ))
   (( segid "    " and resid 80   and name HN  ))
      6.000     4.500     0.000 peak   999 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.682 ppm2      7.653 CV     1
 ASSI { 1001}
   (( segid "    " and resid 79   and name HG2 ))
   (( segid "    " and resid 79   and name HE22))
      6.000     4.500     0.000 peak  1001 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.675 ppm2      6.996 CV     1
 ASSI { 1003}
   (( segid "    " and resid 79   and name HG1 ))
   (( segid "    " and resid 81   and name HN  ))
      6.000     4.500     0.000 peak  1003 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.588 ppm2      7.936 CV     1
 ASSI { 1004}
   (( segid "    " and resid 79   and name HG1 ))
   (( segid "    " and resid 80   and name HN  ))
      6.000     4.500     0.000 peak  1004 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.587 ppm2      7.646 CV     1
 ASSI { 1012}
   (( segid "    " and resid 145  and name HG2 ))
   (( segid "    " and resid 146  and name HN  ))
      6.000     4.500     0.000 peak  1012 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.490 ppm2      7.862 CV     1
 OR { 1012}
   (( segid "    " and resid 145  and name HG1 ))
   (( segid "    " and resid 146  and name HN  ))
 ASSI { 1017}
   (( segid "    " and resid 142  and name HB1 ))
   (( segid "    " and resid 142  and name HN  ))
      6.000     4.500     0.000 peak  1017 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.099 ppm2      9.262 CV     1
 ASSI { 1019}
   (( segid "    " and resid 14   and name HB2 ))
   (( segid "    " and resid 15   and name HN  ))
      6.000     4.500     0.000 peak  1019 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.152 ppm2      8.176 CV     1
 ASSI { 1020}
   (( segid "    " and resid 99   and name HG1 ))
   (( segid "    " and resid 99   and name HN  ))
      6.000     4.500     0.000 peak  1020 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.193 ppm2      9.594 CV     1
 ASSI { 1024}
   (( segid "    " and resid 99   and name HG2 ))
   (( segid "    " and resid 99   and name HN  ))
      6.000     4.500     0.000 peak  1024 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.694 ppm2      9.598 CV     1
 ASSI { 1026}
   (( segid "    " and resid 41   and name HB2 ))
   (( segid "    " and resid 158  and name HE3 ))
      6.000     4.500     0.000 peak  1026 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.747 ppm2      7.404 CV     1
 OR { 1026}
   (( segid "    " and resid 41   and name HB1 ))
   (( segid "    " and resid 158  and name HE3 ))
 ASSI { 1029}
   (( segid "    " and resid 51   and name HB2 ))
   (( segid "    " and resid 52   and name HN  ))
      6.000     4.500     0.000 peak  1029 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.454 ppm2      8.039 CV     1
 ASSI { 1030}
   (( segid "    " and resid 51   and name HB1 ))
   (( segid "    " and resid 52   and name HN  ))
      6.000     4.500     0.000 peak  1030 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.160 ppm2      8.047 CV     1
 ASSI { 1032}
   (( segid "    " and resid 105  and name HB  ))
   (( segid "    " and resid 106  and name HN  ))
      6.000     4.500     0.000 peak  1032 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.022 ppm2      9.411 CV     1
 ASSI { 1033}
   (( segid "    " and resid 105  and name HB  ))
   (( segid "    " and resid 105  and name HN  ))
      6.000     4.500     0.000 peak  1033 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.019 ppm2      8.190 CV     1
 ASSI { 1039}
   (( segid "    " and resid 29   and name HB2 ))
   (( segid "    " and resid 30   and name HN  ))
      6.000     4.500     0.000 peak  1039 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.397 ppm2      8.912 CV     1
 ASSI { 1048}
   (( segid "    " and resid 47   and name HB2 ))
   (( segid "    " and resid 50   and name HE22))
      6.000     4.500     0.000 peak  1048 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.449 ppm2      7.113 CV     1
 ASSI { 1049}
   (( segid "    " and resid 47   and name HB2 ))
   (( segid "    " and resid 48   and name HN  ))
      6.000     4.500     0.000 peak  1049 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.441 ppm2      8.577 CV     1
 ASSI { 1050}
   (( segid "    " and resid 47   and name HB2 ))
   (( segid "    " and resid 50   and name HE21))
      6.000     4.500     0.000 peak  1050 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.437 ppm2      8.300 CV     1
 ASSI { 1051}
   (( segid "    " and resid 85   and name HB2 ))
   (( segid "    " and resid 85   and name HN  ))
      6.000     4.500     0.000 peak  1051 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.993 ppm2      8.299 CV     1
 ASSI { 1053}
   (( segid "    " and resid 23   and name HB2 ))
   (( segid "    " and resid 22   and name HN  ))
      6.000     4.500     0.000 peak  1053 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.983 ppm2      8.532 CV     1
 OR { 1053}
   (( segid "    " and resid 23   and name HB1 ))
   (( segid "    " and resid 22   and name HN  ))
 ASSI { 1057}
   (( segid "    " and resid 154  and name HB2 ))
   (( segid "    " and resid 155  and name HN  ))
      6.000     4.500     0.000 peak  1057 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.415 ppm2      7.685 CV     1
 OR { 1057}
   (( segid "    " and resid 154  and name HB1 ))
   (( segid "    " and resid 155  and name HN  ))
 ASSI { 1059}
   (( segid "    " and resid 115  and name HB2 ))
   (( segid "    " and resid 115  and name HD2 ))
      6.000     4.500     0.000 peak  1059 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.777 ppm2      6.799 CV     1
 ASSI { 1062}
   (( segid "    " and resid 72   and name HB2 ))
   (( segid "    " and resid 72   and name HD2 ))
      6.000     4.500     0.000 peak  1062 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.441 ppm2      7.213 CV     1
 ASSI { 1063}
   (( segid "    " and resid 72   and name HB1 ))
   (( segid "    " and resid 73   and name HN  ))
      6.000     4.500     0.000 peak  1063 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.959 ppm2      9.330 CV     1
 ASSI { 1064}
   (( segid "    " and resid 72   and name HB1 ))
   (( segid "    " and resid 72   and name HD2 ))
      6.000     4.500     0.000 peak  1064 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.957 ppm2      7.218 CV     1
 ASSI { 1067}
   (( segid "    " and resid 91   and name HG2 ))
   (( segid "    " and resid 10   and name HD22))
      6.000     4.500     0.000 peak  1067 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.089 ppm2      6.474 CV     1
 ASSI { 1072}
   (( segid "    " and resid 44   and name HB2 ))
   (( segid "    " and resid 50   and name HE22))
      6.000     4.500     0.000 peak  1072 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.943 ppm2      7.094 CV     1
 OR { 1072}
   (( segid "    " and resid 44   and name HB1 ))
   (( segid "    " and resid 50   and name HE22))
 ASSI { 1073}
   (( segid "    " and resid 44   and name HB1 ))
   (  segid "    " and resid 53   and name HD% )
      6.000     4.500     0.000 peak  1073 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.943 ppm2      6.535 CV     1
 OR { 1073}
   (( segid "    " and resid 44   and name HB2 ))
   (  segid "    " and resid 53   and name HD% )
 ASSI { 1079}
   (( segid "    " and resid 119  and name HB1 ))
   (( segid "    " and resid 119  and name HN  ))
      6.000     4.500     0.000 peak  1079 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.509 ppm2      8.116 CV     1
 ASSI { 1087}
   (( segid "    " and resid 32   and name HB2 ))
   (( segid "    " and resid 32   and name HD2 ))
      6.000     4.500     0.000 peak  1087 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.342 ppm2      7.003 CV     1
 ASSI { 1089}
   (( segid "    " and resid 32   and name HB1 ))
   (( segid "    " and resid 34   and name HN  ))
      6.000     4.500     0.000 peak  1089 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.133 ppm2      9.186 CV     1
 ASSI { 1091}
   (( segid "    " and resid 32   and name HB1 ))
   (( segid "    " and resid 32   and name HD2 ))
      6.000     4.500     0.000 peak  1091 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.126 ppm2      7.003 CV     1
 ASSI { 1099}
   (( segid "    " and resid 2    and name HB  ))
   (( segid "    " and resid 3    and name HN  ))
      6.000     4.500     0.000 peak  1099 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.769 ppm2      9.257 CV     1
 ASSI { 1104}
   (( segid "    " and resid 104  and name HB2 ))
   (  segid "    " and resid 101  and name HD% )
      6.000     4.500     0.000 peak  1104 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.395 ppm2      7.045 CV     1
 ASSI { 1108}
   (( segid "    " and resid 104  and name HB1 ))
   (  segid "    " and resid 101  and name HD% )
      6.000     4.500     0.000 peak  1108 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.191 ppm2      7.038 CV     1
 ASSI { 1112}
   (( segid "    " and resid 133  and name HB2 ))
   (  segid "    " and resid 129  and name HD% )
      6.000     4.500     0.000 peak  1112 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.594 ppm2      7.211 CV     1
 ASSI { 1115}
   (( segid "    " and resid 127  and name HB2 ))
   (  segid "    " and resid 40   and name HD% )
      6.000     4.500     0.000 peak  1115 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.707 ppm2      7.035 CV     1
 ASSI { 1119}
   (( segid "    " and resid 144  and name HB2 ))
   (( segid "    " and resid 144  and name HN  ))
      6.000     4.500     0.000 peak  1119 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.129 ppm2      9.591 CV     1
 ASSI { 1120}
   (( segid "    " and resid 144  and name HB2 ))
   (( segid "    " and resid 147  and name HN  ))
      6.000     4.500     0.000 peak  1120 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.129 ppm2      7.477 CV     1
 ASSI { 1122}
   (( segid "    " and resid 144  and name HB2 ))
   (( segid "    " and resid 145  and name HN  ))
      6.000     4.500     0.000 peak  1122 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.127 ppm2      6.749 CV     1
 ASSI { 1123}
   (( segid "    " and resid 127  and name HB1 ))
   (  segid "    " and resid 40   and name HD% )
      6.000     4.500     0.000 peak  1123 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.955 ppm2      7.043 CV     1
 ASSI { 1125}
   (( segid "    " and resid 127  and name HB1 ))
   (( segid "    " and resid 128  and name HN  ))
      6.000     4.500     0.000 peak  1125 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.945 ppm2      6.567 CV     1
 ASSI { 1130}
   (( segid "    " and resid 144  and name HB1 ))
   (( segid "    " and resid 145  and name HN  ))
      6.000     4.500     0.000 peak  1130 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.808 ppm2      6.752 CV     1
 ASSI { 1138}
   (( segid "    " and resid 148  and name HB2 ))
   (( segid "    " and resid 148  and name HD2 ))
      6.000     4.500     0.000 peak  1138 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.255 ppm2      7.011 CV     1
 ASSI { 1140}
   (( segid "    " and resid 148  and name HB1 ))
   (( segid "    " and resid 150  and name HN  ))
      6.000     4.500     0.000 peak  1140 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.193 ppm2      7.873 CV     1
 ASSI { 1141}
   (( segid "    " and resid 148  and name HB1 ))
   (( segid "    " and resid 148  and name HN  ))
      6.000     4.500     0.000 peak  1141 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.189 ppm2      7.578 CV     1
 ASSI { 1143}
   (( segid "    " and resid 148  and name HB1 ))
   (( segid "    " and resid 148  and name HD2 ))
      6.000     4.500     0.000 peak  1143 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.192 ppm2      6.999 CV     1
 ASSI { 1145}
   (( segid "    " and resid 50   and name HB1 ))
   (( segid "    " and resid 10   and name HD21))
      6.000     4.500     0.000 peak  1145 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.023 ppm2      6.864 CV     1
 OR { 1145}
   (( segid "    " and resid 50   and name HB2 ))
   (( segid "    " and resid 10   and name HD21))
 ASSI { 1147}
   (( segid "    " and resid 141  and name HB2 ))
   (( segid "    " and resid 142  and name HN  ))
      6.000     4.500     0.000 peak  1147 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.876 ppm2      9.267 CV     1
 ASSI { 1148}
   (( segid "    " and resid 141  and name HB2 ))
   (( segid "    " and resid 141  and name HN  ))
      6.000     4.500     0.000 peak  1148 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.874 ppm2      8.002 CV     1
 ASSI { 1149}
   (( segid "    " and resid 141  and name HB2 ))
   (  segid "    " and resid 137  and name HD% )
      6.000     4.500     0.000 peak  1149 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.881 ppm2      7.332 CV     1
 ASSI { 1151}
   (( segid "    " and resid 141  and name HB1 ))
   (( segid "    " and resid 142  and name HN  ))
      6.000     4.500     0.000 peak  1151 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.775 ppm2      9.265 CV     1
 ASSI { 1152}
   (( segid "    " and resid 141  and name HB1 ))
   (( segid "    " and resid 140  and name HN  ))
      6.000     4.500     0.000 peak  1152 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.778 ppm2      8.370 CV     1
 ASSI { 1153}
   (( segid "    " and resid 141  and name HB1 ))
   (( segid "    " and resid 141  and name HN  ))
      6.000     4.500     0.000 peak  1153 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.778 ppm2      7.998 CV     1
 ASSI { 1154}
   (( segid "    " and resid 88   and name HB2 ))
   (( segid "    " and resid 89   and name HN  ))
      6.000     4.500     0.000 peak  1154 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.683 ppm2      9.332 CV     1
 ASSI { 1162}
   (( segid "    " and resid 66   and name HB2 ))
   (( segid "    " and resid 67   and name HN  ))
      6.000     4.500     0.000 peak  1162 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.285 ppm2      8.730 CV     1
 ASSI { 1165}
   (( segid "    " and resid 66   and name HB1 ))
   (  segid "    " and resid 101  and name HD% )
      6.000     4.500     0.000 peak  1165 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.552 ppm2      7.027 CV     1
 ASSI { 1180}
   (( segid "    " and resid 61   and name HB2 ))
   (( segid "    " and resid 61   and name HN  ))
      6.000     4.500     0.000 peak  1180 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.761 ppm2      8.813 CV     1
 ASSI { 1183}
   (( segid "    " and resid 61   and name HB1 ))
   (( segid "    " and resid 32   and name HN  ))
      6.000     4.500     0.000 peak  1183 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.309 ppm2      8.998 CV     1
 ASSI { 1184}
   (( segid "    " and resid 66   and name HB1 ))
   (( segid "    " and resid 67   and name HN  ))
      6.000     4.500     0.000 peak  1184 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.552 ppm2      8.726 CV     1
 ASSI { 1185}
   (( segid "    " and resid 158  and name HB2 ))
   (( segid "    " and resid 158  and name HN  ))
      6.000     4.500     0.000 peak  1185 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.075 ppm2      8.666 CV     1
 ASSI { 1186}
   (( segid "    " and resid 158  and name HB2 ))
   (( segid "    " and resid 158  and name HE3 ))
      6.000     4.500     0.000 peak  1186 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.075 ppm2      7.425 CV     1
 ASSI { 1187}
   (( segid "    " and resid 158  and name HB2 ))
   (( segid "    " and resid 158  and name HD1 ))
      6.000     4.500     0.000 peak  1187 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.072 ppm2      7.270 CV     1
 ASSI { 1189}
   (( segid "    " and resid 158  and name HB1 ))
   (( segid "    " and resid 158  and name HE3 ))
      6.000     4.500     0.000 peak  1189 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.769 ppm2      7.415 CV     1
 ASSI { 1190}
   (( segid "    " and resid 158  and name HB1 ))
   (( segid "    " and resid 158  and name HD1 ))
      6.000     4.500     0.000 peak  1190 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.767 ppm2      7.265 CV     1
 ASSI { 1193}
   (( segid "    " and resid 68   and name HB1 ))
   (( segid "    " and resid 67   and name HN  ))
      6.000     4.500     0.000 peak  1193 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.299 ppm2      8.711 CV     1
 OR { 1193}
   (( segid "    " and resid 68   and name HB2 ))
   (( segid "    " and resid 67   and name HN  ))
 ASSI { 1194}
   (( segid "    " and resid 68   and name HB1 ))
   (( segid "    " and resid 65   and name HN  ))
      6.000     4.500     0.000 peak  1194 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.280 ppm2      8.396 CV     1
 OR { 1194}
   (( segid "    " and resid 68   and name HB2 ))
   (( segid "    " and resid 65   and name HN  ))
 ASSI { 1196}
   (( segid "    " and resid 68   and name HB1 ))
   (( segid "    " and resid 68   and name HN  ))
      6.000     4.500     0.000 peak  1196 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.283 ppm2      6.888 CV     1
 OR { 1196}
   (( segid "    " and resid 68   and name HB2 ))
   (( segid "    " and resid 68   and name HN  ))
 ASSI { 1202}
   (( segid "    " and resid 61   and name HB2 ))
   (( segid "    " and resid 32   and name HN  ))
      6.000     4.500     0.000 peak  1202 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.764 ppm2      8.998 CV     1
 ASSI { 1203}
   (( segid "    " and resid 61   and name HB1 ))
   (( segid "    " and resid 62   and name HN  ))
      6.000     4.500     0.000 peak  1203 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.308 ppm2      9.212 CV     1
 ASSI { 1204}
   (( segid "    " and resid 61   and name HB1 ))
   (( segid "    " and resid 61   and name HN  ))
      6.000     4.500     0.000 peak  1204 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.312 ppm2      8.816 CV     1
 ASSI { 1208}
   (( segid "    " and resid 16   and name HB1 ))
   (( segid "    " and resid 17   and name HN  ))
      6.000     4.500     0.000 peak  1208 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.170 ppm2      8.179 CV     1
 ASSI { 1212}
   (( segid "    " and resid 150  and name HB2 ))
   (( segid "    " and resid 150  and name HN  ))
      6.000     4.500     0.000 peak  1212 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.264 ppm2      7.852 CV     1
 ASSI { 1213}
   (( segid "    " and resid 150  and name HB2 ))
   (( segid "    " and resid 151  and name HN  ))
      6.000     4.500     0.000 peak  1213 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.266 ppm2      7.526 CV     1
 ASSI { 1214}
   (( segid "    " and resid 150  and name HB2 ))
   (  segid "    " and resid 152  and name HD% )
      6.000     4.500     0.000 peak  1214 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.267 ppm2      7.049 CV     1
 ASSI { 1219}
   (( segid "    " and resid 75   and name HB2 ))
   (( segid "    " and resid 75   and name HN  ))
      6.000     4.500     0.000 peak  1219 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.345 ppm2      7.723 CV     1
 ASSI { 1220}
   (( segid "    " and resid 75   and name HB2 ))
   (( segid "    " and resid 77   and name HN  ))
      6.000     4.500     0.000 peak  1220 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.336 ppm2      8.059 CV     1
 ASSI { 1224}
   (( segid "    " and resid 75   and name HB1 ))
   (( segid "    " and resid 77   and name HN  ))
      6.000     4.500     0.000 peak  1224 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.903 ppm2      8.040 CV     1
 ASSI { 1225}
   (( segid "    " and resid 75   and name HB1 ))
   (( segid "    " and resid 75   and name HN  ))
      6.000     4.500     0.000 peak  1225 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.910 ppm2      7.720 CV     1
 ASSI { 1226}
   (( segid "    " and resid 23   and name HD2 ))
   (( segid "    " and resid 23   and name HN  ))
      6.000     4.500     0.000 peak  1226 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.698 ppm2      7.427 CV     1
 ASSI { 1227}
   (( segid "    " and resid 33   and name HG12))
   (( segid "    " and resid 34   and name HN  ))
      6.000     4.500     0.000 peak  1227 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.597 ppm2      9.183 CV     1
 OR { 1227}
   (( segid "    " and resid 33   and name HG11))
   (( segid "    " and resid 34   and name HN  ))
 ASSI { 1235}
   (( segid "    " and resid 76   and name HG12))
   (( segid "    " and resid 77   and name HN  ))
      6.000     4.500     0.000 peak  1235 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.115 ppm2      8.042 CV     1
 OR { 1235}
   (( segid "    " and resid 76   and name HG11))
   (( segid "    " and resid 77   and name HN  ))
 ASSI { 1238}
   (( segid "    " and resid 23   and name HD2 ))
   (( segid "    " and resid 24   and name HN  ))
      6.000     4.500     0.000 peak  1238 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.701 ppm2      7.924 CV     1
 ASSI { 1240}
   (( segid "    " and resid 33   and name HG12))
   (( segid "    " and resid 61   and name HN  ))
      6.000     4.500     0.000 peak  1240 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.612 ppm2      8.790 CV     1
 OR { 1240}
   (( segid "    " and resid 33   and name HG11))
   (( segid "    " and resid 61   and name HN  ))
 ASSI { 1248}
   (( segid "    " and resid 145  and name HB1 ))
   (( segid "    " and resid 142  and name HN  ))
      6.000     4.500     0.000 peak  1248 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.327 ppm2      9.263 CV     1
 OR { 1248}
   (( segid "    " and resid 145  and name HB2 ))
   (( segid "    " and resid 142  and name HN  ))
 ASSI { 1250}
   (( segid "    " and resid 134  and name HB2 ))
   (( segid "    " and resid 134  and name HN  ))
      6.000     4.500     0.000 peak  1250 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.317 ppm2      8.293 CV     1
 ASSI { 1251}
   (( segid "    " and resid 44   and name HG2 ))
   (( segid "    " and resid 50   and name HN  ))
      6.000     4.500     0.000 peak  1251 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.195 ppm2      7.812 CV     1
 OR { 1251}
   (( segid "    " and resid 44   and name HG1 ))
   (( segid "    " and resid 50   and name HN  ))
 ASSI { 1256}
   (( segid "    " and resid 98   and name HG12))
   (( segid "    " and resid 99   and name HN  ))
      6.000     4.500     0.000 peak  1256 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.874 ppm2      9.599 CV     1
 ASSI { 1258}
   (( segid "    " and resid 146  and name HG12))
   (( segid "    " and resid 146  and name HN  ))
      6.000     4.500     0.000 peak  1258 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.600 ppm2      7.867 CV     1
 ASSI { 1261}
   (( segid "    " and resid 98   and name HG11))
   (( segid "    " and resid 98   and name HN  ))
      6.000     4.500     0.000 peak  1261 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.991 ppm2     11.158 CV     1
 ASSI { 1262}
   (( segid "    " and resid 98   and name HG11))
   (( segid "    " and resid 99   and name HN  ))
      6.000     4.500     0.000 peak  1262 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.994 ppm2      9.601 CV     1
 ASSI { 1264}
   (( segid "    " and resid 79   and name HB2 ))
   (( segid "    " and resid 80   and name HN  ))
      6.000     4.500     0.000 peak  1264 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.370 ppm2      7.653 CV     1
 ASSI { 1265}
   (( segid "    " and resid 127  and name HG2 ))
   (  segid "    " and resid 40   and name HD% )
      6.000     4.500     0.000 peak  1265 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.058 ppm2      7.046 CV     1
 ASSI { 1266}
   (( segid "    " and resid 127  and name HG2 ))
   (( segid "    " and resid 126  and name HD1 ))
      6.000     4.500     0.000 peak  1266 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.052 ppm2      6.729 CV     1
 ASSI { 1267}
   (( segid "    " and resid 127  and name HG2 ))
   (( segid "    " and resid 128  and name HN  ))
      6.000     4.500     0.000 peak  1267 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.052 ppm2      6.571 CV     1
 ASSI { 1273}
   (( segid "    " and resid 127  and name HG1 ))
   (( segid "    " and resid 126  and name HD1 ))
      6.000     4.500     0.000 peak  1273 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.578 ppm2      6.746 CV     1
 ASSI { 1277}
   (( segid "    " and resid 79   and name HB2 ))
   (( segid "    " and resid 79   and name HN  ))
      6.000     4.500     0.000 peak  1277 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.368 ppm2      8.794 CV     1
 ASSI { 1278}
   (( segid "    " and resid 79   and name HB2 ))
   (( segid "    " and resid 79   and name HE21))
      6.000     4.500     0.000 peak  1278 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.366 ppm2      7.804 CV     1
 ASSI { 1279}
   (( segid "    " and resid 79   and name HB1 ))
   (( segid "    " and resid 79   and name HN  ))
      6.000     4.500     0.000 peak  1279 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.282 ppm2      8.795 CV     1
 ASSI { 1281}
   (( segid "    " and resid 79   and name HB1 ))
   (( segid "    " and resid 80   and name HN  ))
      6.000     4.500     0.000 peak  1281 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.271 ppm2      7.669 CV     1
 ASSI { 1286}
   (( segid "    " and resid 127  and name HG2 ))
   (( segid "    " and resid 56   and name HN  ))
      6.000     4.500     0.000 peak  1286 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.048 ppm2      8.916 CV     1
 ASSI { 1289}
   (( segid "    " and resid 144  and name HG2 ))
   (( segid "    " and resid 144  and name HN  ))
      6.000     4.500     0.000 peak  1289 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.634 ppm2      9.595 CV     1
 ASSI { 1292}
   (( segid "    " and resid 14   and name HG1 ))
   (( segid "    " and resid 10   and name HN  ))
      6.000     4.500     0.000 peak  1292 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.476 ppm2      8.457 CV     1
 ASSI { 1300}
   (( segid "    " and resid 126  and name HB2 ))
   (( segid "    " and resid 126  and name HD1 ))
      6.000     4.500     0.000 peak  1300 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.122 ppm2      6.728 CV     1
 ASSI { 1306}
   (( segid "    " and resid 80   and name HB2 ))
   (( segid "    " and resid 80   and name HE22))
      6.000     4.500     0.000 peak  1306 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.875 ppm2      7.446 CV     1
 ASSI { 1308}
   (( segid "    " and resid 17   and name HB1 ))
   (( segid "    " and resid 80   and name HE22))
      6.000     4.500     0.000 peak  1308 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.167 ppm2      7.472 CV     1
 OR { 1308}
   (( segid "    " and resid 17   and name HB2 ))
   (( segid "    " and resid 80   and name HE22))
 ASSI { 1313}
   (( segid "    " and resid 74   and name HB1 ))
   (( segid "    " and resid 74   and name HN  ))
      6.000     4.500     0.000 peak  1313 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.932 ppm2      8.921 CV     1
 ASSI { 1314}
   (( segid "    " and resid 74   and name HB1 ))
   (( segid "    " and resid 75   and name HN  ))
      6.000     4.500     0.000 peak  1314 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.922 ppm2      7.720 CV     1
 ASSI { 1316}
   (( segid "    " and resid 22   and name HG  ))
   (( segid "    " and resid 23   and name HN  ))
      6.000     4.500     0.000 peak  1316 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.909 ppm2      7.436 CV     1
 ASSI { 1317}
   (( segid "    " and resid 80   and name HB1 ))
   (( segid "    " and resid 79   and name HN  ))
      6.000     4.500     0.000 peak  1317 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.802 ppm2      8.797 CV     1
 ASSI { 1318}
   (( segid "    " and resid 133  and name HG2 ))
   (( segid "    " and resid 134  and name HN  ))
      6.000     4.500     0.000 peak  1318 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.800 ppm2      8.282 CV     1
 OR { 1318}
   (( segid "    " and resid 133  and name HG1 ))
   (( segid "    " and resid 134  and name HN  ))
 ASSI { 1319}
   (( segid "    " and resid 80   and name HB1 ))
   (( segid "    " and resid 78   and name HN  ))
      6.000     4.500     0.000 peak  1319 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.804 ppm2      7.979 CV     1
 ASSI { 1321}
   (( segid "    " and resid 80   and name HB1 ))
   (( segid "    " and resid 80   and name HE22))
      6.000     4.500     0.000 peak  1321 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.785 ppm2      7.451 CV     1
 ASSI { 1323}
   (( segid "    " and resid 150  and name HG2 ))
   (( segid "    " and resid 147  and name HN  ))
      6.000     4.500     0.000 peak  1323 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.507 ppm2      7.487 CV     1
 ASSI { 1324}
   (( segid "    " and resid 150  and name HG1 ))
   (( segid "    " and resid 152  and name HN  ))
      6.000     4.500     0.000 peak  1324 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.462 ppm2      7.196 CV     1
 ASSI { 1327}
   (( segid "    " and resid 70   and name HG  ))
   (( segid "    " and resid 74   and name HE22))
      6.000     4.500     0.000 peak  1327 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.346 ppm2      7.129 CV     1
 ASSI { 1335}
   (  segid "    " and resid 60   and name HD1%)
   (( segid "    " and resid 60   and name HN  ))
      6.000     4.500     0.000 peak  1335 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.746 ppm2      9.312 CV     1
 ASSI { 1336}
   (  segid "    " and resid 60   and name HD1%)
   (( segid "    " and resid 33   and name HN  ))
      6.000     4.500     0.000 peak  1336 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.746 ppm2      9.211 CV     1
 ASSI { 1337}
   (  segid "    " and resid 60   and name HD1%)
   (( segid "    " and resid 32   and name HN  ))
      6.000     4.500     0.000 peak  1337 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.743 ppm2      9.003 CV     1
 ASSI { 1339}
   (( segid "    " and resid 126  and name HB2 ))
   (( segid "    " and resid 126  and name HE3 ))
      6.000     4.500     0.000 peak  1339 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.131 ppm2      7.805 CV     1
 ASSI { 1340}
   (( segid "    " and resid 30   and name HB2 ))
   (( segid "    " and resid 30   and name HN  ))
      6.000     4.500     0.000 peak  1340 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.416 ppm2      8.918 CV     1
 ASSI { 1341}
   (( segid "    " and resid 30   and name HB2 ))
   (( segid "    " and resid 63   and name HN  ))
      6.000     4.500     0.000 peak  1341 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.416 ppm2      8.251 CV     1
 ASSI { 1344}
   (( segid "    " and resid 17   and name HB2 ))
   (( segid "    " and resid 17   and name HN  ))
      6.000     4.500     0.000 peak  1344 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.168 ppm2      8.167 CV     1
 OR { 1344}
   (( segid "    " and resid 17   and name HB1 ))
   (( segid "    " and resid 17   and name HN  ))
 ASSI { 1347}
   (( segid "    " and resid 150  and name HG2 ))
   (( segid "    " and resid 150  and name HN  ))
      6.000     4.500     0.000 peak  1347 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.513 ppm2      7.851 CV     1
 ASSI { 1348}
   (( segid "    " and resid 150  and name HG2 ))
   (( segid "    " and resid 149  and name HN  ))
      6.000     4.500     0.000 peak  1348 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.503 ppm2      8.383 CV     1
 ASSI { 1350}
   (( segid "    " and resid 150  and name HG1 ))
   (( segid "    " and resid 121  and name HN  ))
      6.000     4.500     0.000 peak  1350 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.448 ppm2      6.994 CV     1
 ASSI { 1355}
   (  segid "    " and resid 64   and name HD2%)
   (( segid "    " and resid 65   and name HN  ))
      6.000     4.500     0.000 peak  1355 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.707 ppm2      8.396 CV     1
 OR { 1355}
   (  segid "    " and resid 64   and name HD1%)
   (( segid "    " and resid 65   and name HN  ))
 ASSI { 1357}
   (( segid "    " and resid 89   and name HB1 ))
   (( segid "    " and resid 89   and name HE3 ))
      6.000     4.500     0.000 peak  1357 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.570 ppm2      7.617 CV     1
 OR { 1357}
   (( segid "    " and resid 89   and name HB2 ))
   (( segid "    " and resid 89   and name HE3 ))
 ASSI { 1359}
   (( segid "    " and resid 75   and name HG2 ))
   (( segid "    " and resid 76   and name HN  ))
      6.000     4.500     0.000 peak  1359 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.696 ppm2      8.039 CV     1
 ASSI { 1367}
   (( segid "    " and resid 150  and name HG2 ))
   (  segid "    " and resid 152  and name HD% )
      6.000     4.500     0.000 peak  1367 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.501 ppm2      7.033 CV     1
 ASSI { 1369}
   (( segid "    " and resid 92   and name HG1 ))
   (( segid "    " and resid 83   and name HN  ))
      6.000     4.500     0.000 peak  1369 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.382 ppm2      8.217 CV     1
 ASSI { 1371}
   (( segid "    " and resid 60   and name HG  ))
   (( segid "    " and resid 32   and name HN  ))
      6.000     4.500     0.000 peak  1371 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.305 ppm2      9.002 CV     1
 ASSI { 1372}
   (( segid "    " and resid 135  and name HG  ))
   (( segid "    " and resid 135  and name HN  ))
      6.000     4.500     0.000 peak  1372 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.265 ppm2      7.212 CV     1
 ASSI { 1375}
   (  segid "    " and resid 96   and name HD2%)
   (( segid "    " and resid 96   and name HA  ))
      6.000     4.500     0.000 peak  1375 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.145 ppm2      5.376 CV     1
 OR { 1375}
   (  segid "    " and resid 96   and name HD1%)
   (( segid "    " and resid 96   and name HA  ))
 ASSI { 1376}
   (  segid "    " and resid 96   and name HD2%)
   (( segid "    " and resid 96   and name HN  ))
      6.000     4.500     0.000 peak  1376 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.144 ppm2     10.650 CV     1
 ASSI { 1380}
   (  segid "    " and resid 64   and name HD1%)
   (( segid "    " and resid 69   and name HN  ))
      6.000     4.500     0.000 peak  1380 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.708 ppm2      8.232 CV     1
 OR { 1380}
   (  segid "    " and resid 64   and name HD2%)
   (( segid "    " and resid 69   and name HN  ))
 ASSI { 1381}
   (  segid "    " and resid 64   and name HD1%)
   (( segid "    " and resid 72   and name HD2 ))
      6.000     4.500     0.000 peak  1381 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.708 ppm2      7.233 CV     1
 ASSI { 1382}
   (  segid "    " and resid 70   and name HD2%)
   (( segid "    " and resid 74   and name HE21))
      6.000     4.500     0.000 peak  1382 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.495 ppm2      8.229 CV     1
 ASSI { 1392}
   (( segid "    " and resid 114  and name HG2 ))
   (  segid "    " and resid 137  and name HD% )
      6.000     4.500     0.000 peak  1392 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.478 ppm2      7.333 CV     1
 ASSI { 1394}
   (( segid "    " and resid 66   and name HG2 ))
   (( segid "    " and resid 67   and name HN  ))
      6.000     4.500     0.000 peak  1394 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.742 ppm2      8.733 CV     1
 ASSI { 1396}
   (( segid "    " and resid 75   and name HG2 ))
   (( segid "    " and resid 75   and name HN  ))
      6.000     4.500     0.000 peak  1396 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.720 ppm2      7.720 CV     1
 ASSI { 1397}
   (( segid "    " and resid 75   and name HG1 ))
   (( segid "    " and resid 75   and name HN  ))
      6.000     4.500     0.000 peak  1397 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.592 ppm2      7.721 CV     1
 ASSI { 1409}
   (  segid "    " and resid 96   and name HD2%)
   (( segid "    " and resid 74   and name HE22))
      6.000     4.500     0.000 peak  1409 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.138 ppm2      7.101 CV     1
 OR { 1409}
   (  segid "    " and resid 96   and name HD1%)
   (( segid "    " and resid 74   and name HE22))
 ASSI { 1411}
   (  segid "    " and resid 69   and name HD1%)
   (  segid "    " and resid 101  and name HD% )
      6.000     4.500     0.000 peak  1411 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.022 ppm2      7.039 CV     1
 ASSI { 1416}
   (  segid "    " and resid 34   and name HD2%)
   (( segid "    " and resid 34   and name HN  ))
      6.000     4.500     0.000 peak  1416 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.815 ppm2      9.187 CV     1
 OR { 1416}
   (  segid "    " and resid 34   and name HD1%)
   (( segid "    " and resid 34   and name HN  ))
 ASSI { 1418}
   (  segid "    " and resid 34   and name HD2%)
   (( segid "    " and resid 61   and name HN  ))
      6.000     4.500     0.000 peak  1418 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.813 ppm2      8.794 CV     1
 OR { 1418}
   (  segid "    " and resid 34   and name HD1%)
   (( segid "    " and resid 61   and name HN  ))
 ASSI { 1419}
   (  segid "    " and resid 34   and name HD1%)
   (( segid "    " and resid 35   and name HN  ))
      6.000     4.500     0.000 peak  1419 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.812 ppm2      7.317 CV     1
 ASSI { 1420}
   (( segid "    " and resid 66   and name HG1 ))
   (  segid "    " and resid 101  and name HD% )
      6.000     4.500     0.000 peak  1420 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.797 ppm2      7.032 CV     1
 ASSI { 1422}
   (  segid "    " and resid 128  and name HD2%)
   (( segid "    " and resid 129  and name HN  ))
      6.000     4.500     0.000 peak  1422 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.588 ppm2      8.670 CV     1
 OR { 1422}
   (  segid "    " and resid 128  and name HD1%)
   (( segid "    " and resid 129  and name HN  ))
 ASSI { 1424}
   (  segid "    " and resid 128  and name HD1%)
   (  segid "    " and resid 4    and name HD% )
      6.000     4.500     0.000 peak  1424 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.588 ppm2      6.821 CV     1
 OR { 1424}
   (  segid "    " and resid 128  and name HD2%)
   (  segid "    " and resid 4    and name HD% )
 ASSI { 1427}
   (  segid "    " and resid 155  and name HD1%)
   (( segid "    " and resid 126  and name HD1 ))
      6.000     4.500     0.000 peak  1427 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.503 ppm2      6.728 CV     1
 OR { 1427}
   (  segid "    " and resid 155  and name HD2%)
   (( segid "    " and resid 126  and name HD1 ))
 ASSI { 1429}
   (( segid "    " and resid 157  and name HG1 ))
   (( segid "    " and resid 158  and name HN  ))
      6.000     4.500     0.000 peak  1429 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.304 ppm2      8.670 CV     1
 ASSI { 1443}
   (  segid "    " and resid 135  and name HD1%)
   (  segid "    " and resid 4    and name HD% )
      6.000     4.500     0.000 peak  1443 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.379 ppm2      6.834 CV     1
 ASSI { 1445}
   (  segid "    " and resid 111  and name HD2%)
   (( segid "    " and resid 112  and name HN  ))
      6.000     4.500     0.000 peak  1445 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.329 ppm2      9.772 CV     1
 ASSI { 1449}
   (  segid "    " and resid 135  and name HD2%)
   (  segid "    " and resid 137  and name HD% )
      6.000     4.500     0.000 peak  1449 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.117 ppm2      7.334 CV     1
 ASSI { 1453}
   (  segid "    " and resid 135  and name HD2%)
   (  segid "    " and resid 4    and name HD% )
      6.000     4.500     0.000 peak  1453 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.113 ppm2      6.825 CV     1
 ASSI { 1467}
   (( segid "    " and resid 143  and name HG  ))
   (( segid "    " and resid 129  and name HN  ))
      6.000     4.500     0.000 peak  1467 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.968 ppm2      8.683 CV     1
 ASSI { 1468}
   (( segid "    " and resid 143  and name HG  ))
   (( segid "    " and resid 143  and name HN  ))
      6.000     4.500     0.000 peak  1468 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.967 ppm2      8.435 CV     1
 ASSI { 1469}
   (( segid "    " and resid 143  and name HG  ))
   (  segid "    " and resid 129  and name HD% )
      6.000     4.500     0.000 peak  1469 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.965 ppm2      7.188 CV     1
 ASSI { 1477}
   (  segid "    " and resid 54   and name HD2%)
   (( segid "    " and resid 54   and name HN  ))
      6.000     4.500     0.000 peak  1477 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1     -0.631 ppm2      8.585 CV     1
 OR { 1477}
   (  segid "    " and resid 54   and name HD1%)
   (( segid "    " and resid 54   and name HN  ))
 ASSI { 1478}
   (  segid "    " and resid 54   and name HD1%)
   (( segid "    " and resid 15   and name HN  ))
      6.000     4.500     0.000 peak  1478 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1     -0.633 ppm2      8.175 CV     1
 ASSI { 1479}
   (  segid "    " and resid 54   and name HD1%)
   (( segid "    " and resid 158  and name HE3 ))
      6.000     4.500     0.000 peak  1479 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1     -0.631 ppm2      7.427 CV     1
 OR { 1479}
   (  segid "    " and resid 54   and name HD2%)
   (( segid "    " and resid 158  and name HE3 ))
 ASSI { 1480}
   (  segid "    " and resid 54   and name HD1%)
   (( segid "    " and resid 158  and name HD1 ))
      6.000     4.500     0.000 peak  1480 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1     -0.632 ppm2      7.272 CV     1
 ASSI { 1482}
   (  segid "    " and resid 54   and name HD1%)
   (  segid "    " and resid 39   and name HD% )
      6.000     4.500     0.000 peak  1482 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1     -0.631 ppm2      6.965 CV     1
 ASSI { 1486}
   (( segid "    " and resid 23   and name HG2 ))
   (( segid "    " and resid 23   and name HN  ))
      6.000     4.500     0.000 peak  1486 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.558 ppm2      7.422 CV     1
 ASSI { 1487}
   (( segid "    " and resid 23   and name HG1 ))
   (( segid "    " and resid 24   and name HN  ))
      6.000     4.500     0.000 peak  1487 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.460 ppm2      7.934 CV     1
 ASSI { 1488}
   (( segid "    " and resid 23   and name HG1 ))
   (( segid "    " and resid 23   and name HN  ))
      6.000     4.500     0.000 peak  1488 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.451 ppm2      7.436 CV     1
 ASSI { 1493}
   (  segid "    " and resid 100  and name HD1%)
   (( segid "    " and resid 100  and name HN  ))
      6.000     4.500     0.000 peak  1493 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.075 ppm2      7.525 CV     1
 ASSI { 1494}
   (  segid "    " and resid 100  and name HD1%)
   (  segid "    " and resid 137  and name HD% )
      6.000     4.500     0.000 peak  1494 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.078 ppm2      7.328 CV     1
 ASSI { 1496}
   (  segid "    " and resid 100  and name HD1%)
   (  segid "    " and resid 4    and name HD% )
      6.000     4.500     0.000 peak  1496 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.078 ppm2      6.831 CV     1
 ASSI { 1497}
   (  segid "    " and resid 100  and name HD1%)
   (( segid "    " and resid 114  and name HA  ))
      6.000     4.500     0.000 peak  1497 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.076 ppm2      5.465 CV     1
 ASSI { 1498}
   (( segid "    " and resid 143  and name HG  ))
   (( segid "    " and resid 147  and name HN  ))
      6.000     4.500     0.000 peak  1498 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.968 ppm2      7.436 CV     1
 ASSI { 1499}
   (( segid "    " and resid 121  and name HG1 ))
   (( segid "    " and resid 121  and name HN  ))
      6.000     4.500     0.000 peak  1499 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.730 ppm2      6.992 CV     1
 ASSI { 1500}
   (  segid "    " and resid 147  and name HD1%)
   (( segid "    " and resid 147  and name HN  ))
      6.000     4.500     0.000 peak  1500 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1     -0.457 ppm2      7.451 CV     1
 ASSI { 1502}
   (  segid "    " and resid 147  and name HD1%)
   (( segid "    " and resid 126  and name HE3 ))
      6.000     4.500     0.000 peak  1502 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1     -0.462 ppm2      7.822 CV     1
 ASSI { 1503}
   (  segid "    " and resid 147  and name HD1%)
   (  segid "    " and resid 129  and name HD% )
      6.000     4.500     0.000 peak  1503 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1     -0.458 ppm2      7.183 CV     1
 ASSI { 1505}
   (  segid "    " and resid 25   and name HD2%)
   (( segid "    " and resid 25   and name HN  ))
      6.000     4.500     0.000 peak  1505 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.850 ppm2      9.338 CV     1
 OR { 1505}
   (  segid "    " and resid 25   and name HD1%)
   (( segid "    " and resid 25   and name HN  ))
 ASSI { 1510}
   (  segid "    " and resid 22   and name HD2%)
   (( segid "    " and resid 23   and name HN  ))
      6.000     4.500     0.000 peak  1510 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.903 ppm2      7.411 CV     1
 ASSI { 1515}
   (  segid "    " and resid 22   and name HD2%)
   (( segid "    " and resid 22   and name HN  ))
      6.000     4.500     0.000 peak  1515 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.874 ppm2      8.512 CV     1
 ASSI { 1519}
   (  segid "    " and resid 56   and name HB% )
   (( segid "    " and resid 38   and name HN  ))
      6.000     4.500     0.000 peak  1519 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.433 ppm2      9.307 CV     1
 ASSI { 1523}
   (  segid "    " and resid 56   and name HB% )
   (( segid "    " and resid 57   and name HN  ))
      6.000     4.500     0.000 peak  1523 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.420 ppm2      9.502 CV     1
 ASSI { 1527}
   (  segid "    " and resid 56   and name HB% )
   (  segid "    " and resid 39   and name HD% )
      6.000     4.500     0.000 peak  1527 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.421 ppm2      6.984 CV     1
 ASSI { 1529}
   (  segid "    " and resid 56   and name HB% )
   (( segid "    " and resid 55   and name HA  ))
      6.000     4.500     0.000 peak  1529 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.420 ppm2      6.213 CV     1
 ASSI { 1530}
   (  segid "    " and resid 56   and name HB% )
   (( segid "    " and resid 57   and name HA  ))
      6.000     4.500     0.000 peak  1530 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.423 ppm2      5.683 CV     1
 ASSI { 1532}
   (  segid "    " and resid 93   and name HG2%)
   (( segid "    " and resid 11   and name HN  ))
      6.000     4.500     0.000 peak  1532 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.224 ppm2      6.992 CV     1
 ASSI { 1533}
   (  segid "    " and resid 93   and name HG2%)
   (( segid "    " and resid 93   and name HN  ))
      6.000     4.500     0.000 peak  1533 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.218 ppm2      8.756 CV     1
 ASSI { 1534}
   (  segid "    " and resid 93   and name HG2%)
   (( segid "    " and resid 12   and name HN  ))
      6.000     4.500     0.000 peak  1534 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.218 ppm2      8.179 CV     1
 ASSI { 1536}
   (  segid "    " and resid 93   and name HG2%)
   (( segid "    " and resid 17   and name HE22))
      6.000     4.500     0.000 peak  1536 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.218 ppm2      6.853 CV     1
 ASSI { 1542}
   (  segid "    " and resid 18   and name HG2%)
   (( segid "    " and resid 18   and name HN  ))
      6.000     4.500     0.000 peak  1542 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.638 ppm2      8.733 CV     1
 ASSI { 1545}
   (  segid "    " and resid 111  and name HD1%)
   (( segid "    " and resid 112  and name HN  ))
      6.000     4.500     0.000 peak  1545 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.380 ppm2      9.767 CV     1
 ASSI { 1547}
   (  segid "    " and resid 111  and name HD1%)
   (( segid "    " and resid 67   and name HN  ))
      6.000     4.500     0.000 peak  1547 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.380 ppm2      8.726 CV     1
 ASSI { 1549}
   (  segid "    " and resid 111  and name HD1%)
   (( segid "    " and resid 111  and name HN  ))
      6.000     4.500     0.000 peak  1549 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.381 ppm2      7.657 CV     1
 ASSI { 1554}
   (  segid "    " and resid 18   and name HG2%)
   (  segid "    " and resid 39   and name HD% )
      6.000     4.500     0.000 peak  1554 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.634 ppm2      6.957 CV     1
 ASSI { 1558}
   (  segid "    " and resid 69   and name HD2%)
   (( segid "    " and resid 69   and name HN  ))
      6.000     4.500     0.000 peak  1558 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.942 ppm2      8.227 CV     1
 ASSI { 1561}
   (  segid "    " and resid 70   and name HD1%)
   (( segid "    " and resid 74   and name HE21))
      6.000     4.500     0.000 peak  1561 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.721 ppm2      8.216 CV     1
 ASSI { 1565}
   (( segid "    " and resid 128  and name HG  ))
   (  segid "    " and resid 4    and name HD% )
      6.000     4.500     0.000 peak  1565 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.308 ppm2      6.839 CV     1
 ASSI { 1567}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 5    and name HN  ))
      6.000     4.500     0.000 peak  1567 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.016 ppm2      9.501 CV     1
 ASSI { 1571}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 60   and name HN  ))
      6.000     4.500     0.000 peak  1571 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.012 ppm2      9.333 CV     1
 OR { 1571}
   (  segid "    " and resid 58   and name HG1%)
   (( segid "    " and resid 60   and name HN  ))
 ASSI { 1572}
   (  segid "    " and resid 58   and name HG1%)
   (( segid "    " and resid 37   and name HN  ))
      6.000     4.500     0.000 peak  1572 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.013 ppm2      9.117 CV     1
 ASSI { 1573}
   (  segid "    " and resid 69   and name HD2%)
   (( segid "    " and resid 73   and name HN  ))
      6.000     4.500     0.000 peak  1573 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.944 ppm2      9.351 CV     1
 ASSI { 1575}
   (  segid "    " and resid 94   and name HD2%)
   (( segid "    " and resid 80   and name HE22))
      6.000     4.500     0.000 peak  1575 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.871 ppm2      7.445 CV     1
 OR { 1575}
   (  segid "    " and resid 94   and name HD1%)
   (( segid "    " and resid 80   and name HE22))
 ASSI { 1576}
   (  segid "    " and resid 94   and name HD2%)
   (( segid "    " and resid 21   and name HN  ))
      6.000     4.500     0.000 peak  1576 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.863 ppm2      8.505 CV     1
 OR { 1576}
   (  segid "    " and resid 94   and name HD1%)
   (( segid "    " and resid 21   and name HN  ))
 ASSI { 1583}
   (  segid "    " and resid 70   and name HD1%)
   (( segid "    " and resid 71   and name HN  ))
      6.000     4.500     0.000 peak  1583 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.721 ppm2      7.798 CV     1
 ASSI { 1587}
   (  segid "    " and resid 76   and name HD1%)
   (( segid "    " and resid 79   and name HE21))
      6.000     4.500     0.000 peak  1587 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.887 ppm2      7.780 CV     1
 ASSI { 1590}
   (  segid "    " and resid 113  and name HG1%)
   (( segid "    " and resid 112  and name HA  ))
      6.000     4.500     0.000 peak  1590 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.878 ppm2      5.266 CV     1
 ASSI { 1591}
   (  segid "    " and resid 94   and name HD1%)
   (( segid "    " and resid 95   and name HN  ))
      6.000     4.500     0.000 peak  1591 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.857 ppm2      9.184 CV     1
 ASSI { 1597}
   (  segid "    " and resid 57   and name HB% )
   (( segid "    " and resid 57   and name HN  ))
      6.000     4.500     0.000 peak  1597 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.360 ppm2      9.503 CV     1
 ASSI { 1600}
   (  segid "    " and resid 57   and name HB% )
   (( segid "    " and resid 128  and name HN  ))
      6.000     4.500     0.000 peak  1600 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.362 ppm2      6.581 CV     1
 ASSI { 1608}
   (  segid "    " and resid 36   and name HG1%)
   (( segid "    " and resid 36   and name HN  ))
      6.000     4.500     0.000 peak  1608 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.119 ppm2      8.307 CV     1
 ASSI { 1615}
   (  segid "    " and resid 2    and name HG2%)
   (( segid "    " and resid 2    and name HN  ))
      6.000     4.500     0.000 peak  1615 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.775 ppm2      8.763 CV     1
 ASSI { 1616}
   (( segid "    " and resid 64   and name HG  ))
   (( segid "    " and resid 64   and name HN  ))
      6.000     4.500     0.000 peak  1616 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.770 ppm2      8.540 CV     1
 ASSI { 1618}
   (( segid "    " and resid 64   and name HG  ))
   (( segid "    " and resid 63   and name HN  ))
      6.000     4.500     0.000 peak  1618 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.770 ppm2      8.241 CV     1
 ASSI { 1619}
   (( segid "    " and resid 64   and name HG  ))
   (( segid "    " and resid 72   and name HD2 ))
      6.000     4.500     0.000 peak  1619 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.772 ppm2      7.236 CV     1
 ASSI { 1633}
   (( segid "    " and resid 54   and name HG  ))
   (( segid "    " and resid 158  and name HE3 ))
      6.000     4.500     0.000 peak  1633 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.244 ppm2      7.432 CV     1
 ASSI { 1635}
   (( segid "    " and resid 54   and name HG  ))
   (  segid "    " and resid 39   and name HD% )
      6.000     4.500     0.000 peak  1635 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.239 ppm2      6.969 CV     1
 ASSI { 1641}
   (  segid "    " and resid 147  and name HD2%)
   (( segid "    " and resid 147  and name HN  ))
      6.000     4.500     0.000 peak  1641 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1     -0.569 ppm2      7.441 CV     1
 ASSI { 1642}
   (  segid "    " and resid 147  and name HD2%)
   (  segid "    " and resid 152  and name HD% )
      6.000     4.500     0.000 peak  1642 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1     -0.568 ppm2      7.065 CV     1
 ASSI { 1643}
   (  segid "    " and resid 149  and name HG2%)
   (( segid "    " and resid 150  and name HN  ))
      6.000     4.500     0.000 peak  1643 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.278 ppm2      7.853 CV     1
 ASSI { 1647}
   (  segid "    " and resid 59   and name HB% )
   (  segid "    " and resid 4    and name HD% )
      6.000     4.500     0.000 peak  1647 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.259 ppm2      6.839 CV     1
 ASSI { 1664}
   (  segid "    " and resid 136  and name HG1%)
   (( segid "    " and resid 136  and name HN  ))
      6.000     4.500     0.000 peak  1664 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.058 ppm2      8.393 CV     1
 OR { 1664}
   (  segid "    " and resid 136  and name HG2%)
   (( segid "    " and resid 136  and name HN  ))
 ASSI { 1673}
   (  segid "    " and resid 147  and name HD2%)
   (( segid "    " and resid 126  and name HE3 ))
      6.000     4.500     0.000 peak  1673 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1     -0.569 ppm2      7.833 CV     1
 ASSI { 1680}
   (  segid "    " and resid 113  and name HG2%)
   (  segid "    " and resid 101  and name HD% )
      6.000     4.500     0.000 peak  1680 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.183 ppm2      7.038 CV     1
 ASSI { 1682}
   (  segid "    " and resid 105  and name HG1%)
   (( segid "    " and resid 107  and name HD21))
      6.000     4.500     0.000 peak  1682 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.052 ppm2      7.812 CV     1
 ASSI { 1683}
   (  segid "    " and resid 105  and name HG1%)
   (( segid "    " and resid 107  and name HD22))
      6.000     4.500     0.000 peak  1683 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.051 ppm2      6.806 CV     1
 ASSI { 1684}
   (  segid "    " and resid 105  and name HG2%)
   (( segid "    " and resid 105  and name HN  ))
      6.000     4.500     0.000 peak  1684 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.035 ppm2      8.188 CV     1
 OR { 1684}
   (  segid "    " and resid 105  and name HG1%)
   (( segid "    " and resid 105  and name HN  ))
 ASSI { 1688}
   (( segid "    " and resid 155  and name HG  ))
   (( segid "    " and resid 155  and name HN  ))
      6.000     4.500     0.000 peak  1688 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.786 ppm2      7.695 CV     1
 ASSI { 1689}
   (( segid "    " and resid 155  and name HG  ))
   (  segid "    " and resid 40   and name HD% )
      6.000     4.500     0.000 peak  1689 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.788 ppm2      7.050 CV     1
 ASSI { 1690}
   (( segid "    " and resid 155  and name HG  ))
   (( segid "    " and resid 126  and name HD1 ))
      6.000     4.500     0.000 peak  1690 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.785 ppm2      6.732 CV     1
 ASSI { 1691}
   (( segid "    " and resid 1    and name HG21))
   (( segid "    " and resid 103  and name HN  ))
      6.000     4.500     0.000 peak  1691 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.560 ppm2      9.255 CV     1
 ASSI { 1693}
   (( segid "    " and resid 1    and name HG21))
   (( segid "    " and resid 102  and name HN  ))
      6.000     4.500     0.000 peak  1693 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.559 ppm2      8.410 CV     1
 ASSI { 1696}
   (( segid "    " and resid 1    and name HG21))
   (  segid "    " and resid 101  and name HD% )
      6.000     4.500     0.000 peak  1696 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.559 ppm2      7.046 CV     1
 ASSI { 1700}
   (  segid "    " and resid 112  and name HG2%)
   (( segid "    " and resid 113  and name HN  ))
      6.000     4.500     0.000 peak  1700 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.465 ppm2      9.392 CV     1
 ASSI { 1704}
   (  segid "    " and resid 112  and name HG2%)
   (  segid "    " and resid 116  and name HD% )
      6.000     4.500     0.000 peak  1704 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.465 ppm2      6.657 CV     1
 ASSI { 1709}
   (  segid "    " and resid 3    and name HB% )
   (( segid "    " and resid 4    and name HN  ))
      6.000     4.500     0.000 peak  1709 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.228 ppm2      8.655 CV     1
 ASSI { 1710}
   (  segid "    " and resid 3    and name HB% )
   (  segid "    " and resid 101  and name HD% )
      6.000     4.500     0.000 peak  1710 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.229 ppm2      7.036 CV     1
 ASSI { 1713}
   (  segid "    " and resid 136  and name HG2%)
   (  segid "    " and resid 137  and name HD% )
      6.000     4.500     0.000 peak  1713 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.031 ppm2      7.342 CV     1
 OR { 1713}
   (  segid "    " and resid 136  and name HG1%)
   (  segid "    " and resid 137  and name HD% )
 ASSI { 1715}
   (  segid "    " and resid 36   and name HG2%)
   (( segid "    " and resid 37   and name HN  ))
      6.000     4.500     0.000 peak  1715 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.358 ppm2      9.137 CV     1
 ASSI { 1716}
   (  segid "    " and resid 36   and name HG2%)
   (( segid "    " and resid 59   and name HN  ))
      6.000     4.500     0.000 peak  1716 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.358 ppm2      8.529 CV     1
 ASSI { 1717}
   (  segid "    " and resid 36   and name HG2%)
   (( segid "    " and resid 36   and name HN  ))
      6.000     4.500     0.000 peak  1717 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.359 ppm2      8.301 CV     1
 ASSI { 1726}
   (  segid "    " and resid 2    and name HG1%)
   (  segid "    " and resid 4    and name HD% )
      6.000     4.500     0.000 peak  1726 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.135 ppm2      6.838 CV     1
 ASSI { 1734}
   (  segid "    " and resid 86   and name HB% )
   (( segid "    " and resid 86   and name HN  ))
      6.000     4.500     0.000 peak  1734 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.451 ppm2      7.748 CV     1
 ASSI { 1735}
   (  segid "    " and resid 24   and name HB% )
   (( segid "    " and resid 25   and name HN  ))
      6.000     4.500     0.000 peak  1735 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.578 ppm2      9.344 CV     1
 ASSI { 1756}
   (  segid "    " and resid 132  and name HB% )
   (( segid "    " and resid 135  and name HN  ))
      6.000     4.500     0.000 peak  1756 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.020 ppm2      7.228 CV     1
 ASSI { 1760}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 95   and name HN  ))
      6.000     4.500     0.000 peak  1760 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.789 ppm2      9.215 CV     1
 ASSI { 1766}
   (  segid "    " and resid 62   and name HG2%)
   (( segid "    " and resid 64   and name HN  ))
      6.000     4.500     0.000 peak  1766 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.112 ppm2      8.556 CV     1
 ASSI { 1771}
   (  segid "    " and resid 62   and name HG2%)
   (  segid "    " and resid 101  and name HD% )
      6.000     4.500     0.000 peak  1771 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.112 ppm2      7.049 CV     1
 ASSI { 1777}
   (  segid "    " and resid 106  and name HG2%)
   (( segid "    " and resid 108  and name HN  ))
      6.000     4.500     0.000 peak  1777 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.946 ppm2      8.988 CV     1
 ASSI { 1780}
   (  segid "    " and resid 131  and name HG2%)
   (( segid "    " and resid 37   and name HN  ))
      6.000     4.500     0.000 peak  1780 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.845 ppm2      9.146 CV     1
 ASSI { 1805}
   (  segid "    " and resid 76   and name HG2%)
   (( segid "    " and resid 22   and name HN  ))
      6.000     4.500     0.000 peak  1805 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.838 ppm2      8.515 CV     1
 ASSI { 1806}
   (  segid "    " and resid 76   and name HG2%)
   (( segid "    " and resid 77   and name HN  ))
      6.000     4.500     0.000 peak  1806 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.834 ppm2      8.042 CV     1
 ASSI { 1812}
   (  segid "    " and resid 11   and name HD2%)
   (( segid "    " and resid 11   and name HN  ))
      6.000     4.500     0.000 peak  1812 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.750 ppm2      6.980 CV     1
 OR { 1812}
   (  segid "    " and resid 11   and name HD1%)
   (( segid "    " and resid 11   and name HN  ))
 ASSI { 1813}
   (  segid "    " and resid 11   and name HD2%)
   (( segid "    " and resid 10   and name HD21))
      6.000     4.500     0.000 peak  1813 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.748 ppm2      6.839 CV     1
 OR { 1813}
   (  segid "    " and resid 11   and name HD1%)
   (( segid "    " and resid 10   and name HD21))
 ASSI { 1819}
   (  segid "    " and resid 65   and name HB% )
   (( segid "    " and resid 67   and name HN  ))
      6.000     4.500     0.000 peak  1819 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.457 ppm2      8.733 CV     1
 ASSI { 1823}
   (  segid "    " and resid 65   and name HB% )
   (( segid "    " and resid 68   and name HN  ))
      6.000     4.500     0.000 peak  1823 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.457 ppm2      6.882 CV     1
 ASSI { 1825}
   (  segid "    " and resid 5    and name HG2%)
   (( segid "    " and resid 6    and name HN  ))
      6.000     4.500     0.000 peak  1825 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.863 ppm2     10.002 CV     1
 ASSI { 1826}
   (  segid "    " and resid 5    and name HG2%)
   (( segid "    " and resid 5    and name HN  ))
      6.000     4.500     0.000 peak  1826 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.862 ppm2      9.506 CV     1
 ASSI { 1827}
   (  segid "    " and resid 5    and name HG2%)
   (( segid "    " and resid 97   and name HN  ))
      6.000     4.500     0.000 peak  1827 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.862 ppm2      9.008 CV     1
 ASSI { 1830}
   (  segid "    " and resid 76   and name HG2%)
   (( segid "    " and resid 80   and name HE22))
      6.000     4.500     0.000 peak  1830 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.826 ppm2      7.434 CV     1
 ASSI { 1832}
   (  segid "    " and resid 33   and name HG2%)
   (( segid "    " and resid 34   and name HN  ))
      6.000     4.500     0.000 peak  1832 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.780 ppm2      9.180 CV     1
 ASSI { 1833}
   (  segid "    " and resid 33   and name HG2%)
   (( segid "    " and resid 59   and name HN  ))
      6.000     4.500     0.000 peak  1833 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.780 ppm2      8.535 CV     1
 ASSI { 1834}
   (  segid "    " and resid 33   and name HG2%)
   (( segid "    " and resid 36   and name HN  ))
      6.000     4.500     0.000 peak  1834 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.780 ppm2      8.301 CV     1
 ASSI { 1835}
   (  segid "    " and resid 33   and name HG2%)
   (( segid "    " and resid 35   and name HN  ))
      6.000     4.500     0.000 peak  1835 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.779 ppm2      7.339 CV     1
 ASSI { 1846}
   (  segid "    " and resid 20   and name HB% )
   (( segid "    " and resid 21   and name HN  ))
      6.000     4.500     0.000 peak  1846 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.452 ppm2      8.478 CV     1
 ASSI { 1847}
   (  segid "    " and resid 20   and name HB% )
   (( segid "    " and resid 20   and name HN  ))
      6.000     4.500     0.000 peak  1847 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.452 ppm2      8.139 CV     1
 ASSI { 1850}
   (  segid "    " and resid 28   and name HG2%)
   (( segid "    " and resid 72   and name HN  ))
      6.000     4.500     0.000 peak  1850 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.604 ppm2      7.805 CV     1
 ASSI { 1851}
   (  segid "    " and resid 28   and name HG2%)
   (( segid "    " and resid 28   and name HN  ))
      6.000     4.500     0.000 peak  1851 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.606 ppm2      7.189 CV     1
 ASSI { 1856}
   (  segid "    " and resid 12   and name HB% )
   (( segid "    " and resid 17   and name HE22))
      6.000     4.500     0.000 peak  1856 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.249 ppm2      6.852 CV     1
 ASSI { 1859}
   (  segid "    " and resid 151  and name HB% )
   (( segid "    " and resid 151  and name HN  ))
      6.000     4.500     0.000 peak  1859 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.209 ppm2      7.525 CV     1
 ASSI { 1869}
   (  segid "    " and resid 131  and name HD1%)
   (( segid "    " and resid 59   and name HN  ))
      6.000     4.500     0.000 peak  1869 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.886 ppm2      8.533 CV     1
 ASSI { 1870}
   (  segid "    " and resid 131  and name HD1%)
   (( segid "    " and resid 132  and name HN  ))
      6.000     4.500     0.000 peak  1870 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.887 ppm2      8.315 CV     1
 ASSI { 1872}
   (  segid "    " and resid 131  and name HD1%)
   (  segid "    " and resid 4    and name HD% )
      6.000     4.500     0.000 peak  1872 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.885 ppm2      6.838 CV     1
 ASSI { 1873}
   (  segid "    " and resid 131  and name HD1%)
   (( segid "    " and resid 128  and name HN  ))
      6.000     4.500     0.000 peak  1873 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.885 ppm2      6.589 CV     1
 ASSI { 1874}
   (  segid "    " and resid 131  and name HD1%)
   (( segid "    " and resid 57   and name HA  ))
      6.000     4.500     0.000 peak  1874 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.886 ppm2      5.660 CV     1
 ASSI { 1879}
   (  segid "    " and resid 28   and name HD1%)
   (( segid "    " and resid 28   and name HN  ))
      6.000     4.500     0.000 peak  1879 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.813 ppm2      7.173 CV     1
 ASSI { 1880}
   (  segid "    " and resid 7    and name HD1%)
   (( segid "    " and resid 7    and name HN  ))
      6.000     4.500     0.000 peak  1880 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.684 ppm2      8.979 CV     1
 ASSI { 1887}
   (  segid "    " and resid 7    and name HD1%)
   (( segid "    " and resid 5    and name HN  ))
      6.000     4.500     0.000 peak  1887 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.684 ppm2      9.521 CV     1
 ASSI { 1889}
   (  segid "    " and resid 7    and name HD1%)
   (( segid "    " and resid 8    and name HN  ))
      6.000     4.500     0.000 peak  1889 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.685 ppm2      8.727 CV     1
 ASSI { 1897}
   (  segid "    " and resid 106  and name HD1%)
   (  segid "    " and resid 101  and name HD% )
      6.000     4.500     0.000 peak  1897 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.640 ppm2      7.033 CV     1
 ASSI { 1898}
   (  segid "    " and resid 33   and name HD1%)
   (( segid "    " and resid 25   and name HN  ))
      6.000     4.500     0.000 peak  1898 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.912 ppm2      9.338 CV     1
 ASSI { 1899}
   (  segid "    " and resid 33   and name HD1%)
   (( segid "    " and resid 34   and name HN  ))
      6.000     4.500     0.000 peak  1899 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.910 ppm2      9.182 CV     1
 ASSI { 1900}
   (  segid "    " and resid 33   and name HD1%)
   (( segid "    " and resid 26   and name HN  ))
      6.000     4.500     0.000 peak  1900 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.913 ppm2      7.498 CV     1
 ASSI { 1901}
   (  segid "    " and resid 33   and name HD1%)
   (( segid "    " and resid 35   and name HN  ))
      6.000     4.500     0.000 peak  1901 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.911 ppm2      7.340 CV     1
 ASSI { 1902}
   (  segid "    " and resid 98   and name HG2%)
   (( segid "    " and resid 99   and name HN  ))
      6.000     4.500     0.000 peak  1902 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.821 ppm2      9.596 CV     1
 ASSI { 1905}
   (  segid "    " and resid 98   and name HG2%)
   (  segid "    " and resid 101  and name HD% )
      6.000     4.500     0.000 peak  1905 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.816 ppm2      7.049 CV     1
 ASSI { 1907}
   (( segid "    " and resid 112  and name HB  ))
   (  segid "    " and resid 112  and name HG2%)
      6.000     4.500     0.000 peak  1907 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.375 ppm2      1.469 CV     1
 ASSI { 1909}
   (( segid "    " and resid 62   and name HB  ))
   (( segid "    " and resid 64   and name HB1 ))
      6.000     4.500     0.000 peak  1909 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.833 ppm2      1.506 CV     1
 ASSI { 1911}
   (( segid "    " and resid 62   and name HB  ))
   (  segid "    " and resid 62   and name HG2%)
      6.000     4.500     0.000 peak  1911 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.835 ppm2      1.110 CV     1
 ASSI { 1915}
   (( segid "    " and resid 35   and name HB  ))
   (( segid "    " and resid 131  and name HB  ))
      6.000     4.500     0.000 peak  1915 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.120 ppm2      2.146 CV     1
 ASSI { 1919}
   (( segid "    " and resid 35   and name HB  ))
   (  segid "    " and resid 35   and name HG2%)
      6.000     4.500     0.000 peak  1919 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.122 ppm2      1.272 CV     1
 ASSI { 1920}
   (( segid "    " and resid 35   and name HB  ))
   (  segid "    " and resid 36   and name HG1%)
      6.000     4.500     0.000 peak  1920 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.120 ppm2      1.113 CV     1
 ASSI { 1922}
   (( segid "    " and resid 35   and name HB  ))
   (  segid "    " and resid 131  and name HG2%)
      6.000     4.500     0.000 peak  1922 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.122 ppm2      0.855 CV     1
 ASSI { 1923}
   (( segid "    " and resid 149  and name HB  ))
   (( segid "    " and resid 149  and name HA  ))
      6.000     4.500     0.000 peak  1923 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.197 ppm2      4.035 CV     1
 ASSI { 1925}
   (( segid "    " and resid 149  and name HB  ))
   (( segid "    " and resid 150  and name HG1 ))
      6.000     4.500     0.000 peak  1925 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.200 ppm2      1.433 CV     1
 ASSI { 1926}
   (( segid "    " and resid 149  and name HB  ))
   (  segid "    " and resid 149  and name HG2%)
      6.000     4.500     0.000 peak  1926 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.197 ppm2      1.275 CV     1
 ASSI { 1927}
   (( segid "    " and resid 1    and name HB  ))
   (( segid "    " and resid 66   and name HD1 ))
      6.000     4.500     0.000 peak  1927 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.556 ppm2      3.414 CV     1
 ASSI { 1928}
   (( segid "    " and resid 1    and name HB  ))
   (( segid "    " and resid 1    and name HG21))
      6.000     4.500     0.000 peak  1928 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.555 ppm2      0.558 CV     1
 ASSI { 1929}
   (( segid "    " and resid 1    and name HB  ))
   (  segid "    " and resid 62   and name HG2%)
      6.000     4.500     0.000 peak  1929 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.551 ppm2      1.112 CV     1
 ASSI { 1930}
   (( segid "    " and resid 42   and name HB  ))
   (( segid "    " and resid 43   and name HD2 ))
      6.000     4.500     0.000 peak  1930 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.376 ppm2      3.828 CV     1
 OR { 1930}
   (( segid "    " and resid 42   and name HB  ))
   (( segid "    " and resid 43   and name HD1 ))
 ASSI { 1932}
   (( segid "    " and resid 93   and name HB  ))
   (( segid "    " and resid 17   and name HG1 ))
      6.000     4.500     0.000 peak  1932 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.123 ppm2      2.641 CV     1
 ASSI { 1933}
   (( segid "    " and resid 93   and name HB  ))
   (  segid "    " and resid 93   and name HG2%)
      6.000     4.500     0.000 peak  1933 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.120 ppm2      1.217 CV     1
 ASSI { 1937}
   (( segid "    " and resid 31   and name HB1 ))
   (( segid "    " and resid 62   and name HB  ))
      6.000     4.500     0.000 peak  1937 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.598 ppm2      3.835 CV     1
 OR { 1937}
   (( segid "    " and resid 31   and name HB2 ))
   (( segid "    " and resid 62   and name HB  ))
 ASSI { 1938}
   (( segid "    " and resid 31   and name HB1 ))
   (( segid "    " and resid 60   and name HG  ))
      6.000     4.500     0.000 peak  1938 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.594 ppm2      1.291 CV     1
 OR { 1938}
   (( segid "    " and resid 31   and name HB2 ))
   (( segid "    " and resid 60   and name HG  ))
 ASSI { 1939}
   (( segid "    " and resid 31   and name HB1 ))
   (  segid "    " and resid 62   and name HG2%)
      6.000     4.500     0.000 peak  1939 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.588 ppm2      1.101 CV     1
 OR { 1939}
   (( segid "    " and resid 31   and name HB2 ))
   (  segid "    " and resid 62   and name HG2%)
 ASSI { 1940}
   (( segid "    " and resid 31   and name HB1 ))
   (  segid "    " and resid 60   and name HD2%)
      6.000     4.500     0.000 peak  1940 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.591 ppm2      0.705 CV     1
 OR { 1940}
   (( segid "    " and resid 31   and name HB2 ))
   (  segid "    " and resid 60   and name HD2%)
 ASSI { 1944}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 21   and name HA  ))
      6.000     4.500     0.000 peak  1944 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.431 ppm2      4.131 CV     1
 ASSI { 1945}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 17   and name HB2 ))
      6.000     4.500     0.000 peak  1945 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.432 ppm2      2.151 CV     1
 OR { 1945}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 17   and name HB1 ))
 ASSI { 1949}
   (( segid "    " and resid 18   and name HA  ))
   (  segid "    " and resid 18   and name HG2%)
      6.000     4.500     0.000 peak  1949 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.432 ppm2      0.641 CV     1
 ASSI { 1950}
   (( segid "    " and resid 18   and name HA  ))
   (  segid "    " and resid 18   and name HG1%)
      6.000     4.500     0.000 peak  1950 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.431 ppm2      0.237 CV     1
 ASSI { 1951}
   (( segid "    " and resid 73   and name HB  ))
   (( segid "    " and resid 73   and name HA  ))
      6.000     4.500     0.000 peak  1951 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.960 ppm2      4.320 CV     1
 ASSI { 1952}
   (( segid "    " and resid 73   and name HB  ))
   (( segid "    " and resid 76   and name HG12))
      6.000     4.500     0.000 peak  1952 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.959 ppm2      2.134 CV     1
 OR { 1952}
   (( segid "    " and resid 73   and name HB  ))
   (( segid "    " and resid 76   and name HG11))
 ASSI { 1953}
   (( segid "    " and resid 73   and name HB  ))
   (( segid "    " and resid 76   and name HB  ))
      6.000     4.500     0.000 peak  1953 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.959 ppm2      1.861 CV     1
 ASSI { 1954}
   (( segid "    " and resid 73   and name HB  ))
   (  segid "    " and resid 73   and name HG2%)
      6.000     4.500     0.000 peak  1954 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.964 ppm2      1.092 CV     1
 ASSI { 1958}
   (( segid "    " and resid 73   and name HA  ))
   (  segid "    " and resid 73   and name HG2%)
      6.000     4.500     0.000 peak  1958 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.311 ppm2      1.089 CV     1
 ASSI { 1961}
   (( segid "    " and resid 73   and name HA  ))
   (  segid "    " and resid 60   and name HD2%)
      6.000     4.500     0.000 peak  1961 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.306 ppm2      0.726 CV     1
 ASSI { 1966}
   (( segid "    " and resid 66   and name HA  ))
   (( segid "    " and resid 69   and name HB2 ))
      6.000     4.500     0.000 peak  1966 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.362 ppm2      2.211 CV     1
 ASSI { 1967}
   (( segid "    " and resid 66   and name HA  ))
   (( segid "    " and resid 66   and name HG2 ))
      6.000     4.500     0.000 peak  1967 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.363 ppm2      1.740 CV     1
 ASSI { 1968}
   (( segid "    " and resid 66   and name HA  ))
   (  segid "    " and resid 65   and name HB% )
      6.000     4.500     0.000 peak  1968 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.362 ppm2      1.443 CV     1
 ASSI { 1969}
   (( segid "    " and resid 66   and name HA  ))
   (  segid "    " and resid 111  and name HD1%)
      6.000     4.500     0.000 peak  1969 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.356 ppm2      0.362 CV     1
 ASSI { 1970}
   (( segid "    " and resid 76   and name HA  ))
   (  segid "    " and resid 24   and name HB% )
      6.000     4.500     0.000 peak  1970 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.598 ppm2      1.581 CV     1
 ASSI { 1974}
   (( segid "    " and resid 66   and name HA  ))
   (( segid "    " and resid 66   and name HB2 ))
      6.000     4.500     0.000 peak  1974 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.360 ppm2      1.290 CV     1
 ASSI { 1975}
   (( segid "    " and resid 66   and name HA  ))
   (( segid "    " and resid 66   and name HG1 ))
      6.000     4.500     0.000 peak  1975 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.362 ppm2      0.782 CV     1
 ASSI { 1976}
   (( segid "    " and resid 66   and name HA  ))
   (( segid "    " and resid 66   and name HB1 ))
      6.000     4.500     0.000 peak  1976 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.360 ppm2      0.557 CV     1
 ASSI { 1977}
   (( segid "    " and resid 66   and name HA  ))
   (( segid "    " and resid 69   and name HG  ))
      6.000     4.500     0.000 peak  1977 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.357 ppm2      1.611 CV     1
 ASSI { 1979}
   (( segid "    " and resid 127  and name HA  ))
   (( segid "    " and resid 127  and name HG1 ))
      6.000     4.500     0.000 peak  1979 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.548 ppm2      1.559 CV     1
 ASSI { 1980}
   (( segid "    " and resid 127  and name HA  ))
   (( segid "    " and resid 127  and name HB2 ))
      6.000     4.500     0.000 peak  1980 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.540 ppm2      2.700 CV     1
 ASSI { 1981}
   (( segid "    " and resid 138  and name HA  ))
   (( segid "    " and resid 138  and name HD1 ))
      6.000     4.500     0.000 peak  1981 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.501 ppm2      4.039 CV     1
 OR { 1981}
   (( segid "    " and resid 138  and name HA  ))
   (( segid "    " and resid 138  and name HD2 ))
 ASSI { 1982}
   (( segid "    " and resid 138  and name HA  ))
   (  segid "    " and resid 105  and name HG2%)
      6.000     4.500     0.000 peak  1982 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.489 ppm2      1.029 CV     1
 ASSI { 1983}
   (( segid "    " and resid 37   and name HB1 ))
   (( segid "    " and resid 37   and name HA  ))
      6.000     4.500     0.000 peak  1983 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.089 ppm2      4.266 CV     1
 ASSI { 1985}
   (( segid "    " and resid 37   and name HB1 ))
   (( segid "    " and resid 127  and name HB2 ))
      6.000     4.500     0.000 peak  1985 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.084 ppm2      2.681 CV     1
 ASSI { 1986}
   (( segid "    " and resid 37   and name HB1 ))
   (  segid "    " and resid 131  and name HG2%)
      6.000     4.500     0.000 peak  1986 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.083 ppm2      0.852 CV     1
 ASSI { 1987}
   (( segid "    " and resid 9    and name HB2 ))
   (( segid "    " and resid 14   and name HB1 ))
      6.000     4.500     0.000 peak  1987 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.894 ppm2      1.889 CV     1
 ASSI { 1988}
   (( segid "    " and resid 9    and name HB2 ))
   (( segid "    " and resid 9    and name HB1 ))
      6.000     4.500     0.000 peak  1988 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.880 ppm2      3.095 CV     1
 ASSI { 1989}
   (( segid "    " and resid 9    and name HB2 ))
   (( segid "    " and resid 17   and name HB2 ))
      6.000     4.500     0.000 peak  1989 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.874 ppm2      2.161 CV     1
 OR { 1989}
   (( segid "    " and resid 9    and name HB2 ))
   (( segid "    " and resid 17   and name HB1 ))
 ASSI { 1990}
   (( segid "    " and resid 9    and name HB2 ))
   (  segid "    " and resid 94   and name HD1%)
      6.000     4.500     0.000 peak  1990 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.874 ppm2      0.872 CV     1
 OR { 1990}
   (( segid "    " and resid 9    and name HB2 ))
   (  segid "    " and resid 94   and name HD2%)
 ASSI { 1991}
   (( segid "    " and resid 9    and name HB2 ))
   (  segid "    " and resid 18   and name HG2%)
      6.000     4.500     0.000 peak  1991 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.872 ppm2      0.637 CV     1
 ASSI { 1992}
   (( segid "    " and resid 9    and name HB2 ))
   (( segid "    " and resid 9    and name HA  ))
      6.000     4.500     0.000 peak  1992 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.864 ppm2      4.154 CV     1
 ASSI { 1994}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 79   and name HG2 ))
      6.000     4.500     0.000 peak  1994 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.596 ppm2      2.667 CV     1
 ASSI { 1995}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 75   and name HB2 ))
      6.000     4.500     0.000 peak  1995 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.599 ppm2      2.314 CV     1
 ASSI { 1996}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 76   and name HG12))
      6.000     4.500     0.000 peak  1996 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.599 ppm2      2.121 CV     1
 OR { 1996}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 76   and name HG11))
 ASSI { 1997}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 76   and name HB  ))
      6.000     4.500     0.000 peak  1997 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.598 ppm2      1.851 CV     1
 ASSI { 2001}
   (( segid "    " and resid 9    and name HB1 ))
   (( segid "    " and resid 9    and name HA  ))
      6.000     4.500     0.000 peak  2001 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.100 ppm2      4.159 CV     1
 ASSI { 2002}
   (( segid "    " and resid 9    and name HB1 ))
   (( segid "    " and resid 17   and name HG1 ))
      6.000     4.500     0.000 peak  2002 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.106 ppm2      2.604 CV     1
 OR { 2002}
   (( segid "    " and resid 9    and name HB1 ))
   (( segid "    " and resid 17   and name HG2 ))
 ASSI { 2003}
   (( segid "    " and resid 9    and name HB1 ))
   (  segid "    " and resid 94   and name HD1%)
      6.000     4.500     0.000 peak  2003 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.103 ppm2      0.888 CV     1
 OR { 2003}
   (( segid "    " and resid 9    and name HB1 ))
   (  segid "    " and resid 94   and name HD2%)
 ASSI { 2006}
   (( segid "    " and resid 9    and name HB1 ))
   (( segid "    " and resid 17   and name HB2 ))
      6.000     4.500     0.000 peak  2006 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.091 ppm2      2.168 CV     1
 OR { 2006}
   (( segid "    " and resid 9    and name HB1 ))
   (( segid "    " and resid 17   and name HB1 ))
 ASSI { 2007}
   (( segid "    " and resid 9    and name HB1 ))
   (( segid "    " and resid 14   and name HB1 ))
      6.000     4.500     0.000 peak  2007 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.096 ppm2      1.889 CV     1
 ASSI { 2009}
   (( segid "    " and resid 9    and name HB1 ))
   (( segid "    " and resid 14   and name HB2 ))
      6.000     4.500     0.000 peak  2009 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.096 ppm2      1.161 CV     1
 ASSI { 2010}
   (( segid "    " and resid 9    and name HB1 ))
   (  segid "    " and resid 18   and name HG2%)
      6.000     4.500     0.000 peak  2010 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.093 ppm2      0.637 CV     1
 ASSI { 2012}
   (( segid "    " and resid 138  and name HA  ))
   (( segid "    " and resid 138  and name HB1 ))
      6.000     4.500     0.000 peak  2012 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.497 ppm2      2.413 CV     1
 ASSI { 2013}
   (( segid "    " and resid 138  and name HA  ))
   (( segid "    " and resid 138  and name HG1 ))
      6.000     4.500     0.000 peak  2013 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.497 ppm2      1.996 CV     1
 OR { 2013}
   (( segid "    " and resid 138  and name HA  ))
   (( segid "    " and resid 138  and name HG2 ))
 ASSI { 2014}
   (( segid "    " and resid 138  and name HA  ))
   (( segid "    " and resid 138  and name HB2 ))
      6.000     4.500     0.000 peak  2014 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.496 ppm2      1.844 CV     1
 ASSI { 2015}
   (( segid "    " and resid 146  and name HA  ))
   (( segid "    " and resid 145  and name HG2 ))
      6.000     4.500     0.000 peak  2015 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.667 ppm2      2.485 CV     1
 ASSI { 2016}
   (( segid "    " and resid 146  and name HA  ))
   (( segid "    " and resid 149  and name HB  ))
      6.000     4.500     0.000 peak  2016 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.657 ppm2      4.202 CV     1
 ASSI { 2018}
   (( segid "    " and resid 146  and name HA  ))
   (( segid "    " and resid 146  and name HG12))
      6.000     4.500     0.000 peak  2018 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.656 ppm2      1.602 CV     1
 ASSI { 2020}
   (( segid "    " and resid 146  and name HA  ))
   (( segid "    " and resid 146  and name HG11))
      6.000     4.500     0.000 peak  2020 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.654 ppm2      0.978 CV     1
 ASSI { 2021}
   (( segid "    " and resid 146  and name HA  ))
   (  segid "    " and resid 146  and name HG2%)
      6.000     4.500     0.000 peak  2021 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.654 ppm2      0.748 CV     1
 ASSI { 2022}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 17   and name HB2 ))
      6.000     4.500     0.000 peak  2022 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.316 ppm2      2.175 CV     1
 OR { 2022}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 17   and name HB1 ))
 ASSI { 2023}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 14   and name HG1 ))
      6.000     4.500     0.000 peak  2023 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.315 ppm2      1.434 CV     1
 ASSI { 2024}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 14   and name HB2 ))
      6.000     4.500     0.000 peak  2024 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.316 ppm2      1.145 CV     1
 ASSI { 2026}
   (( segid "    " and resid 146  and name HA  ))
   (( segid "    " and resid 119  and name HA  ))
      6.000     4.500     0.000 peak  2026 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.650 ppm2      3.790 CV     1
 ASSI { 2028}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 14   and name HD2 ))
      6.000     4.500     0.000 peak  2028 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.328 ppm2      3.716 CV     1
 ASSI { 2029}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 17   and name HG1 ))
      6.000     4.500     0.000 peak  2029 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.326 ppm2      2.648 CV     1
 OR { 2029}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 17   and name HG2 ))
 ASSI { 2030}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 9    and name HB2 ))
      6.000     4.500     0.000 peak  2030 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.317 ppm2      3.884 CV     1
 ASSI { 2031}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 9    and name HB1 ))
      6.000     4.500     0.000 peak  2031 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.314 ppm2      3.087 CV     1
 ASSI { 2032}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 14   and name HB1 ))
      6.000     4.500     0.000 peak  2032 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.314 ppm2      1.873 CV     1
 ASSI { 2033}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 54   and name HB2 ))
      6.000     4.500     0.000 peak  2033 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.316 ppm2      0.957 CV     1
 ASSI { 2034}
   (( segid "    " and resid 14   and name HA  ))
   (  segid "    " and resid 18   and name HG2%)
      6.000     4.500     0.000 peak  2034 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.315 ppm2      0.639 CV     1
 ASSI { 2035}
   (( segid "    " and resid 133  and name HA  ))
   (( segid "    " and resid 129  and name HA  ))
      6.000     4.500     0.000 peak  2035 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.121 ppm2      3.871 CV     1
 ASSI { 2036}
   (( segid "    " and resid 133  and name HA  ))
   (( segid "    " and resid 133  and name HD1 ))
      6.000     4.500     0.000 peak  2036 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.122 ppm2      3.445 CV     1
 ASSI { 2037}
   (( segid "    " and resid 133  and name HA  ))
   (( segid "    " and resid 133  and name HG2 ))
      6.000     4.500     0.000 peak  2037 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.118 ppm2      1.790 CV     1
 OR { 2037}
   (( segid "    " and resid 133  and name HA  ))
   (( segid "    " and resid 133  and name HG1 ))
 ASSI { 2038}
   (( segid "    " and resid 133  and name HA  ))
   (( segid "    " and resid 133  and name HB2 ))
      6.000     4.500     0.000 peak  2038 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.120 ppm2      1.601 CV     1
 ASSI { 2040}
   (( segid "    " and resid 133  and name HA  ))
   (( segid "    " and resid 143  and name HG  ))
      6.000     4.500     0.000 peak  2040 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.121 ppm2      0.981 CV     1
 ASSI { 2045}
   (( segid "    " and resid 149  and name HA  ))
   (  segid "    " and resid 149  and name HG2%)
      6.000     4.500     0.000 peak  2045 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.022 ppm2      1.279 CV     1
 ASSI { 2051}
   (( segid "    " and resid 133  and name HA  ))
   (( segid "    " and resid 133  and name HD2 ))
      6.000     4.500     0.000 peak  2051 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.123 ppm2      3.126 CV     1
 ASSI { 2052}
   (( segid "    " and resid 63   and name HB1 ))
   (( segid "    " and resid 30   and name HB2 ))
      6.000     4.500     0.000 peak  2052 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.099 ppm2      2.418 CV     1
 OR { 2052}
   (( segid "    " and resid 63   and name HB2 ))
   (( segid "    " and resid 30   and name HB2 ))
 ASSI { 2057}
   (( segid "    " and resid 47   and name HA  ))
   (( segid "    " and resid 47   and name HB2 ))
      6.000     4.500     0.000 peak  2057 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.479 ppm2      2.448 CV     1
 ASSI { 2059}
   (( segid "    " and resid 47   and name HA  ))
   (( segid "    " and resid 47   and name HG1 ))
      6.000     4.500     0.000 peak  2059 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.477 ppm2      2.019 CV     1
 ASSI { 2060}
   (( segid "    " and resid 98   and name HA  ))
   (( segid "    " and resid 98   and name HG11))
      6.000     4.500     0.000 peak  2060 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.176 ppm2      0.985 CV     1
 ASSI { 2061}
   (( segid "    " and resid 98   and name HA  ))
   (  segid "    " and resid 98   and name HG2%)
      6.000     4.500     0.000 peak  2061 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.173 ppm2      0.846 CV     1
 ASSI { 2064}
   (( segid "    " and resid 63   and name HB1 ))
   (( segid "    " and resid 30   and name HB1 ))
      6.000     4.500     0.000 peak  2064 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.096 ppm2      2.008 CV     1
 OR { 2064}
   (( segid "    " and resid 63   and name HB2 ))
   (( segid "    " and resid 30   and name HB1 ))
 ASSI { 2065}
   (( segid "    " and resid 63   and name HB1 ))
   (( segid "    " and resid 64   and name HB1 ))
      6.000     4.500     0.000 peak  2065 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.066 ppm2      1.498 CV     1
 OR { 2065}
   (( segid "    " and resid 63   and name HB2 ))
   (( segid "    " and resid 64   and name HB1 ))
 ASSI { 2068}
   (( segid "    " and resid 93   and name HA  ))
   (( segid "    " and resid 92   and name HD2 ))
      6.000     4.500     0.000 peak  2068 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.033 ppm2      3.554 CV     1
 ASSI { 2069}
   (( segid "    " and resid 93   and name HA  ))
   (( segid "    " and resid 17   and name HG1 ))
      6.000     4.500     0.000 peak  2069 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.027 ppm2      2.642 CV     1
 ASSI { 2070}
   (( segid "    " and resid 93   and name HA  ))
   (  segid "    " and resid 11   and name HD2%)
      6.000     4.500     0.000 peak  2070 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.030 ppm2      0.731 CV     1
 ASSI { 2071}
   (( segid "    " and resid 93   and name HA  ))
   (  segid "    " and resid 93   and name HG2%)
      6.000     4.500     0.000 peak  2071 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.014 ppm2      1.221 CV     1
 ASSI { 2072}
   (( segid "    " and resid 93   and name HA  ))
   (( segid "    " and resid 11   and name HB1 ))
      6.000     4.500     0.000 peak  2072 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.019 ppm2      0.959 CV     1
 ASSI { 2074}
   (( segid "    " and resid 29   and name HA  ))
   (( segid "    " and resid 30   and name HA  ))
      6.000     4.500     0.000 peak  2074 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.344 ppm2      3.921 CV     1
 ASSI { 2075}
   (( segid "    " and resid 29   and name HA  ))
   (( segid "    " and resid 29   and name HD2 ))
      6.000     4.500     0.000 peak  2075 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.343 ppm2      3.662 CV     1
 ASSI { 2076}
   (( segid "    " and resid 29   and name HA  ))
   (( segid "    " and resid 29   and name HB2 ))
      6.000     4.500     0.000 peak  2076 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.341 ppm2      2.397 CV     1
 ASSI { 2077}
   (( segid "    " and resid 29   and name HA  ))
   (( segid "    " and resid 29   and name HG2 ))
      6.000     4.500     0.000 peak  2077 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.341 ppm2      2.064 CV     1
 ASSI { 2078}
   (( segid "    " and resid 29   and name HA  ))
   (( segid "    " and resid 29   and name HB1 ))
      6.000     4.500     0.000 peak  2078 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.342 ppm2      1.908 CV     1
 ASSI { 2079}
   (( segid "    " and resid 98   and name HA  ))
   (( segid "    " and resid 99   and name HB1 ))
      6.000     4.500     0.000 peak  2079 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.207 ppm2      2.159 CV     1
 ASSI { 2080}
   (( segid "    " and resid 44   and name HA  ))
   (( segid "    " and resid 44   and name HB1 ))
      6.000     4.500     0.000 peak  2080 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.209 ppm2      1.930 CV     1
 OR { 2080}
   (( segid "    " and resid 44   and name HA  ))
   (( segid "    " and resid 44   and name HB2 ))
 ASSI { 2081}
   (( segid "    " and resid 98   and name HA  ))
   (( segid "    " and resid 5    and name HG12))
      6.000     4.500     0.000 peak  2081 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.198 ppm2      1.593 CV     1
 OR { 2081}
   (( segid "    " and resid 98   and name HA  ))
   (( segid "    " and resid 5    and name HG11))
 ASSI { 2084}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 33   and name HG12))
      6.000     4.500     0.000 peak  2084 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.898 ppm2      1.591 CV     1
 OR { 2084}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 33   and name HG11))
 ASSI { 2087}
   (( segid "    " and resid 2    and name HA  ))
   (  segid "    " and resid 3    and name HB% )
      6.000     4.500     0.000 peak  2087 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.233 ppm2      1.238 CV     1
 ASSI { 2088}
   (( segid "    " and resid 2    and name HA  ))
   (  segid "    " and resid 2    and name HG2%)
      6.000     4.500     0.000 peak  2088 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.231 ppm2      0.777 CV     1
 ASSI { 2089}
   (( segid "    " and resid 2    and name HA  ))
   (  segid "    " and resid 2    and name HG1%)
      6.000     4.500     0.000 peak  2089 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.231 ppm2      0.131 CV     1
 ASSI { 2090}
   (( segid "    " and resid 2    and name HA  ))
   (( segid "    " and resid 2    and name HB  ))
      6.000     4.500     0.000 peak  2090 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.226 ppm2      1.761 CV     1
 ASSI { 2092}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 51   and name HB2 ))
      6.000     4.500     0.000 peak  2092 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.456 ppm2      2.446 CV     1
 ASSI { 2093}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 51   and name HB1 ))
      6.000     4.500     0.000 peak  2093 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.451 ppm2      2.146 CV     1
 ASSI { 2094}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 51   and name HG1 ))
      6.000     4.500     0.000 peak  2094 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.450 ppm2      1.872 CV     1
 ASSI { 2096}
   (( segid "    " and resid 1    and name HA  ))
   (( segid "    " and resid 2    and name HB  ))
      6.000     4.500     0.000 peak  2096 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.637 ppm2      1.763 CV     1
 ASSI { 2097}
   (( segid "    " and resid 1    and name HA  ))
   (  segid "    " and resid 2    and name HG2%)
      6.000     4.500     0.000 peak  2097 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.637 ppm2      0.785 CV     1
 ASSI { 2098}
   (( segid "    " and resid 1    and name HA  ))
   (( segid "    " and resid 1    and name HG21))
      6.000     4.500     0.000 peak  2098 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.638 ppm2      0.558 CV     1
 ASSI { 2100}
   (( segid "    " and resid 83   and name HA  ))
   (  segid "    " and resid 83   and name HG2%)
      6.000     4.500     0.000 peak  2100 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.271 ppm2      0.980 CV     1
 OR { 2100}
   (( segid "    " and resid 83   and name HA  ))
   (  segid "    " and resid 83   and name HG1%)
 ASSI { 2101}
   (( segid "    " and resid 158  and name HA  ))
   (( segid "    " and resid 158  and name HB2 ))
      6.000     4.500     0.000 peak  2101 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.974 ppm2      3.064 CV     1
 ASSI { 2102}
   (( segid "    " and resid 158  and name HA  ))
   (( segid "    " and resid 41   and name HB2 ))
      6.000     4.500     0.000 peak  2102 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.972 ppm2      1.738 CV     1
 OR { 2102}
   (( segid "    " and resid 158  and name HA  ))
   (( segid "    " and resid 41   and name HB1 ))
 ASSI { 2103}
   (( segid "    " and resid 158  and name HA  ))
   (( segid "    " and resid 41   and name HG1 ))
      6.000     4.500     0.000 peak  2103 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.977 ppm2      1.296 CV     1
 ASSI { 2105}
   (( segid "    " and resid 38   and name HB2 ))
   (( segid "    " and resid 157  and name HE2 ))
      6.000     4.500     0.000 peak  2105 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.739 ppm2      2.968 CV     1
 OR { 2105}
   (( segid "    " and resid 38   and name HB2 ))
   (( segid "    " and resid 157  and name HE1 ))
 ASSI { 2106}
   (( segid "    " and resid 38   and name HB2 ))
   (( segid "    " and resid 37   and name HA  ))
      6.000     4.500     0.000 peak  2106 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.732 ppm2      4.270 CV     1
 ASSI { 2108}
   (( segid "    " and resid 38   and name HB1 ))
   (( segid "    " and resid 37   and name HA  ))
      6.000     4.500     0.000 peak  2108 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.537 ppm2      4.269 CV     1
 ASSI { 2109}
   (( segid "    " and resid 38   and name HB1 ))
   (( segid "    " and resid 38   and name HB2 ))
      6.000     4.500     0.000 peak  2109 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.535 ppm2      3.735 CV     1
 ASSI { 2110}
   (( segid "    " and resid 38   and name HB1 ))
   (( segid "    " and resid 157  and name HE2 ))
      6.000     4.500     0.000 peak  2110 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.535 ppm2      2.976 CV     1
 OR { 2110}
   (( segid "    " and resid 38   and name HB1 ))
   (( segid "    " and resid 157  and name HE1 ))
 ASSI { 2111}
   (( segid "    " and resid 38   and name HB1 ))
   (( segid "    " and resid 157  and name HG2 ))
      6.000     4.500     0.000 peak  2111 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.534 ppm2      1.624 CV     1
 ASSI { 2112}
   (( segid "    " and resid 13   and name HB2 ))
   (( segid "    " and resid 13   and name HB1 ))
      6.000     4.500     0.000 peak  2112 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.415 ppm2      4.149 CV     1
 ASSI { 2113}
   (( segid "    " and resid 13   and name HB2 ))
   (( segid "    " and resid 14   and name HD2 ))
      6.000     4.500     0.000 peak  2113 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.417 ppm2      3.703 CV     1
 ASSI { 2115}
   (( segid "    " and resid 13   and name HB2 ))
   (( segid "    " and resid 14   and name HD1 ))
      6.000     4.500     0.000 peak  2115 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.409 ppm2      3.613 CV     1
 ASSI { 2118}
   (( segid "    " and resid 13   and name HB2 ))
   (( segid "    " and resid 15   and name HB2 ))
      6.000     4.500     0.000 peak  2118 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.408 ppm2      1.740 CV     1
 ASSI { 2119}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 75   and name HG1 ))
      6.000     4.500     0.000 peak  2119 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.405 ppm2      1.626 CV     1
 ASSI { 2120}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 72   and name HB2 ))
      6.000     4.500     0.000 peak  2120 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.398 ppm2      3.458 CV     1
 ASSI { 2121}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 72   and name HB1 ))
      6.000     4.500     0.000 peak  2121 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.397 ppm2      2.957 CV     1
 ASSI { 2123}
   (( segid "    " and resid 83   and name HA  ))
   (( segid "    " and resid 82   and name HA  ))
      6.000     4.500     0.000 peak  2123 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.275 ppm2      4.406 CV     1
 ASSI { 2124}
   (( segid "    " and resid 83   and name HA  ))
   (( segid "    " and resid 83   and name HB  ))
      6.000     4.500     0.000 peak  2124 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.273 ppm2      2.117 CV     1
 ASSI { 2127}
   (( segid "    " and resid 13   and name HB1 ))
   (( segid "    " and resid 14   and name HD2 ))
      6.000     4.500     0.000 peak  2127 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.156 ppm2      3.723 CV     1
 ASSI { 2129}
   (( segid "    " and resid 13   and name HB1 ))
   (( segid "    " and resid 16   and name HB2 ))
      6.000     4.500     0.000 peak  2129 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.158 ppm2      2.313 CV     1
 ASSI { 2132}
   (( segid "    " and resid 13   and name HB1 ))
   (( segid "    " and resid 12   and name HA  ))
      6.000     4.500     0.000 peak  2132 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.152 ppm2      3.893 CV     1
 ASSI { 2133}
   (( segid "    " and resid 136  and name HA  ))
   (  segid "    " and resid 136  and name HG2%)
      6.000     4.500     0.000 peak  2133 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.522 ppm2      1.034 CV     1
 OR { 2133}
   (( segid "    " and resid 136  and name HA  ))
   (  segid "    " and resid 136  and name HG1%)
 ASSI { 2134}
   (( segid "    " and resid 136  and name HA  ))
   (( segid "    " and resid 136  and name HB  ))
      6.000     4.500     0.000 peak  2134 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.515 ppm2      1.959 CV     1
 ASSI { 2135}
   (( segid "    " and resid 131  and name HA  ))
   (  segid "    " and resid 59   and name HB% )
      6.000     4.500     0.000 peak  2135 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.506 ppm2      1.275 CV     1
 ASSI { 2136}
   (( segid "    " and resid 131  and name HA  ))
   (  segid "    " and resid 131  and name HG2%)
      6.000     4.500     0.000 peak  2136 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.505 ppm2      0.845 CV     1
 ASSI { 2137}
   (( segid "    " and resid 131  and name HA  ))
   (( segid "    " and resid 131  and name HB  ))
      6.000     4.500     0.000 peak  2137 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.500 ppm2      2.155 CV     1
 ASSI { 2138}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 75   and name HB1 ))
      6.000     4.500     0.000 peak  2138 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.397 ppm2      1.911 CV     1
 ASSI { 2140}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 29   and name HD1 ))
      6.000     4.500     0.000 peak  2140 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.785 ppm2      2.756 CV     1
 ASSI { 2141}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 29   and name HG2 ))
      6.000     4.500     0.000 peak  2141 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.785 ppm2      2.059 CV     1
 ASSI { 2142}
   (( segid "    " and resid 28   and name HA  ))
   (  segid "    " and resid 28   and name HG2%)
      6.000     4.500     0.000 peak  2142 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.785 ppm2      0.606 CV     1
 ASSI { 2144}
   (( segid "    " and resid 106  and name HA  ))
   (  segid "    " and resid 108  and name HG2%)
      6.000     4.500     0.000 peak  2144 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.328 ppm2      1.231 CV     1
 ASSI { 2145}
   (( segid "    " and resid 106  and name HA  ))
   (( segid "    " and resid 106  and name HG12))
      6.000     4.500     0.000 peak  2145 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.324 ppm2      1.077 CV     1
 OR { 2145}
   (( segid "    " and resid 106  and name HA  ))
   (( segid "    " and resid 106  and name HG11))
 ASSI { 2146}
   (( segid "    " and resid 106  and name HA  ))
   (  segid "    " and resid 106  and name HG2%)
      6.000     4.500     0.000 peak  2146 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.324 ppm2      0.944 CV     1
 ASSI { 2147}
   (( segid "    " and resid 106  and name HA  ))
   (  segid "    " and resid 106  and name HD1%)
      6.000     4.500     0.000 peak  2147 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.327 ppm2      0.639 CV     1
 ASSI { 2150}
   (( segid "    " and resid 77   and name HA  ))
   (( segid "    " and resid 77   and name HB2 ))
      6.000     4.500     0.000 peak  2150 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.766 ppm2      2.591 CV     1
 ASSI { 2151}
   (( segid "    " and resid 77   and name HA  ))
   (( segid "    " and resid 77   and name HG1 ))
      6.000     4.500     0.000 peak  2151 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.766 ppm2      1.957 CV     1
 ASSI { 2154}
   (( segid "    " and resid 77   and name HA  ))
   (  segid "    " and resid 96   and name HD2%)
      6.000     4.500     0.000 peak  2154 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.769 ppm2      1.137 CV     1
 ASSI { 2156}
   (( segid "    " and resid 77   and name HA  ))
   (( segid "    " and resid 80   and name HG1 ))
      6.000     4.500     0.000 peak  2156 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.758 ppm2      2.273 CV     1
 ASSI { 2157}
   (( segid "    " and resid 116  and name HA  ))
   (( segid "    " and resid 116  and name HB2 ))
      6.000     4.500     0.000 peak  2157 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.196 ppm2      3.057 CV     1
 ASSI { 2160}
   (( segid "    " and resid 118  and name HA  ))
   (( segid "    " and resid 121  and name HB1 ))
      6.000     4.500     0.000 peak  2160 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.869 ppm2     -0.656 CV     1
 ASSI { 2162}
   (( segid "    " and resid 118  and name HA  ))
   (( segid "    " and resid 118  and name HG1 ))
      6.000     4.500     0.000 peak  2162 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.859 ppm2      3.305 CV     1
 OR { 2162}
   (( segid "    " and resid 118  and name HA  ))
   (( segid "    " and resid 118  and name HG2 ))
 ASSI { 2163}
   (( segid "    " and resid 129  and name HA  ))
   (( segid "    " and resid 129  and name HB2 ))
      6.000     4.500     0.000 peak  2163 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.863 ppm2      3.178 CV     1
 ASSI { 2164}
   (( segid "    " and resid 129  and name HA  ))
   (( segid "    " and resid 129  and name HB1 ))
      6.000     4.500     0.000 peak  2164 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.861 ppm2      2.896 CV     1
 ASSI { 2166}
   (( segid "    " and resid 118  and name HA  ))
   (( segid "    " and resid 124  and name HB2 ))
      6.000     4.500     0.000 peak  2166 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.860 ppm2      2.186 CV     1
 OR { 2166}
   (( segid "    " and resid 118  and name HA  ))
   (( segid "    " and resid 124  and name HB1 ))
 ASSI { 2167}
   (( segid "    " and resid 118  and name HA  ))
   (( segid "    " and resid 118  and name HB2 ))
      6.000     4.500     0.000 peak  2167 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.865 ppm2      1.958 CV     1
 OR { 2167}
   (( segid "    " and resid 118  and name HA  ))
   (( segid "    " and resid 118  and name HB1 ))
 ASSI { 2170}
   (( segid "    " and resid 129  and name HA  ))
   (( segid "    " and resid 143  and name HG  ))
      6.000     4.500     0.000 peak  2170 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.860 ppm2      0.973 CV     1
 ASSI { 2171}
   (( segid "    " and resid 129  and name HA  ))
   (  segid "    " and resid 147  and name HD1%)
      6.000     4.500     0.000 peak  2171 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.856 ppm2     -0.473 CV     1
 ASSI { 2172}
   (( segid "    " and resid 38   and name HA  ))
   (( segid "    " and resid 38   and name HB1 ))
      6.000     4.500     0.000 peak  2172 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.283 ppm2      3.530 CV     1
 ASSI { 2177}
   (( segid "    " and resid 37   and name HA  ))
   (( segid "    " and resid 130  and name HB1 ))
      6.000     4.500     0.000 peak  2177 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.273 ppm2      2.644 CV     1
 ASSI { 2186}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 75   and name HD2 ))
      6.000     4.500     0.000 peak  2186 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.146 ppm2      3.355 CV     1
 ASSI { 2188}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 75   and name HB1 ))
      6.000     4.500     0.000 peak  2188 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.143 ppm2      1.922 CV     1
 ASSI { 2189}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 78   and name HB1 ))
      6.000     4.500     0.000 peak  2189 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.146 ppm2      1.772 CV     1
 ASSI { 2190}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 75   and name HG1 ))
      6.000     4.500     0.000 peak  2190 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.143 ppm2      1.584 CV     1
 ASSI { 2191}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 75   and name HD1 ))
      6.000     4.500     0.000 peak  2191 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.132 ppm2      3.178 CV     1
 ASSI { 2192}
   (( segid "    " and resid 109  and name HA  ))
   (( segid "    " and resid 109  and name HG1 ))
      6.000     4.500     0.000 peak  2192 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.042 ppm2      2.308 CV     1
 ASSI { 2193}
   (( segid "    " and resid 109  and name HA  ))
   (( segid "    " and resid 109  and name HB1 ))
      6.000     4.500     0.000 peak  2193 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.039 ppm2      2.038 CV     1
 OR { 2193}
   (( segid "    " and resid 109  and name HA  ))
   (( segid "    " and resid 109  and name HB2 ))
 ASSI { 2197}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 23   and name HG2 ))
      6.000     4.500     0.000 peak  2197 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.010 ppm2      1.564 CV     1
 ASSI { 2199}
   (( segid "    " and resid 119  and name HA  ))
   (( segid "    " and resid 124  and name HB2 ))
      6.000     4.500     0.000 peak  2199 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.800 ppm2      2.154 CV     1
 OR { 2199}
   (( segid "    " and resid 119  and name HA  ))
   (( segid "    " and resid 124  and name HB1 ))
 ASSI { 2202}
   (( segid "    " and resid 67   and name HA  ))
   (( segid "    " and resid 67   and name HG2 ))
      6.000     4.500     0.000 peak  2202 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.660 ppm2      2.156 CV     1
 ASSI { 2203}
   (( segid "    " and resid 67   and name HA  ))
   (( segid "    " and resid 67   and name HB1 ))
      6.000     4.500     0.000 peak  2203 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.662 ppm2      1.868 CV     1
 OR { 2203}
   (( segid "    " and resid 67   and name HA  ))
   (( segid "    " and resid 67   and name HB2 ))
 ASSI { 2204}
   (( segid "    " and resid 67   and name HA  ))
   (( segid "    " and resid 66   and name HB2 ))
      6.000     4.500     0.000 peak  2204 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.661 ppm2      1.317 CV     1
 ASSI { 2205}
   (( segid "    " and resid 67   and name HA  ))
   (  segid "    " and resid 70   and name HD1%)
      6.000     4.500     0.000 peak  2205 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.661 ppm2      0.746 CV     1
 ASSI { 2207}
   (( segid "    " and resid 67   and name HA  ))
   (  segid "    " and resid 111  and name HD2%)
      6.000     4.500     0.000 peak  2207 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.662 ppm2      0.355 CV     1
 ASSI { 2208}
   (( segid "    " and resid 67   and name HA  ))
   (( segid "    " and resid 66   and name HA  ))
      6.000     4.500     0.000 peak  2208 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.655 ppm2      3.387 CV     1
 ASSI { 2209}
   (( segid "    " and resid 67   and name HA  ))
   (( segid "    " and resid 70   and name HB1 ))
      6.000     4.500     0.000 peak  2209 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.657 ppm2      1.015 CV     1
 ASSI { 2210}
   (( segid "    " and resid 144  and name HA  ))
   (( segid "    " and resid 144  and name HB1 ))
      6.000     4.500     0.000 peak  2210 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.529 ppm2      1.806 CV     1
 ASSI { 2211}
   (( segid "    " and resid 144  and name HA  ))
   (( segid "    " and resid 147  and name HB2 ))
      6.000     4.500     0.000 peak  2211 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.528 ppm2      1.082 CV     1
 ASSI { 2213}
   (( segid "    " and resid 144  and name HA  ))
   (( segid "    " and resid 147  and name HA  ))
      6.000     4.500     0.000 peak  2213 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.526 ppm2      3.659 CV     1
 ASSI { 2214}
   (( segid "    " and resid 144  and name HA  ))
   (( segid "    " and resid 144  and name HD2 ))
      6.000     4.500     0.000 peak  2214 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.525 ppm2      3.386 CV     1
 ASSI { 2215}
   (( segid "    " and resid 144  and name HA  ))
   (( segid "    " and resid 144  and name HD1 ))
      6.000     4.500     0.000 peak  2215 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.525 ppm2      3.269 CV     1
 ASSI { 2216}
   (( segid "    " and resid 144  and name HA  ))
   (( segid "    " and resid 144  and name HB2 ))
      6.000     4.500     0.000 peak  2216 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.527 ppm2      2.128 CV     1
 ASSI { 2218}
   (( segid "    " and resid 144  and name HA  ))
   (( segid "    " and resid 147  and name HB1 ))
      6.000     4.500     0.000 peak  2218 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.522 ppm2      0.666 CV     1
 ASSI { 2219}
   (( segid "    " and resid 144  and name HA  ))
   (  segid "    " and resid 147  and name HD1%)
      6.000     4.500     0.000 peak  2219 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.527 ppm2     -0.461 CV     1
 ASSI { 2222}
   (( segid "    " and resid 113  and name HA  ))
   (  segid "    " and resid 113  and name HG2%)
      6.000     4.500     0.000 peak  2222 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.329 ppm2      1.171 CV     1
 ASSI { 2223}
   (( segid "    " and resid 113  and name HA  ))
   (  segid "    " and resid 113  and name HG1%)
      6.000     4.500     0.000 peak  2223 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.326 ppm2      0.878 CV     1
 ASSI { 2227}
   (( segid "    " and resid 37   and name HA  ))
   (  segid "    " and resid 131  and name HG2%)
      6.000     4.500     0.000 peak  2227 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.270 ppm2      0.853 CV     1
 ASSI { 2230}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 19   and name HB2 ))
      6.000     4.500     0.000 peak  2230 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.108 ppm2      2.858 CV     1
 ASSI { 2231}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 19   and name HB1 ))
      6.000     4.500     0.000 peak  2231 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.103 ppm2      2.694 CV     1
 ASSI { 2232}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 16   and name HG1 ))
      6.000     4.500     0.000 peak  2232 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.106 ppm2      2.337 CV     1
 ASSI { 2233}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 16   and name HB1 ))
      6.000     4.500     0.000 peak  2233 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.106 ppm2      2.172 CV     1
 ASSI { 2234}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 23   and name HD2 ))
      6.000     4.500     0.000 peak  2234 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.007 ppm2      1.702 CV     1
 ASSI { 2235}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 23   and name HD1 ))
      6.000     4.500     0.000 peak  2235 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.008 ppm2      1.450 CV     1
 OR { 2235}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 23   and name HG1 ))
 ASSI { 2236}
   (( segid "    " and resid 23   and name HA  ))
   (  segid "    " and resid 22   and name HD1%)
      6.000     4.500     0.000 peak  2236 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.004 ppm2      1.166 CV     1
 ASSI { 2240}
   (( segid "    " and resid 119  and name HA  ))
   (( segid "    " and resid 119  and name HB2 ))
      6.000     4.500     0.000 peak  2240 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.801 ppm2      1.675 CV     1
 ASSI { 2241}
   (( segid "    " and resid 119  and name HA  ))
   (( segid "    " and resid 119  and name HB1 ))
      6.000     4.500     0.000 peak  2241 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.802 ppm2      1.495 CV     1
 ASSI { 2243}
   (( segid "    " and resid 119  and name HA  ))
   (  segid "    " and resid 125  and name HD1%)
      6.000     4.500     0.000 peak  2243 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.803 ppm2      0.487 CV     1
 OR { 2243}
   (( segid "    " and resid 119  and name HA  ))
   (  segid "    " and resid 125  and name HD2%)
 ASSI { 2244}
   (( segid "    " and resid 119  and name HA  ))
   (( segid "    " and resid 125  and name HG  ))
      6.000     4.500     0.000 peak  2244 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.802 ppm2      0.328 CV     1
 ASSI { 2246}
   (( segid "    " and resid 119  and name HA  ))
   (  segid "    " and resid 146  and name HG2%)
      6.000     4.500     0.000 peak  2246 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.797 ppm2      0.752 CV     1
 ASSI { 2248}
   (( segid "    " and resid 137  and name HA  ))
   (( segid "    " and resid 138  and name HG1 ))
      6.000     4.500     0.000 peak  2248 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.314 ppm2      1.973 CV     1
 OR { 2248}
   (( segid "    " and resid 137  and name HA  ))
   (( segid "    " and resid 138  and name HG2 ))
 ASSI { 2252}
   (( segid "    " and resid 143  and name HA  ))
   (  segid "    " and resid 146  and name HG2%)
      6.000     4.500     0.000 peak  2252 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.101 ppm2      0.751 CV     1
 ASSI { 2253}
   (( segid "    " and resid 143  and name HA  ))
   (( segid "    " and resid 146  and name HB  ))
      6.000     4.500     0.000 peak  2253 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.093 ppm2      1.790 CV     1
 ASSI { 2255}
   (( segid "    " and resid 143  and name HA  ))
   (( segid "    " and resid 143  and name HB1 ))
      6.000     4.500     0.000 peak  2255 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.098 ppm2      1.345 CV     1
 ASSI { 2262}
   (( segid "    " and resid 130  and name HA  ))
   (( segid "    " and resid 130  and name HB2 ))
      6.000     4.500     0.000 peak  2262 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.893 ppm2      2.295 CV     1
 ASSI { 2263}
   (( segid "    " and resid 130  and name HA  ))
   (( segid "    " and resid 131  and name HG12))
      6.000     4.500     0.000 peak  2263 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.894 ppm2      1.650 CV     1
 OR { 2263}
   (( segid "    " and resid 130  and name HA  ))
   (( segid "    " and resid 131  and name HG11))
 ASSI { 2265}
   (( segid "    " and resid 130  and name HA  ))
   (( segid "    " and resid 133  and name HD2 ))
      6.000     4.500     0.000 peak  2265 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.890 ppm2      3.137 CV     1
 ASSI { 2267}
   (( segid "    " and resid 130  and name HA  ))
   (( segid "    " and resid 133  and name HB1 ))
      6.000     4.500     0.000 peak  2267 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.884 ppm2      1.509 CV     1
 ASSI { 2270}
   (( segid "    " and resid 148  and name HA  ))
   (( segid "    " and resid 151  and name HA  ))
      6.000     4.500     0.000 peak  2270 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.434 ppm2      4.095 CV     1
 ASSI { 2271}
   (( segid "    " and resid 124  and name HA  ))
   (( segid "    " and resid 124  and name HB1 ))
      6.000     4.500     0.000 peak  2271 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.415 ppm2      2.169 CV     1
 OR { 2271}
   (( segid "    " and resid 124  and name HA  ))
   (( segid "    " and resid 124  and name HB2 ))
 ASSI { 2272}
   (( segid "    " and resid 124  and name HA  ))
   (  segid "    " and resid 6    and name HB% )
      6.000     4.500     0.000 peak  2272 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.407 ppm2      1.783 CV     1
 ASSI { 2273}
   (( segid "    " and resid 124  and name HA  ))
   (( segid "    " and resid 127  and name HB1 ))
      6.000     4.500     0.000 peak  2273 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.397 ppm2      1.943 CV     1
 ASSI { 2274}
   (( segid "    " and resid 137  and name HA  ))
   (( segid "    " and resid 138  and name HD1 ))
      6.000     4.500     0.000 peak  2274 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.314 ppm2      4.028 CV     1
 OR { 2274}
   (( segid "    " and resid 137  and name HA  ))
   (( segid "    " and resid 138  and name HD2 ))
 ASSI { 2275}
   (( segid "    " and resid 137  and name HA  ))
   (( segid "    " and resid 137  and name HB1 ))
      6.000     4.500     0.000 peak  2275 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.312 ppm2      3.252 CV     1
 ASSI { 2276}
   (( segid "    " and resid 137  and name HA  ))
   (  segid "    " and resid 135  and name HD2%)
      6.000     4.500     0.000 peak  2276 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.318 ppm2      0.118 CV     1
 ASSI { 2277}
   (( segid "    " and resid 137  and name HA  ))
   (( segid "    " and resid 137  and name HB2 ))
      6.000     4.500     0.000 peak  2277 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.308 ppm2      3.376 CV     1
 ASSI { 2280}
   (( segid "    " and resid 69   and name HA  ))
   (  segid "    " and resid 69   and name HD2%)
      6.000     4.500     0.000 peak  2280 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.194 ppm2      0.964 CV     1
 ASSI { 2282}
   (( segid "    " and resid 69   and name HA  ))
   (( segid "    " and resid 69   and name HB1 ))
      6.000     4.500     0.000 peak  2282 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.190 ppm2      1.324 CV     1
 ASSI { 2283}
   (( segid "    " and resid 145  and name HA  ))
   (( segid "    " and resid 145  and name HG2 ))
      6.000     4.500     0.000 peak  2283 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.242 ppm2      2.484 CV     1
 OR { 2283}
   (( segid "    " and resid 145  and name HA  ))
   (( segid "    " and resid 145  and name HG1 ))
 ASSI { 2286}
   (( segid "    " and resid 79   and name HA  ))
   (( segid "    " and resid 79   and name HG2 ))
      6.000     4.500     0.000 peak  2286 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.197 ppm2      2.664 CV     1
 ASSI { 2288}
   (( segid "    " and resid 79   and name HA  ))
   (( segid "    " and resid 79   and name HB1 ))
      6.000     4.500     0.000 peak  2288 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.200 ppm2      2.282 CV     1
 ASSI { 2289}
   (( segid "    " and resid 78   and name HA  ))
   (( segid "    " and resid 78   and name HB2 ))
      6.000     4.500     0.000 peak  2289 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.186 ppm2      1.954 CV     1
 ASSI { 2294}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 22   and name HG  ))
      6.000     4.500     0.000 peak  2294 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.974 ppm2      1.933 CV     1
 ASSI { 2295}
   (( segid "    " and resid 22   and name HA  ))
   (  segid "    " and resid 22   and name HD1%)
      6.000     4.500     0.000 peak  2295 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.972 ppm2      1.161 CV     1
 ASSI { 2296}
   (( segid "    " and resid 22   and name HA  ))
   (  segid "    " and resid 58   and name HG2%)
      6.000     4.500     0.000 peak  2296 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.978 ppm2      0.999 CV     1
 OR { 2296}
   (( segid "    " and resid 22   and name HA  ))
   (  segid "    " and resid 58   and name HG1%)
 ASSI { 2298}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 15   and name HB1 ))
      6.000     4.500     0.000 peak  2298 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.424 ppm2      1.272 CV     1
 ASSI { 2300}
   (( segid "    " and resid 123  and name HA  ))
   (( segid "    " and resid 123  and name HB2 ))
      6.000     4.500     0.000 peak  2300 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.362 ppm2      3.349 CV     1
 ASSI { 2301}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 71   and name HB2 ))
      6.000     4.500     0.000 peak  2301 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.352 ppm2      3.095 CV     1
 ASSI { 2306}
   (( segid "    " and resid 123  and name HA  ))
   (( segid "    " and resid 155  and name HG  ))
      6.000     4.500     0.000 peak  2306 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.355 ppm2      0.776 CV     1
 ASSI { 2307}
   (( segid "    " and resid 123  and name HA  ))
   (  segid "    " and resid 155  and name HD1%)
      6.000     4.500     0.000 peak  2307 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.359 ppm2      0.504 CV     1
 ASSI { 2308}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 71   and name HB1 ))
      6.000     4.500     0.000 peak  2308 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.347 ppm2      2.627 CV     1
 ASSI { 2309}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 10   and name HB1 ))
      6.000     4.500     0.000 peak  2309 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.346 ppm2      0.632 CV     1
 ASSI { 2312}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 80   and name HB2 ))
      6.000     4.500     0.000 peak  2312 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.996 ppm2      2.865 CV     1
 ASSI { 2316}
   (( segid "    " and resid 17   and name HA  ))
   (  segid "    " and resid 12   and name HB% )
      6.000     4.500     0.000 peak  2316 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.988 ppm2      1.288 CV     1
 ASSI { 2318}
   (( segid "    " and resid 15   and name HA  ))
   (  segid "    " and resid 18   and name HG2%)
      6.000     4.500     0.000 peak  2318 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.428 ppm2      0.641 CV     1
 ASSI { 2319}
   (( segid "    " and resid 15   and name HA  ))
   (  segid "    " and resid 18   and name HG1%)
      6.000     4.500     0.000 peak  2319 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.425 ppm2      0.235 CV     1
 ASSI { 2320}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 15   and name HB2 ))
      6.000     4.500     0.000 peak  2320 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.420 ppm2      1.723 CV     1
 ASSI { 2321}
   (( segid "    " and resid 15   and name HA  ))
   (  segid "    " and resid 54   and name HD1%)
      6.000     4.500     0.000 peak  2321 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.423 ppm2     -0.634 CV     1
 OR { 2321}
   (( segid "    " and resid 15   and name HA  ))
   (  segid "    " and resid 54   and name HD2%)
 ASSI { 2322}
   (( segid "    " and resid 104  and name HA  ))
   (( segid "    " and resid 104  and name HB1 ))
      6.000     4.500     0.000 peak  2322 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.273 ppm2      2.180 CV     1
 ASSI { 2324}
   (( segid "    " and resid 88   and name HA  ))
   (( segid "    " and resid 88   and name HD2 ))
      6.000     4.500     0.000 peak  2324 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.081 ppm2      2.923 CV     1
 ASSI { 2330}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 17   and name HG2 ))
      6.000     4.500     0.000 peak  2330 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.993 ppm2      2.643 CV     1
 OR { 2330}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 17   and name HG1 ))
 ASSI { 2333}
   (( segid "    " and resid 135  and name HA  ))
   (( segid "    " and resid 135  and name HG  ))
      6.000     4.500     0.000 peak  2333 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.854 ppm2      1.250 CV     1
 ASSI { 2334}
   (( segid "    " and resid 135  and name HA  ))
   (( segid "    " and resid 135  and name HB2 ))
      6.000     4.500     0.000 peak  2334 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.848 ppm2      1.734 CV     1
 ASSI { 2335}
   (( segid "    " and resid 135  and name HA  ))
   (  segid "    " and resid 135  and name HD2%)
      6.000     4.500     0.000 peak  2335 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.848 ppm2      0.116 CV     1
 ASSI { 2337}
   (( segid "    " and resid 125  and name HA  ))
   (  segid "    " and resid 128  and name HD2%)
      6.000     4.500     0.000 peak  2337 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.821 ppm2      0.598 CV     1
 OR { 2337}
   (( segid "    " and resid 125  and name HA  ))
   (  segid "    " and resid 128  and name HD1%)
 ASSI { 2338}
   (( segid "    " and resid 125  and name HA  ))
   (  segid "    " and resid 125  and name HD2%)
      6.000     4.500     0.000 peak  2338 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.818 ppm2      0.480 CV     1
 OR { 2338}
   (( segid "    " and resid 125  and name HA  ))
   (  segid "    " and resid 125  and name HD1%)
 ASSI { 2339}
   (( segid "    " and resid 125  and name HA  ))
   (  segid "    " and resid 147  and name HD2%)
      6.000     4.500     0.000 peak  2339 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.820 ppm2     -0.571 CV     1
 ASSI { 2340}
   (( segid "    " and resid 125  and name HA  ))
   (  segid "    " and resid 147  and name HD1%)
      6.000     4.500     0.000 peak  2340 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.812 ppm2     -0.458 CV     1
 ASSI { 2343}
   (( segid "    " and resid 147  and name HA  ))
   (( segid "    " and resid 147  and name HB2 ))
      6.000     4.500     0.000 peak  2343 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.671 ppm2      1.095 CV     1
 ASSI { 2344}
   (( segid "    " and resid 147  and name HA  ))
   (( segid "    " and resid 147  and name HB1 ))
      6.000     4.500     0.000 peak  2344 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.673 ppm2      0.662 CV     1
 ASSI { 2345}
   (( segid "    " and resid 147  and name HA  ))
   (( segid "    " and resid 125  and name HG  ))
      6.000     4.500     0.000 peak  2345 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.672 ppm2      0.334 CV     1
 ASSI { 2346}
   (( segid "    " and resid 147  and name HA  ))
   (( segid "    " and resid 147  and name HG  ))
      6.000     4.500     0.000 peak  2346 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.667 ppm2      0.883 CV     1
 ASSI { 2347}
   (( segid "    " and resid 147  and name HA  ))
   (  segid "    " and resid 125  and name HD1%)
      6.000     4.500     0.000 peak  2347 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.669 ppm2      0.494 CV     1
 OR { 2347}
   (( segid "    " and resid 147  and name HA  ))
   (  segid "    " and resid 125  and name HD2%)
 ASSI { 2348}
   (( segid "    " and resid 147  and name HA  ))
   (  segid "    " and resid 147  and name HD2%)
      6.000     4.500     0.000 peak  2348 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.668 ppm2     -0.572 CV     1
 ASSI { 2350}
   (( segid "    " and resid 141  and name HA  ))
   (( segid "    " and resid 142  and name HG2 ))
      6.000     4.500     0.000 peak  2350 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.296 ppm2      2.829 CV     1
 ASSI { 2352}
   (( segid "    " and resid 141  and name HA  ))
   (( segid "    " and resid 141  and name HB1 ))
      6.000     4.500     0.000 peak  2352 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.286 ppm2      1.812 CV     1
 ASSI { 2353}
   (( segid "    " and resid 104  and name HA  ))
   (( segid "    " and resid 104  and name HG1 ))
      6.000     4.500     0.000 peak  2353 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.270 ppm2      2.545 CV     1
 ASSI { 2354}
   (( segid "    " and resid 104  and name HA  ))
   (  segid "    " and resid 105  and name HG2%)
      6.000     4.500     0.000 peak  2354 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.278 ppm2      1.025 CV     1
 OR { 2354}
   (( segid "    " and resid 104  and name HA  ))
   (  segid "    " and resid 105  and name HG1%)
 ASSI { 2356}
   (( segid "    " and resid 104  and name HA  ))
   (  segid "    " and resid 106  and name HD1%)
      6.000     4.500     0.000 peak  2356 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.264 ppm2      0.644 CV     1
 ASSI { 2358}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 14   and name HG2 ))
      6.000     4.500     0.000 peak  2358 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.088 ppm2      2.175 CV     1
 ASSI { 2361}
   (( segid "    " and resid 128  and name HA  ))
   (  segid "    " and resid 128  and name HD2%)
      6.000     4.500     0.000 peak  2361 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.858 ppm2      0.598 CV     1
 OR { 2361}
   (( segid "    " and resid 128  and name HA  ))
   (  segid "    " and resid 128  and name HD1%)
 ASSI { 2362}
   (( segid "    " and resid 125  and name HA  ))
   (( segid "    " and resid 128  and name HB2 ))
      6.000     4.500     0.000 peak  2362 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.836 ppm2      2.047 CV     1
 ASSI { 2363}
   (( segid "    " and resid 19   and name HA  ))
   (( segid "    " and resid 22   and name HB2 ))
      6.000     4.500     0.000 peak  2363 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.602 ppm2      2.055 CV     1
 ASSI { 2364}
   (( segid "    " and resid 19   and name HA  ))
   (( segid "    " and resid 19   and name HB2 ))
      6.000     4.500     0.000 peak  2364 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.591 ppm2      2.867 CV     1
 ASSI { 2367}
   (( segid "    " and resid 110  and name HA  ))
   (( segid "    " and resid 110  and name HB1 ))
      6.000     4.500     0.000 peak  2367 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.239 ppm2      1.394 CV     1
 ASSI { 2371}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 14   and name HD2 ))
      6.000     4.500     0.000 peak  2371 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.083 ppm2      3.740 CV     1
 ASSI { 2372}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 14   and name HD1 ))
      6.000     4.500     0.000 peak  2372 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.081 ppm2      3.605 CV     1
 ASSI { 2374}
   (( segid "    " and resid 30   and name HA  ))
   (( segid "    " and resid 30   and name HB2 ))
      6.000     4.500     0.000 peak  2374 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.926 ppm2      2.411 CV     1
 ASSI { 2375}
   (( segid "    " and resid 30   and name HA  ))
   (( segid "    " and resid 30   and name HG1 ))
      6.000     4.500     0.000 peak  2375 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.925 ppm2      2.124 CV     1
 ASSI { 2376}
   (( segid "    " and resid 128  and name HA  ))
   (( segid "    " and resid 128  and name HG  ))
      6.000     4.500     0.000 peak  2376 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.855 ppm2      0.305 CV     1
 ASSI { 2377}
   (( segid "    " and resid 19   and name HA  ))
   (( segid "    " and resid 19   and name HB1 ))
      6.000     4.500     0.000 peak  2377 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.595 ppm2      2.682 CV     1
 ASSI { 2378}
   (( segid "    " and resid 19   and name HA  ))
   (  segid "    " and resid 22   and name HD1%)
      6.000     4.500     0.000 peak  2378 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.592 ppm2      1.131 CV     1
 ASSI { 2379}
   (( segid "    " and resid 157  and name HA  ))
   (( segid "    " and resid 157  and name HB2 ))
      6.000     4.500     0.000 peak  2379 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.507 ppm2      1.991 CV     1
 ASSI { 2380}
   (( segid "    " and resid 157  and name HA  ))
   (( segid "    " and resid 157  and name HB1 ))
      6.000     4.500     0.000 peak  2380 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.497 ppm2      1.836 CV     1
 ASSI { 2381}
   (( segid "    " and resid 157  and name HA  ))
   (( segid "    " and resid 157  and name HG1 ))
      6.000     4.500     0.000 peak  2381 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.502 ppm2      1.286 CV     1
 ASSI { 2383}
   (( segid "    " and resid 87   and name HA  ))
   (( segid "    " and resid 92   and name HB1 ))
      6.000     4.500     0.000 peak  2383 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.212 ppm2      1.601 CV     1
 ASSI { 2384}
   (( segid "    " and resid 87   and name HA  ))
   (( segid "    " and resid 90   and name HA1 ))
      6.000     4.500     0.000 peak  2384 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.196 ppm2      3.925 CV     1
 ASSI { 2385}
   (( segid "    " and resid 87   and name HA  ))
   (( segid "    " and resid 87   and name HG2 ))
      6.000     4.500     0.000 peak  2385 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.192 ppm2      2.332 CV     1
 OR { 2385}
   (( segid "    " and resid 87   and name HA  ))
   (( segid "    " and resid 87   and name HG1 ))
 ASSI { 2387}
   (( segid "    " and resid 154  and name HA  ))
   (( segid "    " and resid 154  and name HB1 ))
      6.000     4.500     0.000 peak  2387 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.974 ppm2      1.416 CV     1
 OR { 2387}
   (( segid "    " and resid 154  and name HA  ))
   (( segid "    " and resid 154  and name HB2 ))
 ASSI { 2388}
   (( segid "    " and resid 154  and name HA  ))
   (( segid "    " and resid 154  and name HG2 ))
      6.000     4.500     0.000 peak  2388 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.975 ppm2      1.193 CV     1
 ASSI { 2389}
   (( segid "    " and resid 154  and name HA  ))
   (( segid "    " and resid 154  and name HG1 ))
      6.000     4.500     0.000 peak  2389 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.974 ppm2      0.748 CV     1
 ASSI { 2390}
   (( segid "    " and resid 154  and name HA  ))
   (  segid "    " and resid 155  and name HD2%)
      6.000     4.500     0.000 peak  2390 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.973 ppm2      0.505 CV     1
 OR { 2390}
   (( segid "    " and resid 154  and name HA  ))
   (  segid "    " and resid 155  and name HD1%)
 ASSI { 2391}
   (( segid "    " and resid 70   and name HA  ))
   (  segid "    " and resid 70   and name HD1%)
      6.000     4.500     0.000 peak  2391 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.602 ppm2      0.744 CV     1
 ASSI { 2393}
   (( segid "    " and resid 87   and name HA  ))
   (  segid "    " and resid 86   and name HB% )
      6.000     4.500     0.000 peak  2393 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.196 ppm2      1.477 CV     1
 ASSI { 2395}
   (( segid "    " and resid 34   and name HA  ))
   (( segid "    " and resid 34   and name HB2 ))
      6.000     4.500     0.000 peak  2395 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.524 ppm2      1.673 CV     1
 ASSI { 2396}
   (( segid "    " and resid 34   and name HA  ))
   (( segid "    " and resid 34   and name HB1 ))
      6.000     4.500     0.000 peak  2396 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.521 ppm2      1.555 CV     1
 ASSI { 2400}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 71   and name HB2 ))
      6.000     4.500     0.000 peak  2400 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.326 ppm2      3.099 CV     1
 ASSI { 2402}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 48   and name HB2 ))
      6.000     4.500     0.000 peak  2402 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.324 ppm2      2.279 CV     1
 ASSI { 2403}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 47   and name HA  ))
      6.000     4.500     0.000 peak  2403 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.319 ppm2      4.468 CV     1
 ASSI { 2404}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 71   and name HB1 ))
      6.000     4.500     0.000 peak  2404 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.319 ppm2      2.614 CV     1
 ASSI { 2405}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 48   and name HB1 ))
      6.000     4.500     0.000 peak  2405 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.316 ppm2      2.028 CV     1
 ASSI { 2409}
   (( segid "    " and resid 80   and name HA  ))
   (( segid "    " and resid 80   and name HB2 ))
      6.000     4.500     0.000 peak  2409 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.536 ppm2      2.882 CV     1
 ASSI { 2410}
   (( segid "    " and resid 80   and name HA  ))
   (( segid "    " and resid 80   and name HG2 ))
      6.000     4.500     0.000 peak  2410 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.543 ppm2      2.491 CV     1
 ASSI { 2411}
   (( segid "    " and resid 80   and name HA  ))
   (( segid "    " and resid 80   and name HG1 ))
      6.000     4.500     0.000 peak  2411 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.541 ppm2      2.257 CV     1
 ASSI { 2412}
   (( segid "    " and resid 80   and name HA  ))
   (( segid "    " and resid 80   and name HB1 ))
      6.000     4.500     0.000 peak  2412 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.540 ppm2      1.784 CV     1
 ASSI { 2413}
   (( segid "    " and resid 85   and name HA  ))
   (( segid "    " and resid 85   and name HB1 ))
      6.000     4.500     0.000 peak  2413 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.436 ppm2      1.759 CV     1
 ASSI { 2414}
   (( segid "    " and resid 85   and name HA  ))
   (( segid "    " and resid 85   and name HG1 ))
      6.000     4.500     0.000 peak  2414 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.434 ppm2      1.420 CV     1
 OR { 2414}
   (( segid "    " and resid 85   and name HA  ))
   (( segid "    " and resid 85   and name HG2 ))
 ASSI { 2417}
   (( segid "    " and resid 82   and name HA  ))
   (( segid "    " and resid 82   and name HB2 ))
      6.000     4.500     0.000 peak  2417 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.394 ppm2      1.605 CV     1
 OR { 2417}
   (( segid "    " and resid 82   and name HA  ))
   (( segid "    " and resid 82   and name HB1 ))
 ASSI { 2418}
   (( segid "    " and resid 82   and name HA  ))
   (  segid "    " and resid 83   and name HG2%)
      6.000     4.500     0.000 peak  2418 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.391 ppm2      0.990 CV     1
 ASSI { 2419}
   (( segid "    " and resid 82   and name HA  ))
   (( segid "    " and resid 83   and name HB  ))
      6.000     4.500     0.000 peak  2419 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.384 ppm2      2.097 CV     1
 ASSI { 2420}
   (( segid "    " and resid 85   and name HA  ))
   (( segid "    " and resid 85   and name HB2 ))
      6.000     4.500     0.000 peak  2420 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.441 ppm2      1.988 CV     1
 ASSI { 2421}
   (( segid "    " and resid 150  and name HA  ))
   (( segid "    " and resid 150  and name HD2 ))
      6.000     4.500     0.000 peak  2421 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.025 ppm2      3.119 CV     1
 ASSI { 2422}
   (( segid "    " and resid 150  and name HA  ))
   (( segid "    " and resid 150  and name HD1 ))
      6.000     4.500     0.000 peak  2422 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.025 ppm2      2.965 CV     1
 ASSI { 2423}
   (( segid "    " and resid 150  and name HA  ))
   (( segid "    " and resid 150  and name HG1 ))
      6.000     4.500     0.000 peak  2423 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.029 ppm2      1.466 CV     1
 ASSI { 2424}
   (( segid "    " and resid 150  and name HA  ))
   (  segid "    " and resid 151  and name HB% )
      6.000     4.500     0.000 peak  2424 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.027 ppm2      1.248 CV     1
 ASSI { 2428}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 27   and name HB2 ))
      6.000     4.500     0.000 peak  2428 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.211 ppm2      2.920 CV     1
 ASSI { 2429}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 27   and name HB1 ))
      6.000     4.500     0.000 peak  2429 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.211 ppm2      2.577 CV     1
 ASSI { 2431}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 23   and name HB1 ))
      6.000     4.500     0.000 peak  2431 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.163 ppm2      1.964 CV     1
 OR { 2431}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 23   and name HB2 ))
 ASSI { 2432}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 23   and name HD2 ))
      6.000     4.500     0.000 peak  2432 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.163 ppm2      1.706 CV     1
 ASSI { 2433}
   (( segid "    " and resid 20   and name HA  ))
   (  segid "    " and resid 20   and name HB% )
      6.000     4.500     0.000 peak  2433 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.161 ppm2      1.454 CV     1
 ASSI { 2435}
   (( segid "    " and resid 21   and name HA  ))
   (  segid "    " and resid 21   and name HB% )
      6.000     4.500     0.000 peak  2435 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.137 ppm2      1.567 CV     1
 ASSI { 2438}
   (( segid "    " and resid 21   and name HA  ))
   (  segid "    " and resid 76   and name HG2%)
      6.000     4.500     0.000 peak  2438 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.134 ppm2      0.831 CV     1
 ASSI { 2440}
   (( segid "    " and resid 153  and name HA  ))
   (( segid "    " and resid 153  and name HB2 ))
      6.000     4.500     0.000 peak  2440 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.575 ppm2      2.761 CV     1
 ASSI { 2441}
   (( segid "    " and resid 153  and name HA  ))
   (( segid "    " and resid 153  and name HB1 ))
      6.000     4.500     0.000 peak  2441 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.576 ppm2      2.591 CV     1
 ASSI { 2442}
   (( segid "    " and resid 153  and name HA  ))
   (( segid "    " and resid 154  and name HB1 ))
      6.000     4.500     0.000 peak  2442 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.575 ppm2      1.399 CV     1
 OR { 2442}
   (( segid "    " and resid 153  and name HA  ))
   (( segid "    " and resid 154  and name HB2 ))
 ASSI { 2444}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 30   and name HG2 ))
      6.000     4.500     0.000 peak  2444 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.247 ppm2      2.186 CV     1
 ASSI { 2445}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 68   and name HB1 ))
      6.000     4.500     0.000 peak  2445 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.243 ppm2      2.272 CV     1
 OR { 2445}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 68   and name HB2 ))
 ASSI { 2446}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 64   and name HB2 ))
      6.000     4.500     0.000 peak  2446 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.236 ppm2      1.742 CV     1
 ASSI { 2447}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 64   and name HG  ))
      6.000     4.500     0.000 peak  2447 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.236 ppm2      0.763 CV     1
 ASSI { 2448}
   (( segid "    " and resid 134  and name HA  ))
   (( segid "    " and resid 134  and name HB2 ))
      6.000     4.500     0.000 peak  2448 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.553 ppm2      2.298 CV     1
 OR { 2448}
   (( segid "    " and resid 134  and name HA  ))
   (( segid "    " and resid 134  and name HG2 ))
 ASSI { 2449}
   (( segid "    " and resid 134  and name HA  ))
   (( segid "    " and resid 134  and name HG1 ))
      6.000     4.500     0.000 peak  2449 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.553 ppm2      2.135 CV     1
 ASSI { 2450}
   (( segid "    " and resid 134  and name HA  ))
   (( segid "    " and resid 134  and name HB1 ))
      6.000     4.500     0.000 peak  2450 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.555 ppm2      1.768 CV     1
 ASSI { 2451}
   (( segid "    " and resid 139  and name HA  ))
   (( segid "    " and resid 139  and name HB2 ))
      6.000     4.500     0.000 peak  2451 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.514 ppm2      3.044 CV     1
 ASSI { 2452}
   (( segid "    " and resid 139  and name HA  ))
   (( segid "    " and resid 139  and name HB1 ))
      6.000     4.500     0.000 peak  2452 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.517 ppm2      2.603 CV     1
 ASSI { 2453}
   (( segid "    " and resid 121  and name HA  ))
   (  segid "    " and resid 45   and name HD1%)
      6.000     4.500     0.000 peak  2453 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.132 ppm2      0.848 CV     1
 ASSI { 2454}
   (( segid "    " and resid 121  and name HA  ))
   (( segid "    " and resid 121  and name HG1 ))
      6.000     4.500     0.000 peak  2454 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.134 ppm2      0.705 CV     1
 ASSI { 2456}
   (( segid "    " and resid 111  and name HA  ))
   (( segid "    " and resid 111  and name HB1 ))
      6.000     4.500     0.000 peak  2456 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.910 ppm2      0.914 CV     1
 ASSI { 2457}
   (( segid "    " and resid 111  and name HA  ))
   (  segid "    " and resid 70   and name HD2%)
      6.000     4.500     0.000 peak  2457 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.913 ppm2      0.507 CV     1
 ASSI { 2458}
   (( segid "    " and resid 111  and name HA  ))
   (  segid "    " and resid 111  and name HD1%)
      6.000     4.500     0.000 peak  2458 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.912 ppm2      0.364 CV     1
 ASSI { 2459}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 11   and name HB1 ))
      6.000     4.500     0.000 peak  2459 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.506 ppm2      0.965 CV     1
 ASSI { 2460}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 11   and name HB2 ))
      6.000     4.500     0.000 peak  2460 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.503 ppm2      1.246 CV     1
 ASSI { 2462}
   (( segid "    " and resid 121  and name HA  ))
   (( segid "    " and resid 121  and name HG2 ))
      6.000     4.500     0.000 peak  2462 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.133 ppm2      1.333 CV     1
 ASSI { 2464}
   (( segid "    " and resid 155  and name HA  ))
   (( segid "    " and resid 155  and name HG  ))
      6.000     4.500     0.000 peak  2464 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.466 ppm2      0.785 CV     1
 ASSI { 2465}
   (( segid "    " and resid 155  and name HA  ))
   (( segid "    " and resid 156  and name HB1 ))
      6.000     4.500     0.000 peak  2465 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.461 ppm2      2.859 CV     1
 OR { 2465}
   (( segid "    " and resid 155  and name HA  ))
   (( segid "    " and resid 156  and name HB2 ))
 ASSI { 2466}
   (( segid "    " and resid 155  and name HA  ))
   (( segid "    " and resid 154  and name HB2 ))
      6.000     4.500     0.000 peak  2466 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.464 ppm2      1.392 CV     1
 ASSI { 2471}
   (( segid "    " and resid 86   and name HA  ))
   (( segid "    " and resid 87   and name HB1 ))
      6.000     4.500     0.000 peak  2471 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.305 ppm2      2.009 CV     1
 OR { 2471}
   (( segid "    " and resid 86   and name HA  ))
   (( segid "    " and resid 87   and name HB2 ))
 ASSI { 2472}
   (( segid "    " and resid 86   and name HA  ))
   (  segid "    " and resid 86   and name HB% )
      6.000     4.500     0.000 peak  2472 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.305 ppm2      1.448 CV     1
 ASSI { 2474}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 93   and name HA  ))
      6.000     4.500     0.000 peak  2474 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.894 ppm2      4.050 CV     1
 ASSI { 2475}
   (( segid "    " and resid 12   and name HA  ))
   (  segid "    " and resid 12   and name HB% )
      6.000     4.500     0.000 peak  2475 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.888 ppm2      1.244 CV     1
 ASSI { 2477}
   (( segid "    " and resid 151  and name HA  ))
   (( segid "    " and resid 150  and name HB1 ))
      6.000     4.500     0.000 peak  2477 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.090 ppm2      0.950 CV     1
 ASSI { 2478}
   (( segid "    " and resid 151  and name HA  ))
   (  segid "    " and resid 151  and name HB% )
      6.000     4.500     0.000 peak  2478 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.081 ppm2      1.208 CV     1
 ASSI { 2480}
   (( segid "    " and resid 114  and name HD1 ))
   (  segid "    " and resid 113  and name HG2%)
      6.000     4.500     0.000 peak  2480 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.184 ppm2      1.180 CV     1
 ASSI { 2482}
   (( segid "    " and resid 114  and name HD1 ))
   (( segid "    " and resid 114  and name HD2 ))
      6.000     4.500     0.000 peak  2482 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.171 ppm2      3.689 CV     1
 ASSI { 2483}
   (( segid "    " and resid 114  and name HD1 ))
   (( segid "    " and resid 114  and name HG2 ))
      6.000     4.500     0.000 peak  2483 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.171 ppm2      2.464 CV     1
 ASSI { 2485}
   (( segid "    " and resid 114  and name HD1 ))
   (( segid "    " and resid 114  and name HB2 ))
      6.000     4.500     0.000 peak  2485 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.162 ppm2      2.902 CV     1
 ASSI { 2487}
   (( segid "    " and resid 114  and name HD2 ))
   (( segid "    " and resid 114  and name HG2 ))
      6.000     4.500     0.000 peak  2487 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.686 ppm2      2.465 CV     1
 ASSI { 2488}
   (( segid "    " and resid 114  and name HD2 ))
   (  segid "    " and resid 105  and name HG2%)
      6.000     4.500     0.000 peak  2488 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.692 ppm2      1.048 CV     1
 ASSI { 2489}
   (( segid "    " and resid 44   and name HD2 ))
   (( segid "    " and resid 44   and name HD1 ))
      6.000     4.500     0.000 peak  2489 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.117 ppm2      3.844 CV     1
 ASSI { 2493}
   (( segid "    " and resid 138  and name HD2 ))
   (  segid "    " and resid 105  and name HG2%)
      6.000     4.500     0.000 peak  2493 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.037 ppm2      1.066 CV     1
 OR { 2493}
   (( segid "    " and resid 138  and name HD1 ))
   (  segid "    " and resid 105  and name HG2%)
 ASSI { 2494}
   (( segid "    " and resid 138  and name HD2 ))
   (( segid "    " and resid 137  and name HB2 ))
      6.000     4.500     0.000 peak  2494 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.025 ppm2      3.394 CV     1
 OR { 2494}
   (( segid "    " and resid 138  and name HD1 ))
   (( segid "    " and resid 137  and name HB2 ))
 ASSI { 2495}
   (( segid "    " and resid 138  and name HD2 ))
   (( segid "    " and resid 137  and name HB1 ))
      6.000     4.500     0.000 peak  2495 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.031 ppm2      3.245 CV     1
 OR { 2495}
   (( segid "    " and resid 138  and name HD1 ))
   (( segid "    " and resid 137  and name HB1 ))
 ASSI { 2503}
   (( segid "    " and resid 51   and name HD2 ))
   (( segid "    " and resid 11   and name HG  ))
      6.000     4.500     0.000 peak  2503 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.869 ppm2      0.794 CV     1
 ASSI { 2504}
   (( segid "    " and resid 51   and name HD2 ))
   (( segid "    " and resid 51   and name HD1 ))
      6.000     4.500     0.000 peak  2504 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.862 ppm2      3.419 CV     1
 ASSI { 2506}
   (( segid "    " and resid 51   and name HD2 ))
   (( segid "    " and resid 51   and name HG1 ))
      6.000     4.500     0.000 peak  2506 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.859 ppm2      1.889 CV     1
 ASSI { 2512}
   (( segid "    " and resid 43   and name HD1 ))
   (( segid "    " and resid 43   and name HG1 ))
      6.000     4.500     0.000 peak  2512 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.836 ppm2      2.180 CV     1
 OR { 2512}
   (( segid "    " and resid 43   and name HD2 ))
   (( segid "    " and resid 43   and name HG2 ))
 OR { 2512}
   (( segid "    " and resid 43   and name HD1 ))
   (( segid "    " and resid 43   and name HG2 ))
 OR { 2512}
   (( segid "    " and resid 43   and name HD2 ))
   (( segid "    " and resid 43   and name HG1 ))
 ASSI { 2514}
   (( segid "    " and resid 43   and name HD2 ))
   (( segid "    " and resid 155  and name HG  ))
      6.000     4.500     0.000 peak  2514 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.838 ppm2      0.791 CV     1
 OR { 2514}
   (( segid "    " and resid 43   and name HD1 ))
   (( segid "    " and resid 155  and name HG  ))
 ASSI { 2515}
   (( segid "    " and resid 29   and name HD2 ))
   (( segid "    " and resid 29   and name HG2 ))
      6.000     4.500     0.000 peak  2515 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.672 ppm2      2.038 CV     1
 ASSI { 2516}
   (( segid "    " and resid 29   and name HD2 ))
   (( segid "    " and resid 29   and name HD1 ))
      6.000     4.500     0.000 peak  2516 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.668 ppm2      2.754 CV     1
 ASSI { 2517}
   (( segid "    " and resid 29   and name HD2 ))
   (( segid "    " and resid 28   and name HB  ))
      6.000     4.500     0.000 peak  2517 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.667 ppm2      1.583 CV     1
 ASSI { 2519}
   (( segid "    " and resid 29   and name HD2 ))
   (  segid "    " and resid 28   and name HG2%)
      6.000     4.500     0.000 peak  2519 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.668 ppm2      0.594 CV     1
 ASSI { 2534}
   (( segid "    " and resid 65   and name HA  ))
   (( segid "    " and resid 66   and name HD2 ))
      6.000     4.500     0.000 peak  2534 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.602 ppm2      3.621 CV     1
 ASSI { 2535}
   (( segid "    " and resid 65   and name HA  ))
   (( segid "    " and resid 66   and name HD1 ))
      6.000     4.500     0.000 peak  2535 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.602 ppm2      3.446 CV     1
 ASSI { 2538}
   (( segid "    " and resid 127  and name HD1 ))
   (( segid "    " and resid 127  and name HD2 ))
      6.000     4.500     0.000 peak  2538 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.402 ppm2      3.225 CV     1
 ASSI { 2540}
   (( segid "    " and resid 127  and name HD1 ))
   (( segid "    " and resid 127  and name HG1 ))
      6.000     4.500     0.000 peak  2540 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.398 ppm2      1.566 CV     1
 ASSI { 2542}
   (( segid "    " and resid 127  and name HD1 ))
   (( segid "    " and resid 126  and name HB1 ))
      6.000     4.500     0.000 peak  2542 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.391 ppm2      2.956 CV     1
 ASSI { 2543}
   (( segid "    " and resid 127  and name HD1 ))
   (( segid "    " and resid 155  and name HG  ))
      6.000     4.500     0.000 peak  2543 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.394 ppm2      0.798 CV     1
 ASSI { 2544}
   (( segid "    " and resid 127  and name HD1 ))
   (  segid "    " and resid 155  and name HD1%)
      6.000     4.500     0.000 peak  2544 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.390 ppm2      0.514 CV     1
 OR { 2544}
   (( segid "    " and resid 127  and name HD1 ))
   (  segid "    " and resid 155  and name HD2%)
 ASSI { 2546}
   (( segid "    " and resid 127  and name HD2 ))
   (( segid "    " and resid 126  and name HB1 ))
      6.000     4.500     0.000 peak  2546 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.229 ppm2      2.960 CV     1
 ASSI { 2547}
   (( segid "    " and resid 127  and name HD2 ))
   (( segid "    " and resid 127  and name HB2 ))
      6.000     4.500     0.000 peak  2547 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.231 ppm2      2.719 CV     1
 ASSI { 2549}
   (( segid "    " and resid 127  and name HD2 ))
   (( segid "    " and resid 127  and name HG2 ))
      6.000     4.500     0.000 peak  2549 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.226 ppm2      2.047 CV     1
 ASSI { 2550}
   (( segid "    " and resid 127  and name HD2 ))
   (( segid "    " and resid 127  and name HG1 ))
      6.000     4.500     0.000 peak  2550 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.225 ppm2      1.564 CV     1
 ASSI { 2551}
   (( segid "    " and resid 127  and name HD2 ))
   (  segid "    " and resid 125  and name HD2%)
      6.000     4.500     0.000 peak  2551 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.227 ppm2      0.508 CV     1
 OR { 2551}
   (( segid "    " and resid 127  and name HD2 ))
   (  segid "    " and resid 125  and name HD1%)
 ASSI { 2553}
   (( segid "    " and resid 65   and name HA  ))
   (  segid "    " and resid 65   and name HB% )
      6.000     4.500     0.000 peak  2553 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.602 ppm2      1.457 CV     1
 ASSI { 2554}
   (( segid "    " and resid 14   and name HD2 ))
   (( segid "    " and resid 14   and name HB2 ))
      6.000     4.500     0.000 peak  2554 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.730 ppm2      1.157 CV     1
 ASSI { 2556}
   (( segid "    " and resid 14   and name HD2 ))
   (( segid "    " and resid 14   and name HG1 ))
      6.000     4.500     0.000 peak  2556 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.731 ppm2      1.450 CV     1
 ASSI { 2557}
   (( segid "    " and resid 14   and name HD1 ))
   (( segid "    " and resid 14   and name HB2 ))
      6.000     4.500     0.000 peak  2557 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.620 ppm2      1.157 CV     1
 ASSI { 2559}
   (( segid "    " and resid 14   and name HD1 ))
   (( segid "    " and resid 14   and name HG2 ))
      6.000     4.500     0.000 peak  2559 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.611 ppm2      2.168 CV     1
 ASSI { 2561}
   (( segid "    " and resid 91   and name HD2 ))
   (( segid "    " and resid 90   and name HA2 ))
      6.000     4.500     0.000 peak  2561 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.683 ppm2      4.334 CV     1
 ASSI { 2566}
   (( segid "    " and resid 91   and name HD1 ))
   (( segid "    " and resid 90   and name HA2 ))
      6.000     4.500     0.000 peak  2566 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.494 ppm2      4.334 CV     1
 ASSI { 2567}
   (( segid "    " and resid 91   and name HD1 ))
   (( segid "    " and resid 90   and name HA1 ))
      6.000     4.500     0.000 peak  2567 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.497 ppm2      3.928 CV     1
 ASSI { 2569}
   (( segid "    " and resid 91   and name HD1 ))
   (( segid "    " and resid 91   and name HG1 ))
      6.000     4.500     0.000 peak  2569 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.495 ppm2      2.068 CV     1
 OR { 2569}
   (( segid "    " and resid 91   and name HD1 ))
   (( segid "    " and resid 91   and name HG2 ))
 ASSI { 2570}
   (( segid "    " and resid 133  and name HD1 ))
   (( segid "    " and resid 133  and name HD2 ))
      6.000     4.500     0.000 peak  2570 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.435 ppm2      3.118 CV     1
 ASSI { 2575}
   (( segid "    " and resid 133  and name HD2 ))
   (( segid "    " and resid 133  and name HG2 ))
      6.000     4.500     0.000 peak  2575 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.120 ppm2      1.797 CV     1
 OR { 2575}
   (( segid "    " and resid 133  and name HD2 ))
   (( segid "    " and resid 133  and name HG1 ))
 ASSI { 2576}
   (( segid "    " and resid 66   and name HD2 ))
   (( segid "    " and resid 66   and name HB2 ))
      6.000     4.500     0.000 peak  2576 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.633 ppm2      1.296 CV     1
 ASSI { 2578}
   (( segid "    " and resid 66   and name HD2 ))
   (( segid "    " and resid 66   and name HD1 ))
      6.000     4.500     0.000 peak  2578 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.629 ppm2      3.426 CV     1
 ASSI { 2579}
   (( segid "    " and resid 66   and name HD2 ))
   (( segid "    " and resid 66   and name HG2 ))
      6.000     4.500     0.000 peak  2579 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.627 ppm2      1.744 CV     1
 ASSI { 2580}
   (( segid "    " and resid 66   and name HD2 ))
   (  segid "    " and resid 65   and name HB% )
      6.000     4.500     0.000 peak  2580 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.626 ppm2      1.454 CV     1
 ASSI { 2581}
   (( segid "    " and resid 66   and name HD2 ))
   (( segid "    " and resid 66   and name HG1 ))
      6.000     4.500     0.000 peak  2581 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.627 ppm2      0.775 CV     1
 ASSI { 2582}
   (( segid "    " and resid 66   and name HD2 ))
   (( segid "    " and resid 66   and name HB1 ))
      6.000     4.500     0.000 peak  2582 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.625 ppm2      0.564 CV     1
 ASSI { 2585}
   (( segid "    " and resid 66   and name HD1 ))
   (( segid "    " and resid 66   and name HG2 ))
      6.000     4.500     0.000 peak  2585 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.430 ppm2      1.775 CV     1
 ASSI { 2586}
   (( segid "    " and resid 133  and name HD1 ))
   (( segid "    " and resid 133  and name HB2 ))
      6.000     4.500     0.000 peak  2586 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.431 ppm2      1.598 CV     1
 ASSI { 2587}
   (( segid "    " and resid 66   and name HD1 ))
   (  segid "    " and resid 65   and name HB% )
      6.000     4.500     0.000 peak  2587 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.428 ppm2      1.457 CV     1
 ASSI { 2588}
   (( segid "    " and resid 66   and name HD1 ))
   (( segid "    " and resid 66   and name HB2 ))
      6.000     4.500     0.000 peak  2588 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.426 ppm2      1.295 CV     1
 ASSI { 2589}
   (( segid "    " and resid 133  and name HD1 ))
   (  segid "    " and resid 132  and name HB% )
      6.000     4.500     0.000 peak  2589 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.432 ppm2      1.007 CV     1
 ASSI { 2590}
   (( segid "    " and resid 66   and name HD1 ))
   (( segid "    " and resid 66   and name HG1 ))
      6.000     4.500     0.000 peak  2590 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.427 ppm2      0.787 CV     1
 ASSI { 2591}
   (( segid "    " and resid 66   and name HD1 ))
   (( segid "    " and resid 66   and name HB1 ))
      6.000     4.500     0.000 peak  2591 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.423 ppm2      0.573 CV     1
 ASSI { 2592}
   (( segid "    " and resid 133  and name HD2 ))
   (  segid "    " and resid 132  and name HB% )
      6.000     4.500     0.000 peak  2592 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.130 ppm2      1.011 CV     1
 ASSI { 2593}
   (( segid "    " and resid 133  and name HD2 ))
   (( segid "    " and resid 133  and name HB2 ))
      6.000     4.500     0.000 peak  2593 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.117 ppm2      1.608 CV     1
 ASSI { 2594}
   (( segid "    " and resid 100  and name HB1 ))
   (( segid "    " and resid 100  and name HG  ))
      6.000     4.500     0.000 peak  2594 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.816 ppm2      1.610 CV     1
 ASSI { 2595}
   (( segid "    " and resid 100  and name HB2 ))
   (  segid "    " and resid 100  and name HD2%)
      6.000     4.500     0.000 peak  2595 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.019 ppm2      0.673 CV     1
 ASSI { 2596}
   (( segid "    " and resid 100  and name HB2 ))
   (( segid "    " and resid 4    and name HB2 ))
      6.000     4.500     0.000 peak  2596 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.007 ppm2      2.732 CV     1
 ASSI { 2598}
   (( segid "    " and resid 100  and name HB2 ))
   (( segid "    " and resid 100  and name HB1 ))
      6.000     4.500     0.000 peak  2598 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.996 ppm2      1.809 CV     1
 ASSI { 2599}
   (( segid "    " and resid 100  and name HB2 ))
   (( segid "    " and resid 100  and name HG  ))
      6.000     4.500     0.000 peak  2599 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.001 ppm2      1.614 CV     1
 ASSI { 2600}
   (( segid "    " and resid 100  and name HB2 ))
   (  segid "    " and resid 100  and name HD1%)
      6.000     4.500     0.000 peak  2600 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.998 ppm2      1.071 CV     1
 ASSI { 2602}
   (( segid "    " and resid 100  and name HB1 ))
   (( segid "    " and resid 4    and name HB2 ))
      6.000     4.500     0.000 peak  2602 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.813 ppm2      2.735 CV     1
 ASSI { 2603}
   (( segid "    " and resid 100  and name HB1 ))
   (  segid "    " and resid 100  and name HD1%)
      6.000     4.500     0.000 peak  2603 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.814 ppm2      1.082 CV     1
 ASSI { 2607}
   (( segid "    " and resid 11   and name HB2 ))
   (( segid "    " and resid 11   and name HB1 ))
      6.000     4.500     0.000 peak  2607 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.250 ppm2      0.958 CV     1
 ASSI { 2612}
   (( segid "    " and resid 11   and name HB1 ))
   (  segid "    " and resid 11   and name HD1%)
      6.000     4.500     0.000 peak  2612 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.953 ppm2      0.740 CV     1
 OR { 2612}
   (( segid "    " and resid 11   and name HB1 ))
   (  segid "    " and resid 11   and name HD2%)
 ASSI { 2615}
   (( segid "    " and resid 122  and name HA2 ))
   (( segid "    " and resid 122  and name HA1 ))
      6.000     4.500     0.000 peak  2615 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.159 ppm2      2.873 CV     1
 ASSI { 2616}
   (( segid "    " and resid 122  and name HA2 ))
   (( segid "    " and resid 125  and name HB2 ))
      6.000     4.500     0.000 peak  2616 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.163 ppm2      1.063 CV     1
 ASSI { 2617}
   (( segid "    " and resid 122  and name HA2 ))
   (( segid "    " and resid 125  and name HG  ))
      6.000     4.500     0.000 peak  2617 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.160 ppm2      0.339 CV     1
 ASSI { 2618}
   (( segid "    " and resid 122  and name HA2 ))
   (( segid "    " and resid 152  and name HB1 ))
      6.000     4.500     0.000 peak  2618 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.145 ppm2      2.706 CV     1
 ASSI { 2620}
   (( segid "    " and resid 102  and name HA2 ))
   (( segid "    " and resid 103  and name HB2 ))
      6.000     4.500     0.000 peak  2620 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.884 ppm2      3.008 CV     1
 OR { 2620}
   (( segid "    " and resid 102  and name HA1 ))
   (( segid "    " and resid 103  and name HB2 ))
 ASSI { 2621}
   (( segid "    " and resid 102  and name HA1 ))
   (( segid "    " and resid 103  and name HB1 ))
      6.000     4.500     0.000 peak  2621 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.884 ppm2      2.669 CV     1
 OR { 2621}
   (( segid "    " and resid 102  and name HA2 ))
   (( segid "    " and resid 103  and name HB1 ))
 ASSI { 2622}
   (( segid "    " and resid 102  and name HA1 ))
   (( segid "    " and resid 104  and name HG2 ))
      6.000     4.500     0.000 peak  2622 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.883 ppm2      2.608 CV     1
 OR { 2622}
   (( segid "    " and resid 102  and name HA2 ))
   (( segid "    " and resid 104  and name HG2 ))
 ASSI { 2623}
   (( segid "    " and resid 102  and name HA1 ))
   (( segid "    " and resid 104  and name HG1 ))
      6.000     4.500     0.000 peak  2623 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.885 ppm2      2.550 CV     1
 OR { 2623}
   (( segid "    " and resid 102  and name HA2 ))
   (( segid "    " and resid 104  and name HG1 ))
 ASSI { 2624}
   (( segid "    " and resid 102  and name HA2 ))
   (( segid "    " and resid 2    and name HB  ))
      6.000     4.500     0.000 peak  2624 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.885 ppm2      1.761 CV     1
 OR { 2624}
   (( segid "    " and resid 102  and name HA1 ))
   (( segid "    " and resid 2    and name HB  ))
 ASSI { 2625}
   (( segid "    " and resid 102  and name HA2 ))
   (( segid "    " and resid 1    and name HG21))
      6.000     4.500     0.000 peak  2625 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.888 ppm2      0.558 CV     1
 OR { 2625}
   (( segid "    " and resid 102  and name HA1 ))
   (( segid "    " and resid 1    and name HG21))
 ASSI { 2627}
   (( segid "    " and resid 122  and name HA1 ))
   (( segid "    " and resid 152  and name HB2 ))
      6.000     4.500     0.000 peak  2627 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.884 ppm2      3.368 CV     1
 ASSI { 2629}
   (( segid "    " and resid 122  and name HA1 ))
   (( segid "    " and resid 125  and name HG  ))
      6.000     4.500     0.000 peak  2629 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.880 ppm2      0.330 CV     1
 ASSI { 2630}
   (( segid "    " and resid 122  and name HA1 ))
   (  segid "    " and resid 147  and name HD2%)
      6.000     4.500     0.000 peak  2630 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.879 ppm2     -0.571 CV     1
 ASSI { 2631}
   (( segid "    " and resid 122  and name HA1 ))
   (( segid "    " and resid 125  and name HB2 ))
      6.000     4.500     0.000 peak  2631 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.875 ppm2      1.053 CV     1
 ASSI { 2632}
   (( segid "    " and resid 122  and name HA1 ))
   (( segid "    " and resid 155  and name HG  ))
      6.000     4.500     0.000 peak  2632 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.867 ppm2      0.799 CV     1
 ASSI { 2633}
   (( segid "    " and resid 11   and name HB2 ))
   (( segid "    " and resid 93   and name HA  ))
      6.000     4.500     0.000 peak  2633 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.254 ppm2      4.016 CV     1
 ASSI { 2635}
   (( segid "    " and resid 60   and name HB2 ))
   (  segid "    " and resid 60   and name HD2%)
      6.000     4.500     0.000 peak  2635 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.848 ppm2      0.721 CV     1
 ASSI { 2637}
   (( segid "    " and resid 60   and name HB2 ))
   (  segid "    " and resid 59   and name HB% )
      6.000     4.500     0.000 peak  2637 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.841 ppm2      1.269 CV     1
 ASSI { 2638}
   (( segid "    " and resid 60   and name HB2 ))
   (( segid "    " and resid 60   and name HB1 ))
      6.000     4.500     0.000 peak  2638 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.846 ppm2      1.011 CV     1
 ASSI { 2645}
   (( segid "    " and resid 60   and name HB1 ))
   (  segid "    " and resid 60   and name HD2%)
      6.000     4.500     0.000 peak  2645 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.026 ppm2      0.712 CV     1
 ASSI { 2647}
   (( segid "    " and resid 81   and name HA2 ))
   (( segid "    " and resid 81   and name HA1 ))
      6.000     4.500     0.000 peak  2647 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.129 ppm2      3.848 CV     1
 ASSI { 2649}
   (( segid "    " and resid 26   and name HA2 ))
   (( segid "    " and resid 33   and name HG11))
      6.000     4.500     0.000 peak  2649 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.973 ppm2      1.596 CV     1
 OR { 2649}
   (( segid "    " and resid 26   and name HA2 ))
   (( segid "    " and resid 33   and name HG12))
 ASSI { 2650}
   (( segid "    " and resid 26   and name HA2 ))
   (  segid "    " and resid 33   and name HD1%)
      6.000     4.500     0.000 peak  2650 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.979 ppm2      0.904 CV     1
 ASSI { 2652}
   (( segid "    " and resid 26   and name HA1 ))
   (( segid "    " and resid 33   and name HG11))
      6.000     4.500     0.000 peak  2652 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.882 ppm2      1.588 CV     1
 OR { 2652}
   (( segid "    " and resid 26   and name HA1 ))
   (( segid "    " and resid 33   and name HG12))
 ASSI { 2653}
   (( segid "    " and resid 26   and name HA1 ))
   (  segid "    " and resid 33   and name HD1%)
      6.000     4.500     0.000 peak  2653 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.881 ppm2      0.907 CV     1
 ASSI { 2656}
   (( segid "    " and resid 55   and name HB2 ))
   (( segid "    " and resid 55   and name HB1 ))
      6.000     4.500     0.000 peak  2656 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.360 ppm2      2.226 CV     1
 ASSI { 2660}
   (( segid "    " and resid 55   and name HB1 ))
   (  segid "    " and resid 42   and name HG2%)
      6.000     4.500     0.000 peak  2660 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.231 ppm2      1.467 CV     1
 ASSI { 2661}
   (( segid "    " and resid 111  and name HB2 ))
   (( segid "    " and resid 111  and name HA  ))
      6.000     4.500     0.000 peak  2661 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.342 ppm2      3.911 CV     1
 ASSI { 2662}
   (( segid "    " and resid 111  and name HB2 ))
   (( segid "    " and resid 111  and name HB1 ))
      6.000     4.500     0.000 peak  2662 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.341 ppm2      0.922 CV     1
 ASSI { 2663}
   (( segid "    " and resid 111  and name HB2 ))
   (  segid "    " and resid 111  and name HD2%)
      6.000     4.500     0.000 peak  2663 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.343 ppm2      0.343 CV     1
 ASSI { 2667}
   (( segid "    " and resid 111  and name HB1 ))
   (  segid "    " and resid 111  and name HD2%)
      6.000     4.500     0.000 peak  2667 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.912 ppm2      0.349 CV     1
 ASSI { 2668}
   (( segid "    " and resid 140  and name HA2 ))
   (( segid "    " and resid 140  and name HA1 ))
      6.000     4.500     0.000 peak  2668 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.408 ppm2      3.530 CV     1
 ASSI { 2669}
   (( segid "    " and resid 140  and name HA2 ))
   (  segid "    " and resid 136  and name HG2%)
      6.000     4.500     0.000 peak  2669 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.408 ppm2      1.028 CV     1
 ASSI { 2671}
   (( segid "    " and resid 140  and name HA1 ))
   (  segid "    " and resid 136  and name HG2%)
      6.000     4.500     0.000 peak  2671 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.533 ppm2      1.030 CV     1
 ASSI { 2672}
   (( segid "    " and resid 95   and name HB2 ))
   (( segid "    " and resid 95   and name HB1 ))
      6.000     4.500     0.000 peak  2672 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.973 ppm2      2.271 CV     1
 ASSI { 2673}
   (( segid "    " and resid 121  and name HD2 ))
   (( segid "    " and resid 121  and name HG2 ))
      6.000     4.500     0.000 peak  2673 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.439 ppm2      1.341 CV     1
 ASSI { 2674}
   (( segid "    " and resid 121  and name HD2 ))
   (  segid "    " and resid 45   and name HD1%)
      6.000     4.500     0.000 peak  2674 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.412 ppm2      0.838 CV     1
 ASSI { 2676}
   (( segid "    " and resid 121  and name HD1 ))
   (( segid "    " and resid 121  and name HG1 ))
      6.000     4.500     0.000 peak  2676 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.360 ppm2      0.718 CV     1
 ASSI { 2677}
   (( segid "    " and resid 121  and name HD1 ))
   (( segid "    " and resid 121  and name HB1 ))
      6.000     4.500     0.000 peak  2677 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.359 ppm2     -0.662 CV     1
 ASSI { 2681}
   (( segid "    " and resid 95   and name HB1 ))
   (( segid "    " and resid 94   and name HG  ))
      6.000     4.500     0.000 peak  2681 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.273 ppm2      1.491 CV     1
 ASSI { 2684}
   (( segid "    " and resid 94   and name HB1 ))
   (  segid "    " and resid 76   and name HG2%)
      6.000     4.500     0.000 peak  2684 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.538 ppm2      0.838 CV     1
 OR { 2684}
   (( segid "    " and resid 94   and name HB2 ))
   (  segid "    " and resid 76   and name HG2%)
 ASSI { 2685}
   (( segid "    " and resid 94   and name HB1 ))
   (( segid "    " and resid 80   and name HB1 ))
      6.000     4.500     0.000 peak  2685 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.531 ppm2      1.788 CV     1
 OR { 2685}
   (( segid "    " and resid 94   and name HB2 ))
   (( segid "    " and resid 80   and name HB1 ))
 ASSI { 2686}
   (( segid "    " and resid 90   and name HA2 ))
   (( segid "    " and resid 90   and name HA1 ))
      6.000     4.500     0.000 peak  2686 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.332 ppm2      3.926 CV     1
 ASSI { 2694}
   (( segid "    " and resid 121  and name HD1 ))
   (( segid "    " and resid 121  and name HG2 ))
      6.000     4.500     0.000 peak  2694 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.360 ppm2      1.351 CV     1
 ASSI { 2695}
   (( segid "    " and resid 54   and name HB2 ))
   (( segid "    " and resid 54   and name HB1 ))
      6.000     4.500     0.000 peak  2695 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.955 ppm2      0.380 CV     1
 ASSI { 2696}
   (( segid "    " and resid 54   and name HB2 ))
   (  segid "    " and resid 54   and name HD1%)
      6.000     4.500     0.000 peak  2696 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.952 ppm2     -0.635 CV     1
 OR { 2696}
   (( segid "    " and resid 54   and name HB2 ))
   (  segid "    " and resid 54   and name HD2%)
 ASSI { 2697}
   (( segid "    " and resid 54   and name HB2 ))
   (  segid "    " and resid 18   and name HG2%)
      6.000     4.500     0.000 peak  2697 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.942 ppm2      0.642 CV     1
 ASSI { 2699}
   (( segid "    " and resid 54   and name HB1 ))
   (( segid "    " and resid 14   and name HB2 ))
      6.000     4.500     0.000 peak  2699 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.392 ppm2      1.144 CV     1
 ASSI { 2703}
   (( segid "    " and resid 54   and name HB1 ))
   (  segid "    " and resid 54   and name HD2%)
      6.000     4.500     0.000 peak  2703 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.382 ppm2     -0.633 CV     1
 OR { 2703}
   (( segid "    " and resid 54   and name HB1 ))
   (  segid "    " and resid 54   and name HD1%)
 ASSI { 2706}
   (( segid "    " and resid 117  and name HB2 ))
   (( segid "    " and resid 117  and name HB1 ))
      6.000     4.500     0.000 peak  2706 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.523 ppm2      0.879 CV     1
 ASSI { 2708}
   (( segid "    " and resid 144  and name HD2 ))
   (( segid "    " and resid 144  and name HB2 ))
      6.000     4.500     0.000 peak  2708 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.393 ppm2      2.125 CV     1
 ASSI { 2721}
   (( segid "    " and resid 144  and name HD2 ))
   (( segid "    " and resid 144  and name HB1 ))
      6.000     4.500     0.000 peak  2721 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.388 ppm2      1.794 CV     1
 ASSI { 2722}
   (( segid "    " and resid 144  and name HD2 ))
   (( segid "    " and resid 144  and name HG1 ))
      6.000     4.500     0.000 peak  2722 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.387 ppm2      1.598 CV     1
 ASSI { 2723}
   (( segid "    " and resid 144  and name HD1 ))
   (( segid "    " and resid 144  and name HB2 ))
      6.000     4.500     0.000 peak  2723 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.277 ppm2      2.127 CV     1
 ASSI { 2724}
   (( segid "    " and resid 144  and name HD1 ))
   (( segid "    " and resid 144  and name HG1 ))
      6.000     4.500     0.000 peak  2724 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.276 ppm2      1.609 CV     1
 ASSI { 2725}
   (( segid "    " and resid 84   and name HD1 ))
   (( segid "    " and resid 84   and name HA  ))
      6.000     4.500     0.000 peak  2725 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.236 ppm2      4.268 CV     1
 OR { 2725}
   (( segid "    " and resid 84   and name HD2 ))
   (( segid "    " and resid 84   and name HA  ))
 ASSI { 2726}
   (( segid "    " and resid 84   and name HD1 ))
   (( segid "    " and resid 82   and name HG2 ))
      6.000     4.500     0.000 peak  2726 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.237 ppm2      1.804 CV     1
 OR { 2726}
   (( segid "    " and resid 84   and name HD2 ))
   (( segid "    " and resid 82   and name HG2 ))
 ASSI { 2727}
   (( segid "    " and resid 84   and name HD1 ))
   (( segid "    " and resid 84   and name HG2 ))
      6.000     4.500     0.000 peak  2727 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.232 ppm2      1.670 CV     1
 OR { 2727}
   (( segid "    " and resid 84   and name HD2 ))
   (( segid "    " and resid 84   and name HG1 ))
 OR { 2727}
   (( segid "    " and resid 84   and name HD2 ))
   (( segid "    " and resid 84   and name HG2 ))
 OR { 2727}
   (( segid "    " and resid 84   and name HD1 ))
   (( segid "    " and resid 84   and name HG1 ))
 ASSI { 2728}
   (( segid "    " and resid 84   and name HD1 ))
   (  segid "    " and resid 83   and name HG1%)
      6.000     4.500     0.000 peak  2728 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.234 ppm2      0.978 CV     1
 OR { 2728}
   (( segid "    " and resid 84   and name HD2 ))
   (  segid "    " and resid 83   and name HG1%)
 ASSI { 2738}
   (( segid "    " and resid 88   and name HD2 ))
   (( segid "    " and resid 88   and name HD1 ))
      6.000     4.500     0.000 peak  2738 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.914 ppm2      2.729 CV     1
 ASSI { 2739}
   (( segid "    " and resid 88   and name HD2 ))
   (( segid "    " and resid 88   and name HB2 ))
      6.000     4.500     0.000 peak  2739 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.913 ppm2      1.691 CV     1
 ASSI { 2740}
   (( segid "    " and resid 88   and name HD2 ))
   (( segid "    " and resid 88   and name HB1 ))
      6.000     4.500     0.000 peak  2740 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.912 ppm2      1.520 CV     1
 ASSI { 2741}
   (( segid "    " and resid 88   and name HD1 ))
   (( segid "    " and resid 88   and name HA  ))
      6.000     4.500     0.000 peak  2741 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.737 ppm2      4.076 CV     1
 ASSI { 2750}
   (( segid "    " and resid 34   and name HB2 ))
   (  segid "    " and resid 34   and name HD2%)
      6.000     4.500     0.000 peak  2750 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.677 ppm2      0.825 CV     1
 OR { 2750}
   (( segid "    " and resid 34   and name HB2 ))
   (  segid "    " and resid 34   and name HD1%)
 ASSI { 2752}
   (( segid "    " and resid 34   and name HB1 ))
   (  segid "    " and resid 34   and name HD1%)
      6.000     4.500     0.000 peak  2752 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.562 ppm2      0.825 CV     1
 OR { 2752}
   (( segid "    " and resid 34   and name HB1 ))
   (  segid "    " and resid 34   and name HD2%)
 ASSI { 2753}
   (( segid "    " and resid 34   and name HB1 ))
   (( segid "    " and resid 34   and name HB2 ))
      6.000     4.500     0.000 peak  2753 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.553 ppm2      1.680 CV     1
 ASSI { 2766}
   (( segid "    " and resid 125  and name HB2 ))
   (  segid "    " and resid 147  and name HD2%)
      6.000     4.500     0.000 peak  2766 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.068 ppm2     -0.561 CV     1
 ASSI { 2771}
   (( segid "    " and resid 96   and name HB1 ))
   (( segid "    " and resid 76   and name HB  ))
      6.000     4.500     0.000 peak  2771 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.959 ppm2      1.876 CV     1
 ASSI { 2773}
   (( segid "    " and resid 125  and name HB1 ))
   (  segid "    " and resid 125  and name HD2%)
      6.000     4.500     0.000 peak  2773 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.955 ppm2      0.477 CV     1
 OR { 2773}
   (( segid "    " and resid 125  and name HB1 ))
   (  segid "    " and resid 125  and name HD1%)
 ASSI { 2774}
   (( segid "    " and resid 125  and name HB1 ))
   (( segid "    " and resid 125  and name HG  ))
      6.000     4.500     0.000 peak  2774 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.959 ppm2      0.326 CV     1
 ASSI { 2775}
   (( segid "    " and resid 125  and name HB1 ))
   (  segid "    " and resid 147  and name HD2%)
      6.000     4.500     0.000 peak  2775 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.955 ppm2     -0.568 CV     1
 ASSI { 2779}
   (( segid "    " and resid 75   and name HD2 ))
   (( segid "    " and resid 75   and name HD1 ))
      6.000     4.500     0.000 peak  2779 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.352 ppm2      3.192 CV     1
 ASSI { 2781}
   (( segid "    " and resid 75   and name HD2 ))
   (( segid "    " and resid 75   and name HB2 ))
      6.000     4.500     0.000 peak  2781 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.353 ppm2      2.333 CV     1
 ASSI { 2783}
   (( segid "    " and resid 75   and name HD2 ))
   (( segid "    " and resid 75   and name HG2 ))
      6.000     4.500     0.000 peak  2783 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.353 ppm2      1.682 CV     1
 ASSI { 2785}
   (( segid "    " and resid 41   and name HD2 ))
   (( segid "    " and resid 158  and name HA  ))
      6.000     4.500     0.000 peak  2785 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.193 ppm2      3.979 CV     1
 ASSI { 2786}
   (( segid "    " and resid 75   and name HD1 ))
   (( segid "    " and resid 75   and name HB2 ))
      6.000     4.500     0.000 peak  2786 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.189 ppm2      2.344 CV     1
 ASSI { 2787}
   (( segid "    " and resid 75   and name HD1 ))
   (( segid "    " and resid 75   and name HG2 ))
      6.000     4.500     0.000 peak  2787 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.190 ppm2      1.704 CV     1
 ASSI { 2788}
   (( segid "    " and resid 41   and name HD2 ))
   (( segid "    " and resid 41   and name HD1 ))
      6.000     4.500     0.000 peak  2788 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.185 ppm2      2.844 CV     1
 ASSI { 2789}
   (( segid "    " and resid 41   and name HD2 ))
   (( segid "    " and resid 52   and name HB2 ))
      6.000     4.500     0.000 peak  2789 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.183 ppm2      2.681 CV     1
 ASSI { 2791}
   (( segid "    " and resid 41   and name HD1 ))
   (( segid "    " and resid 158  and name HA  ))
      6.000     4.500     0.000 peak  2791 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.846 ppm2      3.975 CV     1
 ASSI { 2793}
   (( segid "    " and resid 41   and name HD1 ))
   (( segid "    " and resid 41   and name HB1 ))
      6.000     4.500     0.000 peak  2793 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.843 ppm2      1.750 CV     1
 OR { 2793}
   (( segid "    " and resid 41   and name HD1 ))
   (( segid "    " and resid 41   and name HB2 ))
 ASSI { 2794}
   (( segid "    " and resid 41   and name HD1 ))
   (( segid "    " and resid 41   and name HG2 ))
      6.000     4.500     0.000 peak  2794 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.847 ppm2      1.598 CV     1
 ASSI { 2795}
   (( segid "    " and resid 41   and name HD1 ))
   (( segid "    " and resid 41   and name HG1 ))
      6.000     4.500     0.000 peak  2795 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.838 ppm2      1.292 CV     1
 ASSI { 2800}
   (( segid "    " and resid 64   and name HB1 ))
   (( segid "    " and resid 64   and name HA  ))
      6.000     4.500     0.000 peak  2800 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.493 ppm2      4.234 CV     1
 ASSI { 2801}
   (( segid "    " and resid 64   and name HB1 ))
   (( segid "    " and resid 64   and name HB2 ))
      6.000     4.500     0.000 peak  2801 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.492 ppm2      1.749 CV     1
 ASSI { 2802}
   (( segid "    " and resid 64   and name HB1 ))
   (( segid "    " and resid 64   and name HG  ))
      6.000     4.500     0.000 peak  2802 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.490 ppm2      0.762 CV     1
 ASSI { 2808}
   (( segid "    " and resid 96   and name HB1 ))
   (( segid "    " and resid 96   and name HB2 ))
      6.000     4.500     0.000 peak  2808 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.952 ppm2      2.152 CV     1
 ASSI { 2811}
   (( segid "    " and resid 92   and name HD2 ))
   (( segid "    " and resid 48   and name HB1 ))
      6.000     4.500     0.000 peak  2811 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.534 ppm2      2.048 CV     1
 ASSI { 2814}
   (( segid "    " and resid 82   and name HD2 ))
   (  segid "    " and resid 94   and name HD2%)
      6.000     4.500     0.000 peak  2814 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.360 ppm2      0.851 CV     1
 OR { 2814}
   (( segid "    " and resid 82   and name HD2 ))
   (  segid "    " and resid 94   and name HD1%)
 ASSI { 2816}
   (( segid "    " and resid 92   and name HD1 ))
   (( segid "    " and resid 48   and name HB1 ))
      6.000     4.500     0.000 peak  2816 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.353 ppm2      2.054 CV     1
 ASSI { 2819}
   (( segid "    " and resid 41   and name HD2 ))
   (( segid "    " and resid 41   and name HG1 ))
      6.000     4.500     0.000 peak  2819 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.185 ppm2      1.292 CV     1
 ASSI { 2821}
   (( segid "    " and resid 25   and name HB2 ))
   (( segid "    " and resid 25   and name HG  ))
      6.000     4.500     0.000 peak  2821 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.132 ppm2      1.976 CV     1
 ASSI { 2823}
   (( segid "    " and resid 25   and name HB2 ))
   (( segid "    " and resid 25   and name HB1 ))
      6.000     4.500     0.000 peak  2823 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.131 ppm2      1.196 CV     1
 ASSI { 2824}
   (( segid "    " and resid 25   and name HB2 ))
   (  segid "    " and resid 25   and name HD1%)
      6.000     4.500     0.000 peak  2824 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.133 ppm2      0.845 CV     1
 OR { 2824}
   (( segid "    " and resid 25   and name HB2 ))
   (  segid "    " and resid 25   and name HD2%)
 ASSI { 2827}
   (( segid "    " and resid 135  and name HB2 ))
   (( segid "    " and resid 143  and name HB2 ))
      6.000     4.500     0.000 peak  2827 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.732 ppm2      2.213 CV     1
 ASSI { 2829}
   (( segid "    " and resid 135  and name HB2 ))
   (  segid "    " and resid 135  and name HD1%)
      6.000     4.500     0.000 peak  2829 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.731 ppm2      0.377 CV     1
 ASSI { 2830}
   (( segid "    " and resid 135  and name HB2 ))
   (  segid "    " and resid 135  and name HD2%)
      6.000     4.500     0.000 peak  2830 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.731 ppm2      0.116 CV     1
 ASSI { 2831}
   (( segid "    " and resid 15   and name HB2 ))
   (( segid "    " and resid 16   and name HG1 ))
      6.000     4.500     0.000 peak  2831 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.729 ppm2      2.379 CV     1
 OR { 2831}
   (( segid "    " and resid 15   and name HB2 ))
   (( segid "    " and resid 16   and name HG2 ))
 ASSI { 2833}
   (( segid "    " and resid 135  and name HB1 ))
   (( segid "    " and resid 135  and name HA  ))
      6.000     4.500     0.000 peak  2833 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.317 ppm2      3.844 CV     1
 ASSI { 2834}
   (( segid "    " and resid 135  and name HB1 ))
   (  segid "    " and resid 135  and name HD2%)
      6.000     4.500     0.000 peak  2834 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.320 ppm2      0.113 CV     1
 ASSI { 2835}
   (( segid "    " and resid 135  and name HB1 ))
   (  segid "    " and resid 135  and name HD1%)
      6.000     4.500     0.000 peak  2835 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.312 ppm2      0.378 CV     1
 ASSI { 2837}
   (( segid "    " and resid 25   and name HB1 ))
   (  segid "    " and resid 25   and name HD2%)
      6.000     4.500     0.000 peak  2837 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.200 ppm2      0.847 CV     1
 OR { 2837}
   (( segid "    " and resid 25   and name HB1 ))
   (  segid "    " and resid 25   and name HD1%)
 ASSI { 2845}
   (( segid "    " and resid 150  and name HD2 ))
   (( segid "    " and resid 150  and name HG1 ))
      6.000     4.500     0.000 peak  2845 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.114 ppm2      1.475 CV     1
 ASSI { 2846}
   (( segid "    " and resid 150  and name HD2 ))
   (( segid "    " and resid 150  and name HB2 ))
      6.000     4.500     0.000 peak  2846 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.116 ppm2      1.265 CV     1
 ASSI { 2848}
   (( segid "    " and resid 150  and name HD2 ))
   (  segid "    " and resid 146  and name HG2%)
      6.000     4.500     0.000 peak  2848 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.116 ppm2      0.752 CV     1
 ASSI { 2850}
   (( segid "    " and resid 150  and name HD1 ))
   (( segid "    " and resid 150  and name HB2 ))
      6.000     4.500     0.000 peak  2850 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.009 ppm2      1.298 CV     1
 ASSI { 2855}
   (( segid "    " and resid 150  and name HD1 ))
   (  segid "    " and resid 125  and name HD1%)
      6.000     4.500     0.000 peak  2855 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.973 ppm2      0.487 CV     1
 ASSI { 2856}
   (( segid "    " and resid 157  and name HE2 ))
   (( segid "    " and resid 157  and name HG2 ))
      6.000     4.500     0.000 peak  2856 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.958 ppm2      1.624 CV     1
 OR { 2856}
   (( segid "    " and resid 157  and name HE1 ))
   (( segid "    " and resid 157  and name HG2 ))
 ASSI { 2858}
   (( segid "    " and resid 128  and name HB2 ))
   (( segid "    " and resid 128  and name HG  ))
      6.000     4.500     0.000 peak  2858 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.043 ppm2      0.309 CV     1
 ASSI { 2860}
   (( segid "    " and resid 128  and name HB2 ))
   (( segid "    " and resid 128  and name HB1 ))
      6.000     4.500     0.000 peak  2860 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.036 ppm2      1.221 CV     1
 ASSI { 2861}
   (( segid "    " and resid 128  and name HB2 ))
   (  segid "    " and resid 128  and name HD1%)
      6.000     4.500     0.000 peak  2861 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.039 ppm2      0.585 CV     1
 OR { 2861}
   (( segid "    " and resid 128  and name HB2 ))
   (  segid "    " and resid 128  and name HD2%)
 ASSI { 2865}
   (( segid "    " and resid 15   and name HB2 ))
   (  segid "    " and resid 54   and name HD1%)
      6.000     4.500     0.000 peak  2865 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.709 ppm2     -0.627 CV     1
 OR { 2865}
   (( segid "    " and resid 15   and name HB2 ))
   (  segid "    " and resid 54   and name HD2%)
 ASSI { 2867}
   (( segid "    " and resid 45   and name HB2 ))
   (( segid "    " and resid 121  and name HG1 ))
      6.000     4.500     0.000 peak  2867 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.625 ppm2      0.692 CV     1
 OR { 2867}
   (( segid "    " and resid 45   and name HB1 ))
   (( segid "    " and resid 121  and name HG1 ))
 ASSI { 2868}
   (( segid "    " and resid 45   and name HB2 ))
   (( segid "    " and resid 45   and name HG  ))
      6.000     4.500     0.000 peak  2868 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.608 ppm2      1.346 CV     1
 OR { 2868}
   (( segid "    " and resid 45   and name HB1 ))
   (( segid "    " and resid 45   and name HG  ))
 ASSI { 2869}
   (( segid "    " and resid 45   and name HB1 ))
   (  segid "    " and resid 45   and name HD2%)
      6.000     4.500     0.000 peak  2869 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.610 ppm2      1.055 CV     1
 OR { 2869}
   (( segid "    " and resid 45   and name HB2 ))
   (  segid "    " and resid 45   and name HD2%)
 ASSI { 2870}
   (( segid "    " and resid 45   and name HB1 ))
   (  segid "    " and resid 45   and name HD1%)
      6.000     4.500     0.000 peak  2870 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.611 ppm2      0.845 CV     1
 OR { 2870}
   (( segid "    " and resid 45   and name HB2 ))
   (  segid "    " and resid 45   and name HD1%)
 ASSI { 2872}
   (( segid "    " and resid 106  and name HB  ))
   (( segid "    " and resid 106  and name HA  ))
      6.000     4.500     0.000 peak  2872 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.453 ppm2      4.314 CV     1
 ASSI { 2876}
   (( segid "    " and resid 15   and name HB1 ))
   (( segid "    " and resid 15   and name HB2 ))
      6.000     4.500     0.000 peak  2876 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.275 ppm2      1.723 CV     1
 ASSI { 2877}
   (( segid "    " and resid 15   and name HB1 ))
   (  segid "    " and resid 15   and name HD2%)
      6.000     4.500     0.000 peak  2877 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.276 ppm2      1.004 CV     1
 OR { 2877}
   (( segid "    " and resid 15   and name HB1 ))
   (  segid "    " and resid 15   and name HD1%)
 ASSI { 2878}
   (( segid "    " and resid 15   and name HB1 ))
   (( segid "    " and resid 15   and name HG  ))
      6.000     4.500     0.000 peak  2878 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.268 ppm2      1.504 CV     1
 ASSI { 2882}
   (( segid "    " and resid 128  and name HB1 ))
   (  segid "    " and resid 128  and name HD2%)
      6.000     4.500     0.000 peak  2882 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.224 ppm2      0.596 CV     1
 OR { 2882}
   (( segid "    " and resid 128  and name HB1 ))
   (  segid "    " and resid 128  and name HD1%)
 ASSI { 2883}
   (( segid "    " and resid 128  and name HB1 ))
   (( segid "    " and resid 128  and name HG  ))
      6.000     4.500     0.000 peak  2883 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.229 ppm2      0.313 CV     1
 ASSI { 2884}
   (( segid "    " and resid 128  and name HB1 ))
   (( segid "    " and resid 128  and name HA  ))
      6.000     4.500     0.000 peak  2884 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.217 ppm2      3.855 CV     1
 ASSI { 2887}
   (( segid "    " and resid 154  and name HE1 ))
   (( segid "    " and resid 154  and name HB1 ))
      6.000     4.500     0.000 peak  2887 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.854 ppm2      1.399 CV     1
 OR { 2887}
   (( segid "    " and resid 154  and name HE1 ))
   (( segid "    " and resid 154  and name HB2 ))
 OR { 2887}
   (( segid "    " and resid 154  and name HE2 ))
   (( segid "    " and resid 154  and name HB1 ))
 OR { 2887}
   (( segid "    " and resid 154  and name HE2 ))
   (( segid "    " and resid 154  and name HB2 ))
 ASSI { 2888}
   (( segid "    " and resid 154  and name HE1 ))
   (( segid "    " and resid 154  and name HG2 ))
      6.000     4.500     0.000 peak  2888 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.855 ppm2      1.197 CV     1
 OR { 2888}
   (( segid "    " and resid 154  and name HE2 ))
   (( segid "    " and resid 154  and name HG2 ))
 ASSI { 2889}
   (( segid "    " and resid 154  and name HE1 ))
   (( segid "    " and resid 154  and name HG1 ))
      6.000     4.500     0.000 peak  2889 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.856 ppm2      0.738 CV     1
 OR { 2889}
   (( segid "    " and resid 154  and name HE2 ))
   (( segid "    " and resid 154  and name HG1 ))
 ASSI { 2891}
   (( segid "    " and resid 27   and name HB1 ))
   (( segid "    " and resid 27   and name HB2 ))
      6.000     4.500     0.000 peak  2891 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.591 ppm2      2.932 CV     1
 ASSI { 2894}
   (( segid "    " and resid 143  and name HB2 ))
   (( segid "    " and resid 143  and name HG  ))
      6.000     4.500     0.000 peak  2894 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.212 ppm2      0.965 CV     1
 ASSI { 2895}
   (( segid "    " and resid 143  and name HB2 ))
   (( segid "    " and resid 143  and name HB1 ))
      6.000     4.500     0.000 peak  2895 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.206 ppm2      1.358 CV     1
 ASSI { 2900}
   (( segid "    " and resid 78   and name HB2 ))
   (( segid "    " and resid 78   and name HB1 ))
      6.000     4.500     0.000 peak  2900 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.957 ppm2      1.795 CV     1
 ASSI { 2901}
   (( segid "    " and resid 78   and name HB2 ))
   (( segid "    " and resid 78   and name HG  ))
      6.000     4.500     0.000 peak  2901 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.959 ppm2      0.985 CV     1
 ASSI { 2908}
   (( segid "    " and resid 106  and name HB  ))
   (( segid "    " and resid 113  and name HB  ))
      6.000     4.500     0.000 peak  2908 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.457 ppm2      1.891 CV     1
 ASSI { 2909}
   (( segid "    " and resid 106  and name HB  ))
   (  segid "    " and resid 106  and name HG2%)
      6.000     4.500     0.000 peak  2909 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.451 ppm2      0.921 CV     1
 ASSI { 2910}
   (( segid "    " and resid 106  and name HB  ))
   (  segid "    " and resid 106  and name HD1%)
      6.000     4.500     0.000 peak  2910 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.453 ppm2      0.643 CV     1
 ASSI { 2918}
   (( segid "    " and resid 22   and name HB2 ))
   (( segid "    " and resid 22   and name HA  ))
      6.000     4.500     0.000 peak  2918 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.063 ppm2      3.977 CV     1
 ASSI { 2919}
   (( segid "    " and resid 22   and name HB2 ))
   (( segid "    " and resid 22   and name HB1 ))
      6.000     4.500     0.000 peak  2919 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.068 ppm2      1.476 CV     1
 ASSI { 2920}
   (( segid "    " and resid 22   and name HB2 ))
   (  segid "    " and resid 22   and name HD1%)
      6.000     4.500     0.000 peak  2920 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.061 ppm2      1.134 CV     1
 ASSI { 2921}
   (( segid "    " and resid 22   and name HB2 ))
   (  segid "    " and resid 22   and name HD2%)
      6.000     4.500     0.000 peak  2921 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.063 ppm2      0.873 CV     1
 ASSI { 2926}
   (( segid "    " and resid 5    and name HB  ))
   (  segid "    " and resid 5    and name HG2%)
      6.000     4.500     0.000 peak  2926 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.785 ppm2      0.853 CV     1
 ASSI { 2927}
   (( segid "    " and resid 5    and name HB  ))
   (( segid "    " and resid 5    and name HG11))
      6.000     4.500     0.000 peak  2927 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.779 ppm2      1.603 CV     1
 OR { 2927}
   (( segid "    " and resid 5    and name HB  ))
   (( segid "    " and resid 5    and name HG12))
 ASSI { 2928}
   (( segid "    " and resid 22   and name HB1 ))
   (( segid "    " and resid 22   and name HA  ))
      6.000     4.500     0.000 peak  2928 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.468 ppm2      3.974 CV     1
 ASSI { 2930}
   (( segid "    " and resid 22   and name HB1 ))
   (  segid "    " and resid 22   and name HD1%)
      6.000     4.500     0.000 peak  2930 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.467 ppm2      1.132 CV     1
 ASSI { 2932}
   (( segid "    " and resid 147  and name HB2 ))
   (( segid "    " and resid 147  and name HB1 ))
      6.000     4.500     0.000 peak  2932 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.092 ppm2      0.647 CV     1
 ASSI { 2933}
   (( segid "    " and resid 147  and name HB2 ))
   (  segid "    " and resid 147  and name HD1%)
      6.000     4.500     0.000 peak  2933 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.093 ppm2     -0.460 CV     1
 ASSI { 2934}
   (( segid "    " and resid 147  and name HB2 ))
   (  segid "    " and resid 147  and name HD2%)
      6.000     4.500     0.000 peak  2934 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.095 ppm2     -0.570 CV     1
 ASSI { 2936}
   (( segid "    " and resid 147  and name HB2 ))
   (( segid "    " and resid 147  and name HG  ))
      6.000     4.500     0.000 peak  2936 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.091 ppm2      0.875 CV     1
 ASSI { 2940}
   (( segid "    " and resid 70   and name HB1 ))
   (  segid "    " and resid 70   and name HD2%)
      6.000     4.500     0.000 peak  2940 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.019 ppm2      0.491 CV     1
 ASSI { 2941}
   (( segid "    " and resid 70   and name HB1 ))
   (  segid "    " and resid 111  and name HD2%)
      6.000     4.500     0.000 peak  2941 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.017 ppm2      0.349 CV     1
 ASSI { 2944}
   (( segid "    " and resid 147  and name HB1 ))
   (( segid "    " and resid 147  and name HG  ))
      6.000     4.500     0.000 peak  2944 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.655 ppm2      0.868 CV     1
 ASSI { 2945}
   (( segid "    " and resid 147  and name HB1 ))
   (  segid "    " and resid 147  and name HD2%)
      6.000     4.500     0.000 peak  2945 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.656 ppm2     -0.570 CV     1
 ASSI { 2947}
   (( segid "    " and resid 101  and name HB2 ))
   (( segid "    " and resid 101  and name HB1 ))
      6.000     4.500     0.000 peak  2947 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.335 ppm2      2.329 CV     1
 ASSI { 2949}
   (( segid "    " and resid 101  and name HB2 ))
   (  segid "    " and resid 113  and name HG2%)
      6.000     4.500     0.000 peak  2949 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.333 ppm2      1.175 CV     1
 ASSI { 2952}
   (( segid "    " and resid 40   and name HB2 ))
   (  segid "    " and resid 155  and name HD1%)
      6.000     4.500     0.000 peak  2952 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.062 ppm2      0.498 CV     1
 OR { 2952}
   (( segid "    " and resid 40   and name HB2 ))
   (  segid "    " and resid 155  and name HD2%)
 ASSI { 2953}
   (( segid "    " and resid 40   and name HB2 ))
   (( segid "    " and resid 155  and name HB1 ))
      6.000     4.500     0.000 peak  2953 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.054 ppm2      1.430 CV     1
 OR { 2953}
   (( segid "    " and resid 40   and name HB2 ))
   (( segid "    " and resid 155  and name HB2 ))
 ASSI { 2954}
   (( segid "    " and resid 40   and name HB1 ))
   (  segid "    " and resid 155  and name HD1%)
      6.000     4.500     0.000 peak  2954 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.694 ppm2      0.500 CV     1
 OR { 2954}
   (( segid "    " and resid 40   and name HB1 ))
   (  segid "    " and resid 155  and name HD2%)
 ASSI { 2959}
   (( segid "    " and resid 101  and name HB1 ))
   (( segid "    " and resid 98   and name HG11))
      6.000     4.500     0.000 peak  2959 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.325 ppm2      0.981 CV     1
 ASSI { 2968}
   (( segid "    " and resid 53   and name HB2 ))
   (( segid "    " and resid 53   and name HB1 ))
      6.000     4.500     0.000 peak  2968 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.911 ppm2      2.247 CV     1
 ASSI { 2973}
   (( segid "    " and resid 52   and name HB2 ))
   (( segid "    " and resid 52   and name HB1 ))
      6.000     4.500     0.000 peak  2973 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.646 ppm2      2.433 CV     1
 ASSI { 2975}
   (( segid "    " and resid 52   and name HB2 ))
   (( segid "    " and resid 41   and name HB2 ))
      6.000     4.500     0.000 peak  2975 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.649 ppm2      1.751 CV     1
 OR { 2975}
   (( segid "    " and resid 52   and name HB2 ))
   (( segid "    " and resid 41   and name HB1 ))
 ASSI { 2976}
   (( segid "    " and resid 52   and name HB2 ))
   (( segid "    " and resid 41   and name HG1 ))
      6.000     4.500     0.000 peak  2976 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.642 ppm2      1.326 CV     1
 ASSI { 2978}
   (( segid "    " and resid 97   and name HB2 ))
   (( segid "    " and resid 97   and name HB1 ))
      6.000     4.500     0.000 peak  2978 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.530 ppm2      2.363 CV     1
 ASSI { 2979}
   (( segid "    " and resid 97   and name HB2 ))
   (  segid "    " and resid 6    and name HB% )
      6.000     4.500     0.000 peak  2979 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.536 ppm2      1.779 CV     1
 ASSI { 2980}
   (( segid "    " and resid 97   and name HB2 ))
   (( segid "    " and resid 70   and name HG  ))
      6.000     4.500     0.000 peak  2980 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.523 ppm2      1.347 CV     1
 ASSI { 2982}
   (( segid "    " and resid 52   and name HB1 ))
   (( segid "    " and resid 41   and name HG2 ))
      6.000     4.500     0.000 peak  2982 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.428 ppm2      1.593 CV     1
 ASSI { 2987}
   (( segid "    " and resid 119  and name HE2 ))
   (( segid "    " and resid 119  and name HB2 ))
      6.000     4.500     0.000 peak  2987 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.303 ppm2      1.659 CV     1
 ASSI { 2988}
   (( segid "    " and resid 119  and name HE2 ))
   (( segid "    " and resid 119  and name HE1 ))
      6.000     4.500     0.000 peak  2988 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.305 ppm2      1.502 CV     1
 ASSI { 2990}
   (( segid "    " and resid 119  and name HE2 ))
   (( segid "    " and resid 119  and name HG2 ))
      6.000     4.500     0.000 peak  2990 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.301 ppm2      1.308 CV     1
 ASSI { 2993}
   (( segid "    " and resid 69   and name HB2 ))
   (( segid "    " and resid 69   and name HB1 ))
      6.000     4.500     0.000 peak  2993 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.208 ppm2      1.326 CV     1
 ASSI { 2997}
   (( segid "    " and resid 7    and name HB  ))
   (( segid "    " and resid 96   and name HB1 ))
      6.000     4.500     0.000 peak  2997 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.486 ppm2      0.974 CV     1
 ASSI { 2999}
   (( segid "    " and resid 69   and name HB1 ))
   (( segid "    " and resid 64   and name HB1 ))
      6.000     4.500     0.000 peak  2999 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.330 ppm2      1.489 CV     1
 ASSI { 3001}
   (( segid "    " and resid 139  and name HB2 ))
   (( segid "    " and resid 139  and name HB1 ))
      6.000     4.500     0.000 peak  3001 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.045 ppm2      2.594 CV     1
 ASSI { 3003}
   (( segid "    " and resid 156  and name HB1 ))
   (( segid "    " and resid 154  and name HB2 ))
      6.000     4.500     0.000 peak  3003 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.866 ppm2      1.403 CV     1
 OR { 3003}
   (( segid "    " and resid 156  and name HB1 ))
   (( segid "    " and resid 154  and name HB1 ))
 OR { 3003}
   (( segid "    " and resid 156  and name HB2 ))
   (( segid "    " and resid 154  and name HB2 ))
 ASSI { 3007}
   (( segid "    " and resid 4    and name HB2 ))
   (  segid "    " and resid 100  and name HD2%)
      6.000     4.500     0.000 peak  3007 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.760 ppm2      0.661 CV     1
 ASSI { 3008}
   (( segid "    " and resid 4    and name HB2 ))
   (( segid "    " and resid 99   and name HG1 ))
      6.000     4.500     0.000 peak  3008 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.758 ppm2      2.194 CV     1
 ASSI { 3009}
   (( segid "    " and resid 4    and name HB2 ))
   (( segid "    " and resid 128  and name HB2 ))
      6.000     4.500     0.000 peak  3009 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.752 ppm2      2.066 CV     1
 ASSI { 3011}
   (( segid "    " and resid 107  and name HB2 ))
   (  segid "    " and resid 112  and name HG2%)
      6.000     4.500     0.000 peak  3011 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.755 ppm2      1.454 CV     1
 ASSI { 3015}
   (( segid "    " and resid 4    and name HB2 ))
   (( segid "    " and resid 128  and name HG  ))
      6.000     4.500     0.000 peak  3015 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.745 ppm2      0.306 CV     1
 ASSI { 3022}
   (( segid "    " and resid 120  and name HB1 ))
   (( segid "    " and resid 120  and name HB2 ))
      6.000     4.500     0.000 peak  3022 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.524 ppm2      3.006 CV     1
 ASSI { 3023}
   (( segid "    " and resid 69   and name HB2 ))
   (( segid "    " and resid 69   and name HA  ))
      6.000     4.500     0.000 peak  3023 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.214 ppm2      4.206 CV     1
 ASSI { 3024}
   (( segid "    " and resid 69   and name HB2 ))
   (( segid "    " and resid 69   and name HG  ))
      6.000     4.500     0.000 peak  3024 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.221 ppm2      1.627 CV     1
 ASSI { 3025}
   (( segid "    " and resid 69   and name HB2 ))
   (  segid "    " and resid 69   and name HD1%)
      6.000     4.500     0.000 peak  3025 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.216 ppm2      1.026 CV     1
 ASSI { 3028}
   (( segid "    " and resid 7    and name HB  ))
   (  segid "    " and resid 7    and name HG2%)
      6.000     4.500     0.000 peak  3028 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.474 ppm2      0.780 CV     1
 ASSI { 3029}
   (( segid "    " and resid 7    and name HB  ))
   (  segid "    " and resid 18   and name HG1%)
      6.000     4.500     0.000 peak  3029 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.471 ppm2      0.247 CV     1
 ASSI { 3032}
   (( segid "    " and resid 69   and name HB1 ))
   (( segid "    " and resid 69   and name HG  ))
      6.000     4.500     0.000 peak  3032 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.328 ppm2      1.622 CV     1
 ASSI { 3033}
   (( segid "    " and resid 69   and name HB1 ))
   (( segid "    " and resid 98   and name HG11))
      6.000     4.500     0.000 peak  3033 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.327 ppm2      0.993 CV     1
 ASSI { 3036}
   (( segid "    " and resid 129  and name HB1 ))
   (( segid "    " and resid 133  and name HB1 ))
      6.000     4.500     0.000 peak  3036 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.883 ppm2      1.495 CV     1
 ASSI { 3037}
   (( segid "    " and resid 156  and name HB2 ))
   (( segid "    " and resid 41   and name HB1 ))
      6.000     4.500     0.000 peak  3037 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.873 ppm2      1.743 CV     1
 OR { 3037}
   (( segid "    " and resid 156  and name HB1 ))
   (( segid "    " and resid 41   and name HB1 ))
 OR { 3037}
   (( segid "    " and resid 156  and name HB2 ))
   (( segid "    " and resid 41   and name HB2 ))
 ASSI { 3040}
   (( segid "    " and resid 152  and name HB2 ))
   (  segid "    " and resid 147  and name HD2%)
      6.000     4.500     0.000 peak  3040 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.387 ppm2     -0.569 CV     1
 ASSI { 3041}
   (( segid "    " and resid 152  and name HB2 ))
   (( segid "    " and resid 152  and name HB1 ))
      6.000     4.500     0.000 peak  3041 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.382 ppm2      2.679 CV     1
 ASSI { 3042}
   (( segid "    " and resid 129  and name HB2 ))
   (  segid "    " and resid 147  and name HD1%)
      6.000     4.500     0.000 peak  3042 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.191 ppm2     -0.461 CV     1
 ASSI { 3044}
   (( segid "    " and resid 129  and name HB2 ))
   (( segid "    " and resid 129  and name HB1 ))
      6.000     4.500     0.000 peak  3044 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.179 ppm2      2.900 CV     1
 ASSI { 3049}
   (( segid "    " and resid 129  and name HB1 ))
   (  segid "    " and resid 147  and name HD1%)
      6.000     4.500     0.000 peak  3049 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.901 ppm2     -0.462 CV     1
 ASSI { 3051}
   (( segid "    " and resid 152  and name HB1 ))
   (  segid "    " and resid 147  and name HD2%)
      6.000     4.500     0.000 peak  3051 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.679 ppm2     -0.571 CV     1
 ASSI { 3061}
   (( segid "    " and resid 10   and name HB2 ))
   (( segid "    " and resid 10   and name HB1 ))
      6.000     4.500     0.000 peak  3061 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.384 ppm2      0.643 CV     1
 ASSI { 3066}
   (( segid "    " and resid 103  and name HB2 ))
   (( segid "    " and resid 103  and name HB1 ))
      6.000     4.500     0.000 peak  3066 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.009 ppm2      2.681 CV     1
 ASSI { 3067}
   (( segid "    " and resid 103  and name HB2 ))
   (( segid "    " and resid 138  and name HB1 ))
      6.000     4.500     0.000 peak  3067 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.009 ppm2      2.422 CV     1
 ASSI { 3068}
   (( segid "    " and resid 103  and name HB2 ))
   (( segid "    " and resid 138  and name HG1 ))
      6.000     4.500     0.000 peak  3068 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.011 ppm2      2.002 CV     1
 OR { 3068}
   (( segid "    " and resid 103  and name HB2 ))
   (( segid "    " and resid 138  and name HG2 ))
 ASSI { 3078}
   (( segid "    " and resid 49   and name HB1 ))
   (( segid "    " and resid 48   and name HB2 ))
      6.000     4.500     0.000 peak  3078 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.677 ppm2      2.324 CV     1
 ASSI { 3080}
   (( segid "    " and resid 131  and name HB  ))
   (( segid "    " and resid 131  and name HG11))
      6.000     4.500     0.000 peak  3080 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.155 ppm2      1.657 CV     1
 OR { 3080}
   (( segid "    " and resid 131  and name HB  ))
   (( segid "    " and resid 131  and name HG12))
 ASSI { 3082}
   (( segid "    " and resid 131  and name HB  ))
   (  segid "    " and resid 59   and name HB% )
      6.000     4.500     0.000 peak  3082 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.152 ppm2      1.271 CV     1
 ASSI { 3083}
   (( segid "    " and resid 131  and name HB  ))
   (  segid "    " and resid 132  and name HB% )
      6.000     4.500     0.000 peak  3083 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.149 ppm2      1.002 CV     1
 ASSI { 3084}
   (( segid "    " and resid 131  and name HB  ))
   (  segid "    " and resid 131  and name HG2%)
      6.000     4.500     0.000 peak  3084 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.152 ppm2      0.854 CV     1
 ASSI { 3087}
   (( segid "    " and resid 137  and name HB2 ))
   (( segid "    " and resid 137  and name HB1 ))
      6.000     4.500     0.000 peak  3087 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.384 ppm2      3.248 CV     1
 ASSI { 3093}
   (( segid "    " and resid 33   and name HB  ))
   (  segid "    " and resid 33   and name HD1%)
      6.000     4.500     0.000 peak  3093 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.787 ppm2      0.918 CV     1
 ASSI { 3098}
   (( segid "    " and resid 116  and name HB2 ))
   (( segid "    " and resid 116  and name HB1 ))
      6.000     4.500     0.000 peak  3098 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.078 ppm2      2.971 CV     1
 ASSI { 3101}
   (( segid "    " and resid 116  and name HB1 ))
   (( segid "    " and resid 116  and name HA  ))
      6.000     4.500     0.000 peak  3101 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.976 ppm2      4.188 CV     1
 ASSI { 3103}
   (( segid "    " and resid 67   and name HG2 ))
   (( segid "    " and resid 67   and name HG1 ))
      6.000     4.500     0.000 peak  3103 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.154 ppm2      1.982 CV     1
 ASSI { 3104}
   (( segid "    " and resid 67   and name HG2 ))
   (( segid "    " and resid 67   and name HB1 ))
      6.000     4.500     0.000 peak  3104 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.155 ppm2      1.863 CV     1
 OR { 3104}
   (( segid "    " and resid 67   and name HG2 ))
   (( segid "    " and resid 67   and name HB2 ))
 ASSI { 3108}
   (( segid "    " and resid 67   and name HG1 ))
   (( segid "    " and resid 66   and name HG2 ))
      6.000     4.500     0.000 peak  3108 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.981 ppm2      1.723 CV     1
 ASSI { 3113}
   (( segid "    " and resid 146  and name HB  ))
   (( segid "    " and resid 146  and name HA  ))
      6.000     4.500     0.000 peak  3113 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.793 ppm2      3.658 CV     1
 ASSI { 3114}
   (( segid "    " and resid 146  and name HB  ))
   (( segid "    " and resid 150  and name HG1 ))
      6.000     4.500     0.000 peak  3114 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.789 ppm2      1.426 CV     1
 ASSI { 3115}
   (( segid "    " and resid 146  and name HB  ))
   (( segid "    " and resid 125  and name HG  ))
      6.000     4.500     0.000 peak  3115 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.793 ppm2      0.331 CV     1
 ASSI { 3116}
   (( segid "    " and resid 28   and name HB  ))
   (( segid "    " and resid 28   and name HA  ))
      6.000     4.500     0.000 peak  3116 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.578 ppm2      3.778 CV     1
 ASSI { 3117}
   (( segid "    " and resid 28   and name HB  ))
   (( segid "    " and resid 31   and name HB2 ))
      6.000     4.500     0.000 peak  3117 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.581 ppm2      3.615 CV     1
 OR { 3117}
   (( segid "    " and resid 28   and name HB  ))
   (( segid "    " and resid 31   and name HB1 ))
 ASSI { 3118}
   (( segid "    " and resid 28   and name HB  ))
   (( segid "    " and resid 28   and name HG11))
      6.000     4.500     0.000 peak  3118 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.583 ppm2      2.087 CV     1
 OR { 3118}
   (( segid "    " and resid 28   and name HB  ))
   (( segid "    " and resid 28   and name HG12))
 ASSI { 3119}
   (( segid "    " and resid 28   and name HB  ))
   (  segid "    " and resid 28   and name HD1%)
      6.000     4.500     0.000 peak  3119 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.582 ppm2      0.795 CV     1
 ASSI { 3120}
   (( segid "    " and resid 39   and name HB2 ))
   (( segid "    " and resid 158  and name HB2 ))
      6.000     4.500     0.000 peak  3120 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.373 ppm2      3.071 CV     1
 ASSI { 3126}
   (( segid "    " and resid 19   and name HB2 ))
   (( segid "    " and resid 19   and name HB1 ))
      6.000     4.500     0.000 peak  3126 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.859 ppm2      2.695 CV     1
 ASSI { 3128}
   (( segid "    " and resid 39   and name HB1 ))
   (( segid "    " and resid 158  and name HB2 ))
      6.000     4.500     0.000 peak  3128 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.770 ppm2      3.071 CV     1
 ASSI { 3129}
   (( segid "    " and resid 39   and name HB1 ))
   (( segid "    " and resid 54   and name HB2 ))
      6.000     4.500     0.000 peak  3129 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.767 ppm2      0.948 CV     1
 ASSI { 3132}
   (( segid "    " and resid 67   and name HG2 ))
   (  segid "    " and resid 111  and name HD2%)
      6.000     4.500     0.000 peak  3132 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.150 ppm2      0.356 CV     1
 ASSI { 3133}
   (( segid "    " and resid 67   and name HG2 ))
   (( segid "    " and resid 68   and name HB2 ))
      6.000     4.500     0.000 peak  3133 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.143 ppm2      2.313 CV     1
 OR { 3133}
   (( segid "    " and resid 67   and name HG2 ))
   (( segid "    " and resid 68   and name HB1 ))
 ASSI { 3136}
   (( segid "    " and resid 67   and name HG1 ))
   (( segid "    " and resid 111  and name HB2 ))
      6.000     4.500     0.000 peak  3136 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.986 ppm2      1.371 CV     1
 ASSI { 3137}
   (( segid "    " and resid 67   and name HG1 ))
   (( segid "    " and resid 111  and name HB1 ))
      6.000     4.500     0.000 peak  3137 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.984 ppm2      0.903 CV     1
 ASSI { 3138}
   (( segid "    " and resid 67   and name HG1 ))
   (  segid "    " and resid 111  and name HD2%)
      6.000     4.500     0.000 peak  3138 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.986 ppm2      0.344 CV     1
 ASSI { 3142}
   (( segid "    " and resid 28   and name HB  ))
   (  segid "    " and resid 28   and name HG2%)
      6.000     4.500     0.000 peak  3142 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.580 ppm2      0.612 CV     1
 ASSI { 3143}
   (( segid "    " and resid 39   and name HB2 ))
   (( segid "    " and resid 54   and name HG  ))
      6.000     4.500     0.000 peak  3143 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.367 ppm2      0.234 CV     1
 ASSI { 3144}
   (( segid "    " and resid 123  and name HB2 ))
   (( segid "    " and resid 123  and name HB1 ))
      6.000     4.500     0.000 peak  3144 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.354 ppm2      2.792 CV     1
 ASSI { 3154}
   (( segid "    " and resid 39   and name HB1 ))
   (( segid "    " and resid 54   and name HG  ))
      6.000     4.500     0.000 peak  3154 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.771 ppm2      0.234 CV     1
 ASSI { 3156}
   (( segid "    " and resid 19   and name HB1 ))
   (  segid "    " and resid 20   and name HB% )
      6.000     4.500     0.000 peak  3156 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.701 ppm2      1.459 CV     1
 ASSI { 3159}
   (( segid "    " and resid 98   and name HB  ))
   (  segid "    " and resid 98   and name HG2%)
      6.000     4.500     0.000 peak  3159 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.115 ppm2      0.831 CV     1
 ASSI { 3168}
   (( segid "    " and resid 141  and name HG2 ))
   (( segid "    " and resid 141  and name HA  ))
      6.000     4.500     0.000 peak  3168 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.290 ppm2      4.292 CV     1
 ASSI { 3169}
   (( segid "    " and resid 141  and name HG2 ))
   (( segid "    " and resid 146  and name HG11))
      6.000     4.500     0.000 peak  3169 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.292 ppm2      1.003 CV     1
 ASSI { 3170}
   (( segid "    " and resid 141  and name HG2 ))
   (  segid "    " and resid 146  and name HD1%)
      6.000     4.500     0.000 peak  3170 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.290 ppm2      0.477 CV     1
 ASSI { 3171}
   (( segid "    " and resid 141  and name HG2 ))
   (( segid "    " and resid 141  and name HG1 ))
      6.000     4.500     0.000 peak  3171 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.289 ppm2      2.047 CV     1
 ASSI { 3172}
   (( segid "    " and resid 141  and name HG2 ))
   (( segid "    " and resid 141  and name HB2 ))
      6.000     4.500     0.000 peak  3172 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.287 ppm2      1.879 CV     1
 ASSI { 3173}
   (( segid "    " and resid 141  and name HG2 ))
   (( segid "    " and resid 146  and name HG12))
      6.000     4.500     0.000 peak  3173 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.287 ppm2      1.605 CV     1
 ASSI { 3174}
   (( segid "    " and resid 141  and name HG1 ))
   (( segid "    " and resid 141  and name HA  ))
      6.000     4.500     0.000 peak  3174 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.059 ppm2      4.295 CV     1
 ASSI { 3177}
   (( segid "    " and resid 141  and name HG1 ))
   (( segid "    " and resid 141  and name HB2 ))
      6.000     4.500     0.000 peak  3177 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.060 ppm2      1.866 CV     1
 ASSI { 3178}
   (( segid "    " and resid 141  and name HG1 ))
   (( segid "    " and resid 146  and name HG12))
      6.000     4.500     0.000 peak  3178 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.063 ppm2      1.596 CV     1
 ASSI { 3184}
   (( segid "    " and resid 71   and name HB2 ))
   (( segid "    " and resid 71   and name HB1 ))
      6.000     4.500     0.000 peak  3184 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.102 ppm2      2.620 CV     1
 ASSI { 3186}
   (( segid "    " and resid 16   and name HG2 ))
   (( segid "    " and resid 16   and name HA  ))
      6.000     4.500     0.000 peak  3186 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.389 ppm2      4.104 CV     1
 ASSI { 3187}
   (( segid "    " and resid 16   and name HG2 ))
   (( segid "    " and resid 16   and name HG1 ))
      6.000     4.500     0.000 peak  3187 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.385 ppm2      2.352 CV     1
 ASSI { 3188}
   (( segid "    " and resid 16   and name HG2 ))
   (( segid "    " and resid 16   and name HB1 ))
      6.000     4.500     0.000 peak  3188 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.387 ppm2      2.172 CV     1
 ASSI { 3189}
   (( segid "    " and resid 16   and name HG1 ))
   (( segid "    " and resid 13   and name HB2 ))
      6.000     4.500     0.000 peak  3189 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.344 ppm2      4.414 CV     1
 ASSI { 3192}
   (( segid "    " and resid 16   and name HG1 ))
   (( segid "    " and resid 16   and name HB1 ))
      6.000     4.500     0.000 peak  3192 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.341 ppm2      2.156 CV     1
 ASSI { 3193}
   (( segid "    " and resid 104  and name HG2 ))
   (( segid "    " and resid 104  and name HA  ))
      6.000     4.500     0.000 peak  3193 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.606 ppm2      4.288 CV     1
 ASSI { 3194}
   (( segid "    " and resid 104  and name HG2 ))
   (( segid "    " and resid 104  and name HB2 ))
      6.000     4.500     0.000 peak  3194 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.605 ppm2      2.387 CV     1
 ASSI { 3196}
   (( segid "    " and resid 104  and name HG2 ))
   (( segid "    " and resid 113  and name HB  ))
      6.000     4.500     0.000 peak  3196 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.607 ppm2      1.928 CV     1
 ASSI { 3197}
   (( segid "    " and resid 104  and name HG2 ))
   (( segid "    " and resid 104  and name HB1 ))
      6.000     4.500     0.000 peak  3197 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.602 ppm2      2.181 CV     1
 ASSI { 3198}
   (( segid "    " and resid 104  and name HG2 ))
   (( segid "    " and resid 66   and name HG2 ))
      6.000     4.500     0.000 peak  3198 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.593 ppm2      1.756 CV     1
 ASSI { 3200}
   (( segid "    " and resid 104  and name HG2 ))
   (( segid "    " and resid 106  and name HG11))
      6.000     4.500     0.000 peak  3200 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.596 ppm2      1.073 CV     1
 OR { 3200}
   (( segid "    " and resid 104  and name HG2 ))
   (( segid "    " and resid 106  and name HG12))
 ASSI { 3201}
   (( segid "    " and resid 104  and name HG2 ))
   (  segid "    " and resid 106  and name HD1%)
      6.000     4.500     0.000 peak  3201 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.601 ppm2      0.626 CV     1
 ASSI { 3203}
   (( segid "    " and resid 104  and name HG1 ))
   (( segid "    " and resid 104  and name HB2 ))
      6.000     4.500     0.000 peak  3203 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.528 ppm2      2.369 CV     1
 ASSI { 3204}
   (( segid "    " and resid 104  and name HG1 ))
   (( segid "    " and resid 113  and name HB  ))
      6.000     4.500     0.000 peak  3204 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.530 ppm2      1.906 CV     1
 ASSI { 3206}
   (( segid "    " and resid 104  and name HG1 ))
   (  segid "    " and resid 106  and name HD1%)
      6.000     4.500     0.000 peak  3206 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.528 ppm2      0.625 CV     1
 ASSI { 3207}
   (( segid "    " and resid 30   and name HG2 ))
   (( segid "    " and resid 30   and name HA  ))
      6.000     4.500     0.000 peak  3207 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.184 ppm2      3.924 CV     1
 ASSI { 3208}
   (( segid "    " and resid 58   and name HB  ))
   (  segid "    " and resid 36   and name HG2%)
      6.000     4.500     0.000 peak  3208 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.984 ppm2      1.354 CV     1
 ASSI { 3209}
   (( segid "    " and resid 58   and name HB  ))
   (  segid "    " and resid 58   and name HG2%)
      6.000     4.500     0.000 peak  3209 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.985 ppm2      1.003 CV     1
 OR { 3209}
   (( segid "    " and resid 58   and name HB  ))
   (  segid "    " and resid 58   and name HG1%)
 ASSI { 3211}
   (( segid "    " and resid 58   and name HB  ))
   (  segid "    " and resid 7    and name HD1%)
      6.000     4.500     0.000 peak  3211 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.986 ppm2      0.696 CV     1
 ASSI { 3212}
   (( segid "    " and resid 77   and name HG2 ))
   (( segid "    " and resid 77   and name HA  ))
      6.000     4.500     0.000 peak  3212 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.864 ppm2      3.754 CV     1
 ASSI { 3213}
   (( segid "    " and resid 77   and name HG2 ))
   (( segid "    " and resid 77   and name HB2 ))
      6.000     4.500     0.000 peak  3213 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.871 ppm2      2.586 CV     1
 ASSI { 3214}
   (( segid "    " and resid 77   and name HG2 ))
   (( segid "    " and resid 77   and name HG1 ))
      6.000     4.500     0.000 peak  3214 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.866 ppm2      1.957 CV     1
 ASSI { 3218}
   (( segid "    " and resid 77   and name HG2 ))
   (  segid "    " and resid 96   and name HD2%)
      6.000     4.500     0.000 peak  3218 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.858 ppm2      1.146 CV     1
 ASSI { 3220}
   (( segid "    " and resid 80   and name HG2 ))
   (  segid "    " and resid 21   and name HB% )
      6.000     4.500     0.000 peak  3220 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.516 ppm2      1.579 CV     1
 ASSI { 3221}
   (( segid "    " and resid 80   and name HG2 ))
   (( segid "    " and resid 80   and name HB2 ))
      6.000     4.500     0.000 peak  3221 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.502 ppm2      2.865 CV     1
 ASSI { 3222}
   (( segid "    " and resid 80   and name HG2 ))
   (( segid "    " and resid 80   and name HG1 ))
      6.000     4.500     0.000 peak  3222 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.507 ppm2      2.242 CV     1
 ASSI { 3223}
   (( segid "    " and resid 80   and name HG2 ))
   (( segid "    " and resid 80   and name HB1 ))
      6.000     4.500     0.000 peak  3223 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.508 ppm2      1.793 CV     1
 ASSI { 3224}
   (( segid "    " and resid 80   and name HG2 ))
   (  segid "    " and resid 20   and name HB% )
      6.000     4.500     0.000 peak  3224 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.506 ppm2      1.455 CV     1
 ASSI { 3227}
   (( segid "    " and resid 68   and name HG1 ))
   (( segid "    " and resid 69   and name HB2 ))
      6.000     4.500     0.000 peak  3227 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.415 ppm2      2.248 CV     1
 OR { 3227}
   (( segid "    " and resid 68   and name HG2 ))
   (( segid "    " and resid 69   and name HB2 ))
 ASSI { 3229}
   (( segid "    " and resid 68   and name HG1 ))
   (( segid "    " and resid 64   and name HB1 ))
      6.000     4.500     0.000 peak  3229 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.415 ppm2      1.463 CV     1
 OR { 3229}
   (( segid "    " and resid 68   and name HG2 ))
   (( segid "    " and resid 64   and name HB1 ))
 ASSI { 3230}
   (( segid "    " and resid 68   and name HG2 ))
   (( segid "    " and resid 64   and name HG  ))
      6.000     4.500     0.000 peak  3230 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.416 ppm2      0.746 CV     1
 OR { 3230}
   (( segid "    " and resid 68   and name HG1 ))
   (( segid "    " and resid 64   and name HG  ))
 ASSI { 3231}
   (( segid "    " and resid 87   and name HG1 ))
   (( segid "    " and resid 87   and name HB1 ))
      6.000     4.500     0.000 peak  3231 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.339 ppm2      2.037 CV     1
 OR { 3231}
   (( segid "    " and resid 87   and name HG1 ))
   (( segid "    " and resid 87   and name HB2 ))
 OR { 3231}
   (( segid "    " and resid 87   and name HG2 ))
   (( segid "    " and resid 87   and name HB2 ))
 OR { 3231}
   (( segid "    " and resid 87   and name HG2 ))
   (( segid "    " and resid 87   and name HB1 ))
 ASSI { 3232}
   (( segid "    " and resid 109  and name HG1 ))
   (( segid "    " and resid 109  and name HB2 ))
      6.000     4.500     0.000 peak  3232 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.281 ppm2      2.042 CV     1
 OR { 3232}
   (( segid "    " and resid 109  and name HG1 ))
   (( segid "    " and resid 109  and name HB1 ))
 ASSI { 3235}
   (( segid "    " and resid 80   and name HG1 ))
   (( segid "    " and resid 80   and name HB2 ))
      6.000     4.500     0.000 peak  3235 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.256 ppm2      2.878 CV     1
 ASSI { 3238}
   (( segid "    " and resid 30   and name HG2 ))
   (( segid "    " and resid 64   and name HB1 ))
      6.000     4.500     0.000 peak  3238 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.188 ppm2      1.496 CV     1
 ASSI { 3239}
   (( segid "    " and resid 30   and name HG2 ))
   (( segid "    " and resid 63   and name HB1 ))
      6.000     4.500     0.000 peak  3239 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.177 ppm2      4.071 CV     1
 OR { 3239}
   (( segid "    " and resid 30   and name HG2 ))
   (( segid "    " and resid 63   and name HB2 ))
 ASSI { 3240}
   (( segid "    " and resid 30   and name HG2 ))
   (( segid "    " and resid 64   and name HG  ))
      6.000     4.500     0.000 peak  3240 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.182 ppm2      0.755 CV     1
 ASSI { 3241}
   (( segid "    " and resid 30   and name HG1 ))
   (( segid "    " and resid 63   and name HB1 ))
      6.000     4.500     0.000 peak  3241 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.110 ppm2      4.066 CV     1
 OR { 3241}
   (( segid "    " and resid 30   and name HG1 ))
   (( segid "    " and resid 63   and name HB2 ))
 ASSI { 3244}
   (( segid "    " and resid 30   and name HG1 ))
   (( segid "    " and resid 64   and name HB1 ))
      6.000     4.500     0.000 peak  3244 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.117 ppm2      1.514 CV     1
 ASSI { 3245}
   (( segid "    " and resid 30   and name HG1 ))
   (( segid "    " and resid 64   and name HG  ))
      6.000     4.500     0.000 peak  3245 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.114 ppm2      0.761 CV     1
 ASSI { 3246}
   (( segid "    " and resid 77   and name HG1 ))
   (  segid "    " and resid 96   and name HD2%)
      6.000     4.500     0.000 peak  3246 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.980 ppm2      1.125 CV     1
 ASSI { 3252}
   (( segid "    " and resid 68   and name HG1 ))
   (( segid "    " and resid 68   and name HA  ))
      6.000     4.500     0.000 peak  3252 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.415 ppm2      4.338 CV     1
 OR { 3252}
   (( segid "    " and resid 68   and name HG2 ))
   (( segid "    " and resid 68   and name HA  ))
 ASSI { 3254}
   (( segid "    " and resid 68   and name HG2 ))
   (( segid "    " and resid 67   and name HB2 ))
      6.000     4.500     0.000 peak  3254 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.415 ppm2      1.841 CV     1
 OR { 3254}
   (( segid "    " and resid 68   and name HG1 ))
   (( segid "    " and resid 67   and name HB2 ))
 OR { 3254}
   (( segid "    " and resid 68   and name HG2 ))
   (( segid "    " and resid 67   and name HB1 ))
 ASSI { 3255}
   (( segid "    " and resid 68   and name HG1 ))
   (( segid "    " and resid 64   and name HB2 ))
      6.000     4.500     0.000 peak  3255 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.415 ppm2      1.746 CV     1
 OR { 3255}
   (( segid "    " and resid 68   and name HG2 ))
   (( segid "    " and resid 64   and name HB2 ))
 ASSI { 3256}
   (( segid "    " and resid 68   and name HG1 ))
   (( segid "    " and resid 69   and name HB1 ))
      6.000     4.500     0.000 peak  3256 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.413 ppm2      1.323 CV     1
 OR { 3256}
   (( segid "    " and resid 68   and name HG2 ))
   (( segid "    " and resid 69   and name HB1 ))
 ASSI { 3260}
   (( segid "    " and resid 87   and name HG2 ))
   (( segid "    " and resid 88   and name HG1 ))
      6.000     4.500     0.000 peak  3260 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.335 ppm2      1.118 CV     1
 OR { 3260}
   (( segid "    " and resid 87   and name HG2 ))
   (( segid "    " and resid 88   and name HG2 ))
 OR { 3260}
   (( segid "    " and resid 87   and name HG1 ))
   (( segid "    " and resid 88   and name HG1 ))
 OR { 3260}
   (( segid "    " and resid 87   and name HG1 ))
   (( segid "    " and resid 88   and name HG2 ))
 ASSI { 3263}
   (( segid "    " and resid 80   and name HG1 ))
   (  segid "    " and resid 20   and name HB% )
      6.000     4.500     0.000 peak  3263 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.284 ppm2      1.478 CV     1
 ASSI { 3264}
   (( segid "    " and resid 61   and name HG2 ))
   (( segid "    " and resid 61   and name HG1 ))
      6.000     4.500     0.000 peak  3264 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.225 ppm2      1.938 CV     1
 ASSI { 3265}
   (( segid "    " and resid 61   and name HG2 ))
   (( segid "    " and resid 61   and name HB2 ))
      6.000     4.500     0.000 peak  3265 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.225 ppm2      1.771 CV     1
 ASSI { 3268}
   (( segid "    " and resid 61   and name HG2 ))
   (  segid "    " and resid 34   and name HD2%)
      6.000     4.500     0.000 peak  3268 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.228 ppm2      0.824 CV     1
 ASSI { 3269}
   (( segid "    " and resid 61   and name HG2 ))
   (( segid "    " and resid 61   and name HB1 ))
      6.000     4.500     0.000 peak  3269 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.222 ppm2      1.315 CV     1
 ASSI { 3277}
   (( segid "    " and resid 61   and name HG1 ))
   (( segid "    " and resid 61   and name HB2 ))
      6.000     4.500     0.000 peak  3277 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.937 ppm2      1.768 CV     1
 ASSI { 3283}
   (( segid "    " and resid 74   and name HG2 ))
   (( segid "    " and resid 74   and name HG1 ))
      6.000     4.500     0.000 peak  3283 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.957 ppm2      2.431 CV     1
 ASSI { 3285}
   (( segid "    " and resid 134  and name HG2 ))
   (( segid "    " and resid 134  and name HG1 ))
      6.000     4.500     0.000 peak  3285 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.312 ppm2      2.126 CV     1
 ASSI { 3286}
   (( segid "    " and resid 134  and name HG2 ))
   (( segid "    " and resid 134  and name HB1 ))
      6.000     4.500     0.000 peak  3286 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.313 ppm2      1.762 CV     1
 ASSI { 3287}
   (( segid "    " and resid 134  and name HG1 ))
   (( segid "    " and resid 134  and name HG2 ))
      6.000     4.500     0.000 peak  3287 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.122 ppm2      2.311 CV     1
 OR { 3287}
   (( segid "    " and resid 134  and name HG1 ))
   (( segid "    " and resid 134  and name HB2 ))
 ASSI { 3288}
   (( segid "    " and resid 134  and name HG1 ))
   (( segid "    " and resid 134  and name HB1 ))
      6.000     4.500     0.000 peak  3288 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.121 ppm2      1.764 CV     1
 ASSI { 3290}
   (( segid "    " and resid 74   and name HG2 ))
   (( segid "    " and resid 74   and name HA  ))
      6.000     4.500     0.000 peak  3290 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.960 ppm2      4.234 CV     1
 ASSI { 3291}
   (( segid "    " and resid 74   and name HG2 ))
   (( segid "    " and resid 74   and name HB2 ))
      6.000     4.500     0.000 peak  3291 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.961 ppm2      2.256 CV     1
 ASSI { 3292}
   (( segid "    " and resid 74   and name HG2 ))
   (( segid "    " and resid 74   and name HB1 ))
      6.000     4.500     0.000 peak  3292 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.959 ppm2      1.918 CV     1
 ASSI { 3293}
   (( segid "    " and resid 74   and name HG2 ))
   (  segid "    " and resid 70   and name HD1%)
      6.000     4.500     0.000 peak  3293 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.963 ppm2      0.722 CV     1
 ASSI { 3299}
   (( segid "    " and resid 36   and name HB  ))
   (  segid "    " and resid 36   and name HG2%)
      6.000     4.500     0.000 peak  3299 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.968 ppm2      1.357 CV     1
 ASSI { 3300}
   (( segid "    " and resid 36   and name HB  ))
   (  segid "    " and resid 36   and name HG1%)
      6.000     4.500     0.000 peak  3300 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.968 ppm2      1.118 CV     1
 ASSI { 3303}
   (( segid "    " and resid 114  and name HB2 ))
   (( segid "    " and resid 114  and name HD2 ))
      6.000     4.500     0.000 peak  3303 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.881 ppm2      3.668 CV     1
 ASSI { 3305}
   (( segid "    " and resid 124  and name HB2 ))
   (( segid "    " and resid 119  and name HB1 ))
      6.000     4.500     0.000 peak  3305 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.177 ppm2      1.536 CV     1
 OR { 3305}
   (( segid "    " and resid 124  and name HB1 ))
   (( segid "    " and resid 119  and name HB1 ))
 ASSI { 3308}
   (( segid "    " and resid 114  and name HB2 ))
   (( segid "    " and resid 114  and name HG2 ))
      6.000     4.500     0.000 peak  3308 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.877 ppm2      2.471 CV     1
 ASSI { 3309}
   (( segid "    " and resid 114  and name HB2 ))
   (( segid "    " and resid 114  and name HB1 ))
      6.000     4.500     0.000 peak  3309 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.880 ppm2      2.108 CV     1
 ASSI { 3313}
   (( segid "    " and resid 99   and name HB2 ))
   (  segid "    " and resid 57   and name HB% )
      6.000     4.500     0.000 peak  3313 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.256 ppm2      1.369 CV     1
 ASSI { 3321}
   (( segid "    " and resid 99   and name HB1 ))
   (( segid "    " and resid 99   and name HB2 ))
      6.000     4.500     0.000 peak  3321 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.140 ppm2      2.251 CV     1
 ASSI { 3324}
   (( segid "    " and resid 99   and name HB1 ))
   (( segid "    " and resid 4    and name HB2 ))
      6.000     4.500     0.000 peak  3324 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.127 ppm2      2.729 CV     1
 ASSI { 3325}
   (( segid "    " and resid 114  and name HB1 ))
   (( segid "    " and resid 114  and name HD1 ))
      6.000     4.500     0.000 peak  3325 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.120 ppm2      4.183 CV     1
 ASSI { 3326}
   (( segid "    " and resid 114  and name HB1 ))
   (( segid "    " and resid 114  and name HD2 ))
      6.000     4.500     0.000 peak  3326 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.115 ppm2      3.687 CV     1
 ASSI { 3328}
   (( segid "    " and resid 114  and name HB1 ))
   (( segid "    " and resid 114  and name HG2 ))
      6.000     4.500     0.000 peak  3328 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.114 ppm2      2.478 CV     1
 ASSI { 3330}
   (( segid "    " and resid 114  and name HB1 ))
   (  segid "    " and resid 100  and name HD1%)
      6.000     4.500     0.000 peak  3330 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.110 ppm2      1.070 CV     1
 ASSI { 3338}
   (( segid "    " and resid 79   and name HG2 ))
   (( segid "    " and resid 78   and name HB1 ))
      6.000     4.500     0.000 peak  3338 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.681 ppm2      1.797 CV     1
 ASSI { 3339}
   (( segid "    " and resid 79   and name HG2 ))
   (( segid "    " and resid 75   and name HG1 ))
      6.000     4.500     0.000 peak  3339 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.683 ppm2      1.577 CV     1
 ASSI { 3343}
   (( segid "    " and resid 79   and name HG2 ))
   (( segid "    " and resid 78   and name HB2 ))
      6.000     4.500     0.000 peak  3343 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.670 ppm2      1.991 CV     1
 ASSI { 3344}
   (( segid "    " and resid 79   and name HG1 ))
   (( segid "    " and resid 75   and name HG2 ))
      6.000     4.500     0.000 peak  3344 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.592 ppm2      1.701 CV     1
 ASSI { 3345}
   (( segid "    " and resid 79   and name HG1 ))
   (( segid "    " and resid 75   and name HG1 ))
      6.000     4.500     0.000 peak  3345 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.590 ppm2      1.578 CV     1
 ASSI { 3346}
   (( segid "    " and resid 79   and name HG1 ))
   (( segid "    " and resid 79   and name HA  ))
      6.000     4.500     0.000 peak  3346 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.584 ppm2      4.181 CV     1
 ASSI { 3347}
   (( segid "    " and resid 79   and name HG1 ))
   (( segid "    " and resid 76   and name HA  ))
      6.000     4.500     0.000 peak  3347 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.583 ppm2      3.599 CV     1
 ASSI { 3349}
   (( segid "    " and resid 79   and name HG1 ))
   (  segid "    " and resid 76   and name HG2%)
      6.000     4.500     0.000 peak  3349 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.587 ppm2      0.836 CV     1
 ASSI { 3350}
   (( segid "    " and resid 48   and name HG2 ))
   (( segid "    " and resid 48   and name HB2 ))
      6.000     4.500     0.000 peak  3350 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.573 ppm2      2.310 CV     1
 ASSI { 3357}
   (( segid "    " and resid 142  and name HB2 ))
   (( segid "    " and resid 142  and name HG1 ))
      6.000     4.500     0.000 peak  3357 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.275 ppm2      2.654 CV     1
 ASSI { 3361}
   (( segid "    " and resid 142  and name HB1 ))
   (( segid "    " and resid 142  and name HB2 ))
      6.000     4.500     0.000 peak  3361 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.103 ppm2      2.261 CV     1
 ASSI { 3362}
   (( segid "    " and resid 142  and name HB1 ))
   (( segid "    " and resid 135  and name HB2 ))
      6.000     4.500     0.000 peak  3362 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.102 ppm2      1.742 CV     1
 ASSI { 3374}
   (( segid "    " and resid 145  and name HG1 ))
   (( segid "    " and resid 145  and name HB2 ))
      6.000     4.500     0.000 peak  3374 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.488 ppm2      2.306 CV     1
 OR { 3374}
   (( segid "    " and resid 145  and name HG1 ))
   (( segid "    " and resid 145  and name HB1 ))
 OR { 3374}
   (( segid "    " and resid 145  and name HG2 ))
   (( segid "    " and resid 145  and name HB2 ))
 OR { 3374}
   (( segid "    " and resid 145  and name HG2 ))
   (( segid "    " and resid 145  and name HB1 ))
 ASSI { 3376}
   (( segid "    " and resid 145  and name HG1 ))
   (( segid "    " and resid 146  and name HG12))
      6.000     4.500     0.000 peak  3376 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.490 ppm2      1.595 CV     1
 OR { 3376}
   (( segid "    " and resid 145  and name HG2 ))
   (( segid "    " and resid 146  and name HG12))
 ASSI { 3379}
   (( segid "    " and resid 145  and name HG1 ))
   (( segid "    " and resid 146  and name HG11))
      6.000     4.500     0.000 peak  3379 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.491 ppm2      0.971 CV     1
 OR { 3379}
   (( segid "    " and resid 145  and name HG2 ))
   (( segid "    " and resid 146  and name HG11))
 ASSI { 3386}
   (( segid "    " and resid 142  and name HB2 ))
   (( segid "    " and resid 142  and name HG2 ))
      6.000     4.500     0.000 peak  3386 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.260 ppm2      2.821 CV     1
 ASSI { 3387}
   (( segid "    " and resid 142  and name HB2 ))
   (( segid "    " and resid 145  and name HG1 ))
      6.000     4.500     0.000 peak  3387 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.260 ppm2      2.483 CV     1
 OR { 3387}
   (( segid "    " and resid 142  and name HB2 ))
   (( segid "    " and resid 145  and name HG2 ))
 ASSI { 3389}
   (( segid "    " and resid 118  and name HB1 ))
   (( segid "    " and resid 119  and name HG2 ))
      6.000     4.500     0.000 peak  3389 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.980 ppm2      1.328 CV     1
 OR { 3389}
   (( segid "    " and resid 118  and name HB2 ))
   (( segid "    " and resid 119  and name HG2 ))
 ASSI { 3391}
   (( segid "    " and resid 14   and name HB1 ))
   (  segid "    " and resid 54   and name HD1%)
      6.000     4.500     0.000 peak  3391 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.884 ppm2     -0.632 CV     1
 OR { 3391}
   (( segid "    " and resid 14   and name HB1 ))
   (  segid "    " and resid 54   and name HD2%)
 ASSI { 3392}
   (( segid "    " and resid 14   and name HB1 ))
   (( segid "    " and resid 14   and name HB2 ))
      6.000     4.500     0.000 peak  3392 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.871 ppm2      1.143 CV     1
 ASSI { 3402}
   (( segid "    " and resid 14   and name HB2 ))
   (( segid "    " and resid 14   and name HG1 ))
      6.000     4.500     0.000 peak  3402 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.145 ppm2      1.456 CV     1
 ASSI { 3404}
   (( segid "    " and resid 14   and name HB2 ))
   (( segid "    " and resid 14   and name HG2 ))
      6.000     4.500     0.000 peak  3404 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.135 ppm2      2.172 CV     1
 ASSI { 3407}
   (( segid "    " and resid 14   and name HB2 ))
   (( segid "    " and resid 54   and name HB2 ))
      6.000     4.500     0.000 peak  3407 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.139 ppm2      0.973 CV     1
 ASSI { 3410}
   (( segid "    " and resid 14   and name HB2 ))
   (  segid "    " and resid 54   and name HD1%)
      6.000     4.500     0.000 peak  3410 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.133 ppm2     -0.631 CV     1
 OR { 3410}
   (( segid "    " and resid 14   and name HB2 ))
   (  segid "    " and resid 54   and name HD2%)
 ASSI { 3416}
   (( segid "    " and resid 118  and name HB2 ))
   (  segid "    " and resid 125  and name HD2%)
      6.000     4.500     0.000 peak  3416 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.985 ppm2      0.475 CV     1
 OR { 3416}
   (( segid "    " and resid 118  and name HB1 ))
   (  segid "    " and resid 125  and name HD2%)
 OR { 3416}
   (( segid "    " and resid 118  and name HB2 ))
   (  segid "    " and resid 125  and name HD1%)
 OR { 3416}
   (( segid "    " and resid 118  and name HB1 ))
   (  segid "    " and resid 125  and name HD1%)
 ASSI { 3426}
   (( segid "    " and resid 14   and name HB1 ))
   (( segid "    " and resid 14   and name HG1 ))
      6.000     4.500     0.000 peak  3426 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.892 ppm2      1.476 CV     1
 ASSI { 3427}
   (( segid "    " and resid 14   and name HB1 ))
   (( segid "    " and resid 54   and name HB1 ))
      6.000     4.500     0.000 peak  3427 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.888 ppm2      0.383 CV     1
 ASSI { 3430}
   (( segid "    " and resid 99   and name HG1 ))
   (  segid "    " and resid 57   and name HB% )
      6.000     4.500     0.000 peak  3430 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.201 ppm2      1.349 CV     1
 ASSI { 3431}
   (( segid "    " and resid 99   and name HG1 ))
   (( segid "    " and resid 99   and name HG2 ))
      6.000     4.500     0.000 peak  3431 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.198 ppm2      2.699 CV     1
 ASSI { 3433}
   (( segid "    " and resid 83   and name HB  ))
   (( segid "    " and resid 85   and name HG2 ))
      6.000     4.500     0.000 peak  3433 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.120 ppm2      1.448 CV     1
 OR { 3433}
   (( segid "    " and resid 83   and name HB  ))
   (( segid "    " and resid 85   and name HG1 ))
 ASSI { 3434}
   (( segid "    " and resid 83   and name HB  ))
   (  segid "    " and resid 83   and name HG2%)
      6.000     4.500     0.000 peak  3434 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.116 ppm2      0.987 CV     1
 OR { 3434}
   (( segid "    " and resid 83   and name HB  ))
   (  segid "    " and resid 83   and name HG1%)
 ASSI { 3440}
   (( segid "    " and resid 41   and name HB1 ))
   (( segid "    " and resid 41   and name HD2 ))
      6.000     4.500     0.000 peak  3440 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.725 ppm2      3.190 CV     1
 OR { 3440}
   (( segid "    " and resid 41   and name HB2 ))
   (( segid "    " and resid 41   and name HD2 ))
 ASSI { 3446}
   (( segid "    " and resid 51   and name HB1 ))
   (( segid "    " and resid 51   and name HD2 ))
      6.000     4.500     0.000 peak  3446 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.163 ppm2      3.866 CV     1
 ASSI { 3448}
   (( segid "    " and resid 51   and name HB1 ))
   (( segid "    " and resid 51   and name HB2 ))
      6.000     4.500     0.000 peak  3448 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.154 ppm2      2.451 CV     1
 ASSI { 3449}
   (( segid "    " and resid 51   and name HB1 ))
   (( segid "    " and resid 51   and name HG1 ))
      6.000     4.500     0.000 peak  3449 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.152 ppm2      1.873 CV     1
 ASSI { 3451}
   (( segid "    " and resid 83   and name HB  ))
   (( segid "    " and resid 11   and name HG  ))
      6.000     4.500     0.000 peak  3451 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.133 ppm2      0.833 CV     1
 ASSI { 3453}
   (( segid "    " and resid 105  and name HB  ))
   (( segid "    " and resid 104  and name HA  ))
      6.000     4.500     0.000 peak  3453 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.022 ppm2      4.268 CV     1
 ASSI { 3458}
   (( segid "    " and resid 142  and name HG2 ))
   (( segid "    " and resid 142  and name HG1 ))
      6.000     4.500     0.000 peak  3458 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.818 ppm2      2.672 CV     1
 ASSI { 3460}
   (( segid "    " and resid 142  and name HG2 ))
   (( segid "    " and resid 142  and name HB1 ))
      6.000     4.500     0.000 peak  3460 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.817 ppm2      2.101 CV     1
 ASSI { 3466}
   (( segid "    " and resid 51   and name HB2 ))
   (( segid "    " and resid 51   and name HD1 ))
      6.000     4.500     0.000 peak  3466 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.444 ppm2      3.426 CV     1
 ASSI { 3467}
   (( segid "    " and resid 51   and name HB2 ))
   (( segid "    " and resid 51   and name HB1 ))
      6.000     4.500     0.000 peak  3467 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.445 ppm2      2.132 CV     1
 OR { 3467}
   (( segid "    " and resid 51   and name HB2 ))
   (( segid "    " and resid 51   and name HG2 ))
 ASSI { 3469}
   (( segid "    " and resid 29   and name HB2 ))
   (( segid "    " and resid 30   and name HA  ))
      6.000     4.500     0.000 peak  3469 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.399 ppm2      3.918 CV     1
 ASSI { 3470}
   (( segid "    " and resid 29   and name HB2 ))
   (( segid "    " and resid 29   and name HD2 ))
      6.000     4.500     0.000 peak  3470 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.397 ppm2      3.673 CV     1
 ASSI { 3471}
   (( segid "    " and resid 29   and name HB2 ))
   (( segid "    " and resid 29   and name HD1 ))
      6.000     4.500     0.000 peak  3471 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.396 ppm2      2.758 CV     1
 ASSI { 3473}
   (( segid "    " and resid 29   and name HB2 ))
   (( segid "    " and resid 29   and name HB1 ))
      6.000     4.500     0.000 peak  3473 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.397 ppm2      1.904 CV     1
 ASSI { 3474}
   (( segid "    " and resid 29   and name HB2 ))
   (( segid "    " and resid 64   and name HG  ))
      6.000     4.500     0.000 peak  3474 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.400 ppm2      0.770 CV     1
 ASSI { 3475}
   (( segid "    " and resid 29   and name HB2 ))
   (  segid "    " and resid 28   and name HG2%)
      6.000     4.500     0.000 peak  3475 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.401 ppm2      0.638 CV     1
 ASSI { 3477}
   (( segid "    " and resid 50   and name HG2 ))
   (( segid "    " and resid 48   and name HG2 ))
      6.000     4.500     0.000 peak  3477 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.389 ppm2      2.538 CV     1
 OR { 3477}
   (( segid "    " and resid 50   and name HG1 ))
   (( segid "    " and resid 48   and name HG2 ))
 ASSI { 3478}
   (( segid "    " and resid 50   and name HG1 ))
   (( segid "    " and resid 50   and name HB2 ))
      6.000     4.500     0.000 peak  3478 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.388 ppm2      2.040 CV     1
 OR { 3478}
   (( segid "    " and resid 50   and name HG1 ))
   (( segid "    " and resid 50   and name HB1 ))
 OR { 3478}
   (( segid "    " and resid 50   and name HG2 ))
   (( segid "    " and resid 50   and name HB2 ))
 OR { 3478}
   (( segid "    " and resid 50   and name HG2 ))
   (( segid "    " and resid 50   and name HB1 ))
 ASSI { 3480}
   (( segid "    " and resid 105  and name HB  ))
   (( segid "    " and resid 104  and name HB2 ))
      6.000     4.500     0.000 peak  3480 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.049 ppm2      2.381 CV     1
 ASSI { 3481}
   (( segid "    " and resid 157  and name HB2 ))
   (( segid "    " and resid 157  and name HG1 ))
      6.000     4.500     0.000 peak  3481 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.997 ppm2      1.298 CV     1
 ASSI { 3484}
   (( segid "    " and resid 29   and name HB1 ))
   (( segid "    " and resid 29   and name HD2 ))
      6.000     4.500     0.000 peak  3484 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.902 ppm2      3.672 CV     1
 ASSI { 3485}
   (( segid "    " and resid 29   and name HB1 ))
   (( segid "    " and resid 29   and name HD1 ))
      6.000     4.500     0.000 peak  3485 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.901 ppm2      2.759 CV     1
 ASSI { 3487}
   (( segid "    " and resid 29   and name HB1 ))
   (( segid "    " and resid 64   and name HG  ))
      6.000     4.500     0.000 peak  3487 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.903 ppm2      0.757 CV     1
 ASSI { 3488}
   (( segid "    " and resid 157  and name HB1 ))
   (( segid "    " and resid 157  and name HG1 ))
      6.000     4.500     0.000 peak  3488 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.838 ppm2      1.297 CV     1
 ASSI { 3489}
   (( segid "    " and resid 157  and name HB1 ))
   (( segid "    " and resid 157  and name HG2 ))
      6.000     4.500     0.000 peak  3489 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.833 ppm2      1.647 CV     1
 ASSI { 3490}
   (( segid "    " and resid 110  and name HB1 ))
   (( segid "    " and resid 111  and name HB1 ))
      6.000     4.500     0.000 peak  3490 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.420 ppm2      0.934 CV     1
 ASSI { 3495}
   (( segid "    " and resid 47   and name HB2 ))
   (( segid "    " and resid 90   and name HA1 ))
      6.000     4.500     0.000 peak  3495 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.447 ppm2      3.913 CV     1
 ASSI { 3502}
   (( segid "    " and resid 110  and name HB2 ))
   (( segid "    " and resid 110  and name HA  ))
      6.000     4.500     0.000 peak  3502 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.655 ppm2      4.240 CV     1
 ASSI { 3504}
   (( segid "    " and resid 110  and name HB2 ))
   (( segid "    " and resid 70   and name HG  ))
      6.000     4.500     0.000 peak  3504 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.654 ppm2      1.381 CV     1
 ASSI { 3506}
   (( segid "    " and resid 110  and name HB2 ))
   (( segid "    " and resid 110  and name HD1 ))
      6.000     4.500     0.000 peak  3506 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.642 ppm2      3.251 CV     1
 OR { 3506}
   (( segid "    " and resid 110  and name HB2 ))
   (( segid "    " and resid 110  and name HD2 ))
 ASSI { 3509}
   (( segid "    " and resid 154  and name HB1 ))
   (( segid "    " and resid 154  and name HG2 ))
      6.000     4.500     0.000 peak  3509 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.422 ppm2      1.196 CV     1
 OR { 3509}
   (( segid "    " and resid 154  and name HB2 ))
   (( segid "    " and resid 154  and name HG2 ))
 ASSI { 3511}
   (( segid "    " and resid 154  and name HB2 ))
   (( segid "    " and resid 154  and name HG1 ))
      6.000     4.500     0.000 peak  3511 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.423 ppm2      0.740 CV     1
 OR { 3511}
   (( segid "    " and resid 154  and name HB1 ))
   (( segid "    " and resid 154  and name HG1 ))
 ASSI { 3519}
   (( segid "    " and resid 72   and name HB2 ))
   (( segid "    " and resid 69   and name HA  ))
      6.000     4.500     0.000 peak  3519 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.452 ppm2      4.211 CV     1
 ASSI { 3522}
   (( segid "    " and resid 72   and name HB2 ))
   (  segid "    " and resid 28   and name HG2%)
      6.000     4.500     0.000 peak  3522 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.452 ppm2      0.629 CV     1
 ASSI { 3523}
   (( segid "    " and resid 72   and name HB2 ))
   (( segid "    " and resid 72   and name HB1 ))
      6.000     4.500     0.000 peak  3523 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.449 ppm2      2.950 CV     1
 ASSI { 3528}
   (( segid "    " and resid 72   and name HB1 ))
   (  segid "    " and resid 28   and name HD1%)
      6.000     4.500     0.000 peak  3528 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.949 ppm2      0.795 CV     1
 ASSI { 3529}
   (( segid "    " and resid 72   and name HB1 ))
   (  segid "    " and resid 28   and name HG2%)
      6.000     4.500     0.000 peak  3529 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.953 ppm2      0.609 CV     1
 ASSI { 3533}
   (( segid "    " and resid 138  and name HB1 ))
   (( segid "    " and resid 138  and name HD2 ))
      6.000     4.500     0.000 peak  3533 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.416 ppm2      4.023 CV     1
 OR { 3533}
   (( segid "    " and resid 138  and name HB1 ))
   (( segid "    " and resid 138  and name HD1 ))
 ASSI { 3534}
   (( segid "    " and resid 138  and name HB1 ))
   (  segid "    " and resid 105  and name HG2%)
      6.000     4.500     0.000 peak  3534 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.418 ppm2      1.033 CV     1
 ASSI { 3536}
   (( segid "    " and resid 91   and name HG2 ))
   (( segid "    " and resid 91   and name HD2 ))
      6.000     4.500     0.000 peak  3536 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.087 ppm2      3.679 CV     1
 OR { 3536}
   (( segid "    " and resid 91   and name HG1 ))
   (( segid "    " and resid 91   and name HD2 ))
 ASSI { 3537}
   (( segid "    " and resid 91   and name HG2 ))
   (( segid "    " and resid 51   and name HD1 ))
      6.000     4.500     0.000 peak  3537 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.092 ppm2      3.461 CV     1
 OR { 3537}
   (( segid "    " and resid 91   and name HG1 ))
   (( segid "    " and resid 51   and name HD1 ))
 ASSI { 3538}
   (( segid "    " and resid 91   and name HG1 ))
   (( segid "    " and resid 91   and name HB1 ))
      6.000     4.500     0.000 peak  3538 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.083 ppm2      1.820 CV     1
 OR { 3538}
   (( segid "    " and resid 91   and name HG2 ))
   (( segid "    " and resid 91   and name HB2 ))
 OR { 3538}
   (( segid "    " and resid 91   and name HG2 ))
   (( segid "    " and resid 91   and name HB1 ))
 OR { 3538}
   (( segid "    " and resid 91   and name HG1 ))
   (( segid "    " and resid 91   and name HB2 ))
 ASSI { 3541}
   (( segid "    " and resid 23   and name HB2 ))
   (( segid "    " and resid 23   and name HA  ))
      6.000     4.500     0.000 peak  3541 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.966 ppm2      4.004 CV     1
 OR { 3541}
   (( segid "    " and resid 23   and name HB1 ))
   (( segid "    " and resid 23   and name HA  ))
 ASSI { 3543}
   (( segid "    " and resid 23   and name HB1 ))
   (( segid "    " and resid 23   and name HG2 ))
      6.000     4.500     0.000 peak  3543 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.966 ppm2      1.567 CV     1
 OR { 3543}
   (( segid "    " and resid 23   and name HB2 ))
   (( segid "    " and resid 23   and name HG2 ))
 ASSI { 3546}
   (( segid "    " and resid 138  and name HB2 ))
   (( segid "    " and resid 138  and name HD2 ))
      6.000     4.500     0.000 peak  3546 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.863 ppm2      4.029 CV     1
 OR { 3546}
   (( segid "    " and resid 138  and name HB2 ))
   (( segid "    " and resid 138  and name HD1 ))
 ASSI { 3550}
   (( segid "    " and resid 138  and name HB2 ))
   (  segid "    " and resid 105  and name HG2%)
      6.000     4.500     0.000 peak  3550 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.836 ppm2      1.030 CV     1
 ASSI { 3551}
   (( segid "    " and resid 91   and name HB2 ))
   (( segid "    " and resid 51   and name HD2 ))
      6.000     4.500     0.000 peak  3551 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.833 ppm2      3.857 CV     1
 OR { 3551}
   (( segid "    " and resid 91   and name HB1 ))
   (( segid "    " and resid 51   and name HD2 ))
 ASSI { 3552}
   (( segid "    " and resid 91   and name HB2 ))
   (( segid "    " and resid 91   and name HD1 ))
      6.000     4.500     0.000 peak  3552 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.815 ppm2      3.482 CV     1
 OR { 3552}
   (( segid "    " and resid 91   and name HB1 ))
   (( segid "    " and resid 91   and name HD1 ))
 ASSI { 3557}
   (( segid "    " and resid 119  and name HB2 ))
   (( segid "    " and resid 146  and name HG12))
      6.000     4.500     0.000 peak  3557 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.691 ppm2      1.600 CV     1
 ASSI { 3560}
   (( segid "    " and resid 119  and name HB2 ))
   (( segid "    " and resid 119  and name HB1 ))
      6.000     4.500     0.000 peak  3560 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.662 ppm2      1.496 CV     1
 ASSI { 3567}
   (( segid "    " and resid 119  and name HB1 ))
   (  segid "    " and resid 146  and name HD1%)
      6.000     4.500     0.000 peak  3567 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.507 ppm2      0.514 CV     1
 ASSI { 3571}
   (( segid "    " and resid 115  and name HB2 ))
   (( segid "    " and resid 115  and name HB1 ))
      6.000     4.500     0.000 peak  3571 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.787 ppm2      3.005 CV     1
 ASSI { 3574}
   (( segid "    " and resid 115  and name HB1 ))
   (( segid "    " and resid 118  and name HB1 ))
      6.000     4.500     0.000 peak  3574 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.013 ppm2      1.953 CV     1
 OR { 3574}
   (( segid "    " and resid 115  and name HB1 ))
   (( segid "    " and resid 118  and name HB2 ))
 ASSI { 3576}
   (( segid "    " and resid 72   and name HB1 ))
   (( segid "    " and resid 69   and name HA  ))
      6.000     4.500     0.000 peak  3576 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.960 ppm2      4.198 CV     1
 ASSI { 3585}
   (( segid "    " and resid 2    and name HB  ))
   (( segid "    " and resid 1    and name HG21))
      6.000     4.500     0.000 peak  3585 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.763 ppm2      0.560 CV     1
 ASSI { 3588}
   (( segid "    " and resid 32   and name HB2 ))
   (( segid "    " and resid 32   and name HB1 ))
      6.000     4.500     0.000 peak  3588 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.337 ppm2      3.130 CV     1
 ASSI { 3593}
   (( segid "    " and resid 32   and name HB1 ))
   (( segid "    " and resid 61   and name HB1 ))
      6.000     4.500     0.000 peak  3593 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.139 ppm2      1.313 CV     1
 ASSI { 3597}
   (( segid "    " and resid 32   and name HB1 ))
   (( segid "    " and resid 61   and name HB2 ))
      6.000     4.500     0.000 peak  3597 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.129 ppm2      1.780 CV     1
 ASSI { 3598}
   (( segid "    " and resid 32   and name HB1 ))
   (  segid "    " and resid 34   and name HD2%)
      6.000     4.500     0.000 peak  3598 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.134 ppm2      0.825 CV     1
 ASSI { 3601}
   (( segid "    " and resid 17   and name HG1 ))
   (  segid "    " and resid 12   and name HB% )
      6.000     4.500     0.000 peak  3601 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.644 ppm2      1.237 CV     1
 OR { 3601}
   (( segid "    " and resid 17   and name HG2 ))
   (  segid "    " and resid 12   and name HB% )
 ASSI { 3602}
   (( segid "    " and resid 17   and name HG1 ))
   (  segid "    " and resid 94   and name HD1%)
      6.000     4.500     0.000 peak  3602 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.647 ppm2      0.855 CV     1
 OR { 3602}
   (( segid "    " and resid 17   and name HG2 ))
   (  segid "    " and resid 94   and name HD1%)
 OR { 3602}
   (( segid "    " and resid 17   and name HG1 ))
   (  segid "    " and resid 94   and name HD2%)
 OR { 3602}
   (( segid "    " and resid 17   and name HG2 ))
   (  segid "    " and resid 94   and name HD2%)
 ASSI { 3603}
   (( segid "    " and resid 17   and name HG1 ))
   (( segid "    " and resid 17   and name HB2 ))
      6.000     4.500     0.000 peak  3603 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.641 ppm2      2.168 CV     1
 OR { 3603}
   (( segid "    " and resid 17   and name HG1 ))
   (( segid "    " and resid 17   and name HB1 ))
 OR { 3603}
   (( segid "    " and resid 17   and name HG2 ))
   (( segid "    " and resid 17   and name HB2 ))
 OR { 3603}
   (( segid "    " and resid 17   and name HG2 ))
   (( segid "    " and resid 17   and name HB1 ))
 ASSI { 3605}
   (( segid "    " and resid 17   and name HG2 ))
   (( segid "    " and resid 16   and name HG1 ))
      6.000     4.500     0.000 peak  3605 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.622 ppm2      2.329 CV     1
 OR { 3605}
   (( segid "    " and resid 17   and name HG1 ))
   (( segid "    " and resid 16   and name HG1 ))
 ASSI { 3609}
   (( segid "    " and resid 2    and name HB  ))
   (  segid "    " and resid 2    and name HG2%)
      6.000     4.500     0.000 peak  3609 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.765 ppm2      0.777 CV     1
 ASSI { 3610}
   (( segid "    " and resid 2    and name HB  ))
   (  segid "    " and resid 2    and name HG1%)
      6.000     4.500     0.000 peak  3610 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.765 ppm2      0.131 CV     1
 ASSI { 3614}
   (( segid "    " and resid 121  and name HB2 ))
   (( segid "    " and resid 121  and name HB1 ))
      6.000     4.500     0.000 peak  3614 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.871 ppm2     -0.659 CV     1
 ASSI { 3620}
   (( segid "    " and resid 121  and name HB1 ))
   (( segid "    " and resid 121  and name HG2 ))
      6.000     4.500     0.000 peak  3620 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1     -0.647 ppm2      1.339 CV     1
 ASSI { 3624}
   (( segid "    " and resid 104  and name HB2 ))
   (( segid "    " and resid 104  and name HB1 ))
      6.000     4.500     0.000 peak  3624 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.397 ppm2      2.182 CV     1
 ASSI { 3626}
   (( segid "    " and resid 104  and name HB2 ))
   (( segid "    " and resid 104  and name HA  ))
      6.000     4.500     0.000 peak  3626 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.387 ppm2      4.265 CV     1
 ASSI { 3629}
   (( segid "    " and resid 104  and name HB2 ))
   (  segid "    " and resid 106  and name HD1%)
      6.000     4.500     0.000 peak  3629 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.388 ppm2      0.639 CV     1
 ASSI { 3634}
   (( segid "    " and resid 104  and name HB1 ))
   (  segid "    " and resid 106  and name HD1%)
      6.000     4.500     0.000 peak  3634 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.188 ppm2      0.638 CV     1
 ASSI { 3645}
   (( segid "    " and resid 121  and name HB1 ))
   (( segid "    " and resid 121  and name HA  ))
      6.000     4.500     0.000 peak  3645 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1     -0.659 ppm2      4.127 CV     1
 ASSI { 3646}
   (( segid "    " and resid 127  and name HB2 ))
   (  segid "    " and resid 57   and name HB% )
      6.000     4.500     0.000 peak  3646 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.722 ppm2      1.371 CV     1
 ASSI { 3648}
   (( segid "    " and resid 127  and name HB2 ))
   (( segid "    " and resid 127  and name HB1 ))
      6.000     4.500     0.000 peak  3648 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.710 ppm2      1.947 CV     1
 ASSI { 3649}
   (( segid "    " and resid 127  and name HB2 ))
   (( segid "    " and resid 127  and name HG1 ))
      6.000     4.500     0.000 peak  3649 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.709 ppm2      1.564 CV     1
 ASSI { 3650}
   (( segid "    " and resid 144  and name HB2 ))
   (( segid "    " and resid 144  and name HB1 ))
      6.000     4.500     0.000 peak  3650 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.138 ppm2      1.791 CV     1
 ASSI { 3652}
   (( segid "    " and resid 144  and name HB2 ))
   (( segid "    " and resid 144  and name HG2 ))
      6.000     4.500     0.000 peak  3652 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.126 ppm2      1.611 CV     1
 ASSI { 3653}
   (( segid "    " and resid 127  and name HB1 ))
   (( segid "    " and resid 127  and name HG1 ))
      6.000     4.500     0.000 peak  3653 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.954 ppm2      1.587 CV     1
 ASSI { 3655}
   (( segid "    " and resid 127  and name HB1 ))
   (  segid "    " and resid 57   and name HB% )
      6.000     4.500     0.000 peak  3655 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.940 ppm2      1.367 CV     1
 ASSI { 3659}
   (( segid "    " and resid 144  and name HB1 ))
   (( segid "    " and resid 144  and name HD1 ))
      6.000     4.500     0.000 peak  3659 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.803 ppm2      3.271 CV     1
 ASSI { 3661}
   (( segid "    " and resid 141  and name HB1 ))
   (( segid "    " and resid 146  and name HG12))
      6.000     4.500     0.000 peak  3661 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.796 ppm2      1.610 CV     1
 ASSI { 3665}
   (( segid "    " and resid 148  and name HB2 ))
   (( segid "    " and resid 148  and name HA  ))
      6.000     4.500     0.000 peak  3665 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.268 ppm2      4.442 CV     1
 ASSI { 3666}
   (( segid "    " and resid 148  and name HB2 ))
   (( segid "    " and resid 145  and name HA  ))
      6.000     4.500     0.000 peak  3666 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.269 ppm2      4.245 CV     1
 ASSI { 3668}
   (( segid "    " and resid 148  and name HB2 ))
   (( segid "    " and resid 145  and name HG2 ))
      6.000     4.500     0.000 peak  3668 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.271 ppm2      2.491 CV     1
 ASSI { 3670}
   (( segid "    " and resid 148  and name HB2 ))
   (( segid "    " and resid 147  and name HB2 ))
      6.000     4.500     0.000 peak  3670 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.276 ppm2      1.092 CV     1
 ASSI { 3672}
   (( segid "    " and resid 148  and name HB1 ))
   (( segid "    " and resid 144  and name HD2 ))
      6.000     4.500     0.000 peak  3672 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.202 ppm2      3.426 CV     1
 ASSI { 3673}
   (( segid "    " and resid 148  and name HB1 ))
   (( segid "    " and resid 148  and name HA  ))
      6.000     4.500     0.000 peak  3673 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.192 ppm2      4.426 CV     1
 ASSI { 3676}
   (( segid "    " and resid 148  and name HB1 ))
   (( segid "    " and resid 145  and name HA  ))
      6.000     4.500     0.000 peak  3676 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.187 ppm2      4.242 CV     1
 ASSI { 3679}
   (( segid "    " and resid 43   and name HB2 ))
   (( segid "    " and resid 44   and name HD2 ))
      6.000     4.500     0.000 peak  3679 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.452 ppm2      4.116 CV     1
 ASSI { 3681}
   (( segid "    " and resid 43   and name HB2 ))
   (( segid "    " and resid 43   and name HG2 ))
      6.000     4.500     0.000 peak  3681 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.450 ppm2      2.184 CV     1
 OR { 3681}
   (( segid "    " and resid 43   and name HB2 ))
   (( segid "    " and resid 43   and name HG1 ))
 ASSI { 3682}
   (( segid "    " and resid 43   and name HB2 ))
   (( segid "    " and resid 43   and name HB1 ))
      6.000     4.500     0.000 peak  3682 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.447 ppm2      2.016 CV     1
 ASSI { 3686}
   (( segid "    " and resid 50   and name HB2 ))
   (( segid "    " and resid 51   and name HD1 ))
      6.000     4.500     0.000 peak  3686 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.021 ppm2      3.437 CV     1
 OR { 3686}
   (( segid "    " and resid 50   and name HB1 ))
   (( segid "    " and resid 51   and name HD1 ))
 ASSI { 3688}
   (( segid "    " and resid 50   and name HB1 ))
   (( segid "    " and resid 44   and name HG2 ))
      6.000     4.500     0.000 peak  3688 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.019 ppm2      2.190 CV     1
 OR { 3688}
   (( segid "    " and resid 50   and name HB1 ))
   (( segid "    " and resid 44   and name HG1 ))
 OR { 3688}
   (( segid "    " and resid 50   and name HB2 ))
   (( segid "    " and resid 44   and name HG2 ))
 ASSI { 3693}
   (( segid "    " and resid 141  and name HB2 ))
   (( segid "    " and resid 137  and name HB2 ))
      6.000     4.500     0.000 peak  3693 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.864 ppm2      3.403 CV     1
 ASSI { 3695}
   (( segid "    " and resid 141  and name HB2 ))
   (  segid "    " and resid 146  and name HD1%)
      6.000     4.500     0.000 peak  3695 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.869 ppm2      0.480 CV     1
 ASSI { 3699}
   (( segid "    " and resid 141  and name HB1 ))
   (( segid "    " and resid 141  and name HG2 ))
      6.000     4.500     0.000 peak  3699 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.778 ppm2      2.278 CV     1
 ASSI { 3700}
   (( segid "    " and resid 141  and name HB1 ))
   (( segid "    " and resid 141  and name HG1 ))
      6.000     4.500     0.000 peak  3700 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.779 ppm2      2.040 CV     1
 ASSI { 3701}
   (( segid "    " and resid 141  and name HB1 ))
   (  segid "    " and resid 146  and name HD1%)
      6.000     4.500     0.000 peak  3701 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.774 ppm2      0.487 CV     1
 ASSI { 3704}
   (( segid "    " and resid 88   and name HB2 ))
   (( segid "    " and resid 88   and name HA  ))
      6.000     4.500     0.000 peak  3704 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.688 ppm2      4.077 CV     1
 ASSI { 3706}
   (( segid "    " and resid 88   and name HB2 ))
   (( segid "    " and resid 88   and name HD1 ))
      6.000     4.500     0.000 peak  3706 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.681 ppm2      2.723 CV     1
 ASSI { 3707}
   (( segid "    " and resid 88   and name HB2 ))
   (( segid "    " and resid 88   and name HG1 ))
      6.000     4.500     0.000 peak  3707 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.682 ppm2      1.109 CV     1
 OR { 3707}
   (( segid "    " and resid 88   and name HB2 ))
   (( segid "    " and resid 88   and name HG2 ))
 ASSI { 3708}
   (( segid "    " and resid 88   and name HB2 ))
   (( segid "    " and resid 88   and name HB1 ))
      6.000     4.500     0.000 peak  3708 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.677 ppm2      1.525 CV     1
 ASSI { 3711}
   (( segid "    " and resid 82   and name HB2 ))
   (( segid "    " and resid 77   and name HB2 ))
      6.000     4.500     0.000 peak  3711 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.601 ppm2      2.594 CV     1
 OR { 3711}
   (( segid "    " and resid 82   and name HB1 ))
   (( segid "    " and resid 77   and name HB2 ))
 ASSI { 3712}
   (( segid "    " and resid 82   and name HB2 ))
   (( segid "    " and resid 82   and name HD2 ))
      6.000     4.500     0.000 peak  3712 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.593 ppm2      3.353 CV     1
 OR { 3712}
   (( segid "    " and resid 82   and name HB1 ))
   (( segid "    " and resid 82   and name HD2 ))
 ASSI { 3715}
   (( segid "    " and resid 18   and name HB  ))
   (  segid "    " and resid 22   and name HD2%)
      6.000     4.500     0.000 peak  3715 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.543 ppm2      0.915 CV     1
 ASSI { 3716}
   (( segid "    " and resid 18   and name HB  ))
   (  segid "    " and resid 7    and name HG2%)
      6.000     4.500     0.000 peak  3716 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.541 ppm2      0.800 CV     1
 ASSI { 3717}
   (( segid "    " and resid 18   and name HB  ))
   (  segid "    " and resid 18   and name HG2%)
      6.000     4.500     0.000 peak  3717 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.540 ppm2      0.635 CV     1
 ASSI { 3718}
   (( segid "    " and resid 18   and name HB  ))
   (  segid "    " and resid 18   and name HG1%)
      6.000     4.500     0.000 peak  3718 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.541 ppm2      0.234 CV     1
 ASSI { 3719}
   (( segid "    " and resid 18   and name HB  ))
   (  segid "    " and resid 54   and name HD1%)
      6.000     4.500     0.000 peak  3719 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.537 ppm2     -0.634 CV     1
 OR { 3719}
   (( segid "    " and resid 18   and name HB  ))
   (  segid "    " and resid 54   and name HD2%)
 ASSI { 3720}
   (( segid "    " and resid 88   and name HB1 ))
   (( segid "    " and resid 88   and name HA  ))
      6.000     4.500     0.000 peak  3720 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.529 ppm2      4.078 CV     1
 ASSI { 3724}
   (( segid "    " and resid 88   and name HB1 ))
   (( segid "    " and resid 88   and name HG2 ))
      6.000     4.500     0.000 peak  3724 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.526 ppm2      1.101 CV     1
 OR { 3724}
   (( segid "    " and resid 88   and name HB1 ))
   (( segid "    " and resid 88   and name HG1 ))
 ASSI { 3725}
   (( segid "    " and resid 88   and name HB1 ))
   (( segid "    " and resid 88   and name HD1 ))
      6.000     4.500     0.000 peak  3725 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.517 ppm2      2.725 CV     1
 ASSI { 3727}
   (( segid "    " and resid 66   and name HB2 ))
   (  segid "    " and resid 111  and name HD2%)
      6.000     4.500     0.000 peak  3727 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.293 ppm2      0.350 CV     1
 ASSI { 3730}
   (( segid "    " and resid 66   and name HB2 ))
   (( segid "    " and resid 66   and name HB1 ))
      6.000     4.500     0.000 peak  3730 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.286 ppm2      0.555 CV     1
 ASSI { 3734}
   (( segid "    " and resid 66   and name HB1 ))
   (( segid "    " and resid 66   and name HG2 ))
      6.000     4.500     0.000 peak  3734 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.557 ppm2      1.740 CV     1
 ASSI { 3738}
   (( segid "    " and resid 66   and name HB1 ))
   (  segid "    " and resid 111  and name HD2%)
      6.000     4.500     0.000 peak  3738 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.557 ppm2      0.336 CV     1
 ASSI { 3741}
   (( segid "    " and resid 118  and name HG1 ))
   (( segid "    " and resid 119  and name HA  ))
      6.000     4.500     0.000 peak  3741 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.328 ppm2      3.837 CV     1
 OR { 3741}
   (( segid "    " and resid 118  and name HG2 ))
   (( segid "    " and resid 119  and name HA  ))
 ASSI { 3743}
   (( segid "    " and resid 118  and name HG1 ))
   (( segid "    " and resid 124  and name HB2 ))
      6.000     4.500     0.000 peak  3743 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.329 ppm2      2.177 CV     1
 OR { 3743}
   (( segid "    " and resid 118  and name HG1 ))
   (( segid "    " and resid 124  and name HB1 ))
 OR { 3743}
   (( segid "    " and resid 118  and name HG2 ))
   (( segid "    " and resid 124  and name HB2 ))
 OR { 3743}
   (( segid "    " and resid 118  and name HG2 ))
   (( segid "    " and resid 124  and name HB1 ))
 ASSI { 3744}
   (( segid "    " and resid 118  and name HG2 ))
   (( segid "    " and resid 118  and name HB1 ))
      6.000     4.500     0.000 peak  3744 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.329 ppm2      1.966 CV     1
 OR { 3744}
   (( segid "    " and resid 118  and name HG1 ))
   (( segid "    " and resid 118  and name HB2 ))
 OR { 3744}
   (( segid "    " and resid 118  and name HG2 ))
   (( segid "    " and resid 118  and name HB2 ))
 OR { 3744}
   (( segid "    " and resid 118  and name HG1 ))
   (( segid "    " and resid 118  and name HB1 ))
 ASSI { 3747}
   (( segid "    " and resid 130  and name HB1 ))
   (  segid "    " and resid 131  and name HG2%)
      6.000     4.500     0.000 peak  3747 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.642 ppm2      0.846 CV     1
 ASSI { 3749}
   (( segid "    " and resid 77   and name HB2 ))
   (( segid "    " and resid 78   and name HA  ))
      6.000     4.500     0.000 peak  3749 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.581 ppm2      4.210 CV     1
 ASSI { 3751}
   (( segid "    " and resid 77   and name HB2 ))
   (( segid "    " and resid 77   and name HB1 ))
      6.000     4.500     0.000 peak  3751 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.585 ppm2      1.816 CV     1
 ASSI { 3754}
   (( segid "    " and resid 48   and name HB2 ))
   (( segid "    " and resid 48   and name HB1 ))
      6.000     4.500     0.000 peak  3754 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.298 ppm2      2.040 CV     1
 ASSI { 3755}
   (( segid "    " and resid 68   and name HB1 ))
   (( segid "    " and resid 69   and name HB1 ))
      6.000     4.500     0.000 peak  3755 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.296 ppm2      1.321 CV     1
 OR { 3755}
   (( segid "    " and resid 68   and name HB2 ))
   (( segid "    " and resid 69   and name HB1 ))
 ASSI { 3763}
   (( segid "    " and resid 50   and name HB1 ))
   (( segid "    " and resid 91   and name HD1 ))
      6.000     4.500     0.000 peak  3763 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.024 ppm2      3.486 CV     1
 OR { 3763}
   (( segid "    " and resid 50   and name HB2 ))
   (( segid "    " and resid 91   and name HD1 ))
 ASSI { 3764}
   (( segid "    " and resid 50   and name HB2 ))
   (( segid "    " and resid 51   and name HG1 ))
      6.000     4.500     0.000 peak  3764 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.010 ppm2      1.876 CV     1
 OR { 3764}
   (( segid "    " and resid 50   and name HB1 ))
   (( segid "    " and resid 51   and name HG1 ))
 ASSI { 3769}
   (( segid "    " and resid 84   and name HB1 ))
   (( segid "    " and resid 84   and name HD2 ))
      6.000     4.500     0.000 peak  3769 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.868 ppm2      3.242 CV     1
 OR { 3769}
   (( segid "    " and resid 84   and name HB1 ))
   (( segid "    " and resid 84   and name HD1 ))
 OR { 3769}
   (( segid "    " and resid 84   and name HB2 ))
   (( segid "    " and resid 84   and name HD2 ))
 OR { 3769}
   (( segid "    " and resid 84   and name HB2 ))
   (( segid "    " and resid 84   and name HD1 ))
 ASSI { 3770}
   (( segid "    " and resid 84   and name HB2 ))
   (  segid "    " and resid 83   and name HG1%)
      6.000     4.500     0.000 peak  3770 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.866 ppm2      0.983 CV     1
 OR { 3770}
   (( segid "    " and resid 84   and name HB1 ))
   (  segid "    " and resid 83   and name HG1%)
 ASSI { 3772}
   (( segid "    " and resid 77   and name HB1 ))
   (( segid "    " and resid 77   and name HA  ))
      6.000     4.500     0.000 peak  3772 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.822 ppm2      3.771 CV     1
 ASSI { 3775}
   (( segid "    " and resid 141  and name HB1 ))
   (( segid "    " and resid 146  and name HG11))
      6.000     4.500     0.000 peak  3775 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.801 ppm2      0.987 CV     1
 ASSI { 3777}
   (( segid "    " and resid 61   and name HB2 ))
   (  segid "    " and resid 34   and name HD2%)
      6.000     4.500     0.000 peak  3777 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.761 ppm2      0.825 CV     1
 ASSI { 3780}
   (( segid "    " and resid 92   and name HB2 ))
   (( segid "    " and resid 92   and name HD2 ))
      6.000     4.500     0.000 peak  3780 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.656 ppm2      3.523 CV     1
 ASSI { 3783}
   (( segid "    " and resid 61   and name HB1 ))
   (( segid "    " and resid 61   and name HG1 ))
      6.000     4.500     0.000 peak  3783 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.312 ppm2      1.922 CV     1
 ASSI { 3788}
   (( segid "    " and resid 66   and name HB1 ))
   (( segid "    " and resid 66   and name HG1 ))
      6.000     4.500     0.000 peak  3788 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.556 ppm2      0.790 CV     1
 ASSI { 3791}
   (( segid "    " and resid 158  and name HB2 ))
   (( segid "    " and resid 54   and name HB2 ))
      6.000     4.500     0.000 peak  3791 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.076 ppm2      0.970 CV     1
 ASSI { 3792}
   (( segid "    " and resid 158  and name HB2 ))
   (  segid "    " and resid 54   and name HD1%)
      6.000     4.500     0.000 peak  3792 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.082 ppm2     -0.616 CV     1
 ASSI { 3796}
   (( segid "    " and resid 158  and name HB1 ))
   (( segid "    " and resid 158  and name HA  ))
      6.000     4.500     0.000 peak  3796 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.769 ppm2      3.975 CV     1
 ASSI { 3798}
   (( segid "    " and resid 158  and name HB1 ))
   (( segid "    " and resid 158  and name HB2 ))
      6.000     4.500     0.000 peak  3798 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.767 ppm2      3.071 CV     1
 ASSI { 3800}
   (( segid "    " and resid 158  and name HB1 ))
   (( segid "    " and resid 54   and name HB2 ))
      6.000     4.500     0.000 peak  3800 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.767 ppm2      0.941 CV     1
 ASSI { 3801}
   (( segid "    " and resid 158  and name HB1 ))
   (  segid "    " and resid 54   and name HD1%)
      6.000     4.500     0.000 peak  3801 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.771 ppm2     -0.635 CV     1
 ASSI { 3802}
   (( segid "    " and resid 130  and name HB1 ))
   (( segid "    " and resid 130  and name HA  ))
      6.000     4.500     0.000 peak  3802 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.653 ppm2      3.890 CV     1
 ASSI { 3804}
   (( segid "    " and resid 130  and name HB1 ))
   (( segid "    " and resid 130  and name HB2 ))
      6.000     4.500     0.000 peak  3804 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.641 ppm2      2.286 CV     1
 ASSI { 3806}
   (( segid "    " and resid 68   and name HB1 ))
   (( segid "    " and resid 64   and name HG  ))
      6.000     4.500     0.000 peak  3806 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.292 ppm2      0.749 CV     1
 OR { 3806}
   (( segid "    " and resid 68   and name HB2 ))
   (( segid "    " and resid 64   and name HG  ))
 ASSI { 3807}
   (( segid "    " and resid 48   and name HB2 ))
   (( segid "    " and resid 51   and name HD2 ))
      6.000     4.500     0.000 peak  3807 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.281 ppm2      3.894 CV     1
 ASSI { 3808}
   (( segid "    " and resid 68   and name HB1 ))
   (( segid "    " and resid 68   and name HG2 ))
      6.000     4.500     0.000 peak  3808 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.284 ppm2      2.412 CV     1
 OR { 3808}
   (( segid "    " and resid 68   and name HB2 ))
   (( segid "    " and resid 68   and name HG2 ))
 OR { 3808}
   (( segid "    " and resid 68   and name HB1 ))
   (( segid "    " and resid 68   and name HG1 ))
 OR { 3808}
   (( segid "    " and resid 68   and name HB2 ))
   (( segid "    " and resid 68   and name HG1 ))
 ASSI { 3810}
   (( segid "    " and resid 68   and name HB1 ))
   (( segid "    " and resid 64   and name HB2 ))
      6.000     4.500     0.000 peak  3810 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.284 ppm2      1.745 CV     1
 OR { 3810}
   (( segid "    " and resid 68   and name HB2 ))
   (( segid "    " and resid 64   and name HB2 ))
 ASSI { 3822}
   (( segid "    " and resid 87   and name HB1 ))
   (( segid "    " and resid 92   and name HB2 ))
      6.000     4.500     0.000 peak  3822 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.020 ppm2      1.661 CV     1
 OR { 3822}
   (( segid "    " and resid 87   and name HB2 ))
   (( segid "    " and resid 92   and name HB2 ))
 ASSI { 3824}
   (( segid "    " and resid 87   and name HB2 ))
   (( segid "    " and resid 87   and name HA  ))
      6.000     4.500     0.000 peak  3824 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.011 ppm2      4.193 CV     1
 OR { 3824}
   (( segid "    " and resid 87   and name HB1 ))
   (( segid "    " and resid 87   and name HA  ))
 ASSI { 3825}
   (( segid "    " and resid 158  and name HB1 ))
   (( segid "    " and resid 54   and name HG  ))
      6.000     4.500     0.000 peak  3825 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.776 ppm2      0.253 CV     1
 ASSI { 3827}
   (( segid "    " and resid 150  and name HB2 ))
   (( segid "    " and resid 150  and name HB1 ))
      6.000     4.500     0.000 peak  3827 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.263 ppm2      0.922 CV     1
 ASSI { 3838}
   (( segid "    " and resid 75   and name HB2 ))
   (( segid "    " and resid 72   and name HA  ))
      6.000     4.500     0.000 peak  3838 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.330 ppm2      4.399 CV     1
 ASSI { 3840}
   (( segid "    " and resid 75   and name HB2 ))
   (( segid "    " and resid 75   and name HB1 ))
      6.000     4.500     0.000 peak  3840 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.341 ppm2      1.904 CV     1
 ASSI { 3841}
   (( segid "    " and resid 75   and name HB2 ))
   (( segid "    " and resid 75   and name HG1 ))
      6.000     4.500     0.000 peak  3841 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.339 ppm2      1.580 CV     1
 ASSI { 3846}
   (( segid "    " and resid 28   and name HG11))
   (( segid "    " and resid 25   and name HA  ))
      6.000     4.500     0.000 peak  3846 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.084 ppm2      3.903 CV     1
 OR { 3846}
   (( segid "    " and resid 28   and name HG12))
   (( segid "    " and resid 25   and name HA  ))
 ASSI { 3847}
   (( segid "    " and resid 28   and name HG12))
   (( segid "    " and resid 28   and name HA  ))
      6.000     4.500     0.000 peak  3847 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.087 ppm2      3.784 CV     1
 OR { 3847}
   (( segid "    " and resid 28   and name HG11))
   (( segid "    " and resid 28   and name HA  ))
 ASSI { 3848}
   (( segid "    " and resid 28   and name HG12))
   (( segid "    " and resid 72   and name HB1 ))
      6.000     4.500     0.000 peak  3848 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.088 ppm2      2.939 CV     1
 OR { 3848}
   (( segid "    " and resid 28   and name HG11))
   (( segid "    " and resid 72   and name HB1 ))
 ASSI { 3851}
   (( segid "    " and resid 28   and name HG12))
   (  segid "    " and resid 28   and name HG2%)
      6.000     4.500     0.000 peak  3851 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.091 ppm2      0.624 CV     1
 OR { 3851}
   (( segid "    " and resid 28   and name HG11))
   (  segid "    " and resid 28   and name HG2%)
 ASSI { 3855}
   (( segid "    " and resid 75   and name HB1 ))
   (( segid "    " and resid 75   and name HD2 ))
      6.000     4.500     0.000 peak  3855 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.901 ppm2      3.352 CV     1
 ASSI { 3857}
   (( segid "    " and resid 75   and name HB1 ))
   (( segid "    " and resid 75   and name HG1 ))
      6.000     4.500     0.000 peak  3857 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.906 ppm2      1.585 CV     1
 ASSI { 3859}
   (( segid "    " and resid 23   and name HD2 ))
   (( segid "    " and resid 23   and name HD1 ))
      6.000     4.500     0.000 peak  3859 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.705 ppm2      1.444 CV     1
 OR { 3859}
   (( segid "    " and resid 23   and name HD2 ))
   (( segid "    " and resid 23   and name HG1 ))
 ASSI { 3864}
   (( segid "    " and resid 23   and name HD2 ))
   (( segid "    " and resid 23   and name HB2 ))
      6.000     4.500     0.000 peak  3864 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.703 ppm2      1.970 CV     1
 OR { 3864}
   (( segid "    " and resid 23   and name HD2 ))
   (( segid "    " and resid 23   and name HB1 ))
 ASSI { 3865}
   (( segid "    " and resid 23   and name HD2 ))
   (( segid "    " and resid 23   and name HG2 ))
      6.000     4.500     0.000 peak  3865 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.702 ppm2      1.548 CV     1
 ASSI { 3886}
   (( segid "    " and resid 145  and name HB2 ))
   (( segid "    " and resid 145  and name HA  ))
      6.000     4.500     0.000 peak  3886 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.327 ppm2      4.246 CV     1
 OR { 3886}
   (( segid "    " and resid 145  and name HB1 ))
   (( segid "    " and resid 145  and name HA  ))
 ASSI { 3887}
   (( segid "    " and resid 145  and name HB2 ))
   (( segid "    " and resid 145  and name HG1 ))
      6.000     4.500     0.000 peak  3887 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.328 ppm2      2.487 CV     1
 OR { 3887}
   (( segid "    " and resid 145  and name HB1 ))
   (( segid "    " and resid 145  and name HG1 ))
 OR { 3887}
   (( segid "    " and resid 145  and name HB2 ))
   (( segid "    " and resid 145  and name HG2 ))
 ASSI { 3895}
   (( segid "    " and resid 33   and name HG12))
   (( segid "    " and resid 34   and name HA  ))
      6.000     4.500     0.000 peak  3895 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.617 ppm2      4.510 CV     1
 OR { 3895}
   (( segid "    " and resid 33   and name HG11))
   (( segid "    " and resid 34   and name HA  ))
 ASSI { 3898}
   (( segid "    " and resid 33   and name HG11))
   (( segid "    " and resid 60   and name HG  ))
      6.000     4.500     0.000 peak  3898 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.613 ppm2      1.309 CV     1
 OR { 3898}
   (( segid "    " and resid 33   and name HG12))
   (( segid "    " and resid 60   and name HG  ))
 ASSI { 3900}
   (( segid "    " and resid 33   and name HG12))
   (( segid "    " and resid 61   and name HB2 ))
      6.000     4.500     0.000 peak  3900 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.610 ppm2      1.758 CV     1
 OR { 3900}
   (( segid "    " and resid 33   and name HG11))
   (( segid "    " and resid 61   and name HB2 ))
 ASSI { 3901}
   (( segid "    " and resid 33   and name HG11))
   (( segid "    " and resid 22   and name HB1 ))
      6.000     4.500     0.000 peak  3901 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.611 ppm2      1.462 CV     1
 OR { 3901}
   (( segid "    " and resid 33   and name HG12))
   (( segid "    " and resid 22   and name HB1 ))
 ASSI { 3902}
   (( segid "    " and resid 23   and name HD1 ))
   (( segid "    " and resid 23   and name HD2 ))
      6.000     4.500     0.000 peak  3902 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.456 ppm2      1.696 CV     1
 ASSI { 3929}
   (( segid "    " and resid 145  and name HB1 ))
   (( segid "    " and resid 146  and name HG11))
      6.000     4.500     0.000 peak  3929 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.319 ppm2      1.012 CV     1
 OR { 3929}
   (( segid "    " and resid 145  and name HB2 ))
   (( segid "    " and resid 146  and name HG11))
 ASSI { 3931}
   (( segid "    " and resid 67   and name HB2 ))
   (  segid "    " and resid 65   and name HB% )
      6.000     4.500     0.000 peak  3931 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.862 ppm2      1.489 CV     1
 OR { 3931}
   (( segid "    " and resid 67   and name HB1 ))
   (  segid "    " and resid 65   and name HB% )
 ASSI { 3932}
   (( segid "    " and resid 67   and name HB2 ))
   (( segid "    " and resid 66   and name HB2 ))
      6.000     4.500     0.000 peak  3932 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.864 ppm2      1.293 CV     1
 OR { 3932}
   (( segid "    " and resid 67   and name HB1 ))
   (( segid "    " and resid 66   and name HB2 ))
 ASSI { 3933}
   (( segid "    " and resid 67   and name HB1 ))
   (  segid "    " and resid 111  and name HD2%)
      6.000     4.500     0.000 peak  3933 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.861 ppm2      0.348 CV     1
 OR { 3933}
   (( segid "    " and resid 67   and name HB2 ))
   (  segid "    " and resid 111  and name HD2%)
 ASSI { 3939}
   (( segid "    " and resid 134  and name HB2 ))
   (( segid "    " and resid 134  and name HB1 ))
      6.000     4.500     0.000 peak  3939 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.318 ppm2      1.762 CV     1
 ASSI { 3940}
   (( segid "    " and resid 134  and name HB2 ))
   (( segid "    " and resid 134  and name HA  ))
      6.000     4.500     0.000 peak  3940 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.313 ppm2      4.537 CV     1
 ASSI { 3942}
   (( segid "    " and resid 44   and name HG2 ))
   (( segid "    " and resid 44   and name HD2 ))
      6.000     4.500     0.000 peak  3942 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.193 ppm2      4.124 CV     1
 OR { 3942}
   (( segid "    " and resid 44   and name HG1 ))
   (( segid "    " and resid 44   and name HD2 ))
 ASSI { 3949}
   (( segid "    " and resid 98   and name HG12))
   (( segid "    " and resid 98   and name HG11))
      6.000     4.500     0.000 peak  3949 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.879 ppm2      0.987 CV     1
 ASSI { 3950}
   (( segid "    " and resid 98   and name HG12))
   (  segid "    " and resid 98   and name HG2%)
      6.000     4.500     0.000 peak  3950 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.880 ppm2      0.825 CV     1
 ASSI { 3951}
   (( segid "    " and resid 98   and name HG12))
   (( segid "    " and resid 98   and name HB  ))
      6.000     4.500     0.000 peak  3951 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.870 ppm2      2.139 CV     1
 ASSI { 3954}
   (( segid "    " and resid 134  and name HB1 ))
   (( segid "    " and resid 134  and name HB2 ))
      6.000     4.500     0.000 peak  3954 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.753 ppm2      2.314 CV     1
 OR { 3954}
   (( segid "    " and resid 134  and name HB1 ))
   (( segid "    " and resid 134  and name HG2 ))
 ASSI { 3957}
   (( segid "    " and resid 146  and name HG12))
   (  segid "    " and resid 146  and name HD1%)
      6.000     4.500     0.000 peak  3957 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.596 ppm2      0.487 CV     1
 ASSI { 3958}
   (( segid "    " and resid 5    and name HG12))
   (  segid "    " and resid 5    and name HG2%)
      6.000     4.500     0.000 peak  3958 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.583 ppm2      0.850 CV     1
 OR { 3958}
   (( segid "    " and resid 5    and name HG11))
   (  segid "    " and resid 5    and name HG2%)
 ASSI { 3965}
   (( segid "    " and resid 98   and name HG11))
   (( segid "    " and resid 98   and name HB  ))
      6.000     4.500     0.000 peak  3965 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.994 ppm2      2.104 CV     1
 ASSI { 3968}
   (( segid "    " and resid 146  and name HG11))
   (( segid "    " and resid 146  and name HG12))
      6.000     4.500     0.000 peak  3968 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.982 ppm2      1.597 CV     1
 ASSI { 3969}
   (( segid "    " and resid 98   and name HG11))
   (  segid "    " and resid 98   and name HG2%)
      6.000     4.500     0.000 peak  3969 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.984 ppm2      0.819 CV     1
 ASSI { 3970}
   (( segid "    " and resid 146  and name HG11))
   (  segid "    " and resid 146  and name HG2%)
      6.000     4.500     0.000 peak  3970 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.981 ppm2      0.756 CV     1
 ASSI { 3971}
   (( segid "    " and resid 146  and name HG11))
   (  segid "    " and resid 146  and name HD1%)
      6.000     4.500     0.000 peak  3971 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.983 ppm2      0.482 CV     1
 ASSI { 3979}
   (( segid "    " and resid 79   and name HB2 ))
   (( segid "    " and resid 79   and name HB1 ))
      6.000     4.500     0.000 peak  3979 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.356 ppm2      2.304 CV     1
 ASSI { 3980}
   (( segid "    " and resid 79   and name HB1 ))
   (( segid "    " and resid 79   and name HG1 ))
      6.000     4.500     0.000 peak  3980 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.278 ppm2      2.580 CV     1
 ASSI { 3984}
   (( segid "    " and resid 127  and name HG2 ))
   (  segid "    " and resid 56   and name HB% )
      6.000     4.500     0.000 peak  3984 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.060 ppm2      1.403 CV     1
 ASSI { 3985}
   (( segid "    " and resid 127  and name HG2 ))
   (  segid "    " and resid 155  and name HD1%)
      6.000     4.500     0.000 peak  3985 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.057 ppm2      0.518 CV     1
 ASSI { 3986}
   (( segid "    " and resid 127  and name HG2 ))
   (( segid "    " and resid 127  and name HD1 ))
      6.000     4.500     0.000 peak  3986 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.054 ppm2      3.389 CV     1
 ASSI { 3987}
   (( segid "    " and resid 127  and name HG2 ))
   (( segid "    " and resid 126  and name HB2 ))
      6.000     4.500     0.000 peak  3987 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.049 ppm2      3.103 CV     1
 ASSI { 3988}
   (( segid "    " and resid 127  and name HG2 ))
   (( segid "    " and resid 127  and name HG1 ))
      6.000     4.500     0.000 peak  3988 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.055 ppm2      1.570 CV     1
 ASSI { 4014}
   (( segid "    " and resid 79   and name HB2 ))
   (( segid "    " and resid 76   and name HA  ))
      6.000     4.500     0.000 peak  4014 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.369 ppm2      3.593 CV     1
 ASSI { 4015}
   (( segid "    " and resid 79   and name HB2 ))
   (  segid "    " and resid 76   and name HG2%)
      6.000     4.500     0.000 peak  4015 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.369 ppm2      0.833 CV     1
 ASSI { 4016}
   (( segid "    " and resid 79   and name HB2 ))
   (( segid "    " and resid 79   and name HA  ))
      6.000     4.500     0.000 peak  4016 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.366 ppm2      4.187 CV     1
 ASSI { 4017}
   (( segid "    " and resid 79   and name HB2 ))
   (( segid "    " and resid 79   and name HG1 ))
      6.000     4.500     0.000 peak  4017 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.367 ppm2      2.574 CV     1
 ASSI { 4018}
   (( segid "    " and resid 79   and name HB1 ))
   (( segid "    " and resid 76   and name HA  ))
      6.000     4.500     0.000 peak  4018 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.278 ppm2      3.600 CV     1
 ASSI { 4028}
   (( segid "    " and resid 14   and name HG2 ))
   (( segid "    " and resid 54   and name HB2 ))
      6.000     4.500     0.000 peak  4028 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.163 ppm2      0.954 CV     1
 ASSI { 4035}
   (( segid "    " and resid 127  and name HG2 ))
   (( segid "    " and resid 123  and name HA  ))
      6.000     4.500     0.000 peak  4035 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.057 ppm2      4.339 CV     1
 ASSI { 4038}
   (( segid "    " and resid 127  and name HG2 ))
   (( segid "    " and resid 123  and name HB1 ))
      6.000     4.500     0.000 peak  4038 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.054 ppm2      2.743 CV     1
 ASSI { 4046}
   (( segid "    " and resid 29   and name HG1 ))
   (( segid "    " and resid 29   and name HD2 ))
      6.000     4.500     0.000 peak  4046 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.989 ppm2      3.668 CV     1
 ASSI { 4048}
   (( segid "    " and resid 74   and name HB1 ))
   (( segid "    " and resid 77   and name HB2 ))
      6.000     4.500     0.000 peak  4048 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.932 ppm2      2.584 CV     1
 ASSI { 4058}
   (( segid "    " and resid 84   and name HG2 ))
   (( segid "    " and resid 82   and name HG2 ))
      6.000     4.500     0.000 peak  4058 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.672 ppm2      1.801 CV     1
 OR { 4058}
   (( segid "    " and resid 84   and name HG1 ))
   (( segid "    " and resid 82   and name HG2 ))
 ASSI { 4059}
   (( segid "    " and resid 144  and name HG2 ))
   (( segid "    " and resid 144  and name HD1 ))
      6.000     4.500     0.000 peak  4059 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.654 ppm2      3.243 CV     1
 ASSI { 4060}
   (( segid "    " and resid 144  and name HG2 ))
   (( segid "    " and resid 144  and name HA  ))
      6.000     4.500     0.000 peak  4060 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.632 ppm2      3.524 CV     1
 ASSI { 4063}
   (( segid "    " and resid 41   and name HG2 ))
   (( segid "    " and resid 41   and name HG1 ))
      6.000     4.500     0.000 peak  4063 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.606 ppm2      1.321 CV     1
 ASSI { 4064}
   (( segid "    " and resid 144  and name HG1 ))
   (( segid "    " and resid 144  and name HA  ))
      6.000     4.500     0.000 peak  4064 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.579 ppm2      3.525 CV     1
 ASSI { 4072}
   (( segid "    " and resid 14   and name HG1 ))
   (( segid "    " and resid 14   and name HD1 ))
      6.000     4.500     0.000 peak  4072 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.459 ppm2      3.603 CV     1
 ASSI { 4073}
   (( segid "    " and resid 14   and name HG1 ))
   (( segid "    " and resid 14   and name HG2 ))
      6.000     4.500     0.000 peak  4073 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.455 ppm2      2.175 CV     1
 ASSI { 4080}
   (  segid "    " and resid 60   and name HD1%)
   (( segid "    " and resid 62   and name HB  ))
      6.000     4.500     0.000 peak  4080 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.744 ppm2      3.843 CV     1
 ASSI { 4081}
   (  segid "    " and resid 60   and name HD1%)
   (( segid "    " and resid 31   and name HB1 ))
      6.000     4.500     0.000 peak  4081 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.743 ppm2      3.595 CV     1
 OR { 4081}
   (  segid "    " and resid 60   and name HD1%)
   (( segid "    " and resid 31   and name HB2 ))
 ASSI { 4100}
   (( segid "    " and resid 126  and name HB2 ))
   (( segid "    " and resid 127  and name HD1 ))
      6.000     4.500     0.000 peak  4100 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.121 ppm2      3.394 CV     1
 ASSI { 4102}
   (( segid "    " and resid 126  and name HB2 ))
   (( segid "    " and resid 126  and name HB1 ))
      6.000     4.500     0.000 peak  4102 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.117 ppm2      2.962 CV     1
 ASSI { 4106}
   (( segid "    " and resid 126  and name HB1 ))
   (( segid "    " and resid 155  and name HB2 ))
      6.000     4.500     0.000 peak  4106 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.971 ppm2      1.433 CV     1
 OR { 4106}
   (( segid "    " and resid 126  and name HB1 ))
   (( segid "    " and resid 155  and name HB1 ))
 ASSI { 4110}
   (( segid "    " and resid 80   and name HB2 ))
   (  segid "    " and resid 76   and name HG2%)
      6.000     4.500     0.000 peak  4110 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.880 ppm2      0.833 CV     1
 ASSI { 4114}
   (( segid "    " and resid 80   and name HB2 ))
   (( segid "    " and resid 80   and name HB1 ))
      6.000     4.500     0.000 peak  4114 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.873 ppm2      1.786 CV     1
 ASSI { 4118}
   (( segid "    " and resid 14   and name HG2 ))
   (( segid "    " and resid 14   and name HA  ))
      6.000     4.500     0.000 peak  4118 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.182 ppm2      4.328 CV     1
 ASSI { 4120}
   (( segid "    " and resid 14   and name HG2 ))
   (  segid "    " and resid 54   and name HD1%)
      6.000     4.500     0.000 peak  4120 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.178 ppm2     -0.635 CV     1
 OR { 4120}
   (( segid "    " and resid 14   and name HG2 ))
   (  segid "    " and resid 54   and name HD2%)
 ASSI { 4125}
   (( segid "    " and resid 74   and name HB1 ))
   (( segid "    " and resid 74   and name HB2 ))
      6.000     4.500     0.000 peak  4125 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.922 ppm2      2.249 CV     1
 ASSI { 4126}
   (( segid "    " and resid 22   and name HG  ))
   (  segid "    " and resid 18   and name HG1%)
      6.000     4.500     0.000 peak  4126 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.916 ppm2      0.244 CV     1
 ASSI { 4131}
   (( segid "    " and resid 80   and name HB1 ))
   (( segid "    " and resid 77   and name HA  ))
      6.000     4.500     0.000 peak  4131 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.798 ppm2      3.742 CV     1
 ASSI { 4132}
   (( segid "    " and resid 133  and name HG1 ))
   (( segid "    " and resid 133  and name HD1 ))
      6.000     4.500     0.000 peak  4132 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.800 ppm2      3.432 CV     1
 OR { 4132}
   (( segid "    " and resid 133  and name HG2 ))
   (( segid "    " and resid 133  and name HD1 ))
 ASSI { 4137}
   (( segid "    " and resid 80   and name HB1 ))
   (  segid "    " and resid 76   and name HG2%)
      6.000     4.500     0.000 peak  4137 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.797 ppm2      0.832 CV     1
 ASSI { 4140}
   (( segid "    " and resid 133  and name HG1 ))
   (( segid "    " and resid 133  and name HB1 ))
      6.000     4.500     0.000 peak  4140 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.793 ppm2      1.490 CV     1
 OR { 4140}
   (( segid "    " and resid 133  and name HG2 ))
   (( segid "    " and resid 133  and name HB1 ))
 ASSI { 4141}
   (( segid "    " and resid 150  and name HG2 ))
   (( segid "    " and resid 150  and name HD1 ))
      6.000     4.500     0.000 peak  4141 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.514 ppm2      2.964 CV     1
 ASSI { 4161}
   (  segid "    " and resid 60   and name HD1%)
   (( segid "    " and resid 60   and name HB2 ))
      6.000     4.500     0.000 peak  4161 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.742 ppm2      1.847 CV     1
 ASSI { 4162}
   (  segid "    " and resid 60   and name HD1%)
   (( segid "    " and resid 60   and name HG  ))
      6.000     4.500     0.000 peak  4162 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.744 ppm2      1.292 CV     1
 ASSI { 4163}
   (  segid "    " and resid 60   and name HD1%)
   (  segid "    " and resid 69   and name HD1%)
      6.000     4.500     0.000 peak  4163 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.742 ppm2      1.006 CV     1
 ASSI { 4169}
   (( segid "    " and resid 119  and name HG1 ))
   (( segid "    " and resid 119  and name HA  ))
      6.000     4.500     0.000 peak  4169 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.539 ppm2      3.808 CV     1
 ASSI { 4171}
   (( segid "    " and resid 119  and name HG1 ))
   (( segid "    " and resid 119  and name HG2 ))
      6.000     4.500     0.000 peak  4171 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.534 ppm2      1.292 CV     1
 ASSI { 4172}
   (( segid "    " and resid 126  and name HB2 ))
   (( segid "    " and resid 155  and name HB2 ))
      6.000     4.500     0.000 peak  4172 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.116 ppm2      1.446 CV     1
 OR { 4172}
   (( segid "    " and resid 126  and name HB2 ))
   (( segid "    " and resid 155  and name HB1 ))
 ASSI { 4173}
   (( segid "    " and resid 30   and name HB2 ))
   (( segid "    " and resid 64   and name HB1 ))
      6.000     4.500     0.000 peak  4173 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.424 ppm2      1.506 CV     1
 ASSI { 4177}
   (( segid "    " and resid 30   and name HB2 ))
   (( segid "    " and resid 30   and name HB1 ))
      6.000     4.500     0.000 peak  4177 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.415 ppm2      2.011 CV     1
 ASSI { 4178}
   (( segid "    " and resid 30   and name HB2 ))
   (( segid "    " and resid 64   and name HG  ))
      6.000     4.500     0.000 peak  4178 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.416 ppm2      0.762 CV     1
 ASSI { 4181}
   (( segid "    " and resid 17   and name HB2 ))
   (  segid "    " and resid 18   and name HG2%)
      6.000     4.500     0.000 peak  4181 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.154 ppm2      0.652 CV     1
 OR { 4181}
   (( segid "    " and resid 17   and name HB1 ))
   (  segid "    " and resid 18   and name HG2%)
 ASSI { 4184}
   (( segid "    " and resid 29   and name HG2 ))
   (( segid "    " and resid 72   and name HB2 ))
      6.000     4.500     0.000 peak  4184 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.065 ppm2      3.484 CV     1
 ASSI { 4186}
   (( segid "    " and resid 22   and name HG  ))
   (  segid "    " and resid 22   and name HD1%)
      6.000     4.500     0.000 peak  4186 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.906 ppm2      1.139 CV     1
 ASSI { 4187}
   (( segid "    " and resid 92   and name HG2 ))
   (( segid "    " and resid 48   and name HA  ))
      6.000     4.500     0.000 peak  4187 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.812 ppm2      4.359 CV     1
 ASSI { 4188}
   (( segid "    " and resid 150  and name HG2 ))
   (( segid "    " and resid 150  and name HA  ))
      6.000     4.500     0.000 peak  4188 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.513 ppm2      4.030 CV     1
 ASSI { 4189}
   (( segid "    " and resid 150  and name HG2 ))
   (( segid "    " and resid 150  and name HD2 ))
      6.000     4.500     0.000 peak  4189 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.514 ppm2      3.115 CV     1
 ASSI { 4196}
   (( segid "    " and resid 150  and name HG1 ))
   (( segid "    " and resid 150  and name HB2 ))
      6.000     4.500     0.000 peak  4196 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.451 ppm2      1.270 CV     1
 ASSI { 4198}
   (( segid "    " and resid 150  and name HG1 ))
   (( segid "    " and resid 150  and name HB1 ))
      6.000     4.500     0.000 peak  4198 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.435 ppm2      0.933 CV     1
 ASSI { 4200}
   (( segid "    " and resid 82   and name HG1 ))
   (( segid "    " and resid 82   and name HG2 ))
      6.000     4.500     0.000 peak  4200 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.420 ppm2      1.788 CV     1
 ASSI { 4206}
   (( segid "    " and resid 119  and name HG2 ))
   (( segid "    " and resid 124  and name HB2 ))
      6.000     4.500     0.000 peak  4206 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.318 ppm2      2.172 CV     1
 OR { 4206}
   (( segid "    " and resid 119  and name HG2 ))
   (( segid "    " and resid 124  and name HB1 ))
 ASSI { 4208}
   (( segid "    " and resid 119  and name HG2 ))
   (  segid "    " and resid 146  and name HG2%)
      6.000     4.500     0.000 peak  4208 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.301 ppm2      0.736 CV     1
 ASSI { 4213}
   (( segid "    " and resid 106  and name HG11))
   (( segid "    " and resid 104  and name HB2 ))
      6.000     4.500     0.000 peak  4213 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.085 ppm2      2.367 CV     1
 OR { 4213}
   (( segid "    " and resid 106  and name HG12))
   (( segid "    " and resid 104  and name HB2 ))
 ASSI { 4231}
   (( segid "    " and resid 89   and name HB2 ))
   (( segid "    " and resid 47   and name HG2 ))
      6.000     4.500     0.000 peak  4231 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.578 ppm2      2.100 CV     1
 OR { 4231}
   (( segid "    " and resid 89   and name HB1 ))
   (( segid "    " and resid 47   and name HG2 ))
 ASSI { 4236}
   (( segid "    " and resid 75   and name HG2 ))
   (( segid "    " and resid 75   and name HA  ))
      6.000     4.500     0.000 peak  4236 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.708 ppm2      4.147 CV     1
 ASSI { 4238}
   (( segid "    " and resid 75   and name HG2 ))
   (( segid "    " and resid 75   and name HB2 ))
      6.000     4.500     0.000 peak  4238 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.701 ppm2      2.336 CV     1
 ASSI { 4239}
   (( segid "    " and resid 96   and name HG  ))
   (  segid "    " and resid 96   and name HD2%)
      6.000     4.500     0.000 peak  4239 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.630 ppm2      1.137 CV     1
 OR { 4239}
   (( segid "    " and resid 96   and name HG  ))
   (  segid "    " and resid 96   and name HD1%)
 ASSI { 4244}
   (( segid "    " and resid 75   and name HG1 ))
   (( segid "    " and resid 75   and name HD1 ))
      6.000     4.500     0.000 peak  4244 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.585 ppm2      3.171 CV     1
 ASSI { 4251}
   (( segid "    " and resid 15   and name HG  ))
   (( segid "    " and resid 15   and name HB2 ))
      6.000     4.500     0.000 peak  4251 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.521 ppm2      1.703 CV     1
 ASSI { 4252}
   (( segid "    " and resid 15   and name HG  ))
   (( segid "    " and resid 19   and name HB2 ))
      6.000     4.500     0.000 peak  4252 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.503 ppm2      2.860 CV     1
 ASSI { 4253}
   (( segid "    " and resid 15   and name HG  ))
   (( segid "    " and resid 16   and name HG2 ))
      6.000     4.500     0.000 peak  4253 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.502 ppm2      2.406 CV     1
 ASSI { 4254}
   (( segid "    " and resid 15   and name HG  ))
   (  segid "    " and resid 15   and name HD2%)
      6.000     4.500     0.000 peak  4254 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.507 ppm2      1.022 CV     1
 OR { 4254}
   (( segid "    " and resid 15   and name HG  ))
   (  segid "    " and resid 15   and name HD1%)
 ASSI { 4260}
   (( segid "    " and resid 92   and name HG1 ))
   (( segid "    " and resid 48   and name HB1 ))
      6.000     4.500     0.000 peak  4260 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.382 ppm2      2.043 CV     1
 ASSI { 4271}
   (  segid "    " and resid 96   and name HD1%)
   (( segid "    " and resid 7    and name HG11))
      6.000     4.500     0.000 peak  4271 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.148 ppm2      1.605 CV     1
 ASSI { 4272}
   (  segid "    " and resid 96   and name HD1%)
   (( segid "    " and resid 73   and name HA  ))
      6.000     4.500     0.000 peak  4272 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.141 ppm2      4.306 CV     1
 OR { 4272}
   (  segid "    " and resid 96   and name HD2%)
   (( segid "    " and resid 73   and name HA  ))
 ASSI { 4274}
   (  segid "    " and resid 96   and name HD1%)
   (( segid "    " and resid 73   and name HB  ))
      6.000     4.500     0.000 peak  4274 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.143 ppm2      3.958 CV     1
 OR { 4274}
   (  segid "    " and resid 96   and name HD2%)
   (( segid "    " and resid 73   and name HB  ))
 ASSI { 4275}
   (  segid "    " and resid 96   and name HD2%)
   (( segid "    " and resid 96   and name HB1 ))
      6.000     4.500     0.000 peak  4275 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.142 ppm2      0.993 CV     1
 OR { 4275}
   (  segid "    " and resid 96   and name HD1%)
   (( segid "    " and resid 96   and name HB1 ))
 ASSI { 4279}
   (( segid "    " and resid 111  and name HG  ))
   (  segid "    " and resid 111  and name HD1%)
      6.000     4.500     0.000 peak  4279 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.054 ppm2      0.363 CV     1
 ASSI { 4281}
   (  segid "    " and resid 69   and name HD1%)
   (( segid "    " and resid 69   and name HA  ))
      6.000     4.500     0.000 peak  4281 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.023 ppm2      4.193 CV     1
 ASSI { 4289}
   (( segid "    " and resid 147  and name HG  ))
   (( segid "    " and resid 125  and name HG  ))
      6.000     4.500     0.000 peak  4289 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.874 ppm2      0.310 CV     1
 ASSI { 4290}
   (( segid "    " and resid 147  and name HG  ))
   (  segid "    " and resid 147  and name HD1%)
      6.000     4.500     0.000 peak  4290 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.870 ppm2     -0.460 CV     1
 ASSI { 4292}
   (  segid "    " and resid 64   and name HD1%)
   (( segid "    " and resid 69   and name HA  ))
      6.000     4.500     0.000 peak  4292 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.708 ppm2      4.213 CV     1
 ASSI { 4293}
   (  segid "    " and resid 64   and name HD1%)
   (( segid "    " and resid 72   and name HB2 ))
      6.000     4.500     0.000 peak  4293 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.713 ppm2      3.441 CV     1
 OR { 4293}
   (  segid "    " and resid 64   and name HD2%)
   (( segid "    " and resid 72   and name HB2 ))
 ASSI { 4294}
   (  segid "    " and resid 64   and name HD1%)
   (( segid "    " and resid 68   and name HG1 ))
      6.000     4.500     0.000 peak  4294 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.711 ppm2      2.411 CV     1
 OR { 4294}
   (  segid "    " and resid 64   and name HD2%)
   (( segid "    " and resid 68   and name HG2 ))
 OR { 4294}
   (  segid "    " and resid 64   and name HD1%)
   (( segid "    " and resid 68   and name HG2 ))
 OR { 4294}
   (  segid "    " and resid 64   and name HD2%)
   (( segid "    " and resid 68   and name HG1 ))
 ASSI { 4295}
   (  segid "    " and resid 64   and name HD2%)
   (( segid "    " and resid 30   and name HG2 ))
      6.000     4.500     0.000 peak  4295 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.709 ppm2      2.193 CV     1
 OR { 4295}
   (  segid "    " and resid 64   and name HD1%)
   (( segid "    " and resid 30   and name HG2 ))
 ASSI { 4296}
   (  segid "    " and resid 64   and name HD1%)
   (( segid "    " and resid 64   and name HB2 ))
      6.000     4.500     0.000 peak  4296 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.710 ppm2      1.745 CV     1
 OR { 4296}
   (  segid "    " and resid 64   and name HD2%)
   (( segid "    " and resid 64   and name HB2 ))
 ASSI { 4297}
   (  segid "    " and resid 64   and name HD2%)
   (( segid "    " and resid 64   and name HB1 ))
      6.000     4.500     0.000 peak  4297 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.708 ppm2      1.494 CV     1
 OR { 4297}
   (  segid "    " and resid 64   and name HD1%)
   (( segid "    " and resid 64   and name HB1 ))
 ASSI { 4302}
   (  segid "    " and resid 125  and name HD2%)
   (( segid "    " and resid 124  and name HB2 ))
      6.000     4.500     0.000 peak  4302 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.496 ppm2      2.165 CV     1
 OR { 4302}
   (  segid "    " and resid 125  and name HD2%)
   (( segid "    " and resid 124  and name HB1 ))
 OR { 4302}
   (  segid "    " and resid 125  and name HD1%)
   (( segid "    " and resid 124  and name HB2 ))
 OR { 4302}
   (  segid "    " and resid 125  and name HD1%)
   (( segid "    " and resid 124  and name HB1 ))
 ASSI { 4313}
   (( segid "    " and resid 125  and name HG  ))
   (  segid "    " and resid 146  and name HG2%)
      6.000     4.500     0.000 peak  4313 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.326 ppm2      0.749 CV     1
 ASSI { 4314}
   (( segid "    " and resid 125  and name HG  ))
   (  segid "    " and resid 125  and name HD2%)
      6.000     4.500     0.000 peak  4314 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.326 ppm2      0.475 CV     1
 OR { 4314}
   (( segid "    " and resid 125  and name HG  ))
   (  segid "    " and resid 125  and name HD1%)
 ASSI { 4318}
   (( segid "    " and resid 125  and name HG  ))
   (  segid "    " and resid 147  and name HD2%)
      6.000     4.500     0.000 peak  4318 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.325 ppm2     -0.572 CV     1
 ASSI { 4322}
   (( segid "    " and resid 114  and name HG2 ))
   (( segid "    " and resid 138  and name HD2 ))
      6.000     4.500     0.000 peak  4322 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.476 ppm2      4.028 CV     1
 OR { 4322}
   (( segid "    " and resid 114  and name HG2 ))
   (( segid "    " and resid 138  and name HD1 ))
 ASSI { 4326}
   (( segid "    " and resid 114  and name HG2 ))
   (( segid "    " and resid 114  and name HG1 ))
      6.000     4.500     0.000 peak  4326 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.478 ppm2      1.995 CV     1
 ASSI { 4328}
   (( segid "    " and resid 114  and name HG1 ))
   (( segid "    " and resid 114  and name HD1 ))
      6.000     4.500     0.000 peak  4328 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.998 ppm2      4.176 CV     1
 ASSI { 4329}
   (( segid "    " and resid 114  and name HG1 ))
   (( segid "    " and resid 114  and name HB2 ))
      6.000     4.500     0.000 peak  4329 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.999 ppm2      2.860 CV     1
 ASSI { 4331}
   (( segid "    " and resid 66   and name HG2 ))
   (( segid "    " and resid 66   and name HB2 ))
      6.000     4.500     0.000 peak  4331 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.746 ppm2      1.276 CV     1
 ASSI { 4335}
   (( segid "    " and resid 66   and name HG2 ))
   (( segid "    " and resid 66   and name HG1 ))
      6.000     4.500     0.000 peak  4335 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.742 ppm2      0.787 CV     1
 ASSI { 4337}
   (( segid "    " and resid 66   and name HG2 ))
   (  segid "    " and resid 111  and name HD2%)
      6.000     4.500     0.000 peak  4337 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.741 ppm2      0.358 CV     1
 ASSI { 4345}
   (( segid "    " and resid 60   and name HG  ))
   (( segid "    " and resid 32   and name HB2 ))
      6.000     4.500     0.000 peak  4345 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.302 ppm2      3.356 CV     1
 ASSI { 4351}
   (  segid "    " and resid 22   and name HD1%)
   (  segid "    " and resid 36   and name HG2%)
      6.000     4.500     0.000 peak  4351 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.138 ppm2      1.394 CV     1
 ASSI { 4362}
   (( segid "    " and resid 147  and name HG  ))
   (  segid "    " and resid 147  and name HD2%)
      6.000     4.500     0.000 peak  4362 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.874 ppm2     -0.563 CV     1
 ASSI { 4369}
   (  segid "    " and resid 34   and name HD1%)
   (  segid "    " and resid 35   and name HG2%)
      6.000     4.500     0.000 peak  4369 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.813 ppm2      1.273 CV     1
 ASSI { 4381}
   (  segid "    " and resid 128  and name HD1%)
   (( segid "    " and resid 100  and name HB2 ))
      6.000     4.500     0.000 peak  4381 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.590 ppm2      1.998 CV     1
 OR { 4381}
   (  segid "    " and resid 128  and name HD2%)
   (( segid "    " and resid 100  and name HB2 ))
 ASSI { 4382}
   (  segid "    " and resid 128  and name HD1%)
   (( segid "    " and resid 100  and name HB1 ))
      6.000     4.500     0.000 peak  4382 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.589 ppm2      1.812 CV     1
 OR { 4382}
   (  segid "    " and resid 128  and name HD2%)
   (( segid "    " and resid 100  and name HB1 ))
 ASSI { 4384}
   (  segid "    " and resid 128  and name HD2%)
   (( segid "    " and resid 143  and name HG  ))
      6.000     4.500     0.000 peak  4384 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.589 ppm2      0.967 CV     1
 ASSI { 4387}
   (  segid "    " and resid 128  and name HD1%)
   (( segid "    " and resid 128  and name HG  ))
      6.000     4.500     0.000 peak  4387 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.591 ppm2      0.322 CV     1
 OR { 4387}
   (  segid "    " and resid 128  and name HD2%)
   (( segid "    " and resid 128  and name HG  ))
 ASSI { 4388}
   (  segid "    " and resid 128  and name HD2%)
   (  segid "    " and resid 135  and name HD2%)
      6.000     4.500     0.000 peak  4388 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.591 ppm2      0.115 CV     1
 OR { 4388}
   (  segid "    " and resid 128  and name HD1%)
   (  segid "    " and resid 135  and name HD2%)
 ASSI { 4392}
   (  segid "    " and resid 155  and name HD1%)
   (( segid "    " and resid 126  and name HB2 ))
      6.000     4.500     0.000 peak  4392 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.501 ppm2      3.113 CV     1
 OR { 4392}
   (  segid "    " and resid 155  and name HD2%)
   (( segid "    " and resid 126  and name HB2 ))
 ASSI { 4393}
   (  segid "    " and resid 70   and name HD2%)
   (( segid "    " and resid 74   and name HG2 ))
      6.000     4.500     0.000 peak  4393 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.502 ppm2      2.972 CV     1
 ASSI { 4395}
   (  segid "    " and resid 155  and name HD1%)
   (( segid "    " and resid 155  and name HB1 ))
      6.000     4.500     0.000 peak  4395 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.501 ppm2      1.424 CV     1
 OR { 4395}
   (  segid "    " and resid 155  and name HD1%)
   (( segid "    " and resid 155  and name HB2 ))
 OR { 4395}
   (  segid "    " and resid 155  and name HD2%)
   (( segid "    " and resid 155  and name HB1 ))
 ASSI { 4407}
   (( segid "    " and resid 157  and name HG1 ))
   (( segid "    " and resid 157  and name HE1 ))
      6.000     4.500     0.000 peak  4407 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.303 ppm2      2.983 CV     1
 OR { 4407}
   (( segid "    " and resid 157  and name HG1 ))
   (( segid "    " and resid 157  and name HE2 ))
 ASSI { 4409}
   (( segid "    " and resid 157  and name HG1 ))
   (( segid "    " and resid 157  and name HG2 ))
      6.000     4.500     0.000 peak  4409 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.297 ppm2      1.644 CV     1
 ASSI { 4417}
   (( segid "    " and resid 125  and name HG  ))
   (( segid "    " and resid 118  and name HG1 ))
      6.000     4.500     0.000 peak  4417 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.324 ppm2      3.359 CV     1
 OR { 4417}
   (( segid "    " and resid 125  and name HG  ))
   (( segid "    " and resid 118  and name HG2 ))
 ASSI { 4422}
   (  segid "    " and resid 135  and name HD1%)
   (( segid "    " and resid 135  and name HA  ))
      6.000     4.500     0.000 peak  4422 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.379 ppm2      3.851 CV     1
 ASSI { 4423}
   (  segid "    " and resid 135  and name HD1%)
   (( segid "    " and resid 135  and name HG  ))
      6.000     4.500     0.000 peak  4423 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.380 ppm2      1.274 CV     1
 ASSI { 4426}
   (  segid "    " and resid 135  and name HD1%)
   (  segid "    " and resid 135  and name HD2%)
      6.000     4.500     0.000 peak  4426 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.380 ppm2      0.116 CV     1
 ASSI { 4427}
   (  segid "    " and resid 111  and name HD2%)
   (( segid "    " and resid 111  and name HA  ))
      6.000     4.500     0.000 peak  4427 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.327 ppm2      3.914 CV     1
 ASSI { 4431}
   (  segid "    " and resid 111  and name HD2%)
   (  segid "    " and resid 106  and name HD1%)
      6.000     4.500     0.000 peak  4431 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.329 ppm2      0.631 CV     1
 ASSI { 4434}
   (  segid "    " and resid 135  and name HD2%)
   (( segid "    " and resid 143  and name HB2 ))
      6.000     4.500     0.000 peak  4434 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.118 ppm2      2.203 CV     1
 ASSI { 4441}
   (  segid "    " and resid 135  and name HD2%)
   (  segid "    " and resid 100  and name HD2%)
      6.000     4.500     0.000 peak  4441 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.112 ppm2      0.666 CV     1
 ASSI { 4453}
   (  segid "    " and resid 135  and name HD1%)
   (  segid "    " and resid 132  and name HB% )
      6.000     4.500     0.000 peak  4453 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.380 ppm2      1.012 CV     1
 ASSI { 4458}
   (( segid "    " and resid 131  and name HG12))
   (  segid "    " and resid 131  and name HD1%)
      6.000     4.500     0.000 peak  4458 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.658 ppm2      0.866 CV     1
 OR { 4458}
   (( segid "    " and resid 131  and name HG11))
   (  segid "    " and resid 131  and name HD1%)
 OR { 4458}
   (( segid "    " and resid 131  and name HG12))
   (  segid "    " and resid 131  and name HG2%)
 ASSI { 4459}
   (( segid "    " and resid 131  and name HG11))
   (( segid "    " and resid 128  and name HG  ))
      6.000     4.500     0.000 peak  4459 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.662 ppm2      0.303 CV     1
 OR { 4459}
   (( segid "    " and resid 131  and name HG12))
   (( segid "    " and resid 128  and name HG  ))
 ASSI { 4460}
   (( segid "    " and resid 131  and name HG12))
   (( segid "    " and resid 128  and name HA  ))
      6.000     4.500     0.000 peak  4460 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.646 ppm2      3.866 CV     1
 OR { 4460}
   (( segid "    " and resid 131  and name HG11))
   (( segid "    " and resid 128  and name HA  ))
 ASSI { 4461}
   (( segid "    " and resid 23   and name HG2 ))
   (( segid "    " and resid 20   and name HA  ))
      6.000     4.500     0.000 peak  4461 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.564 ppm2      4.164 CV     1
 ASSI { 4464}
   (( segid "    " and resid 23   and name HG2 ))
   (( segid "    " and resid 23   and name HG1 ))
      6.000     4.500     0.000 peak  4464 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.566 ppm2      1.457 CV     1
 OR { 4464}
   (( segid "    " and resid 23   and name HG2 ))
   (( segid "    " and resid 23   and name HD1 ))
 ASSI { 4480}
   (( segid "    " and resid 121  and name HG2 ))
   (  segid "    " and resid 45   and name HD1%)
      6.000     4.500     0.000 peak  4480 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.354 ppm2      0.846 CV     1
 ASSI { 4487}
   (( segid "    " and resid 154  and name HG2 ))
   (( segid "    " and resid 154  and name HG1 ))
      6.000     4.500     0.000 peak  4487 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.195 ppm2      0.738 CV     1
 ASSI { 4493}
   (( segid "    " and resid 143  and name HG  ))
   (( segid "    " and resid 125  and name HA  ))
      6.000     4.500     0.000 peak  4493 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.967 ppm2      3.835 CV     1
 ASSI { 4494}
   (( segid "    " and resid 143  and name HG  ))
   (( segid "    " and resid 129  and name HB1 ))
      6.000     4.500     0.000 peak  4494 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.968 ppm2      2.903 CV     1
 ASSI { 4496}
   (( segid "    " and resid 143  and name HG  ))
   (( segid "    " and resid 143  and name HB1 ))
      6.000     4.500     0.000 peak  4496 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.968 ppm2      1.345 CV     1
 ASSI { 4497}
   (( segid "    " and resid 143  and name HG  ))
   (  segid "    " and resid 125  and name HD2%)
      6.000     4.500     0.000 peak  4497 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.966 ppm2      0.476 CV     1
 OR { 4497}
   (( segid "    " and resid 143  and name HG  ))
   (  segid "    " and resid 125  and name HD1%)
 ASSI { 4500}
   (( segid "    " and resid 143  and name HG  ))
   (  segid "    " and resid 147  and name HD1%)
      6.000     4.500     0.000 peak  4500 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.966 ppm2     -0.459 CV     1
 ASSI { 4517}
   (  segid "    " and resid 54   and name HD1%)
   (( segid "    " and resid 39   and name HB2 ))
      6.000     4.500     0.000 peak  4517 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1     -0.632 ppm2      3.406 CV     1
 OR { 4517}
   (  segid "    " and resid 54   and name HD2%)
   (( segid "    " and resid 39   and name HB2 ))
 ASSI { 4518}
   (  segid "    " and resid 54   and name HD1%)
   (( segid "    " and resid 158  and name HB2 ))
      6.000     4.500     0.000 peak  4518 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1     -0.631 ppm2      3.075 CV     1
 OR { 4518}
   (  segid "    " and resid 54   and name HD2%)
   (( segid "    " and resid 158  and name HB2 ))
 ASSI { 4523}
   (  segid "    " and resid 54   and name HD2%)
   (( segid "    " and resid 7    and name HB  ))
      6.000     4.500     0.000 peak  4523 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1     -0.633 ppm2      1.510 CV     1
 ASSI { 4527}
   (  segid "    " and resid 54   and name HD2%)
   (  segid "    " and resid 18   and name HG2%)
      6.000     4.500     0.000 peak  4527 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1     -0.632 ppm2      0.638 CV     1
 OR { 4527}
   (  segid "    " and resid 54   and name HD1%)
   (  segid "    " and resid 18   and name HG2%)
 ASSI { 4542}
   (( segid "    " and resid 131  and name HG11))
   (( segid "    " and resid 100  and name HB2 ))
      6.000     4.500     0.000 peak  4542 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.644 ppm2      2.000 CV     1
 OR { 4542}
   (( segid "    " and resid 131  and name HG12))
   (( segid "    " and resid 100  and name HB2 ))
 ASSI { 4547}
   (( segid "    " and resid 23   and name HG1 ))
   (( segid "    " and resid 20   and name HA  ))
      6.000     4.500     0.000 peak  4547 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.455 ppm2      4.169 CV     1
 ASSI { 4548}
   (( segid "    " and resid 23   and name HG1 ))
   (( segid "    " and resid 23   and name HA  ))
      6.000     4.500     0.000 peak  4548 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.454 ppm2      4.005 CV     1
 ASSI { 4550}
   (( segid "    " and resid 23   and name HG1 ))
   (( segid "    " and resid 23   and name HD2 ))
      6.000     4.500     0.000 peak  4550 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.445 ppm2      1.702 CV     1
 ASSI { 4551}
   (( segid "    " and resid 23   and name HG1 ))
   (( segid "    " and resid 23   and name HG2 ))
      6.000     4.500     0.000 peak  4551 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.454 ppm2      1.558 CV     1
 ASSI { 4552}
   (( segid "    " and resid 85   and name HG1 ))
   (( segid "    " and resid 85   and name HE2 ))
      6.000     4.500     0.000 peak  4552 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.437 ppm2      2.998 CV     1
 OR { 4552}
   (( segid "    " and resid 85   and name HG1 ))
   (( segid "    " and resid 85   and name HE1 ))
 OR { 4552}
   (( segid "    " and resid 85   and name HG2 ))
   (( segid "    " and resid 85   and name HE2 ))
 OR { 4552}
   (( segid "    " and resid 85   and name HG2 ))
   (( segid "    " and resid 85   and name HE1 ))
 ASSI { 4573}
   (  segid "    " and resid 100  and name HD1%)
   (( segid "    " and resid 99   and name HB2 ))
      6.000     4.500     0.000 peak  4573 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.079 ppm2      2.276 CV     1
 ASSI { 4576}
   (  segid "    " and resid 100  and name HD1%)
   (( segid "    " and resid 100  and name HG  ))
      6.000     4.500     0.000 peak  4576 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.076 ppm2      1.613 CV     1
 ASSI { 4578}
   (  segid "    " and resid 100  and name HD1%)
   (( segid "    " and resid 128  and name HB1 ))
      6.000     4.500     0.000 peak  4578 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.075 ppm2      1.222 CV     1
 ASSI { 4580}
   (  segid "    " and resid 100  and name HD1%)
   (  segid "    " and resid 100  and name HD2%)
      6.000     4.500     0.000 peak  4580 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.076 ppm2      0.668 CV     1
 ASSI { 4582}
   (  segid "    " and resid 100  and name HD1%)
   (  segid "    " and resid 135  and name HD1%)
      6.000     4.500     0.000 peak  4582 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.075 ppm2      0.368 CV     1
 ASSI { 4583}
   (  segid "    " and resid 100  and name HD1%)
   (  segid "    " and resid 135  and name HD2%)
      6.000     4.500     0.000 peak  4583 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.075 ppm2      0.119 CV     1
 ASSI { 4593}
   (( segid "    " and resid 121  and name HG1 ))
   (( segid "    " and resid 121  and name HB1 ))
      6.000     4.500     0.000 peak  4593 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.733 ppm2     -0.637 CV     1
 ASSI { 4594}
   (  segid "    " and resid 147  and name HD1%)
   (( segid "    " and resid 147  and name HA  ))
      6.000     4.500     0.000 peak  4594 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1     -0.454 ppm2      3.663 CV     1
 ASSI { 4605}
   (  segid "    " and resid 147  and name HD1%)
   (( segid "    " and resid 147  and name HB1 ))
      6.000     4.500     0.000 peak  4605 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1     -0.459 ppm2      0.651 CV     1
 ASSI { 4606}
   (  segid "    " and resid 25   and name HD2%)
   (( segid "    " and resid 25   and name HA  ))
      6.000     4.500     0.000 peak  4606 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.850 ppm2      3.903 CV     1
 OR { 4606}
   (  segid "    " and resid 25   and name HD1%)
   (( segid "    " and resid 25   and name HA  ))
 ASSI { 4615}
   (  segid "    " and resid 22   and name HD2%)
   (( segid "    " and resid 18   and name HA  ))
      6.000     4.500     0.000 peak  4615 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.905 ppm2      3.422 CV     1
 ASSI { 4619}
   (  segid "    " and resid 22   and name HD2%)
   (( segid "    " and resid 22   and name HB1 ))
      6.000     4.500     0.000 peak  4619 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.902 ppm2      1.487 CV     1
 ASSI { 4626}
   (  segid "    " and resid 25   and name HD1%)
   (( segid "    " and resid 22   and name HB2 ))
      6.000     4.500     0.000 peak  4626 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.863 ppm2      2.046 CV     1
 ASSI { 4630}
   (  segid "    " and resid 25   and name HD2%)
   (  segid "    " and resid 96   and name HD1%)
      6.000     4.500     0.000 peak  4630 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.866 ppm2      1.131 CV     1
 OR { 4630}
   (  segid "    " and resid 25   and name HD1%)
   (  segid "    " and resid 96   and name HD1%)
 ASSI { 4634}
   (  segid "    " and resid 111  and name HD1%)
   (( segid "    " and resid 98   and name HB  ))
      6.000     4.500     0.000 peak  4634 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.381 ppm2      2.129 CV     1
 ASSI { 4636}
   (  segid "    " and resid 111  and name HD1%)
   (( segid "    " and resid 111  and name HB2 ))
      6.000     4.500     0.000 peak  4636 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.382 ppm2      1.336 CV     1
 ASSI { 4637}
   (  segid "    " and resid 111  and name HD1%)
   (( segid "    " and resid 70   and name HB1 ))
      6.000     4.500     0.000 peak  4637 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.382 ppm2      1.020 CV     1
 ASSI { 4641}
   (  segid "    " and resid 42   and name HG2%)
   (( segid "    " and resid 43   and name HD2 ))
      6.000     4.500     0.000 peak  4641 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.449 ppm2      3.829 CV     1
 OR { 4641}
   (  segid "    " and resid 42   and name HG2%)
   (( segid "    " and resid 43   and name HD1 ))
 ASSI { 4644}
   (  segid "    " and resid 42   and name HG2%)
   (  segid "    " and resid 155  and name HD1%)
      6.000     4.500     0.000 peak  4644 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.448 ppm2      0.510 CV     1
 OR { 4644}
   (  segid "    " and resid 42   and name HG2%)
   (  segid "    " and resid 155  and name HD2%)
 ASSI { 4648}
   (  segid "    " and resid 56   and name HB% )
   (( segid "    " and resid 127  and name HB2 ))
      6.000     4.500     0.000 peak  4648 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.440 ppm2      2.705 CV     1
 ASSI { 4649}
   (  segid "    " and resid 56   and name HB% )
   (( segid "    " and resid 127  and name HB1 ))
      6.000     4.500     0.000 peak  4649 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.431 ppm2      1.921 CV     1
 ASSI { 4652}
   (  segid "    " and resid 56   and name HB% )
   (( segid "    " and resid 37   and name HB1 ))
      6.000     4.500     0.000 peak  4652 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.423 ppm2      4.105 CV     1
 ASSI { 4657}
   (  segid "    " and resid 56   and name HB% )
   (( segid "    " and resid 54   and name HG  ))
      6.000     4.500     0.000 peak  4657 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.421 ppm2      0.237 CV     1
 ASSI { 4659}
   (  segid "    " and resid 56   and name HB% )
   (  segid "    " and resid 54   and name HD2%)
      6.000     4.500     0.000 peak  4659 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.419 ppm2     -0.626 CV     1
 ASSI { 4660}
   (  segid "    " and resid 93   and name HG2%)
   (( segid "    " and resid 82   and name HA  ))
      6.000     4.500     0.000 peak  4660 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.216 ppm2      4.371 CV     1
 ASSI { 4663}
   (  segid "    " and resid 93   and name HG2%)
   (( segid "    " and resid 17   and name HG1 ))
      6.000     4.500     0.000 peak  4663 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.219 ppm2      2.646 CV     1
 ASSI { 4664}
   (  segid "    " and resid 93   and name HG2%)
   (( segid "    " and resid 83   and name HB  ))
      6.000     4.500     0.000 peak  4664 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.221 ppm2      2.121 CV     1
 ASSI { 4666}
   (  segid "    " and resid 93   and name HG2%)
   (( segid "    " and resid 82   and name HG1 ))
      6.000     4.500     0.000 peak  4666 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.217 ppm2      1.387 CV     1
 ASSI { 4669}
   (  segid "    " and resid 93   and name HG2%)
   (  segid "    " and resid 83   and name HG2%)
      6.000     4.500     0.000 peak  4669 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.218 ppm2      0.961 CV     1
 ASSI { 4670}
   (  segid "    " and resid 93   and name HG2%)
   (( segid "    " and resid 11   and name HG  ))
      6.000     4.500     0.000 peak  4670 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.217 ppm2      0.814 CV     1
 ASSI { 4683}
   (  segid "    " and resid 111  and name HD1%)
   (( segid "    " and resid 98   and name HG12))
      6.000     4.500     0.000 peak  4683 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.381 ppm2      1.866 CV     1
 ASSI { 4684}
   (  segid "    " and resid 111  and name HD1%)
   (( segid "    " and resid 111  and name HB1 ))
      6.000     4.500     0.000 peak  4684 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.381 ppm2      0.893 CV     1
 ASSI { 4685}
   (  segid "    " and resid 111  and name HD1%)
   (  segid "    " and resid 70   and name HD1%)
      6.000     4.500     0.000 peak  4685 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.381 ppm2      0.753 CV     1
 ASSI { 4709}
   (  segid "    " and resid 18   and name HG2%)
   (( segid "    " and resid 14   and name HB1 ))
      6.000     4.500     0.000 peak  4709 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.641 ppm2      1.911 CV     1
 ASSI { 4711}
   (  segid "    " and resid 18   and name HG2%)
   (( segid "    " and resid 14   and name HB2 ))
      6.000     4.500     0.000 peak  4711 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.640 ppm2      1.122 CV     1
 ASSI { 4712}
   (  segid "    " and resid 18   and name HG2%)
   (  segid "    " and resid 7    and name HG2%)
      6.000     4.500     0.000 peak  4712 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.639 ppm2      0.793 CV     1
 ASSI { 4715}
   (  segid "    " and resid 18   and name HG2%)
   (( segid "    " and resid 54   and name HB1 ))
      6.000     4.500     0.000 peak  4715 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.638 ppm2      0.382 CV     1
 ASSI { 4716}
   (  segid "    " and resid 18   and name HG2%)
   (  segid "    " and resid 18   and name HG1%)
      6.000     4.500     0.000 peak  4716 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.639 ppm2      0.238 CV     1
 ASSI { 4720}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 45   and name HA  ))
      6.000     4.500     0.000 peak  4720 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.054 ppm2      4.588 CV     1
 ASSI { 4721}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 45   and name HG  ))
      6.000     4.500     0.000 peak  4721 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.055 ppm2      1.341 CV     1
 ASSI { 4731}
   (  segid "    " and resid 69   and name HD2%)
   (( segid "    " and resid 69   and name HB2 ))
      6.000     4.500     0.000 peak  4731 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.945 ppm2      2.214 CV     1
 ASSI { 4732}
   (  segid "    " and resid 69   and name HD2%)
   (( segid "    " and resid 69   and name HG  ))
      6.000     4.500     0.000 peak  4732 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.943 ppm2      1.625 CV     1
 ASSI { 4733}
   (  segid "    " and resid 69   and name HD2%)
   (( segid "    " and resid 69   and name HB1 ))
      6.000     4.500     0.000 peak  4733 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.946 ppm2      1.316 CV     1
 ASSI { 4743}
   (  segid "    " and resid 70   and name HD1%)
   (( segid "    " and resid 98   and name HB  ))
      6.000     4.500     0.000 peak  4743 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.726 ppm2      2.127 CV     1
 ASSI { 4746}
   (  segid "    " and resid 70   and name HD1%)
   (  segid "    " and resid 111  and name HD2%)
      6.000     4.500     0.000 peak  4746 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.721 ppm2      0.357 CV     1
 ASSI { 4754}
   (( segid "    " and resid 128  and name HG  ))
   (  segid "    " and resid 131  and name HD1%)
      6.000     4.500     0.000 peak  4754 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.307 ppm2      0.880 CV     1
 OR { 4754}
   (( segid "    " and resid 128  and name HG  ))
   (  segid "    " and resid 131  and name HG2%)
 ASSI { 4763}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 25   and name HB2 ))
      6.000     4.500     0.000 peak  4763 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.020 ppm2      2.111 CV     1
 OR { 4763}
   (  segid "    " and resid 58   and name HG1%)
   (( segid "    " and resid 25   and name HB2 ))
 ASSI { 4769}
   (  segid "    " and resid 58   and name HG1%)
   (  segid "    " and resid 36   and name HG2%)
      6.000     4.500     0.000 peak  4769 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.012 ppm2      1.373 CV     1
 ASSI { 4770}
   (  segid "    " and resid 58   and name HG2%)
   (  segid "    " and resid 59   and name HB% )
      6.000     4.500     0.000 peak  4770 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.008 ppm2      1.278 CV     1
 OR { 4770}
   (  segid "    " and resid 58   and name HG1%)
   (  segid "    " and resid 59   and name HB% )
 ASSI { 4771}
   (  segid "    " and resid 58   and name HG2%)
   (  segid "    " and resid 96   and name HD1%)
      6.000     4.500     0.000 peak  4771 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.012 ppm2      1.160 CV     1
 ASSI { 4772}
   (  segid "    " and resid 58   and name HG2%)
   (  segid "    " and resid 60   and name HD1%)
      6.000     4.500     0.000 peak  4772 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.013 ppm2      0.752 CV     1
 ASSI { 4773}
   (  segid "    " and resid 58   and name HG2%)
   (  segid "    " and resid 7    and name HD1%)
      6.000     4.500     0.000 peak  4773 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.010 ppm2      0.671 CV     1
 ASSI { 4776}
   (  segid "    " and resid 94   and name HD2%)
   (( segid "    " and resid 77   and name HB2 ))
      6.000     4.500     0.000 peak  4776 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.875 ppm2      2.612 CV     1
 ASSI { 4778}
   (  segid "    " and resid 94   and name HD1%)
   (( segid "    " and resid 9    and name HB2 ))
      6.000     4.500     0.000 peak  4778 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.866 ppm2      3.856 CV     1
 ASSI { 4779}
   (  segid "    " and resid 94   and name HD1%)
   (( segid "    " and resid 18   and name HA  ))
      6.000     4.500     0.000 peak  4779 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.865 ppm2      3.432 CV     1
 ASSI { 4780}
   (  segid "    " and resid 94   and name HD1%)
   (( segid "    " and resid 9    and name HB1 ))
      6.000     4.500     0.000 peak  4780 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.864 ppm2      3.105 CV     1
 ASSI { 4784}
   (  segid "    " and resid 70   and name HD1%)
   (( segid "    " and resid 70   and name HB2 ))
      6.000     4.500     0.000 peak  4784 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.721 ppm2      1.876 CV     1
 ASSI { 4786}
   (  segid "    " and resid 70   and name HD1%)
   (( segid "    " and resid 98   and name HG11))
      6.000     4.500     0.000 peak  4786 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.723 ppm2      0.992 CV     1
 ASSI { 4787}
   (  segid "    " and resid 70   and name HD1%)
   (  segid "    " and resid 70   and name HD2%)
      6.000     4.500     0.000 peak  4787 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.721 ppm2      0.486 CV     1
 ASSI { 4788}
   (( segid "    " and resid 128  and name HG  ))
   (( segid "    " and resid 100  and name HB1 ))
      6.000     4.500     0.000 peak  4788 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.305 ppm2      1.810 CV     1
 ASSI { 4792}
   (  segid "    " and resid 113  and name HG1%)
   (( segid "    " and resid 101  and name HB1 ))
      6.000     4.500     0.000 peak  4792 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.889 ppm2      2.328 CV     1
 ASSI { 4797}
   (  segid "    " and resid 113  and name HG1%)
   (( segid "    " and resid 101  and name HB2 ))
      6.000     4.500     0.000 peak  4797 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.880 ppm2      3.348 CV     1
 ASSI { 4799}
   (  segid "    " and resid 94   and name HD2%)
   (( segid "    " and resid 80   and name HA  ))
      6.000     4.500     0.000 peak  4799 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.853 ppm2      4.528 CV     1
 ASSI { 4808}
   (  segid "    " and resid 57   and name HB% )
   (( segid "    " and resid 37   and name HB1 ))
      6.000     4.500     0.000 peak  4808 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.357 ppm2      4.084 CV     1
 ASSI { 4809}
   (  segid "    " and resid 57   and name HB% )
   (( segid "    " and resid 128  and name HA  ))
      6.000     4.500     0.000 peak  4809 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.363 ppm2      3.847 CV     1
 ASSI { 4819}
   (  segid "    " and resid 57   and name HB% )
   (  segid "    " and resid 131  and name HD1%)
      6.000     4.500     0.000 peak  4819 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.362 ppm2      0.876 CV     1
 OR { 4819}
   (  segid "    " and resid 57   and name HB% )
   (  segid "    " and resid 131  and name HG2%)
 ASSI { 4821}
   (  segid "    " and resid 57   and name HB% )
   (  segid "    " and resid 128  and name HD1%)
      6.000     4.500     0.000 peak  4821 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.362 ppm2      0.594 CV     1
 OR { 4821}
   (  segid "    " and resid 57   and name HB% )
   (  segid "    " and resid 128  and name HD2%)
 ASSI { 4822}
   (  segid "    " and resid 57   and name HB% )
   (( segid "    " and resid 128  and name HG  ))
      6.000     4.500     0.000 peak  4822 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.363 ppm2      0.305 CV     1
 ASSI { 4825}
   (  segid "    " and resid 149  and name HG2%)
   (( segid "    " and resid 150  and name HD2 ))
      6.000     4.500     0.000 peak  4825 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.282 ppm2      3.129 CV     1
 ASSI { 4836}
   (( segid "    " and resid 64   and name HG  ))
   (( segid "    " and resid 30   and name HB1 ))
      6.000     4.500     0.000 peak  4836 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.769 ppm2      2.015 CV     1
 ASSI { 4837}
   (  segid "    " and resid 2    and name HG2%)
   (( segid "    " and resid 61   and name HG1 ))
      6.000     4.500     0.000 peak  4837 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.771 ppm2      1.967 CV     1
 ASSI { 4839}
   (  segid "    " and resid 2    and name HG2%)
   (  segid "    " and resid 2    and name HG1%)
      6.000     4.500     0.000 peak  4839 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.775 ppm2      0.128 CV     1
 ASSI { 4863}
   (( segid "    " and resid 54   and name HG  ))
   (( segid "    " and resid 54   and name HB2 ))
      6.000     4.500     0.000 peak  4863 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.237 ppm2      0.968 CV     1
 ASSI { 4865}
   (( segid "    " and resid 54   and name HG  ))
   (  segid "    " and resid 18   and name HG2%)
      6.000     4.500     0.000 peak  4865 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.238 ppm2      0.635 CV     1
 ASSI { 4867}
   (( segid "    " and resid 54   and name HG  ))
   (  segid "    " and resid 54   and name HD1%)
      6.000     4.500     0.000 peak  4867 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.239 ppm2     -0.634 CV     1
 OR { 4867}
   (( segid "    " and resid 54   and name HG  ))
   (  segid "    " and resid 54   and name HD2%)
 ASSI { 4875}
   (  segid "    " and resid 147  and name HD2%)
   (  segid "    " and resid 125  and name HD1%)
      6.000     4.500     0.000 peak  4875 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1     -0.569 ppm2      0.482 CV     1
 ASSI { 4879}
   (  segid "    " and resid 149  and name HG2%)
   (( segid "    " and resid 146  and name HA  ))
      6.000     4.500     0.000 peak  4879 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.280 ppm2      3.650 CV     1
 ASSI { 4883}
   (  segid "    " and resid 59   and name HB% )
   (( segid "    " and resid 131  and name HG11))
      6.000     4.500     0.000 peak  4883 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.264 ppm2      1.641 CV     1
 OR { 4883}
   (  segid "    " and resid 59   and name HB% )
   (( segid "    " and resid 131  and name HG12))
 ASSI { 4884}
   (  segid "    " and resid 59   and name HB% )
   (( segid "    " and resid 34   and name HB2 ))
      6.000     4.500     0.000 peak  4884 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.255 ppm2      1.705 CV     1
 ASSI { 4885}
   (  segid "    " and resid 59   and name HB% )
   (  segid "    " and resid 2    and name HG1%)
      6.000     4.500     0.000 peak  4885 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.258 ppm2      0.133 CV     1
 ASSI { 4890}
   (  segid "    " and resid 113  and name HG2%)
   (( segid "    " and resid 114  and name HD2 ))
      6.000     4.500     0.000 peak  4890 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.177 ppm2      3.690 CV     1
 ASSI { 4893}
   (  segid "    " and resid 113  and name HG2%)
   (( segid "    " and resid 114  and name HG2 ))
      6.000     4.500     0.000 peak  4893 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.176 ppm2      2.459 CV     1
 ASSI { 4894}
   (  segid "    " and resid 113  and name HG2%)
   (( segid "    " and resid 101  and name HB1 ))
      6.000     4.500     0.000 peak  4894 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.176 ppm2      2.329 CV     1
 ASSI { 4895}
   (  segid "    " and resid 113  and name HG2%)
   (( segid "    " and resid 114  and name HB1 ))
      6.000     4.500     0.000 peak  4895 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.176 ppm2      2.141 CV     1
 ASSI { 4897}
   (  segid "    " and resid 113  and name HG2%)
   (( segid "    " and resid 113  and name HB  ))
      6.000     4.500     0.000 peak  4897 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.176 ppm2      1.879 CV     1
 ASSI { 4907}
   (  segid "    " and resid 136  and name HG1%)
   (( segid "    " and resid 135  and name HB2 ))
      6.000     4.500     0.000 peak  4907 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.063 ppm2      1.745 CV     1
 OR { 4907}
   (  segid "    " and resid 136  and name HG2%)
   (( segid "    " and resid 135  and name HB2 ))
 ASSI { 4911}
   (  segid "    " and resid 2    and name HG2%)
   (  segid "    " and resid 59   and name HB% )
      6.000     4.500     0.000 peak  4911 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.783 ppm2      1.265 CV     1
 ASSI { 4914}
   (( segid "    " and resid 54   and name HG  ))
   (( segid "    " and resid 18   and name HB  ))
      6.000     4.500     0.000 peak  4914 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.238 ppm2      1.526 CV     1
 ASSI { 4920}
   (  segid "    " and resid 147  and name HD2%)
   (( segid "    " and resid 129  and name HB2 ))
      6.000     4.500     0.000 peak  4920 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1     -0.567 ppm2      3.185 CV     1
 ASSI { 4933}
   (  segid "    " and resid 6    and name HB% )
   (  segid "    " and resid 5    and name HG2%)
      6.000     4.500     0.000 peak  4933 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.777 ppm2      0.856 CV     1
 ASSI { 4937}
   (  segid "    " and resid 105  and name HG2%)
   (( segid "    " and resid 114  and name HD1 ))
      6.000     4.500     0.000 peak  4937 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.036 ppm2      4.183 CV     1
 OR { 4937}
   (  segid "    " and resid 105  and name HG1%)
   (( segid "    " and resid 114  and name HD1 ))
 ASSI { 4939}
   (  segid "    " and resid 105  and name HG2%)
   (( segid "    " and resid 114  and name HD2 ))
      6.000     4.500     0.000 peak  4939 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.037 ppm2      3.688 CV     1
 OR { 4939}
   (  segid "    " and resid 105  and name HG1%)
   (( segid "    " and resid 114  and name HD2 ))
 ASSI { 4945}
   (  segid "    " and resid 83   and name HG1%)
   (( segid "    " and resid 85   and name HG1 ))
      6.000     4.500     0.000 peak  4945 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.971 ppm2      1.444 CV     1
 OR { 4945}
   (  segid "    " and resid 83   and name HG1%)
   (( segid "    " and resid 85   and name HG2 ))
 OR { 4945}
   (  segid "    " and resid 83   and name HG2%)
   (( segid "    " and resid 85   and name HG2 ))
 ASSI { 4951}
   (( segid "    " and resid 155  and name HG  ))
   (( segid "    " and resid 123  and name HB2 ))
      6.000     4.500     0.000 peak  4951 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.787 ppm2      3.333 CV     1
 ASSI { 4952}
   (( segid "    " and resid 155  and name HG  ))
   (( segid "    " and resid 127  and name HD2 ))
      6.000     4.500     0.000 peak  4952 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.787 ppm2      3.237 CV     1
 ASSI { 4953}
   (( segid "    " and resid 155  and name HG  ))
   (( segid "    " and resid 40   and name HB2 ))
      6.000     4.500     0.000 peak  4953 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.786 ppm2      3.086 CV     1
 ASSI { 4954}
   (( segid "    " and resid 155  and name HG  ))
   (( segid "    " and resid 126  and name HB1 ))
      6.000     4.500     0.000 peak  4954 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.787 ppm2      2.976 CV     1
 ASSI { 4955}
   (( segid "    " and resid 155  and name HG  ))
   (( segid "    " and resid 154  and name HE1 ))
      6.000     4.500     0.000 peak  4955 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.788 ppm2      2.850 CV     1
 OR { 4955}
   (( segid "    " and resid 155  and name HG  ))
   (( segid "    " and resid 154  and name HE2 ))
 ASSI { 4956}
   (( segid "    " and resid 155  and name HG  ))
   (( segid "    " and resid 40   and name HB1 ))
      6.000     4.500     0.000 peak  4956 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.786 ppm2      2.727 CV     1
 ASSI { 4963}
   (( segid "    " and resid 1    and name HG21))
   (  segid "    " and resid 3    and name HB% )
      6.000     4.500     0.000 peak  4963 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.562 ppm2      1.235 CV     1
 ASSI { 4965}
   (( segid "    " and resid 1    and name HG21))
   (( segid "    " and resid 2    and name HA  ))
      6.000     4.500     0.000 peak  4965 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.557 ppm2      4.233 CV     1
 ASSI { 4969}
   (  segid "    " and resid 6    and name HB% )
   (  segid "    " and resid 57   and name HB% )
      6.000     4.500     0.000 peak  4969 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.776 ppm2      1.350 CV     1
 ASSI { 4973}
   (  segid "    " and resid 112  and name HG2%)
   (( segid "    " and resid 115  and name HB1 ))
      6.000     4.500     0.000 peak  4973 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.466 ppm2      3.015 CV     1
 ASSI { 4978}
   (  segid "    " and resid 3    and name HB% )
   (( segid "    " and resid 101  and name HB1 ))
      6.000     4.500     0.000 peak  4978 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.232 ppm2      2.326 CV     1
 ASSI { 4979}
   (  segid "    " and resid 3    and name HB% )
   (( segid "    " and resid 60   and name HB2 ))
      6.000     4.500     0.000 peak  4979 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.229 ppm2      1.833 CV     1
 ASSI { 4994}
   (  segid "    " and resid 18   and name HG1%)
   (( segid "    " and resid 22   and name HB2 ))
      6.000     4.500     0.000 peak  4994 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.247 ppm2      2.049 CV     1
 ASSI { 4999}
   (  segid "    " and resid 18   and name HG1%)
   (  segid "    " and resid 56   and name HB% )
      6.000     4.500     0.000 peak  4999 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.236 ppm2      1.402 CV     1
 ASSI { 5000}
   (  segid "    " and resid 18   and name HG1%)
   (  segid "    " and resid 22   and name HD1%)
      6.000     4.500     0.000 peak  5000 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.238 ppm2      1.136 CV     1
 ASSI { 5002}
   (  segid "    " and resid 18   and name HG1%)
   (  segid "    " and resid 7    and name HG2%)
      6.000     4.500     0.000 peak  5002 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.237 ppm2      0.824 CV     1
 ASSI { 5005}
   (  segid "    " and resid 18   and name HG1%)
   (  segid "    " and resid 54   and name HD2%)
      6.000     4.500     0.000 peak  5005 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.237 ppm2     -0.637 CV     1
 OR { 5005}
   (  segid "    " and resid 18   and name HG1%)
   (  segid "    " and resid 54   and name HD1%)
 ASSI { 5009}
   (  segid "    " and resid 2    and name HG1%)
   (( segid "    " and resid 34   and name HB1 ))
      6.000     4.500     0.000 peak  5009 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.137 ppm2      1.542 CV     1
 ASSI { 5016}
   (  segid "    " and resid 36   and name HG2%)
   (  segid "    " and resid 18   and name HG1%)
      6.000     4.500     0.000 peak  5016 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.360 ppm2      0.241 CV     1
 ASSI { 5028}
   (  segid "    " and resid 86   and name HB% )
   (( segid "    " and resid 87   and name HB1 ))
      6.000     4.500     0.000 peak  5028 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.450 ppm2      2.033 CV     1
 OR { 5028}
   (  segid "    " and resid 86   and name HB% )
   (( segid "    " and resid 87   and name HB2 ))
 ASSI { 5029}
   (  segid "    " and resid 86   and name HB% )
   (( segid "    " and resid 88   and name HB2 ))
      6.000     4.500     0.000 peak  5029 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.451 ppm2      1.713 CV     1
 ASSI { 5034}
   (  segid "    " and resid 21   and name HB% )
   (( segid "    " and resid 80   and name HB2 ))
      6.000     4.500     0.000 peak  5034 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.586 ppm2      2.909 CV     1
 ASSI { 5036}
   (  segid "    " and resid 24   and name HB% )
   (( segid "    " and resid 76   and name HG11))
      6.000     4.500     0.000 peak  5036 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.575 ppm2      2.121 CV     1
 OR { 5036}
   (  segid "    " and resid 24   and name HB% )
   (( segid "    " and resid 76   and name HG12))
 ASSI { 5043}
   (  segid "    " and resid 21   and name HB% )
   (  segid "    " and resid 18   and name HG1%)
      6.000     4.500     0.000 peak  5043 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.563 ppm2      0.244 CV     1
 ASSI { 5044}
   (  segid "    " and resid 21   and name HB% )
   (( segid "    " and resid 18   and name HA  ))
      6.000     4.500     0.000 peak  5044 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.560 ppm2      3.429 CV     1
 ASSI { 5076}
   (  segid "    " and resid 132  and name HB% )
   (( segid "    " and resid 135  and name HA  ))
      6.000     4.500     0.000 peak  5076 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.017 ppm2      3.857 CV     1
 ASSI { 5082}
   (  segid "    " and resid 15   and name HD1%)
   (( segid "    " and resid 14   and name HB2 ))
      6.000     4.500     0.000 peak  5082 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.019 ppm2      1.163 CV     1
 OR { 5082}
   (  segid "    " and resid 15   and name HD2%)
   (( segid "    " and resid 14   and name HB2 ))
 ASSI { 5083}
   (  segid "    " and resid 15   and name HD1%)
   (  segid "    " and resid 18   and name HG2%)
      6.000     4.500     0.000 peak  5083 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.017 ppm2      0.644 CV     1
 OR { 5083}
   (  segid "    " and resid 15   and name HD2%)
   (  segid "    " and resid 18   and name HG2%)
 ASSI { 5085}
   (  segid "    " and resid 132  and name HB% )
   (  segid "    " and resid 135  and name HD2%)
      6.000     4.500     0.000 peak  5085 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.019 ppm2      0.136 CV     1
 ASSI { 5086}
   (  segid "    " and resid 15   and name HD1%)
   (( segid "    " and resid 15   and name HA  ))
      6.000     4.500     0.000 peak  5086 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.014 ppm2      3.431 CV     1
 OR { 5086}
   (  segid "    " and resid 15   and name HD2%)
   (( segid "    " and resid 15   and name HA  ))
 ASSI { 5099}
   (  segid "    " and resid 62   and name HG2%)
   (( segid "    " and resid 69   and name HB2 ))
      6.000     4.500     0.000 peak  5099 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.116 ppm2      2.216 CV     1
 ASSI { 5104}
   (  segid "    " and resid 62   and name HG2%)
   (  segid "    " and resid 2    and name HG1%)
      6.000     4.500     0.000 peak  5104 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.115 ppm2      0.121 CV     1
 ASSI { 5106}
   (  segid "    " and resid 62   and name HG2%)
   (( segid "    " and resid 64   and name HG  ))
      6.000     4.500     0.000 peak  5106 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.113 ppm2      0.746 CV     1
 ASSI { 5111}
   (  segid "    " and resid 106  and name HG2%)
   (  segid "    " and resid 108  and name HG2%)
      6.000     4.500     0.000 peak  5111 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.944 ppm2      1.220 CV     1
 ASSI { 5112}
   (  segid "    " and resid 106  and name HG2%)
   (  segid "    " and resid 106  and name HD1%)
      6.000     4.500     0.000 peak  5112 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.945 ppm2      0.641 CV     1
 ASSI { 5114}
   (  segid "    " and resid 106  and name HG2%)
   (  segid "    " and resid 111  and name HD2%)
      6.000     4.500     0.000 peak  5114 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.945 ppm2      0.344 CV     1
 ASSI { 5118}
   (  segid "    " and resid 131  and name HG2%)
   (  segid "    " and resid 59   and name HB% )
      6.000     4.500     0.000 peak  5118 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.849 ppm2      1.272 CV     1
 ASSI { 5135}
   (  segid "    " and resid 131  and name HG2%)
   (( segid "    " and resid 128  and name HG  ))
      6.000     4.500     0.000 peak  5135 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.845 ppm2      0.283 CV     1
 ASSI { 5138}
   (  segid "    " and resid 76   and name HG2%)
   (( segid "    " and resid 77   and name HA  ))
      6.000     4.500     0.000 peak  5138 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.836 ppm2      3.747 CV     1
 ASSI { 5140}
   (  segid "    " and resid 76   and name HG2%)
   (( segid "    " and resid 80   and name HG2 ))
      6.000     4.500     0.000 peak  5140 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.837 ppm2      2.524 CV     1
 ASSI { 5143}
   (  segid "    " and resid 76   and name HG2%)
   (( segid "    " and resid 76   and name HA  ))
      6.000     4.500     0.000 peak  5143 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.830 ppm2      3.600 CV     1
 ASSI { 5147}
   (  segid "    " and resid 146  and name HG2%)
   (  segid "    " and resid 147  and name HD2%)
      6.000     4.500     0.000 peak  5147 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.755 ppm2     -0.573 CV     1
 ASSI { 5149}
   (  segid "    " and resid 146  and name HG2%)
   (( segid "    " and resid 150  and name HD1 ))
      6.000     4.500     0.000 peak  5149 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.752 ppm2      2.964 CV     1
 ASSI { 5152}
   (  segid "    " and resid 65   and name HB% )
   (( segid "    " and resid 68   and name HG2 ))
      6.000     4.500     0.000 peak  5152 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.459 ppm2      2.416 CV     1
 OR { 5152}
   (  segid "    " and resid 65   and name HB% )
   (( segid "    " and resid 68   and name HG1 ))
 ASSI { 5155}
   (  segid "    " and resid 65   and name HB% )
   (( segid "    " and resid 67   and name HG1 ))
      6.000     4.500     0.000 peak  5155 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.453 ppm2      2.018 CV     1
 ASSI { 5170}
   (  segid "    " and resid 20   and name HB% )
   (( segid "    " and resid 17   and name HA  ))
      6.000     4.500     0.000 peak  5170 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.453 ppm2      4.002 CV     1
 ASSI { 5174}
   (  segid "    " and resid 28   and name HG2%)
   (( segid "    " and resid 69   and name HA  ))
      6.000     4.500     0.000 peak  5174 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.604 ppm2      4.202 CV     1
 ASSI { 5179}
   (  segid "    " and resid 28   and name HG2%)
   (( segid "    " and resid 29   and name HD1 ))
      6.000     4.500     0.000 peak  5179 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.604 ppm2      2.754 CV     1
 ASSI { 5181}
   (  segid "    " and resid 28   and name HG2%)
   (( segid "    " and resid 64   and name HB2 ))
      6.000     4.500     0.000 peak  5181 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.604 ppm2      1.741 CV     1
 ASSI { 5187}
   (  segid "    " and resid 28   and name HD1%)
   (( segid "    " and resid 72   and name HB2 ))
      6.000     4.500     0.000 peak  5187 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.820 ppm2      3.451 CV     1
 ASSI { 5199}
   (  segid "    " and resid 131  and name HD1%)
   (( segid "    " and resid 37   and name HB1 ))
      6.000     4.500     0.000 peak  5199 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.886 ppm2      4.107 CV     1
 ASSI { 5203}
   (  segid "    " and resid 131  and name HD1%)
   (( segid "    " and resid 128  and name HG  ))
      6.000     4.500     0.000 peak  5203 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.886 ppm2      0.305 CV     1
 ASSI { 5204}
   (  segid "    " and resid 131  and name HD1%)
   (( segid "    " and resid 128  and name HA  ))
      6.000     4.500     0.000 peak  5204 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.878 ppm2      3.868 CV     1
 ASSI { 5205}
   (  segid "    " and resid 131  and name HD1%)
   (( segid "    " and resid 131  and name HB  ))
      6.000     4.500     0.000 peak  5205 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.882 ppm2      2.147 CV     1
 ASSI { 5206}
   (  segid "    " and resid 131  and name HD1%)
   (( segid "    " and resid 131  and name HG12))
      6.000     4.500     0.000 peak  5206 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.880 ppm2      1.658 CV     1
 OR { 5206}
   (  segid "    " and resid 131  and name HD1%)
   (( segid "    " and resid 131  and name HG11))
 ASSI { 5208}
   (  segid "    " and resid 28   and name HD1%)
   (( segid "    " and resid 25   and name HA  ))
      6.000     4.500     0.000 peak  5208 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.815 ppm2      3.891 CV     1
 ASSI { 5210}
   (  segid "    " and resid 146  and name HD1%)
   (( segid "    " and resid 119  and name HA  ))
      6.000     4.500     0.000 peak  5210 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.475 ppm2      3.818 CV     1
 ASSI { 5223}
   (  segid "    " and resid 106  and name HD1%)
   (( segid "    " and resid 66   and name HD2 ))
      6.000     4.500     0.000 peak  5223 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.641 ppm2      3.633 CV     1
 ASSI { 5227}
   (  segid "    " and resid 106  and name HD1%)
   (( segid "    " and resid 66   and name HG2 ))
      6.000     4.500     0.000 peak  5227 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.642 ppm2      1.745 CV     1
 ASSI { 5230}
   (  segid "    " and resid 33   and name HD1%)
   (( segid "    " and resid 25   and name HB2 ))
      6.000     4.500     0.000 peak  5230 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.913 ppm2      2.125 CV     1
 ASSI { 5233}
   (  segid "    " and resid 33   and name HD1%)
   (( segid "    " and resid 33   and name HG11))
      6.000     4.500     0.000 peak  5233 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.911 ppm2      1.596 CV     1
 OR { 5233}
   (  segid "    " and resid 33   and name HD1%)
   (( segid "    " and resid 33   and name HG12))
 ASSI { 5236}
   (  segid "    " and resid 98   and name HG2%)
   (( segid "    " and resid 101  and name HB2 ))
      6.000     4.500     0.000 peak  5236 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.813 ppm2      3.347 CV     1
 ASSI { 5239}
   (( segid "    " and resid 94   and name HB1 ))
   (( segid "    " and resid 77   and name HA  ))
      6.000     4.500     0.000 peak  5239 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.529 ppm2      3.777 CV     1
 OR { 5239}
   (( segid "    " and resid 94   and name HB2 ))
   (( segid "    " and resid 77   and name HA  ))
 ASSI { 5241}
   (( segid "    " and resid 105  and name HB  ))
   (  segid "    " and resid 105  and name HG2%)
      6.000     4.500     0.000 peak  5241 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.018 ppm2      1.038 CV     1
 OR { 5241}
   (( segid "    " and resid 105  and name HB  ))
   (  segid "    " and resid 105  and name HG1%)
 ASSI {    4}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 2    and name HN  ))
      4.100     2.100     1.900 peak     4 spectrum    1 weight  0.10000E+01 volume  0.35013E-02 ppm1      9.236 ppm2      8.789 CV     1
 OR {    4}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 61   and name HN  ))
 ASSI {    8}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 2    and name HB  ))
      3.700     1.700     1.700 peak     8 spectrum    1 weight  0.10000E+01 volume  0.91862E-02 ppm1      9.235 ppm2      1.775 CV     1
 OR {    8}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 61   and name HB2 ))
 ASSI {   10}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 60   and name HB2 ))
      4.400     2.400     1.600 peak    10 spectrum    1 weight  0.10000E+01 volume  0.52521E-02 ppm1      9.234 ppm2      1.053 CV     1
 OR {   10}
   (( segid "    " and resid 3    and name HN  ))
   (  segid "    " and resid 132  and name HB% )
 ASSI {   11}
   (( segid "    " and resid 3    and name HN  ))
   (  segid "    " and resid 2    and name HG1%)
      2.900     2.900     3.100 peak    11 spectrum    1 weight  0.10000E+01 volume  0.16353E-01 ppm1      9.235 ppm2      0.778 CV     1
 OR {   11}
   (( segid "    " and resid 3    and name HN  ))
   (  segid "    " and resid 60   and name HD1%)
 ASSI {   12}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 1    and name HG21))
      4.900     3.100     1.100 peak    12 spectrum    1 weight  0.10000E+01 volume  0.31753E-02 ppm1      9.233 ppm2      0.573 CV     1
 OR {   12}
   (( segid "    " and resid 3    and name HN  ))
   (  segid "    " and resid 128  and name HD1%)
 OR {   12}
   (( segid "    " and resid 3    and name HN  ))
   (  segid "    " and resid 128  and name HD2%)
 ASSI {   14}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 96   and name HB2 ))
      4.200     2.200     1.800 peak    14 spectrum    1 weight  0.10000E+01 volume  0.33677E-02 ppm1     10.003 ppm2      2.153 CV     1
 OR {   14}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 99   and name HB2 ))
 ASSI {   19}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 97   and name HN  ))
      3.200     1.300     1.300 peak    19 spectrum    1 weight  0.10000E+01 volume  0.45095E-02 ppm1      9.995 ppm2      8.992 CV     1
 OR {   19}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 7    and name HN  ))
 ASSI {   24}
   (( segid "    " and resid 6    and name HN  ))
   (  segid "    " and resid 6    and name HB% )
      2.800     1.000     1.000 peak    24 spectrum    1 weight  0.10000E+01 volume  0.12329E-01 ppm1      9.997 ppm2      1.768 CV     1
 OR {   24}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 5    and name HB  ))
 ASSI {   25}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 7    and name HG11))
      3.800     1.800     1.800 peak    25 spectrum    1 weight  0.10000E+01 volume  0.90722E-02 ppm1      9.997 ppm2      1.574 CV     1
 OR {   25}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 5    and name HG12))
 OR {   25}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 5    and name HG11))
 ASSI {   27}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 96   and name HB1 ))
      4.600     2.600     1.400 peak    27 spectrum    1 weight  0.10000E+01 volume  0.47297E-02 ppm1      9.998 ppm2      0.998 CV     1
 OR {   27}
   (( segid "    " and resid 6    and name HN  ))
   (  segid "    " and resid 58   and name HG2%)
 OR {   27}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 98   and name HG12))
 ASSI {   50}
   (( segid "    " and resid 106  and name HN  ))
   (( segid "    " and resid 105  and name HB  ))
      4.500     2.500     1.500 peak    50 spectrum    1 weight  0.10000E+01 volume  0.34003E-02 ppm1      9.389 ppm2      2.012 CV     1
 OR {   50}
   (( segid "    " and resid 106  and name HN  ))
   (( segid "    " and resid 114  and name HG2 ))
 ASSI {   59}
   (( segid "    " and resid 106  and name HN  ))
   (( segid "    " and resid 106  and name HA  ))
      3.200     1.300     1.300 peak    59 spectrum    1 weight  0.10000E+01 volume  0.68960E-02 ppm1      9.386 ppm2      4.306 CV     1
 OR {   59}
   (( segid "    " and resid 106  and name HN  ))
   (( segid "    " and resid 104  and name HA  ))
 OR {   59}
   (( segid "    " and resid 106  and name HN  ))
   (( segid "    " and resid 113  and name HA  ))
 ASSI {   67}
   (( segid "    " and resid 132  and name HN  ))
   (( segid "    " and resid 128  and name HA  ))
      3.500     1.500     1.500 peak    67 spectrum    1 weight  0.10000E+01 volume  0.71260E-02 ppm1      8.302 ppm2      3.854 CV     1
 OR {   67}
   (( segid "    " and resid 132  and name HN  ))
   (( segid "    " and resid 129  and name HA  ))
 ASSI {   68}
   (( segid "    " and resid 132  and name HN  ))
   (( segid "    " and resid 130  and name HB1 ))
      2.900     2.900     3.100 peak    68 spectrum    1 weight  0.10000E+01 volume  0.16073E-02 ppm1      8.300 ppm2      2.654 CV     1
 OR {   68}
   (( segid "    " and resid 132  and name HN  ))
   (( segid "    " and resid 4    and name HB1 ))
 OR {   68}
   (( segid "    " and resid 132  and name HN  ))
   (( segid "    " and resid 142  and name HG1 ))
 ASSI {   88}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 61   and name HB1 ))
      2.400     0.700     0.700 peak    88 spectrum    1 weight  0.10000E+01 volume  0.21527E-01 ppm1      8.795 ppm2      1.327 CV     1
 OR {   88}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 60   and name HG  ))
 ASSI {   94}
   (( segid "    " and resid 132  and name HN  ))
   (( segid "    " and resid 131  and name HB  ))
      3.600     1.600     1.600 peak    94 spectrum    1 weight  0.10000E+01 volume  0.66021E-02 ppm1      8.300 ppm2      2.142 CV     1
 OR {   94}
   (( segid "    " and resid 132  and name HN  ))
   (( segid "    " and resid 134  and name HG2 ))
 ASSI {   96}
   (( segid "    " and resid 132  and name HN  ))
   (  segid "    " and resid 59   and name HB% )
      3.800     1.800     1.800 peak    96 spectrum    1 weight  0.10000E+01 volume  0.66009E-02 ppm1      8.299 ppm2      1.254 CV     1
 OR {   96}
   (( segid "    " and resid 132  and name HN  ))
   (( segid "    " and resid 128  and name HB1 ))
 ASSI {  102}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 60   and name HA  ))
      2.000     0.500     0.500 peak   102 spectrum    1 weight  0.10000E+01 volume  0.29906E-01 ppm1      8.793 ppm2      4.762 CV     1
 OR {  102}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 61   and name HA  ))
 ASSI {  124}
   (( segid "    " and resid 158  and name HN  ))
   (( segid "    " and resid 157  and name HG2 ))
      4.200     2.200     1.800 peak   124 spectrum    1 weight  0.10000E+01 volume  0.56852E-02 ppm1      8.663 ppm2      1.301 CV     1
 OR {  124}
   (( segid "    " and resid 158  and name HN  ))
   (( segid "    " and resid 41   and name HG1 ))
 ASSI {  133}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 59   and name HA  ))
      2.500     0.800     0.800 peak   133 spectrum    1 weight  0.10000E+01 volume  0.16220E-01 ppm1      8.535 ppm2      4.831 CV     1
 OR {  133}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 36   and name HA  ))
 ASSI {  148}
   (( segid "    " and resid 99   and name HN  ))
   (( segid "    " and resid 5    and name HA  ))
      2.900     1.000     1.000 peak   148 spectrum    1 weight  0.10000E+01 volume  0.77402E-02 ppm1      9.589 ppm2      4.874 CV     1
 OR {  148}
   (( segid "    " and resid 99   and name HN  ))
   (( segid "    " and resid 100  and name HA  ))
 ASSI {  151}
   (( segid "    " and resid 99   and name HN  ))
   (( segid "    " and resid 99   and name HG1 ))
      4.000     2.000     2.000 peak   151 spectrum    1 weight  0.10000E+01 volume  0.51780E-02 ppm1      9.593 ppm2      2.701 CV     1
 OR {  151}
   (( segid "    " and resid 99   and name HN  ))
   (( segid "    " and resid 4    and name HB1 ))
 ASSI {  154}
   (( segid "    " and resid 99   and name HN  ))
   (( segid "    " and resid 100  and name HB1 ))
      3.900     1.900     1.900 peak   154 spectrum    1 weight  0.10000E+01 volume  0.81046E-02 ppm1      9.593 ppm2      1.806 CV     1
 OR {  154}
   (( segid "    " and resid 99   and name HN  ))
   (  segid "    " and resid 6    and name HB% )
 ASSI {  156}
   (( segid "    " and resid 99   and name HN  ))
   (  segid "    " and resid 5    and name HG2%)
      4.100     2.100     1.900 peak   156 spectrum    1 weight  0.10000E+01 volume  0.50124E-02 ppm1      9.590 ppm2      0.864 CV     1
 OR {  156}
   (( segid "    " and resid 99   and name HN  ))
   (  segid "    " and resid 131  and name HD1%)
 OR {  156}
   (( segid "    " and resid 99   and name HN  ))
   (  segid "    " and resid 113  and name HG1%)
 ASSI {  174}
   (( segid "    " and resid 34   and name HN  ))
   (  segid "    " and resid 59   and name HB% )
      3.500     1.500     1.500 peak   174 spectrum    1 weight  0.10000E+01 volume  0.78333E-02 ppm1      9.172 ppm2      1.260 CV     1
 OR {  174}
   (( segid "    " and resid 34   and name HN  ))
   (  segid "    " and resid 35   and name HG2%)
 ASSI {  175}
   (( segid "    " and resid 34   and name HN  ))
   (  segid "    " and resid 58   and name HG2%)
      4.200     2.200     1.800 peak   175 spectrum    1 weight  0.10000E+01 volume  0.56248E-02 ppm1      9.171 ppm2      1.003 CV     1
 OR {  175}
   (( segid "    " and resid 34   and name HN  ))
   (  segid "    " and resid 58   and name HG1%)
 OR {  175}
   (( segid "    " and resid 34   and name HN  ))
   (  segid "    " and resid 132  and name HB% )
 ASSI {  176}
   (( segid "    " and resid 34   and name HN  ))
   (  segid "    " and resid 33   and name HG2%)
      3.000     1.100     1.100 peak   176 spectrum    1 weight  0.10000E+01 volume  0.17392E-01 ppm1      9.171 ppm2      0.802 CV     1
 OR {  176}
   (( segid "    " and resid 34   and name HN  ))
   (  segid "    " and resid 34   and name HD2%)
 OR {  176}
   (( segid "    " and resid 34   and name HN  ))
   (  segid "    " and resid 34   and name HD1%)
 ASSI {  194}
   (( segid "    " and resid 99   and name HN  ))
   (( segid "    " and resid 5    and name HG12))
      4.800     2.900     1.200 peak   194 spectrum    1 weight  0.10000E+01 volume  0.68753E-03 ppm1      9.590 ppm2      1.598 CV     1
 OR {  194}
   (( segid "    " and resid 99   and name HN  ))
   (( segid "    " and resid 100  and name HG  ))
 ASSI {  198}
   (( segid "    " and resid 60   and name HN  ))
   (  segid "    " and resid 3    and name HB% )
      3.000     1.100     1.100 peak   198 spectrum    1 weight  0.10000E+01 volume  0.16644E-01 ppm1      9.325 ppm2      1.249 CV     1
 OR {  198}
   (( segid "    " and resid 60   and name HN  ))
   (  segid "    " and resid 59   and name HB% )
 ASSI {  199}
   (( segid "    " and resid 60   and name HN  ))
   (  segid "    " and resid 58   and name HG2%)
      3.200     3.200     2.800 peak   199 spectrum    1 weight  0.10000E+01 volume  0.16062E-01 ppm1      9.325 ppm2      1.009 CV     1
 OR {  199}
   (( segid "    " and resid 60   and name HN  ))
   (  segid "    " and resid 58   and name HG1%)
 OR {  199}
   (( segid "    " and resid 60   and name HN  ))
   (  segid "    " and resid 132  and name HB% )
 OR {  199}
   (( segid "    " and resid 60   and name HN  ))
   (  segid "    " and resid 69   and name HD1%)
 ASSI {  200}
   (( segid "    " and resid 60   and name HN  ))
   (  segid "    " and resid 2    and name HG1%)
      3.100     3.100     2.900 peak   200 spectrum    1 weight  0.10000E+01 volume  0.20491E-01 ppm1      9.328 ppm2      0.792 CV     1
 OR {  200}
   (( segid "    " and resid 60   and name HN  ))
   (  segid "    " and resid 33   and name HG2%)
 ASSI {  204}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 61   and name HN  ))
      4.200     2.200     1.800 peak   204 spectrum    1 weight  0.10000E+01 volume  0.32230E-02 ppm1      9.329 ppm2      8.792 CV     1
 OR {  204}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 2    and name HN  ))
 ASSI {  223}
   (( segid "    " and resid 107  and name HN  ))
   (( segid "    " and resid 106  and name HN  ))
      4.400     2.400     1.600 peak   223 spectrum    1 weight  0.10000E+01 volume  0.31572E-02 ppm1      9.215 ppm2      9.390 CV     1
 OR {  223}
   (( segid "    " and resid 107  and name HN  ))
   (( segid "    " and resid 113  and name HN  ))
 ASSI {  236}
   (( segid "    " and resid 143  and name HN  ))
   (( segid "    " and resid 129  and name HA  ))
      4.000     2.000     2.000 peak   236 spectrum    1 weight  0.10000E+01 volume  0.59466E-02 ppm1      8.438 ppm2      3.844 CV     1
 OR {  236}
   (( segid "    " and resid 143  and name HN  ))
   (( segid "    " and resid 125  and name HA  ))
 ASSI {  243}
   (( segid "    " and resid 143  and name HN  ))
   (( segid "    " and resid 146  and name HG11))
      3.200     1.300     1.300 peak   243 spectrum    1 weight  0.10000E+01 volume  0.18200E-01 ppm1      8.447 ppm2      0.995 CV     1
 OR {  243}
   (( segid "    " and resid 143  and name HN  ))
   (( segid "    " and resid 143  and name HG  ))
 ASSI {  255}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 84   and name HN  ))
      5.400     3.700     0.600 peak   255 spectrum    1 weight  0.10000E+01 volume  0.80036E-03 ppm1      8.233 ppm2      8.779 CV     1
 OR {  255}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 93   and name HN  ))
 ASSI {  260}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 92   and name HD2 ))
      3.800     1.800     1.800 peak   260 spectrum    1 weight  0.10000E+01 volume  0.30205E-02 ppm1      8.229 ppm2      3.355 CV     1
 OR {  260}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 82   and name HD2 ))
 ASSI {  262}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 82   and name HG2 ))
      3.900     1.900     1.900 peak   262 spectrum    1 weight  0.10000E+01 volume  0.55540E-02 ppm1      8.234 ppm2      1.801 CV     1
 OR {  262}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 92   and name HG1 ))
 ASSI {  264}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 82   and name HG1 ))
      2.900     1.100     1.100 peak   264 spectrum    1 weight  0.10000E+01 volume  0.81353E-02 ppm1      8.232 ppm2      1.396 CV     1
 OR {  264}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 92   and name HG2 ))
 ASSI {  267}
   (( segid "    " and resid 107  and name HN  ))
   (( segid "    " and resid 108  and name HN  ))
      3.900     1.900     1.900 peak   267 spectrum    1 weight  0.10000E+01 volume  0.81903E-02 ppm1      9.216 ppm2      8.981 CV     1
 OR {  267}
   (( segid "    " and resid 95   and name HN  ))
   (( segid "    " and resid 7    and name HN  ))
 ASSI {  272}
   (( segid "    " and resid 107  and name HN  ))
   (( segid "    " and resid 106  and name HB  ))
      3.000     1.100     1.100 peak   272 spectrum    1 weight  0.10000E+01 volume  0.21301E-01 ppm1      9.212 ppm2      1.449 CV     1
 OR {  272}
   (( segid "    " and resid 95   and name HN  ))
   (( segid "    " and resid 94   and name HG  ))
 ASSI {  273}
   (( segid "    " and resid 107  and name HN  ))
   (  segid "    " and resid 105  and name HG1%)
      3.700     3.700     2.300 peak   273 spectrum    1 weight  0.10000E+01 volume  0.85692E-02 ppm1      9.214 ppm2      1.047 CV     1
 OR {  273}
   (( segid "    " and resid 107  and name HN  ))
   (( segid "    " and resid 111  and name HG  ))
 OR {  273}
   (( segid "    " and resid 107  and name HN  ))
   (  segid "    " and resid 105  and name HG2%)
 ASSI {  279}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 83   and name HA  ))
      2.400     0.700     0.700 peak   279 spectrum    1 weight  0.10000E+01 volume  0.22337E-01 ppm1      8.801 ppm2      4.262 CV     1
 OR {  279}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 84   and name HA  ))
 ASSI {  289}
   (( segid "    " and resid 101  and name HN  ))
   (( segid "    " and resid 114  and name HG2 ))
      3.900     1.900     1.900 peak   289 spectrum    1 weight  0.10000E+01 volume  0.70355E-02 ppm1      9.851 ppm2      1.985 CV     1
 OR {  289}
   (( segid "    " and resid 101  and name HN  ))
   (( segid "    " and resid 100  and name HB2 ))
 ASSI {  315}
   (( segid "    " and resid 88   and name HN  ))
   (( segid "    " and resid 47   and name HG1 ))
      3.400     1.400     1.400 peak   315 spectrum    1 weight  0.10000E+01 volume  0.70704E-02 ppm1      8.649 ppm2      1.997 CV     1
 OR {  315}
   (( segid "    " and resid 88   and name HN  ))
   (( segid "    " and resid 87   and name HB1 ))
 OR {  315}
   (( segid "    " and resid 88   and name HN  ))
   (( segid "    " and resid 87   and name HB2 ))
 ASSI {  336}
   (( segid "    " and resid 112  and name HN  ))
   (( segid "    " and resid 70   and name HB1 ))
      3.700     1.700     1.700 peak   336 spectrum    1 weight  0.10000E+01 volume  0.40139E-02 ppm1      9.759 ppm2      1.034 CV     1
 OR {  336}
   (( segid "    " and resid 112  and name HN  ))
   (( segid "    " and resid 111  and name HG  ))
 ASSI {  345}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 100  and name HB2 ))
      4.700     2.800     1.300 peak   345 spectrum    1 weight  0.10000E+01 volume  0.46071E-02 ppm1      9.495 ppm2      2.027 CV     1
 OR {  345}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 128  and name HB2 ))
 ASSI {  349}
   (( segid "    " and resid 5    and name HN  ))
   (  segid "    " and resid 58   and name HG2%)
      3.300     1.300     1.300 peak   349 spectrum    1 weight  0.10000E+01 volume  0.11828E-01 ppm1      9.496 ppm2      1.003 CV     1
 OR {  349}
   (( segid "    " and resid 5    and name HN  ))
   (  segid "    " and resid 58   and name HG1%)
 OR {  349}
   (( segid "    " and resid 5    and name HN  ))
   (  segid "    " and resid 69   and name HD1%)
 OR {  349}
   (( segid "    " and resid 5    and name HN  ))
   (  segid "    " and resid 132  and name HB% )
 ASSI {  350}
   (( segid "    " and resid 5    and name HN  ))
   (  segid "    " and resid 5    and name HG2%)
      3.600     1.600     1.600 peak   350 spectrum    1 weight  0.10000E+01 volume  0.15915E-01 ppm1      9.496 ppm2      0.850 CV     1
 OR {  350}
   (( segid "    " and resid 5    and name HN  ))
   (  segid "    " and resid 131  and name HG2%)
 ASSI {  358}
   (( segid "    " and resid 116  and name HN  ))
   (( segid "    " and resid 112  and name HB  ))
      3.300     3.300     2.700 peak   358 spectrum    1 weight  0.10000E+01 volume  0.79180E-03 ppm1      8.415 ppm2      4.351 CV     1
 OR {  358}
   (( segid "    " and resid 116  and name HN  ))
   (( segid "    " and resid 113  and name HA  ))
 ASSI {  364}
   (( segid "    " and resid 137  and name HN  ))
   (( segid "    " and resid 142  and name HB2 ))
      5.700     4.100     0.300 peak   364 spectrum    1 weight  0.10000E+01 volume  0.13877E-02 ppm1      9.234 ppm2      2.244 CV     1
 OR {  364}
   (( segid "    " and resid 137  and name HN  ))
   (( segid "    " and resid 143  and name HB2 ))
 ASSI {  386}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 158  and name HB2 ))
      3.700     1.700     1.700 peak   386 spectrum    1 weight  0.10000E+01 volume  0.74697E-02 ppm1      8.829 ppm2      3.051 CV     1
 OR {  386}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 40   and name HB2 ))
 ASSI {  404}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 11   and name HB2 ))
      4.600     2.600     1.400 peak   404 spectrum    1 weight  0.10000E+01 volume  0.30461E-02 ppm1      8.461 ppm2      1.234 CV     1
 OR {  404}
   (( segid "    " and resid 10   and name HN  ))
   (  segid "    " and resid 93   and name HG2%)
 OR {  404}
   (( segid "    " and resid 10   and name HN  ))
   (  segid "    " and resid 12   and name HB% )
 ASSI {  414}
   (( segid "    " and resid 33   and name HN  ))
   (  segid "    " and resid 60   and name HD1%)
      2.500     0.800     0.800 peak   414 spectrum    1 weight  0.10000E+01 volume  0.31213E-01 ppm1      9.240 ppm2      0.767 CV     1
 OR {  414}
   (( segid "    " and resid 33   and name HN  ))
   (  segid "    " and resid 33   and name HG2%)
 ASSI {  429}
   (( segid "    " and resid 115  and name HN  ))
   (( segid "    " and resid 114  and name HB1 ))
      4.200     2.200     1.800 peak   429 spectrum    1 weight  0.10000E+01 volume  0.55837E-02 ppm1      8.653 ppm2      2.141 CV     1
 OR {  429}
   (( segid "    " and resid 115  and name HN  ))
   (( segid "    " and resid 99   and name HB2 ))
 ASSI {  437}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 20   and name HN  ))
      2.400     0.700     0.700 peak   437 spectrum    1 weight  0.10000E+01 volume  0.19833E-01 ppm1      8.480 ppm2      8.138 CV     1
 OR {  437}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 19   and name HN  ))
 ASSI {  438}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 80   and name HE21))
      3.200     1.300     1.300 peak   438 spectrum    1 weight  0.10000E+01 volume  0.77225E-02 ppm1      8.477 ppm2      7.903 CV     1
 OR {  438}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 24   and name HN  ))
 ASSI {  439}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 23   and name HN  ))
      3.200     1.300     1.300 peak   439 spectrum    1 weight  0.10000E+01 volume  0.92992E-02 ppm1      8.480 ppm2      7.436 CV     1
 OR {  439}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 80   and name HE22))
 ASSI {  441}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 9    and name HA  ))
      2.300     0.600     0.600 peak   441 spectrum    1 weight  0.10000E+01 volume  0.25843E-01 ppm1      8.477 ppm2      4.136 CV     1
 OR {  441}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 21   and name HA  ))
 ASSI {  445}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 94   and name HB2 ))
      2.600     2.600     3.400 peak   445 spectrum    1 weight  0.10000E+01 volume  0.54503E-01 ppm1      8.480 ppm2      1.534 CV     1
 OR {  445}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 23   and name HG2 ))
 OR {  445}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 94   and name HB1 ))
 ASSI {  446}
   (( segid "    " and resid 21   and name HN  ))
   (  segid "    " and resid 76   and name HG2%)
      3.600     1.600     1.600 peak   446 spectrum    1 weight  0.10000E+01 volume  0.16719E-01 ppm1      8.479 ppm2      0.832 CV     1
 OR {  446}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 11   and name HG  ))
 ASSI {  447}
   (( segid "    " and resid 10   and name HN  ))
   (  segid "    " and resid 18   and name HG2%)
      3.900     1.900     1.900 peak   447 spectrum    1 weight  0.10000E+01 volume  0.21574E-02 ppm1      8.479 ppm2      0.229 CV     1
 OR {  447}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 54   and name HG  ))
 ASSI {  448}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 17   and name HA  ))
      3.600     1.600     1.600 peak   448 spectrum    1 weight  0.10000E+01 volume  0.78843E-02 ppm1      8.475 ppm2      3.986 CV     1
 OR {  448}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 22   and name HA  ))
 ASSI {  450}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 91   and name HG2 ))
      3.600     1.700     1.700 peak   450 spectrum    1 weight  0.10000E+01 volume  0.12032E-01 ppm1      8.471 ppm2      2.094 CV     1
 OR {  450}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 22   and name HB1 ))
 OR {  450}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 91   and name HG1 ))
 OR {  450}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 76   and name HG12))
 OR {  450}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 76   and name HG11))
 ASSI {  451}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 10   and name HB2 ))
      3.500     1.500     1.500 peak   451 spectrum    1 weight  0.10000E+01 volume  0.61318E-02 ppm1      8.471 ppm2      0.652 CV     1
 OR {  451}
   (( segid "    " and resid 21   and name HN  ))
   (  segid "    " and resid 18   and name HG1%)
 ASSI {  454}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 94   and name HA  ))
      5.600     4.000     0.400 peak   454 spectrum    1 weight  0.10000E+01 volume  0.74727E-03 ppm1      8.463 ppm2      4.832 CV     1
 OR {  454}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 94   and name HA  ))
 ASSI {  484}
   (( segid "    " and resid 28   and name HN  ))
   (  segid "    " and resid 60   and name HD1%)
      2.900     2.900     3.100 peak   484 spectrum    1 weight  0.10000E+01 volume  0.36643E-01 ppm1      7.160 ppm2      0.773 CV     1
 OR {  484}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 64   and name HG  ))
 ASSI {  493}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 64   and name HA  ))
      2.700     0.900     0.900 peak   493 spectrum    1 weight  0.10000E+01 volume  0.96745E-02 ppm1      8.544 ppm2      4.224 CV     1
 OR {  493}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 69   and name HA  ))
 ASSI {  498}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 30   and name HB1 ))
      3.600     1.600     1.600 peak   498 spectrum    1 weight  0.10000E+01 volume  0.34104E-02 ppm1      8.543 ppm2      2.415 CV     1
 OR {  498}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 29   and name HB2 ))
 ASSI {  508}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 80   and name HE21))
      3.800     1.900     1.900 peak   508 spectrum    1 weight  0.10000E+01 volume  0.35713E-02 ppm1      8.145 ppm2      7.892 CV     1
 OR {  508}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 24   and name HN  ))
 ASSI {  513}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 20   and name HA  ))
      2.600     0.900     0.900 peak   513 spectrum    1 weight  0.10000E+01 volume  0.27375E-01 ppm1      8.146 ppm2      4.144 CV     1
 OR {  513}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 16   and name HA  ))
 ASSI {  514}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 17   and name HA  ))
      3.700     1.700     1.700 peak   514 spectrum    1 weight  0.10000E+01 volume  0.51334E-02 ppm1      8.145 ppm2      4.002 CV     1
 OR {  514}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 23   and name HA  ))
 ASSI {  523}
   (( segid "    " and resid 20   and name HN  ))
   (  segid "    " and resid 22   and name HD1%)
      4.400     2.400     1.600 peak   523 spectrum    1 weight  0.10000E+01 volume  0.42369E-02 ppm1      8.144 ppm2      1.146 CV     1
 OR {  523}
   (( segid "    " and resid 20   and name HN  ))
   (  segid "    " and resid 96   and name HD2%)
 ASSI {  529}
   (( segid "    " and resid 86   and name HN  ))
   (( segid "    " and resid 85   and name HN  ))
      3.500     1.500     1.500 peak   529 spectrum    1 weight  0.10000E+01 volume  0.99860E-02 ppm1      7.741 ppm2      8.335 CV     1
 OR {  529}
   (( segid "    " and resid 86   and name HN  ))
   (( segid "    " and resid 87   and name HN  ))
 ASSI {  536}
   (( segid "    " and resid 86   and name HN  ))
   (  segid "    " and resid 86   and name HB% )
      2.600     0.900     0.900 peak   536 spectrum    1 weight  0.10000E+01 volume  0.32335E-01 ppm1      7.742 ppm2      1.439 CV     1
 OR {  536}
   (( segid "    " and resid 86   and name HN  ))
   (( segid "    " and resid 85   and name HG1 ))
 ASSI {  547}
   (( segid "    " and resid 142  and name HN  ))
   (( segid "    " and resid 141  and name HB1 ))
      3.000     1.100     1.100 peak   547 spectrum    1 weight  0.10000E+01 volume  0.14640E-01 ppm1      9.273 ppm2      1.796 CV     1
 OR {  547}
   (( segid "    " and resid 142  and name HN  ))
   (( segid "    " and resid 144  and name HB1 ))
 OR {  547}
   (( segid "    " and resid 142  and name HN  ))
   (( segid "    " and resid 146  and name HB  ))
 ASSI {  549}
   (( segid "    " and resid 142  and name HN  ))
   (  segid "    " and resid 142  and name HE% )
      4.000     2.000     2.000 peak   549 spectrum    1 weight  0.10000E+01 volume  0.48460E-02 ppm1      9.274 ppm2      1.034 CV     1
 OR {  549}
   (( segid "    " and resid 142  and name HN  ))
   (  segid "    " and resid 136  and name HG2%)
 OR {  549}
   (( segid "    " and resid 142  and name HN  ))
   (  segid "    " and resid 136  and name HG1%)
 ASSI {  550}
   (( segid "    " and resid 142  and name HN  ))
   (  segid "    " and resid 146  and name HD1%)
      6.000     5.200     0.000 peak   550 spectrum    1 weight  0.10000E+01 volume  0.61331E-03 ppm1      9.272 ppm2      0.461 CV     1
 OR {  550}
   (( segid "    " and resid 142  and name HN  ))
   (  segid "    " and resid 125  and name HD2%)
 ASSI {  565}
   (( segid "    " and resid 117  and name HN  ))
   (( segid "    " and resid 115  and name HB1 ))
      3.700     1.800     1.800 peak   565 spectrum    1 weight  0.10000E+01 volume  0.47676E-02 ppm1      8.008 ppm2      3.020 CV     1
 OR {  565}
   (( segid "    " and resid 117  and name HN  ))
   (( segid "    " and resid 120  and name HB1 ))
 ASSI {  570}
   (( segid "    " and resid 117  and name HN  ))
   (( segid "    " and resid 117  and name HB2 ))
      3.900     1.900     1.900 peak   570 spectrum    1 weight  0.10000E+01 volume  0.39173E-02 ppm1      8.006 ppm2      1.517 CV     1
 OR {  570}
   (( segid "    " and resid 117  and name HN  ))
   (( segid "    " and resid 119  and name HB1 ))
 ASSI {  587}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 40   and name HA  ))
      4.300     2.300     1.700 peak   587 spectrum    1 weight  0.10000E+01 volume  0.30846E-02 ppm1      9.409 ppm2      5.245 CV     1
 OR {  587}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 39   and name HA  ))
 ASSI {  591}
   (( segid "    " and resid 55   and name HN  ))
   (  segid "    " and resid 56   and name HB% )
      3.900     1.900     1.900 peak   591 spectrum    1 weight  0.10000E+01 volume  0.64152E-02 ppm1      9.406 ppm2      1.430 CV     1
 OR {  591}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 155  and name HB1 ))
 OR {  591}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 155  and name HB2 ))
 ASSI {  594}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 54   and name HG  ))
      3.200     1.300     1.300 peak   594 spectrum    1 weight  0.10000E+01 volume  0.10066E-01 ppm1      9.404 ppm2      0.231 CV     1
 OR {  594}
   (( segid "    " and resid 55   and name HN  ))
   (  segid "    " and resid 18   and name HG2%)
 ASSI {  596}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 56   and name HN  ))
      5.000     3.200     1.000 peak   596 spectrum    1 weight  0.10000E+01 volume  0.22230E-02 ppm1      9.400 ppm2      8.898 CV     1
 OR {  596}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 55   and name HD22))
 ASSI {  605}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 36   and name HB  ))
      3.900     1.900     1.900 peak   605 spectrum    1 weight  0.10000E+01 volume  0.63730E-02 ppm1      9.129 ppm2      1.963 CV     1
 OR {  605}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 58   and name HB  ))
 ASSI {  610}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 57   and name HN  ))
      3.800     1.800     1.800 peak   610 spectrum    1 weight  0.10000E+01 volume  0.38546E-02 ppm1      9.127 ppm2      9.504 CV     1
 OR {  610}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 5    and name HN  ))
 ASSI {  620}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 127  and name HG2 ))
      4.700     2.700     1.300 peak   620 spectrum    1 weight  0.10000E+01 volume  0.15956E-02 ppm1      8.975 ppm2      2.065 CV     1
 OR {  620}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 91   and name HG1 ))
 OR {  620}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 22   and name HB1 ))
 OR {  620}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 128  and name HB2 ))
 ASSI {  621}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 7    and name HG11))
      3.700     1.700     1.700 peak   621 spectrum    1 weight  0.10000E+01 volume  0.42350E-02 ppm1      8.982 ppm2      1.569 CV     1
 OR {  621}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 7    and name HG12))
 OR {  621}
   (( segid "    " and resid 7    and name HN  ))
   (  segid "    " and resid 21   and name HB% )
 ASSI {  626}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 64   and name HB2 ))
      4.100     2.100     1.900 peak   626 spectrum    1 weight  0.10000E+01 volume  0.57351E-02 ppm1      8.387 ppm2      1.741 CV     1
 OR {  626}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 66   and name HG2 ))
 ASSI {  630}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 78   and name HA  ))
      2.600     0.800     0.800 peak   630 spectrum    1 weight  0.10000E+01 volume  0.17057E-01 ppm1      8.211 ppm2      4.165 CV     1
 OR {  630}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 81   and name HA2 ))
 ASSI {  634}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 82   and name HG2 ))
      2.800     1.000     1.000 peak   634 spectrum    1 weight  0.10000E+01 volume  0.13235E-01 ppm1      8.213 ppm2      1.793 CV     1
 OR {  634}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 78   and name HB1 ))
 ASSI {  638}
   (( segid "    " and resid 82   and name HN  ))
   (  segid "    " and resid 83   and name HG2%)
      4.300     2.300     1.700 peak   638 spectrum    1 weight  0.10000E+01 volume  0.47712E-02 ppm1      8.212 ppm2      0.981 CV     1
 OR {  638}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 78   and name HG  ))
 OR {  638}
   (( segid "    " and resid 82   and name HN  ))
   (  segid "    " and resid 83   and name HG1%)
 ASSI {  644}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 129  and name HN  ))
      6.000     6.000     0.000 peak   644 spectrum    1 weight  0.10000E+01 volume  0.13936E-03 ppm1      9.502 ppm2      8.672 CV     1
 OR {  644}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 126  and name HN  ))
 ASSI {  662}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 39   and name HN  ))
      3.900     1.900     1.900 peak   662 spectrum    1 weight  0.10000E+01 volume  0.40597E-02 ppm1      9.109 ppm2      8.661 CV     1
 OR {  662}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 158  and name HN  ))
 ASSI {  665}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 39   and name HA  ))
      2.300     0.700     0.700 peak   665 spectrum    1 weight  0.10000E+01 volume  0.16746E-01 ppm1      9.112 ppm2      5.243 CV     1
 OR {  665}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 40   and name HA  ))
 ASSI {  666}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 157  and name HA  ))
      4.600     2.600     1.400 peak   666 spectrum    1 weight  0.10000E+01 volume  0.30108E-02 ppm1      9.109 ppm2      4.487 CV     1
 OR {  666}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 155  and name HA  ))
 ASSI {  668}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 40   and name HB2 ))
      2.800     1.000     1.000 peak   668 spectrum    1 weight  0.10000E+01 volume  0.60593E-02 ppm1      9.110 ppm2      3.053 CV     1
 OR {  668}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 158  and name HB2 ))
 ASSI {  670}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 127  and name HG1 ))
      5.300     3.600     0.700 peak   670 spectrum    1 weight  0.10000E+01 volume  0.10113E-02 ppm1      9.111 ppm2      1.601 CV     1
 OR {  670}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 41   and name HG2 ))
 ASSI {  671}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 54   and name HG  ))
      3.100     1.200     1.200 peak   671 spectrum    1 weight  0.10000E+01 volume  0.68643E-02 ppm1      9.113 ppm2      0.227 CV     1
 OR {  671}
   (( segid "    " and resid 40   and name HN  ))
   (  segid "    " and resid 18   and name HG2%)
 ASSI {  694}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 64   and name HA  ))
      2.200     0.600     0.600 peak   694 spectrum    1 weight  0.10000E+01 volume  0.23151E-01 ppm1      8.387 ppm2      4.228 CV     1
 OR {  694}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 69   and name HA  ))
 ASSI {  698}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 30   and name HB2 ))
      6.000     4.500     0.000 peak   698 spectrum    1 weight  0.10000E+01 volume  0.93069E-03 ppm1      8.388 ppm2      2.015 CV     1
 OR {  698}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 67   and name HG1 ))
 ASSI {  719}
   (( segid "    " and resid 146  and name HN  ))
   (( segid "    " and resid 145  and name HB1 ))
      2.700     0.900     0.900 peak   719 spectrum    1 weight  0.10000E+01 volume  0.17564E-01 ppm1      7.881 ppm2      2.282 CV     1
 OR {  719}
   (( segid "    " and resid 146  and name HN  ))
   (( segid "    " and resid 145  and name HB2 ))
 OR {  719}
   (( segid "    " and resid 146  and name HN  ))
   (( segid "    " and resid 141  and name HG1 ))
 ASSI {  727}
   (( segid "    " and resid 135  and name HN  ))
   (( segid "    " and resid 133  and name HA  ))
      4.500     2.500     1.500 peak   727 spectrum    1 weight  0.10000E+01 volume  0.65427E-03 ppm1      7.217 ppm2      4.104 CV     1
 OR {  727}
   (( segid "    " and resid 135  and name HN  ))
   (( segid "    " and resid 143  and name HA  ))
 ASSI {  728}
   (( segid "    " and resid 135  and name HN  ))
   (( segid "    " and resid 134  and name HG2 ))
      4.100     2.100     1.900 peak   728 spectrum    1 weight  0.10000E+01 volume  0.35763E-02 ppm1      7.219 ppm2      2.137 CV     1
 OR {  728}
   (( segid "    " and resid 135  and name HN  ))
   (( segid "    " and resid 142  and name HB1 ))
 ASSI {  742}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 54   and name HG  ))
      4.600     2.600     1.400 peak   742 spectrum    1 weight  0.10000E+01 volume  0.18921E-02 ppm1      8.556 ppm2      0.252 CV     1
 OR {  742}
   (( segid "    " and resid 54   and name HN  ))
   (  segid "    " and resid 18   and name HG2%)
 ASSI {  758}
   (( segid "    " and resid 63   and name HN  ))
   (  segid "    " and resid 64   and name HD2%)
      4.600     2.700     1.400 peak   758 spectrum    1 weight  0.10000E+01 volume  0.91593E-02 ppm1      8.260 ppm2      0.729 CV     1
 OR {  758}
   (( segid "    " and resid 63   and name HN  ))
   (  segid "    " and resid 60   and name HD2%)
 OR {  758}
   (( segid "    " and resid 63   and name HN  ))
   (  segid "    " and resid 64   and name HD1%)
 ASSI {  774}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 8    and name HA2 ))
      5.500     3.700     0.500 peak   774 spectrum    1 weight  0.10000E+01 volume  0.44512E-03 ppm1      8.553 ppm2      4.187 CV     1
 OR {  774}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 9    and name HA  ))
 ASSI {  777}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 75   and name HA  ))
      3.800     1.800     1.800 peak   777 spectrum    1 weight  0.10000E+01 volume  0.35578E-02 ppm1      8.010 ppm2      4.158 CV     1
 OR {  777}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 21   and name HA  ))
 ASSI {  784}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 75   and name HG2 ))
      3.700     1.700     1.700 peak   784 spectrum    1 weight  0.10000E+01 volume  0.10045E-01 ppm1      8.006 ppm2      1.591 CV     1
 OR {  784}
   (( segid "    " and resid 76   and name HN  ))
   (  segid "    " and resid 24   and name HB% )
 ASSI {  786}
   (( segid "    " and resid 76   and name HN  ))
   (  segid "    " and resid 76   and name HG2%)
      3.000     3.000     3.000 peak   786 spectrum    1 weight  0.10000E+01 volume  0.37830E-01 ppm1      8.005 ppm2      0.814 CV     1
 OR {  786}
   (( segid "    " and resid 76   and name HN  ))
   (  segid "    " and resid 28   and name HD1%)
 ASSI {  788}
   (( segid "    " and resid 25   and name HN  ))
   (  segid "    " and resid 24   and name HB% )
      3.000     1.100     1.100 peak   788 spectrum    1 weight  0.10000E+01 volume  0.13019E-01 ppm1      9.347 ppm2      1.567 CV     1
 OR {  788}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 28   and name HB  ))
 ASSI {  802}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 73   and name HA  ))
      3.300     1.400     1.400 peak   802 spectrum    1 weight  0.10000E+01 volume  0.59305E-02 ppm1      8.923 ppm2      4.302 CV     1
 OR {  802}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 71   and name HA  ))
 ASSI {  807}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 75   and name HB2 ))
      3.600     1.600     1.600 peak   807 spectrum    1 weight  0.10000E+01 volume  0.14181E-01 ppm1      8.919 ppm2      1.905 CV     1
 OR {  807}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 70   and name HB2 ))
 ASSI {  808}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 76   and name HN  ))
      5.100     3.300     0.900 peak   808 spectrum    1 weight  0.10000E+01 volume  0.94579E-03 ppm1      8.918 ppm2      8.003 CV     1
 OR {  808}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 77   and name HN  ))
 ASSI {  811}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 96   and name HG  ))
      5.300     3.500     0.700 peak   811 spectrum    1 weight  0.10000E+01 volume  0.79742E-03 ppm1      8.919 ppm2      1.636 CV     1
 OR {  811}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 110  and name HB2 ))
 ASSI {  819}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 79   and name HA  ))
      2.700     0.900     0.900 peak   819 spectrum    1 weight  0.10000E+01 volume  0.19299E-01 ppm1      8.782 ppm2      4.177 CV     1
 OR {  819}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 78   and name HA  ))
 ASSI {  820}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 80   and name HB2 ))
      6.000     4.800     0.000 peak   820 spectrum    1 weight  0.10000E+01 volume  0.53294E-03 ppm1      8.783 ppm2      2.863 CV     1
 OR {  820}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 77   and name HG2 ))
 ASSI {  821}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 78   and name HB1 ))
      3.200     1.300     1.300 peak   821 spectrum    1 weight  0.10000E+01 volume  0.15694E-01 ppm1      8.781 ppm2      1.791 CV     1
 OR {  821}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 80   and name HB1 ))
 ASSI {  822}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 75   and name HG2 ))
      4.500     2.500     1.500 peak   822 spectrum    1 weight  0.10000E+01 volume  0.26292E-02 ppm1      8.782 ppm2      1.580 CV     1
 OR {  822}
   (( segid "    " and resid 79   and name HN  ))
   (  segid "    " and resid 24   and name HB% )
 ASSI {  847}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 22   and name HN  ))
      5.200     3.300     0.800 peak   847 spectrum    1 weight  0.10000E+01 volume  0.71366E-03 ppm1      9.347 ppm2      8.499 CV     1
 OR {  847}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 21   and name HN  ))
 ASSI {  849}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 25   and name HA  ))
      2.700     0.900     0.900 peak   849 spectrum    1 weight  0.10000E+01 volume  0.16699E-01 ppm1      9.347 ppm2      3.912 CV     1
 OR {  849}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 26   and name HA1 ))
 ASSI {  850}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 25   and name HB1 ))
      3.300     1.400     1.400 peak   850 spectrum    1 weight  0.10000E+01 volume  0.10956E-01 ppm1      9.347 ppm2      2.121 CV     1
 OR {  850}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 76   and name HG12))
 ASSI {  852}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 33   and name HB  ))
      5.900     4.400     0.100 peak   852 spectrum    1 weight  0.10000E+01 volume  0.75029E-03 ppm1      9.343 ppm2      1.775 CV     1
 OR {  852}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 5    and name HB  ))
 ASSI {  854}
   (( segid "    " and resid 25   and name HN  ))
   (  segid "    " and resid 25   and name HD2%)
      3.000     1.100     1.100 peak   854 spectrum    1 weight  0.10000E+01 volume  0.33243E-01 ppm1      9.348 ppm2      0.830 CV     1
 OR {  854}
   (( segid "    " and resid 25   and name HN  ))
   (  segid "    " and resid 25   and name HD1%)
 OR {  854}
   (( segid "    " and resid 25   and name HN  ))
   (  segid "    " and resid 76   and name HG2%)
 ASSI {  861}
   (( segid "    " and resid 79   and name HN  ))
   (  segid "    " and resid 76   and name HG2%)
      4.100     2.100     1.900 peak   861 spectrum    1 weight  0.10000E+01 volume  0.49560E-02 ppm1      8.780 ppm2      0.827 CV     1
 OR {  861}
   (( segid "    " and resid 79   and name HN  ))
   (  segid "    " and resid 25   and name HD2%)
 ASSI {  873}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 22   and name HN  ))
      3.800     1.800     1.800 peak   873 spectrum    1 weight  0.10000E+01 volume  0.53195E-02 ppm1      7.920 ppm2      8.500 CV     1
 OR {  873}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 21   and name HN  ))
 ASSI {  877}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 22   and name HA  ))
      3.200     3.200     2.800 peak   877 spectrum    1 weight  0.10000E+01 volume  0.17196E-01 ppm1      7.919 ppm2      3.986 CV     1
 OR {  877}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 26   and name HA2 ))
 ASSI {  881}
   (( segid "    " and resid 24   and name HN  ))
   (  segid "    " and resid 76   and name HG2%)
      3.300     1.400     1.400 peak   881 spectrum    1 weight  0.10000E+01 volume  0.21769E-01 ppm1      7.920 ppm2      0.829 CV     1
 OR {  881}
   (( segid "    " and resid 24   and name HN  ))
   (  segid "    " and resid 25   and name HD2%)
 OR {  881}
   (( segid "    " and resid 24   and name HN  ))
   (  segid "    " and resid 25   and name HD1%)
 ASSI {  896}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 1    and name HB  ))
      3.600     1.600     1.600 peak   896 spectrum    1 weight  0.10000E+01 volume  0.43122E-02 ppm1      9.232 ppm2      3.574 CV     1
 OR {  896}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 31   and name HB1 ))
 OR {  896}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 31   and name HB2 ))
 ASSI {  900}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 61   and name HN  ))
      3.800     1.800     1.800 peak   900 spectrum    1 weight  0.10000E+01 volume  0.39715E-02 ppm1      9.228 ppm2      8.786 CV     1
 OR {  900}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 2    and name HN  ))
 ASSI {  902}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 61   and name HG1 ))
      4.500     2.500     1.500 peak   902 spectrum    1 weight  0.10000E+01 volume  0.38727E-02 ppm1      9.231 ppm2      2.218 CV     1
 OR {  902}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 69   and name HB2 ))
 ASSI {  903}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 61   and name HB2 ))
      4.000     2.000     2.000 peak   903 spectrum    1 weight  0.10000E+01 volume  0.83613E-02 ppm1      9.231 ppm2      1.771 CV     1
 OR {  903}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 64   and name HB2 ))
 ASSI {  905}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 60   and name HG  ))
      3.200     1.300     1.300 peak   905 spectrum    1 weight  0.10000E+01 volume  0.75388E-02 ppm1      9.230 ppm2      1.322 CV     1
 OR {  905}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 61   and name HB1 ))
 ASSI {  909}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 1    and name HG21))
      5.900     4.300     0.100 peak   909 spectrum    1 weight  0.10000E+01 volume  0.69790E-03 ppm1      9.229 ppm2      0.551 CV     1
 OR {  909}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 66   and name HB1 ))
 ASSI {  918}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 48   and name HG1 ))
      3.700     1.700     1.700 peak   918 spectrum    1 weight  0.10000E+01 volume  0.10678E-01 ppm1      8.890 ppm2      2.465 CV     1
 OR {  918}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 47   and name HB1 ))
 ASSI {  920}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 48   and name HB1 ))
      3.200     1.200     1.200 peak   920 spectrum    1 weight  0.10000E+01 volume  0.15987E-01 ppm1      8.890 ppm2      2.026 CV     1
 OR {  920}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 50   and name HB2 ))
 OR {  920}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 50   and name HB1 ))
 ASSI {  923}
   (( segid "    " and resid 18   and name HN  ))
   (  segid "    " and resid 94   and name HD1%)
      4.700     2.800     1.300 peak   923 spectrum    1 weight  0.10000E+01 volume  0.32513E-02 ppm1      8.731 ppm2      0.894 CV     1
 OR {  923}
   (( segid "    " and resid 18   and name HN  ))
   (  segid "    " and resid 22   and name HD2%)
 OR {  923}
   (( segid "    " and resid 18   and name HN  ))
   (  segid "    " and resid 94   and name HD2%)
 ASSI {  937}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 158  and name HB2 ))
      4.900     3.000     1.100 peak   937 spectrum    1 weight  0.10000E+01 volume  0.19976E-02 ppm1      8.667 ppm2      3.079 CV     1
 OR {  937}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 40   and name HB2 ))
 ASSI {  941}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 54   and name HG  ))
      4.900     3.000     1.100 peak   941 spectrum    1 weight  0.10000E+01 volume  0.27580E-02 ppm1      8.668 ppm2      0.231 CV     1
 OR {  941}
   (( segid "    " and resid 39   and name HN  ))
   (  segid "    " and resid 18   and name HG2%)
 ASSI {  947}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 65   and name HA  ))
      5.800     4.100     0.200 peak   947 spectrum    1 weight  0.10000E+01 volume  0.55930E-03 ppm1      8.232 ppm2      4.594 CV     1
 OR {  947}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 70   and name HA  ))
 ASSI {  960}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 64   and name HG  ))
      3.900     1.900     1.900 peak   960 spectrum    1 weight  0.10000E+01 volume  0.10329E-01 ppm1      8.234 ppm2      0.769 CV     1
 OR {  960}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 66   and name HG1 ))
 ASSI {  995}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 53   and name HN  ))
      3.900     1.900     1.900 peak   995 spectrum    1 weight  0.10000E+01 volume  0.44477E-02 ppm1     10.308 ppm2      8.824 CV     1
 OR {  995}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 41   and name HN  ))
 ASSI { 1002}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 42   and name HB  ))
      3.800     1.800     1.800 peak  1002 spectrum    1 weight  0.10000E+01 volume  0.28179E-02 ppm1     10.306 ppm2      4.369 CV     1
 OR { 1002}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 53   and name HA  ))
 ASSI { 1004}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 55   and name HB2 ))
      5.700     4.000     0.300 peak  1004 spectrum    1 weight  0.10000E+01 volume  0.91268E-03 ppm1     10.306 ppm2      2.225 CV     1
 OR { 1004}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 44   and name HG1 ))
 OR { 1004}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 43   and name HG1 ))
 OR { 1004}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 43   and name HG2 ))
 ASSI { 1009}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 22   and name HN  ))
      4.500     2.500     1.500 peak  1009 spectrum    1 weight  0.10000E+01 volume  0.32275E-02 ppm1      8.728 ppm2      8.531 CV     1
 OR { 1009}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 54   and name HN  ))
 ASSI { 1016}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 18   and name HA  ))
      2.800     0.900     0.900 peak  1016 spectrum    1 weight  0.10000E+01 volume  0.10335E-01 ppm1      8.731 ppm2      3.422 CV     1
 OR { 1016}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 15   and name HA  ))
 ASSI { 1049}
   (( segid "    " and resid 56   and name HN  ))
   (  segid "    " and resid 7    and name HG2%)
      2.900     2.900     3.100 peak  1049 spectrum    1 weight  0.10000E+01 volume  0.39773E-02 ppm1      8.909 ppm2      0.818 CV     1
 OR { 1049}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 155  and name HG  ))
 ASSI { 1050}
   (( segid "    " and resid 56   and name HN  ))
   (  segid "    " and resid 18   and name HG2%)
      3.700     1.700     1.700 peak  1050 spectrum    1 weight  0.10000E+01 volume  0.36202E-02 ppm1      8.909 ppm2      0.235 CV     1
 OR { 1050}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 54   and name HG  ))
 ASSI { 1074}
   (( segid "    " and resid 156  and name HN  ))
   (( segid "    " and resid 157  and name HN  ))
      4.400     2.500     1.600 peak  1074 spectrum    1 weight  0.10000E+01 volume  0.29106E-02 ppm1      9.324 ppm2      8.802 CV     1
 OR { 1074}
   (( segid "    " and resid 156  and name HN  ))
   (( segid "    " and resid 41   and name HN  ))
 ASSI { 1091}
   (( segid "    " and resid 105  and name HN  ))
   (( segid "    " and resid 105  and name HB  ))
      2.700     0.900     0.900 peak  1091 spectrum    1 weight  0.10000E+01 volume  0.20387E-01 ppm1      8.188 ppm2      2.008 CV     1
 OR { 1091}
   (( segid "    " and resid 105  and name HN  ))
   (( segid "    " and resid 138  and name HG1 ))
 ASSI { 1094}
   (( segid "    " and resid 118  and name HN  ))
   (( segid "    " and resid 121  and name HB2 ))
      4.100     2.100     1.900 peak  1094 spectrum    1 weight  0.10000E+01 volume  0.26591E-02 ppm1      7.557 ppm2      0.866 CV     1
 OR { 1094}
   (( segid "    " and resid 118  and name HN  ))
   (  segid "    " and resid 131  and name HD1%)
 ASSI { 1101}
   (( segid "    " and resid 118  and name HN  ))
   (( segid "    " and resid 119  and name HA  ))
      3.900     1.900     1.900 peak  1101 spectrum    1 weight  0.10000E+01 volume  0.79587E-02 ppm1      7.549 ppm2      3.837 CV     1
 OR { 1101}
   (( segid "    " and resid 118  and name HN  ))
   (( segid "    " and resid 125  and name HA  ))
 ASSI { 1103}
   (( segid "    " and resid 118  and name HN  ))
   (( segid "    " and resid 115  and name HB1 ))
      4.000     2.000     2.000 peak  1103 spectrum    1 weight  0.10000E+01 volume  0.38583E-02 ppm1      7.551 ppm2      3.003 CV     1
 OR { 1103}
   (( segid "    " and resid 118  and name HN  ))
   (( segid "    " and resid 116  and name HB2 ))
 OR { 1103}
   (( segid "    " and resid 118  and name HN  ))
   (( segid "    " and resid 120  and name HB1 ))
 ASSI { 1112}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 22   and name HN  ))
      2.400     0.700     0.700 peak  1112 spectrum    1 weight  0.10000E+01 volume  0.17257E-01 ppm1      7.423 ppm2      8.504 CV     1
 OR { 1112}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 21   and name HN  ))
 ASSI { 1115}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 20   and name HA  ))
      2.900     1.000     1.000 peak  1115 spectrum    1 weight  0.10000E+01 volume  0.13959E-01 ppm1      7.424 ppm2      4.157 CV     1
 OR { 1115}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 21   and name HA  ))
 ASSI { 1116}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 23   and name HA  ))
      2.400     0.700     0.700 peak  1116 spectrum    1 weight  0.10000E+01 volume  0.31610E-01 ppm1      7.423 ppm2      3.992 CV     1
 OR { 1116}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 22   and name HA  ))
 ASSI { 1118}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 22   and name HB2 ))
      2.900     1.100     1.100 peak  1118 spectrum    1 weight  0.10000E+01 volume  0.38900E-01 ppm1      7.424 ppm2      1.472 CV     1
 OR { 1118}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 23   and name HG1 ))
 OR { 1118}
   (( segid "    " and resid 23   and name HN  ))
   (  segid "    " and resid 20   and name HB% )
 OR { 1118}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 23   and name HD2 ))
 ASSI { 1120}
   (( segid "    " and resid 23   and name HN  ))
   (  segid "    " and resid 25   and name HD1%)
      3.700     1.700     1.700 peak  1120 spectrum    1 weight  0.10000E+01 volume  0.12831E-01 ppm1      7.424 ppm2      0.852 CV     1
 OR { 1120}
   (( segid "    " and resid 23   and name HN  ))
   (  segid "    " and resid 76   and name HG2%)
 OR { 1120}
   (( segid "    " and resid 23   and name HN  ))
   (  segid "    " and resid 25   and name HD2%)
 ASSI { 1142}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 48   and name HB1 ))
      3.000     1.100     1.100 peak  1142 spectrum    1 weight  0.10000E+01 volume  0.23229E-01 ppm1      8.588 ppm2      2.029 CV     1
 OR { 1142}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 47   and name HG1 ))
 ASSI { 1152}
   (( segid "    " and resid 129  and name HN  ))
   (( segid "    " and resid 129  and name HA  ))
      2.500     0.800     0.800 peak  1152 spectrum    1 weight  0.10000E+01 volume  0.14879E-01 ppm1      8.660 ppm2      3.848 CV     1
 OR { 1152}
   (( segid "    " and resid 129  and name HN  ))
   (( segid "    " and resid 128  and name HA  ))
 OR { 1152}
   (( segid "    " and resid 129  and name HN  ))
   (( segid "    " and resid 125  and name HA  ))
 ASSI { 1157}
   (( segid "    " and resid 129  and name HN  ))
   (( segid "    " and resid 128  and name HG  ))
      3.900     1.900     1.900 peak  1157 spectrum    1 weight  0.10000E+01 volume  0.55498E-02 ppm1      8.659 ppm2      0.318 CV     1
 OR { 1157}
   (( segid "    " and resid 129  and name HN  ))
   (( segid "    " and resid 125  and name HG  ))
 ASSI { 1158}
   (( segid "    " and resid 129  and name HN  ))
   (( segid "    " and resid 126  and name HA  ))
      3.200     1.300     1.300 peak  1158 spectrum    1 weight  0.10000E+01 volume  0.98382E-02 ppm1      8.656 ppm2      4.791 CV     1
 OR { 1158}
   (( segid "    " and resid 129  and name HN  ))
   (( segid "    " and resid 132  and name HA  ))
 OR { 1158}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 60   and name HA  ))
 ASSI { 1161}
   (( segid "    " and resid 129  and name HN  ))
   (( segid "    " and resid 143  and name HG  ))
      2.600     2.600     3.400 peak  1161 spectrum    1 weight  0.10000E+01 volume  0.24929E-01 ppm1      8.657 ppm2      0.971 CV     1
 OR { 1161}
   (( segid "    " and resid 129  and name HN  ))
   (( segid "    " and resid 125  and name HB2 ))
 ASSI { 1180}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 98   and name HA  ))
      4.200     2.200     1.800 peak  1180 spectrum    1 weight  0.10000E+01 volume  0.24714E-02 ppm1      8.651 ppm2      4.188 CV     1
 OR { 1180}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 114  and name HD1 ))
 ASSI { 1182}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 100  and name HB1 ))
      3.600     1.700     1.700 peak  1182 spectrum    1 weight  0.10000E+01 volume  0.84654E-02 ppm1      8.653 ppm2      1.786 CV     1
 OR { 1182}
   (( segid "    " and resid 129  and name HN  ))
   (( segid "    " and resid 133  and name HG1 ))
 OR { 1182}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 2    and name HB  ))
 OR { 1182}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 5    and name HB  ))
 OR { 1182}
   (( segid "    " and resid 129  and name HN  ))
   (( segid "    " and resid 133  and name HG2 ))
 ASSI { 1183}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 5    and name HG12))
      3.700     1.700     1.700 peak  1183 spectrum    1 weight  0.10000E+01 volume  0.47935E-02 ppm1      8.650 ppm2      1.602 CV     1
 OR { 1183}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 5    and name HG11))
 OR { 1183}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 100  and name HG  ))
 ASSI { 1184}
   (( segid "    " and resid 129  and name HN  ))
   (( segid "    " and resid 128  and name HB1 ))
      2.500     0.800     0.800 peak  1184 spectrum    1 weight  0.10000E+01 volume  0.22250E-01 ppm1      8.652 ppm2      1.223 CV     1
 OR { 1184}
   (( segid "    " and resid 4    and name HN  ))
   (  segid "    " and resid 3    and name HB% )
 ASSI { 1185}
   (( segid "    " and resid 4    and name HN  ))
   (  segid "    " and resid 135  and name HD2%)
      4.600     4.600     1.400 peak  1185 spectrum    1 weight  0.10000E+01 volume  0.36267E-02 ppm1      8.652 ppm2      0.119 CV     1
 OR { 1185}
   (( segid "    " and resid 4    and name HN  ))
   (  segid "    " and resid 2    and name HG2%)
 ASSI { 1257}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 15   and name HA  ))
      3.600     1.700     1.700 peak  1257 spectrum    1 weight  0.10000E+01 volume  0.54247E-02 ppm1      8.169 ppm2      3.422 CV     1
 OR { 1257}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 18   and name HA  ))
 ASSI { 1260}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 17   and name HB2 ))
      2.500     0.800     0.800 peak  1260 spectrum    1 weight  0.10000E+01 volume  0.22640E-01 ppm1      8.169 ppm2      2.169 CV     1
 OR { 1260}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 17   and name HB1 ))
 OR { 1260}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 16   and name HB1 ))
 ASSI { 1263}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 15   and name HG  ))
      3.900     1.900     1.900 peak  1263 spectrum    1 weight  0.10000E+01 volume  0.70008E-02 ppm1      8.171 ppm2      1.503 CV     1
 OR { 1263}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 7    and name HB  ))
 ASSI { 1267}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 21   and name HN  ))
      4.100     2.100     1.900 peak  1267 spectrum    1 weight  0.10000E+01 volume  0.23193E-02 ppm1      8.102 ppm2      8.487 CV     1
 OR { 1267}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 22   and name HN  ))
 ASSI { 1274}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 18   and name HA  ))
      3.300     1.400     1.400 peak  1274 spectrum    1 weight  0.10000E+01 volume  0.50378E-02 ppm1      8.102 ppm2      3.419 CV     1
 OR { 1274}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 15   and name HA  ))
 ASSI { 1278}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 17   and name HB2 ))
      4.600     2.600     1.400 peak  1278 spectrum    1 weight  0.10000E+01 volume  0.27101E-02 ppm1      8.099 ppm2      2.153 CV     1
 OR { 1278}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 16   and name HB1 ))
 OR { 1278}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 17   and name HB1 ))
 ASSI { 1281}
   (( segid "    " and resid 19   and name HN  ))
   (  segid "    " and resid 22   and name HD1%)
      4.500     2.500     1.500 peak  1281 spectrum    1 weight  0.10000E+01 volume  0.38100E-02 ppm1      8.101 ppm2      1.131 CV     1
 OR { 1281}
   (( segid "    " and resid 19   and name HN  ))
   (  segid "    " and resid 36   and name HG1%)
 ASSI { 1282}
   (( segid "    " and resid 19   and name HN  ))
   (  segid "    " and resid 22   and name HD2%)
      3.700     3.700     2.300 peak  1282 spectrum    1 weight  0.10000E+01 volume  0.92852E-02 ppm1      8.102 ppm2      0.885 CV     1
 OR { 1282}
   (( segid "    " and resid 19   and name HN  ))
   (  segid "    " and resid 94   and name HD1%)
 ASSI { 1287}
   (( segid "    " and resid 150  and name HN  ))
   (( segid "    " and resid 152  and name HN  ))
      4.300     2.300     1.700 peak  1287 spectrum    1 weight  0.10000E+01 volume  0.63074E-02 ppm1      7.854 ppm2      7.187 CV     1
 OR { 1287}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 71   and name HD22))
 ASSI { 1288}
   (( segid "    " and resid 70   and name HN  ))
   (  segid "    " and resid 101  and name HD% )
      3.800     1.800     1.800 peak  1288 spectrum    1 weight  0.10000E+01 volume  0.63322E-02 ppm1      7.856 ppm2      7.025 CV     1
 OR { 1288}
   (( segid "    " and resid 150  and name HN  ))
   (( segid "    " and resid 121  and name HN  ))
 ASSI { 1290}
   (( segid "    " and resid 150  and name HN  ))
   (( segid "    " and resid 149  and name HB  ))
      2.900     1.100     1.100 peak  1290 spectrum    1 weight  0.10000E+01 volume  0.14215E-01 ppm1      7.853 ppm2      4.183 CV     1
 OR { 1290}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 69   and name HA  ))
 ASSI { 1291}
   (( segid "    " and resid 150  and name HN  ))
   (( segid "    " and resid 150  and name HD1 ))
      4.500     2.600     1.500 peak  1291 spectrum    1 weight  0.10000E+01 volume  0.38450E-02 ppm1      7.853 ppm2      3.102 CV     1
 OR { 1291}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 71   and name HB2 ))
 ASSI { 1295}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 68   and name HA  ))
      4.800     2.900     1.200 peak  1295 spectrum    1 weight  0.10000E+01 volume  0.22871E-02 ppm1      7.841 ppm2      4.349 CV     1
 OR { 1295}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 71   and name HA  ))
 OR { 1295}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 73   and name HA  ))
 ASSI { 1296}
   (( segid "    " and resid 150  and name HN  ))
   (( segid "    " and resid 147  and name HA  ))
      2.600     0.800     0.800 peak  1296 spectrum    1 weight  0.10000E+01 volume  0.13740E-01 ppm1      7.847 ppm2      3.656 CV     1
 OR { 1296}
   (( segid "    " and resid 150  and name HN  ))
   (( segid "    " and resid 146  and name HA  ))
 ASSI { 1297}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 66   and name HA  ))
      3.200     1.300     1.300 peak  1297 spectrum    1 weight  0.10000E+01 volume  0.10962E-01 ppm1      7.842 ppm2      3.348 CV     1
 OR { 1297}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 101  and name HB2 ))
 ASSI { 1300}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 70   and name HB1 ))
      2.400     0.700     0.700 peak  1300 spectrum    1 weight  0.10000E+01 volume  0.17017E-01 ppm1      7.841 ppm2      1.021 CV     1
 OR { 1300}
   (( segid "    " and resid 70   and name HN  ))
   (  segid "    " and resid 69   and name HD1%)
 ASSI { 1302}
   (( segid "    " and resid 150  and name HN  ))
   (  segid "    " and resid 146  and name HG2%)
      3.000     3.000     3.000 peak  1302 spectrum    1 weight  0.10000E+01 volume  0.36754E-01 ppm1      7.845 ppm2      0.760 CV     1
 OR { 1302}
   (( segid "    " and resid 70   and name HN  ))
   (  segid "    " and resid 70   and name HD2%)
 ASSI { 1304}
   (( segid "    " and resid 70   and name HN  ))
   (  segid "    " and resid 111  and name HD1%)
      3.900     1.900     1.900 peak  1304 spectrum    1 weight  0.10000E+01 volume  0.90175E-02 ppm1      7.843 ppm2      0.342 CV     1
 OR { 1304}
   (( segid "    " and resid 150  and name HN  ))
   (( segid "    " and resid 125  and name HG  ))
 ASSI { 1317}
   (( segid "    " and resid 92   and name HN  ))
   (( segid "    " and resid 91   and name HD1 ))
      3.900     1.900     1.900 peak  1317 spectrum    1 weight  0.10000E+01 volume  0.49211E-02 ppm1      9.320 ppm2      3.509 CV     1
 OR { 1317}
   (( segid "    " and resid 92   and name HN  ))
   (( segid "    " and resid 92   and name HD1 ))
 ASSI { 1319}
   (( segid "    " and resid 92   and name HN  ))
   (( segid "    " and resid 91   and name HB2 ))
      3.300     1.400     1.400 peak  1319 spectrum    1 weight  0.10000E+01 volume  0.48359E-02 ppm1      9.319 ppm2      1.809 CV     1
 OR { 1319}
   (( segid "    " and resid 92   and name HN  ))
   (( segid "    " and resid 91   and name HB1 ))
 OR { 1319}
   (( segid "    " and resid 92   and name HN  ))
   (( segid "    " and resid 92   and name HG1 ))
 ASSI { 1323}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 18   and name HN  ))
      2.600     0.800     0.800 peak  1323 spectrum    1 weight  0.10000E+01 volume  0.19802E-01 ppm1      8.158 ppm2      8.714 CV     1
 OR { 1323}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 13   and name HN  ))
 ASSI { 1330}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 78   and name HA  ))
      2.800     1.000     1.000 peak  1330 spectrum    1 weight  0.10000E+01 volume  0.12734E-01 ppm1      7.984 ppm2      4.173 CV     1
 OR { 1330}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 75   and name HA  ))
 OR { 1330}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 79   and name HA  ))
 ASSI { 1333}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 79   and name HB2 ))
      4.500     2.600     1.500 peak  1333 spectrum    1 weight  0.10000E+01 volume  0.30032E-02 ppm1      7.980 ppm2      2.290 CV     1
 OR { 1333}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 74   and name HB1 ))
 ASSI { 1335}
   (( segid "    " and resid 150  and name HN  ))
   (( segid "    " and resid 151  and name HN  ))
      2.400     0.700     0.700 peak  1335 spectrum    1 weight  0.10000E+01 volume  0.18860E-01 ppm1      7.856 ppm2      7.522 CV     1
 OR { 1335}
   (( segid "    " and resid 150  and name HN  ))
   (( segid "    " and resid 148  and name HN  ))
 ASSI { 1337}
   (( segid "    " and resid 150  and name HN  ))
   (( segid "    " and resid 150  and name HA  ))
      2.600     0.800     0.800 peak  1337 spectrum    1 weight  0.10000E+01 volume  0.23992E-01 ppm1      7.857 ppm2      4.007 CV     1
 OR { 1337}
   (( segid "    " and resid 150  and name HN  ))
   (( segid "    " and resid 149  and name HA  ))
 ASSI { 1338}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 72   and name HB2 ))
      4.400     2.400     1.600 peak  1338 spectrum    1 weight  0.10000E+01 volume  0.35110E-02 ppm1      7.856 ppm2      2.951 CV     1
 OR { 1338}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 74   and name HG2 ))
 ASSI { 1340}
   (( segid "    " and resid 150  and name HN  ))
   (  segid "    " and resid 151  and name HB% )
      3.000     3.000     3.000 peak  1340 spectrum    1 weight  0.10000E+01 volume  0.29112E-01 ppm1      7.856 ppm2      1.225 CV     1
 OR { 1340}
   (( segid "    " and resid 70   and name HN  ))
   (  segid "    " and resid 3    and name HB% )
 ASSI { 1344}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 71   and name HA  ))
      3.000     1.200     1.200 peak  1344 spectrum    1 weight  0.10000E+01 volume  0.14469E-01 ppm1      7.778 ppm2      4.357 CV     1
 OR { 1344}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 68   and name HA  ))
 ASSI { 1347}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 68   and name HG2 ))
      4.700     2.700     1.300 peak  1347 spectrum    1 weight  0.10000E+01 volume  0.12784E-02 ppm1      7.780 ppm2      2.428 CV     1
 OR { 1347}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 68   and name HG1 ))
 OR { 1347}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 74   and name HG1 ))
 ASSI { 1349}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 70   and name HB2 ))
      4.100     2.100     1.900 peak  1349 spectrum    1 weight  0.10000E+01 volume  0.61781E-02 ppm1      7.780 ppm2      1.901 CV     1
 OR { 1349}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 75   and name HB2 ))
 OR { 1349}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 98   and name HG11))
 ASSI { 1350}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 69   and name HG  ))
      5.400     3.700     0.600 peak  1350 spectrum    1 weight  0.10000E+01 volume  0.10383E-02 ppm1      7.777 ppm2      1.611 CV     1
 OR { 1350}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 75   and name HG2 ))
 OR { 1350}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 96   and name HG  ))
 OR { 1350}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 5    and name HG12))
 ASSI { 1351}
   (( segid "    " and resid 72   and name HN  ))
   (  segid "    " and resid 69   and name HD2%)
      4.300     2.300     1.700 peak  1351 spectrum    1 weight  0.10000E+01 volume  0.49299E-02 ppm1      7.778 ppm2      0.922 CV     1
 OR { 1351}
   (( segid "    " and resid 72   and name HN  ))
   (  segid "    " and resid 76   and name HD1%)
 ASSI { 1353}
   (( segid "    " and resid 121  and name HN  ))
   (( segid "    " and resid 119  and name HN  ))
      3.700     1.700     1.700 peak  1353 spectrum    1 weight  0.10000E+01 volume  0.81961E-02 ppm1      7.000 ppm2      8.114 CV     1
 OR { 1353}
   (( segid "    " and resid 121  and name HN  ))
   (( segid "    " and resid 120  and name HD21))
 ASSI { 1360}
   (( segid "    " and resid 121  and name HN  ))
   (( segid "    " and resid 150  and name HD2 ))
      3.900     1.900     1.900 peak  1360 spectrum    1 weight  0.10000E+01 volume  0.47234E-02 ppm1      7.000 ppm2      2.997 CV     1
 OR { 1360}
   (( segid "    " and resid 121  and name HN  ))
   (( segid "    " and resid 120  and name HB1 ))
 ASSI { 1364}
   (( segid "    " and resid 121  and name HN  ))
   (( segid "    " and resid 150  and name HG1 ))
      3.300     3.300     2.700 peak  1364 spectrum    1 weight  0.10000E+01 volume  0.13417E-01 ppm1      6.998 ppm2      1.510 CV     1
 OR { 1364}
   (( segid "    " and resid 121  and name HN  ))
   (( segid "    " and resid 119  and name HB1 ))
 ASSI { 1374}
   (( segid "    " and resid 12   and name HN  ))
   (  segid "    " and resid 12   and name HB% )
      2.900     1.100     1.100 peak  1374 spectrum    1 weight  0.10000E+01 volume  0.21626E-01 ppm1      8.151 ppm2      1.240 CV     1
 OR { 1374}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 11   and name HB2 ))
 ASSI { 1380}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 77   and name HG2 ))
      5.000     3.100     1.000 peak  1380 spectrum    1 weight  0.10000E+01 volume  0.17006E-02 ppm1      7.982 ppm2      2.866 CV     1
 OR { 1380}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 80   and name HB2 ))
 ASSI { 1381}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 77   and name HB1 ))
      3.400     1.500     1.500 peak  1381 spectrum    1 weight  0.10000E+01 volume  0.64569E-02 ppm1      7.982 ppm2      2.591 CV     1
 OR { 1381}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 79   and name HG2 ))
 ASSI { 1383}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 78   and name HB1 ))
      2.900     1.100     1.100 peak  1383 spectrum    1 weight  0.10000E+01 volume  0.33859E-01 ppm1      7.982 ppm2      1.797 CV     1
 OR { 1383}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 82   and name HG2 ))
 ASSI { 1385}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 82   and name HB1 ))
      4.200     2.200     1.800 peak  1385 spectrum    1 weight  0.10000E+01 volume  0.34320E-02 ppm1      7.982 ppm2      1.597 CV     1
 OR { 1385}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 75   and name HG2 ))
 OR { 1385}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 82   and name HB2 ))
 OR { 1385}
   (( segid "    " and resid 78   and name HN  ))
   (  segid "    " and resid 24   and name HB% )
 ASSI { 1389}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 75   and name HB1 ))
      5.200     3.400     0.800 peak  1389 spectrum    1 weight  0.10000E+01 volume  0.20408E-02 ppm1      7.980 ppm2      2.356 CV     1
 OR { 1389}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 79   and name HB1 ))
 ASSI { 1398}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 69   and name HB1 ))
      6.000     4.500     0.000 peak  1398 spectrum    1 weight  0.10000E+01 volume  0.45895E-03 ppm1      7.777 ppm2      1.327 CV     1
 OR { 1398}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 111  and name HB2 ))
 ASSI { 1399}
   (( segid "    " and resid 72   and name HN  ))
   (  segid "    " and resid 69   and name HD1%)
      3.600     1.600     1.600 peak  1399 spectrum    1 weight  0.10000E+01 volume  0.80086E-02 ppm1      7.779 ppm2      1.059 CV     1
 OR { 1399}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 70   and name HB1 ))
 ASSI { 1408}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 51   and name HG2 ))
      3.600     1.600     1.600 peak  1408 spectrum    1 weight  0.10000E+01 volume  0.10552E-01 ppm1      6.986 ppm2      2.166 CV     1
 OR { 1408}
   (( segid "    " and resid 121  and name HN  ))
   (( segid "    " and resid 124  and name HB2 ))
 OR { 1408}
   (( segid "    " and resid 121  and name HN  ))
   (( segid "    " and resid 124  and name HB1 ))
 OR { 1408}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 17   and name HB2 ))
 OR { 1408}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 14   and name HG2 ))
 OR { 1408}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 17   and name HB1 ))
 ASSI { 1409}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 11   and name HB2 ))
      2.700     0.900     0.900 peak  1409 spectrum    1 weight  0.10000E+01 volume  0.99524E-02 ppm1      6.985 ppm2      1.242 CV     1
 OR { 1409}
   (( segid "    " and resid 11   and name HN  ))
   (  segid "    " and resid 93   and name HG2%)
 ASSI { 1437}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 25   and name HG  ))
      4.500     2.500     1.500 peak  1437 spectrum    1 weight  0.10000E+01 volume  0.35487E-02 ppm1      7.335 ppm2      1.989 CV     1
 OR { 1437}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 29   and name HG1 ))
 ASSI { 1438}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 28   and name HB  ))
      3.800     1.800     1.800 peak  1438 spectrum    1 weight  0.10000E+01 volume  0.10635E-01 ppm1      7.335 ppm2      1.571 CV     1
 OR { 1438}
   (( segid "    " and resid 27   and name HN  ))
   (  segid "    " and resid 24   and name HB% )
 ASSI { 1448}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 14   and name HA  ))
      5.600     4.000     0.400 peak  1448 spectrum    1 weight  0.10000E+01 volume  0.11621E-02 ppm1      6.981 ppm2      4.320 CV     1
 OR { 1448}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 48   and name HA  ))
 ASSI { 1453}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 17   and name HG1 ))
      6.000     4.900     0.000 peak  1453 spectrum    1 weight  0.10000E+01 volume  0.47322E-03 ppm1      6.977 ppm2      2.642 CV     1
 OR { 1453}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 17   and name HG2 ))
 OR { 1453}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 49   and name HB2 ))
 ASSI { 1473}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 14   and name HG1 ))
      6.000     5.800     0.000 peak  1473 spectrum    1 weight  0.10000E+01 volume  0.15259E-03 ppm1      8.842 ppm2      1.435 CV     1
 OR { 1473}
   (( segid "    " and resid 53   and name HN  ))
   (  segid "    " and resid 42   and name HG2%)
 ASSI { 1520}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 67   and name HA  ))
      3.500     1.500     1.500 peak  1520 spectrum    1 weight  0.10000E+01 volume  0.45519E-02 ppm1      6.879 ppm2      3.644 CV     1
 OR { 1520}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 66   and name HD2 ))
 ASSI { 1526}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 70   and name HB1 ))
      4.200     2.200     1.800 peak  1526 spectrum    1 weight  0.10000E+01 volume  0.67047E-02 ppm1      6.879 ppm2      1.004 CV     1
 OR { 1526}
   (( segid "    " and resid 68   and name HN  ))
   (  segid "    " and resid 69   and name HD1%)
 ASSI { 1527}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 64   and name HG  ))
      4.900     3.000     1.100 peak  1527 spectrum    1 weight  0.10000E+01 volume  0.45529E-02 ppm1      6.877 ppm2      0.760 CV     1
 OR { 1527}
   (( segid "    " and resid 68   and name HN  ))
   (  segid "    " and resid 70   and name HD2%)
 ASSI { 1536}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 10   and name HB1 ))
      3.500     1.500     1.500 peak  1536 spectrum    1 weight  0.10000E+01 volume  0.61707E-02 ppm1      8.834 ppm2      2.417 CV     1
 OR { 1536}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 52   and name HB1 ))
 ASSI { 1538}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 20   and name HN  ))
      3.900     1.900     1.900 peak  1538 spectrum    1 weight  0.10000E+01 volume  0.47225E-02 ppm1      8.511 ppm2      8.127 CV     1
 OR { 1538}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 19   and name HN  ))
 ASSI { 1550}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 22   and name HB2 ))
      2.800     0.900     0.900 peak  1550 spectrum    1 weight  0.10000E+01 volume  0.45279E-01 ppm1      8.512 ppm2      1.498 CV     1
 OR { 1550}
   (( segid "    " and resid 22   and name HN  ))
   (  segid "    " and resid 20   and name HB% )
 ASSI { 1552}
   (( segid "    " and resid 22   and name HN  ))
   (  segid "    " and resid 25   and name HD1%)
      3.300     3.300     2.700 peak  1552 spectrum    1 weight  0.10000E+01 volume  0.23216E-01 ppm1      8.512 ppm2      0.848 CV     1
 OR { 1552}
   (( segid "    " and resid 22   and name HN  ))
   (  segid "    " and resid 76   and name HG2%)
 OR { 1552}
   (( segid "    " and resid 22   and name HN  ))
   (  segid "    " and resid 94   and name HD1%)
 OR { 1552}
   (( segid "    " and resid 22   and name HN  ))
   (  segid "    " and resid 25   and name HD2%)
 ASSI { 1559}
   (( segid "    " and resid 104  and name HN  ))
   (( segid "    " and resid 101  and name HA  ))
      3.300     3.300     2.700 peak  1559 spectrum    1 weight  0.10000E+01 volume  0.11314E-02 ppm1      8.323 ppm2      4.560 CV     1
 OR { 1559}
   (( segid "    " and resid 104  and name HN  ))
   (( segid "    " and resid 99   and name HA  ))
 ASSI { 1562}
   (( segid "    " and resid 104  and name HN  ))
   (( segid "    " and resid 101  and name HB2 ))
      6.000     5.200     0.000 peak  1562 spectrum    1 weight  0.10000E+01 volume  0.92897E-03 ppm1      8.325 ppm2      3.335 CV     1
 OR { 1562}
   (( segid "    " and resid 104  and name HN  ))
   (( segid "    " and resid 66   and name HA  ))
 ASSI { 1567}
   (( segid "    " and resid 104  and name HN  ))
   (( segid "    " and resid 138  and name HG1 ))
      3.700     1.700     1.700 peak  1567 spectrum    1 weight  0.10000E+01 volume  0.61664E-02 ppm1      8.325 ppm2      2.003 CV     1
 OR { 1567}
   (( segid "    " and resid 104  and name HN  ))
   (( segid "    " and resid 138  and name HG2 ))
 OR { 1567}
   (( segid "    " and resid 104  and name HN  ))
   (( segid "    " and resid 105  and name HB  ))
 ASSI { 1587}
   (( segid "    " and resid 124  and name HN  ))
   (( segid "    " and resid 124  and name HA  ))
      3.200     1.300     1.300 peak  1587 spectrum    1 weight  0.10000E+01 volume  0.50296E-02 ppm1      6.516 ppm2      4.383 CV     1
 OR { 1587}
   (( segid "    " and resid 124  and name HN  ))
   (( segid "    " and resid 123  and name HA  ))
 ASSI { 1588}
   (( segid "    " and resid 124  and name HN  ))
   (( segid "    " and resid 122  and name HA1 ))
      5.500     3.800     0.500 peak  1588 spectrum    1 weight  0.10000E+01 volume  0.18673E-02 ppm1      6.516 ppm2      4.132 CV     1
 OR { 1588}
   (( segid "    " and resid 124  and name HN  ))
   (( segid "    " and resid 121  and name HA  ))
 ASSI { 1589}
   (( segid "    " and resid 124  and name HN  ))
   (( segid "    " and resid 125  and name HA  ))
      4.500     2.500     1.500 peak  1589 spectrum    1 weight  0.10000E+01 volume  0.34497E-02 ppm1      6.511 ppm2      3.822 CV     1
 OR { 1589}
   (( segid "    " and resid 124  and name HN  ))
   (( segid "    " and resid 119  and name HA  ))
 ASSI { 1590}
   (( segid "    " and resid 124  and name HN  ))
   (( segid "    " and resid 123  and name HB2 ))
      4.200     2.200     1.800 peak  1590 spectrum    1 weight  0.10000E+01 volume  0.15549E-02 ppm1      6.512 ppm2      3.353 CV     1
 OR { 1590}
   (( segid "    " and resid 124  and name HN  ))
   (( segid "    " and resid 118  and name HG1 ))
 OR { 1590}
   (( segid "    " and resid 124  and name HN  ))
   (( segid "    " and resid 118  and name HG2 ))
 ASSI { 1591}
   (( segid "    " and resid 124  and name HN  ))
   (( segid "    " and resid 122  and name HA2 ))
      4.400     2.400     1.600 peak  1591 spectrum    1 weight  0.10000E+01 volume  0.24817E-02 ppm1      6.516 ppm2      2.851 CV     1
 OR { 1591}
   (( segid "    " and resid 124  and name HN  ))
   (( segid "    " and resid 154  and name HE1 ))
 ASSI { 1595}
   (( segid "    " and resid 124  and name HN  ))
   (( segid "    " and resid 121  and name HG2 ))
      2.500     2.500     3.500 peak  1595 spectrum    1 weight  0.10000E+01 volume  0.43278E-02 ppm1      6.514 ppm2      1.338 CV     1
 OR { 1595}
   (( segid "    " and resid 124  and name HN  ))
   (( segid "    " and resid 135  and name HB1 ))
 ASSI { 1606}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 52   and name HA  ))
      2.600     0.800     0.800 peak  1606 spectrum    1 weight  0.10000E+01 volume  0.33783E-01 ppm1      8.041 ppm2      4.444 CV     1
 OR { 1606}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 51   and name HA  ))
 ASSI { 1608}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 51   and name HD1 ))
      4.700     2.800     1.300 peak  1608 spectrum    1 weight  0.10000E+01 volume  0.26398E-02 ppm1      8.041 ppm2      3.845 CV     1
 OR { 1608}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 44   and name HD2 ))
 ASSI { 1666}
   (( segid "    " and resid 126  and name HN  ))
   (  segid "    " and resid 152  and name HD% )
      4.200     2.200     1.800 peak  1666 spectrum    1 weight  0.10000E+01 volume  0.44567E-02 ppm1      8.703 ppm2      7.034 CV     1
 OR { 1666}
   (( segid "    " and resid 126  and name HN  ))
   (  segid "    " and resid 40   and name HD% )
 ASSI { 1672}
   (( segid "    " and resid 126  and name HN  ))
   (( segid "    " and resid 125  and name HA  ))
      3.600     1.600     1.600 peak  1672 spectrum    1 weight  0.10000E+01 volume  0.39399E-02 ppm1      8.706 ppm2      3.811 CV     1
 OR { 1672}
   (( segid "    " and resid 126  and name HN  ))
   (( segid "    " and resid 119  and name HA  ))
 ASSI { 1676}
   (( segid "    " and resid 126  and name HN  ))
   (( segid "    " and resid 127  and name HG2 ))
      4.600     2.700     1.400 peak  1676 spectrum    1 weight  0.10000E+01 volume  0.36428E-02 ppm1      8.706 ppm2      2.067 CV     1
 OR { 1676}
   (( segid "    " and resid 126  and name HN  ))
   (( segid "    " and resid 128  and name HB2 ))
 ASSI { 1683}
   (( segid "    " and resid 126  and name HN  ))
   (  segid "    " and resid 155  and name HD1%)
      3.600     1.700     1.700 peak  1683 spectrum    1 weight  0.10000E+01 volume  0.14574E-01 ppm1      8.704 ppm2      0.485 CV     1
 OR { 1683}
   (( segid "    " and resid 126  and name HN  ))
   (  segid "    " and resid 125  and name HD1%)
 OR { 1683}
   (( segid "    " and resid 126  and name HN  ))
   (  segid "    " and resid 125  and name HD2%)
 ASSI { 1690}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 51   and name HA  ))
      5.200     3.400     0.800 peak  1690 spectrum    1 weight  0.10000E+01 volume  0.15069E-02 ppm1      7.821 ppm2      4.467 CV     1
 OR { 1690}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 47   and name HA  ))
 ASSI { 1695}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 50   and name HB2 ))
      2.700     0.900     0.900 peak  1695 spectrum    1 weight  0.10000E+01 volume  0.37597E-01 ppm1      7.821 ppm2      2.024 CV     1
 OR { 1695}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 50   and name HB1 ))
 OR { 1695}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 48   and name HB1 ))
 ASSI { 1697}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 98   and name HG11))
      3.200     3.200     2.800 peak  1697 spectrum    1 weight  0.10000E+01 volume  0.30005E-01 ppm1      7.807 ppm2      1.860 CV     1
 OR { 1697}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 67   and name HB2 ))
 OR { 1697}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 67   and name HB1 ))
 ASSI { 1701}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 71   and name HA  ))
      2.600     0.900     0.900 peak  1701 spectrum    1 weight  0.10000E+01 volume  0.22518E-01 ppm1      7.796 ppm2      4.333 CV     1
 OR { 1701}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 68   and name HA  ))
 ASSI { 1704}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 111  and name HB2 ))
      3.600     1.600     1.600 peak  1704 spectrum    1 weight  0.10000E+01 volume  0.51256E-02 ppm1      7.795 ppm2      1.343 CV     1
 OR { 1704}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 70   and name HG  ))
 OR { 1704}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 69   and name HB1 ))
 ASSI { 1705}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 70   and name HB1 ))
      2.600     0.800     0.800 peak  1705 spectrum    1 weight  0.10000E+01 volume  0.88816E-02 ppm1      7.791 ppm2      1.025 CV     1
 OR { 1705}
   (( segid "    " and resid 71   and name HN  ))
   (  segid "    " and resid 69   and name HD1%)
 ASSI { 1716}
   (( segid "    " and resid 130  and name HN  ))
   (( segid "    " and resid 126  and name HA  ))
      4.400     2.400     1.600 peak  1716 spectrum    1 weight  0.10000E+01 volume  0.39091E-02 ppm1      7.743 ppm2      4.798 CV     1
 OR { 1716}
   (( segid "    " and resid 130  and name HN  ))
   (( segid "    " and resid 132  and name HA  ))
 ASSI { 1717}
   (( segid "    " and resid 130  and name HN  ))
   (( segid "    " and resid 127  and name HA  ))
      3.300     1.400     1.400 peak  1717 spectrum    1 weight  0.10000E+01 volume  0.88566E-02 ppm1      7.745 ppm2      4.525 CV     1
 OR { 1717}
   (( segid "    " and resid 130  and name HN  ))
   (( segid "    " and resid 131  and name HA  ))
 ASSI { 1718}
   (( segid "    " and resid 130  and name HN  ))
   (( segid "    " and resid 37   and name HB2 ))
      5.800     4.200     0.200 peak  1718 spectrum    1 weight  0.10000E+01 volume  0.64022E-03 ppm1      7.746 ppm2      4.077 CV     1
 OR { 1718}
   (( segid "    " and resid 130  and name HN  ))
   (( segid "    " and resid 143  and name HA  ))
 ASSI { 1719}
   (( segid "    " and resid 130  and name HN  ))
   (( segid "    " and resid 129  and name HA  ))
      2.600     0.800     0.800 peak  1719 spectrum    1 weight  0.10000E+01 volume  0.17454E-01 ppm1      7.745 ppm2      3.870 CV     1
 OR { 1719}
   (( segid "    " and resid 130  and name HN  ))
   (( segid "    " and resid 128  and name HA  ))
 ASSI { 1736}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 18   and name HN  ))
      4.400     2.400     1.600 peak  1736 spectrum    1 weight  0.10000E+01 volume  0.22826E-02 ppm1      7.268 ppm2      8.725 CV     1
 OR { 1736}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 13   and name HN  ))
 ASSI { 1737}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 15   and name HN  ))
      2.300     0.700     0.700 peak  1737 spectrum    1 weight  0.10000E+01 volume  0.23870E-01 ppm1      7.265 ppm2      8.168 CV     1
 OR { 1737}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 17   and name HN  ))
 ASSI { 1747}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 16   and name HA  ))
      2.500     0.800     0.800 peak  1747 spectrum    1 weight  0.10000E+01 volume  0.19309E-01 ppm1      7.264 ppm2      4.103 CV     1
 OR { 1747}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 13   and name HA  ))
 ASSI { 1750}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 16   and name HB1 ))
      3.300     1.400     1.400 peak  1750 spectrum    1 weight  0.10000E+01 volume  0.22714E-01 ppm1      7.265 ppm2      2.163 CV     1
 OR { 1750}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 17   and name HB2 ))
 ASSI { 1757}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 5    and name HN  ))
      3.200     1.300     1.300 peak  1757 spectrum    1 weight  0.10000E+01 volume  0.58114E-02 ppm1      9.075 ppm2      9.494 CV     1
 OR { 1757}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 57   and name HN  ))
 ASSI { 1760}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 58   and name HA  ))
      2.600     0.900     0.900 peak  1760 spectrum    1 weight  0.10000E+01 volume  0.11765E-01 ppm1      9.079 ppm2      5.027 CV     1
 OR { 1760}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 6    and name HA  ))
 ASSI { 1761}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 59   and name HA  ))
      3.900     1.900     1.900 peak  1761 spectrum    1 weight  0.10000E+01 volume  0.66912E-02 ppm1      9.079 ppm2      4.841 CV     1
 OR { 1761}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 36   and name HA  ))
 ASSI { 1762}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 58   and name HB  ))
      3.200     1.300     1.300 peak  1762 spectrum    1 weight  0.10000E+01 volume  0.93618E-02 ppm1      9.078 ppm2      1.982 CV     1
 OR { 1762}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 100  and name HB2 ))
 ASSI { 1763}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 5    and name HB  ))
      3.400     1.400     1.400 peak  1763 spectrum    1 weight  0.10000E+01 volume  0.58962E-02 ppm1      9.076 ppm2      1.773 CV     1
 OR { 1763}
   (( segid "    " and resid 58   and name HN  ))
   (  segid "    " and resid 6    and name HB% )
 ASSI { 1764}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 5    and name HG11))
      3.700     1.700     1.700 peak  1764 spectrum    1 weight  0.10000E+01 volume  0.70509E-02 ppm1      9.081 ppm2      1.576 CV     1
 OR { 1764}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 5    and name HG12))
 OR { 1764}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 127  and name HG1 ))
 ASSI { 1768}
   (( segid "    " and resid 58   and name HN  ))
   (  segid "    " and resid 7    and name HD1%)
      3.900     1.900     1.900 peak  1768 spectrum    1 weight  0.10000E+01 volume  0.36295E-02 ppm1      9.080 ppm2      0.695 CV     1
 OR { 1768}
   (( segid "    " and resid 58   and name HN  ))
   (  segid "    " and resid 100  and name HD1%)
 ASSI { 1772}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 72   and name HD2 ))
      4.800     2.800     1.200 peak  1772 spectrum    1 weight  0.10000E+01 volume  0.54396E-02 ppm1      7.792 ppm2      7.217 CV     1
 OR { 1772}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 71   and name HD22))
 ASSI { 1778}
   (( segid "    " and resid 147  and name HN  ))
   (( segid "    " and resid 143  and name HA  ))
      5.700     4.000     0.300 peak  1778 spectrum    1 weight  0.10000E+01 volume  0.65406E-03 ppm1      7.464 ppm2      4.097 CV     1
 OR { 1778}
   (( segid "    " and resid 147  and name HN  ))
   (( segid "    " and resid 151  and name HA  ))
 ASSI { 1779}
   (( segid "    " and resid 147  and name HN  ))
   (( segid "    " and resid 147  and name HA  ))
      2.600     0.900     0.900 peak  1779 spectrum    1 weight  0.10000E+01 volume  0.12453E-01 ppm1      7.463 ppm2      3.671 CV     1
 OR { 1779}
   (( segid "    " and resid 147  and name HN  ))
   (( segid "    " and resid 146  and name HA  ))
 ASSI { 1797}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 78   and name HG  ))
      4.300     2.300     1.700 peak  1797 spectrum    1 weight  0.10000E+01 volume  0.37217E-02 ppm1      8.012 ppm2      0.973 CV     1
 OR { 1797}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 96   and name HB1 ))
 ASSI { 1805}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 78   and name HG  ))
      5.100     3.300     0.900 peak  1805 spectrum    1 weight  0.10000E+01 volume  0.19991E-02 ppm1      7.637 ppm2      0.978 CV     1
 OR { 1805}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 96   and name HB1 ))
 ASSI { 1810}
   (( segid "    " and resid 147  and name HN  ))
   (( segid "    " and resid 148  and name HB1 ))
      4.400     2.500     1.600 peak  1810 spectrum    1 weight  0.10000E+01 volume  0.39767E-02 ppm1      7.466 ppm2      3.248 CV     1
 OR { 1810}
   (( segid "    " and resid 147  and name HN  ))
   (( segid "    " and resid 144  and name HD2 ))
 ASSI { 1811}
   (( segid "    " and resid 147  and name HN  ))
   (( segid "    " and resid 144  and name HB2 ))
      3.400     3.400     2.600 peak  1811 spectrum    1 weight  0.10000E+01 volume  0.57285E-03 ppm1      7.465 ppm2      2.116 CV     1
 OR { 1811}
   (( segid "    " and resid 147  and name HN  ))
   (( segid "    " and resid 142  and name HB1 ))
 ASSI { 1832}
   (( segid "    " and resid 145  and name HN  ))
   (( segid "    " and resid 144  and name HB1 ))
      2.500     0.800     0.800 peak  1832 spectrum    1 weight  0.10000E+01 volume  0.12207E-01 ppm1      6.772 ppm2      1.795 CV     1
 OR { 1832}
   (( segid "    " and resid 145  and name HN  ))
   (( segid "    " and resid 146  and name HB  ))
 ASSI { 1833}
   (( segid "    " and resid 145  and name HN  ))
   (( segid "    " and resid 144  and name HG2 ))
      3.800     1.800     1.800 peak  1833 spectrum    1 weight  0.10000E+01 volume  0.10039E-01 ppm1      6.773 ppm2      1.593 CV     1
 OR { 1833}
   (( segid "    " and resid 145  and name HN  ))
   (( segid "    " and resid 146  and name HG12))
 ASSI { 1839}
   (( segid "    " and resid 145  and name HN  ))
   (( segid "    " and resid 144  and name HD2 ))
      4.300     2.300     1.700 peak  1839 spectrum    1 weight  0.10000E+01 volume  0.20450E-02 ppm1      6.769 ppm2      3.283 CV     1
 OR { 1839}
   (( segid "    " and resid 145  and name HN  ))
   (( segid "    " and resid 148  and name HB1 ))
 ASSI { 1849}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 94   and name HB1 ))
      3.500     3.500     2.500 peak  1849 spectrum    1 weight  0.10000E+01 volume  0.11181E-01 ppm1      7.644 ppm2      1.565 CV     1
 OR { 1849}
   (( segid "    " and resid 80   and name HN  ))
   (  segid "    " and resid 21   and name HB% )
 OR { 1849}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 94   and name HB2 ))
 ASSI { 1854}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 79   and name HA  ))
      3.000     1.100     1.100 peak  1854 spectrum    1 weight  0.10000E+01 volume  0.14613E-01 ppm1      7.641 ppm2      4.172 CV     1
 OR { 1854}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 78   and name HA  ))
 ASSI { 1876}
   (( segid "    " and resid 144  and name HN  ))
   (( segid "    " and resid 133  and name HB2 ))
      3.400     1.500     1.500 peak  1876 spectrum    1 weight  0.10000E+01 volume  0.12202E-01 ppm1      9.588 ppm2      1.602 CV     1
 OR { 1876}
   (( segid "    " and resid 144  and name HN  ))
   (( segid "    " and resid 144  and name HG2 ))
 ASSI { 1878}
   (( segid "    " and resid 144  and name HN  ))
   (( segid "    " and resid 143  and name HG  ))
      3.500     1.600     1.600 peak  1878 spectrum    1 weight  0.10000E+01 volume  0.65716E-02 ppm1      9.587 ppm2      0.974 CV     1
 OR { 1878}
   (( segid "    " and resid 144  and name HN  ))
   (( segid "    " and resid 146  and name HG11))
 ASSI { 1883}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 18   and name HN  ))
      6.000     4.500     0.000 peak  1883 spectrum    1 weight  0.10000E+01 volume  0.51302E-03 ppm1      8.175 ppm2      8.718 CV     1
 OR { 1883}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 13   and name HN  ))
 ASSI { 1887}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 13   and name HA  ))
      3.700     1.700     1.700 peak  1887 spectrum    1 weight  0.10000E+01 volume  0.70159E-02 ppm1      8.171 ppm2      4.100 CV     1
 OR { 1887}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 16   and name HA  ))
 ASSI { 1899}
   (( segid "    " and resid 15   and name HN  ))
   (  segid "    " and resid 18   and name HG2%)
      6.000     5.000     0.000 peak  1899 spectrum    1 weight  0.10000E+01 volume  0.69933E-03 ppm1      8.174 ppm2      0.238 CV     1
 OR { 1899}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 54   and name HG  ))
 ASSI { 1914}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 33   and name HN  ))
      3.800     1.800     1.800 peak  1914 spectrum    1 weight  0.10000E+01 volume  0.48653E-02 ppm1      9.017 ppm2      9.228 CV     1
 OR { 1914}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 62   and name HN  ))
 ASSI { 1933}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 61   and name HB2 ))
      4.400     2.400     1.600 peak  1933 spectrum    1 weight  0.10000E+01 volume  0.58086E-02 ppm1      9.014 ppm2      1.770 CV     1
 OR { 1933}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 33   and name HB  ))
 OR { 1933}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 64   and name HB2 ))
 ASSI { 1934}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 28   and name HB  ))
      4.300     2.300     1.700 peak  1934 spectrum    1 weight  0.10000E+01 volume  0.55291E-02 ppm1      9.014 ppm2      1.562 CV     1
 OR { 1934}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 34   and name HB2 ))
 OR { 1934}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 5    and name HG11))
 ASSI { 1935}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 60   and name HG  ))
      2.800     1.000     1.000 peak  1935 spectrum    1 weight  0.10000E+01 volume  0.12082E-01 ppm1      9.016 ppm2      1.313 CV     1
 OR { 1935}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 61   and name HB1 ))
 ASSI { 1938}
   (( segid "    " and resid 119  and name HN  ))
   (( segid "    " and resid 117  and name HA  ))
      3.600     1.600     1.600 peak  1938 spectrum    1 weight  0.10000E+01 volume  0.74022E-02 ppm1      8.113 ppm2      5.059 CV     1
 OR { 1938}
   (( segid "    " and resid 119  and name HN  ))
   (( segid "    " and resid 120  and name HA  ))
 ASSI { 1947}
   (( segid "    " and resid 119  and name HN  ))
   (( segid "    " and resid 117  and name HB1 ))
      4.500     2.500     1.500 peak  1947 spectrum    1 weight  0.10000E+01 volume  0.25122E-02 ppm1      8.116 ppm2      0.882 CV     1
 OR { 1947}
   (( segid "    " and resid 119  and name HN  ))
   (( segid "    " and resid 121  and name HB2 ))
 ASSI { 1957}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 53   and name HA  ))
      4.100     2.100     1.900 peak  1957 spectrum    1 weight  0.10000E+01 volume  0.33001E-02 ppm1      7.982 ppm2      4.336 CV     1
 OR { 1957}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 14   and name HA  ))
 ASSI { 1959}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 44   and name HG1 ))
      4.300     2.300     1.700 peak  1959 spectrum    1 weight  0.10000E+01 volume  0.39399E-02 ppm1      7.987 ppm2      2.223 CV     1
 OR { 1959}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 55   and name HB2 ))
 OR { 1959}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 44   and name HG2 ))
 ASSI { 1961}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 10   and name HB2 ))
      4.800     2.800     1.200 peak  1961 spectrum    1 weight  0.10000E+01 volume  0.28696E-02 ppm1      7.985 ppm2      0.629 CV     1
 OR { 1961}
   (( segid "    " and resid 9    and name HN  ))
   (  segid "    " and resid 18   and name HG1%)
 ASSI { 1972}
   (( segid "    " and resid 148  and name HN  ))
   (( segid "    " and resid 145  and name HE22))
      3.500     3.500     2.500 peak  1972 spectrum    1 weight  0.10000E+01 volume  0.66133E-03 ppm1      7.569 ppm2      6.950 CV     1
 OR { 1972}
   (( segid "    " and resid 148  and name HN  ))
   (( segid "    " and resid 123  and name HN  ))
 ASSI { 1974}
   (( segid "    " and resid 148  and name HN  ))
   (( segid "    " and resid 150  and name HN  ))
      3.900     1.900     1.900 peak  1974 spectrum    1 weight  0.10000E+01 volume  0.37583E-02 ppm1      7.555 ppm2      7.861 CV     1
 OR { 1974}
   (( segid "    " and resid 148  and name HN  ))
   (( segid "    " and resid 146  and name HN  ))
 ASSI { 1978}
   (( segid "    " and resid 148  and name HN  ))
   (( segid "    " and resid 149  and name HA  ))
      5.100     3.300     0.900 peak  1978 spectrum    1 weight  0.10000E+01 volume  0.24899E-02 ppm1      7.552 ppm2      4.012 CV     1
 OR { 1978}
   (( segid "    " and resid 148  and name HN  ))
   (( segid "    " and resid 150  and name HA  ))
 ASSI { 1979}
   (( segid "    " and resid 148  and name HN  ))
   (( segid "    " and resid 147  and name HA  ))
      3.200     1.300     1.300 peak  1979 spectrum    1 weight  0.10000E+01 volume  0.54636E-02 ppm1      7.553 ppm2      3.671 CV     1
 OR { 1979}
   (( segid "    " and resid 148  and name HN  ))
   (( segid "    " and resid 146  and name HA  ))
 ASSI { 1985}
   (( segid "    " and resid 148  and name HN  ))
   (( segid "    " and resid 144  and name HG2 ))
      2.500     2.500     3.500 peak  1985 spectrum    1 weight  0.10000E+01 volume  0.34588E-02 ppm1      7.553 ppm2      1.585 CV     1
 OR { 1985}
   (( segid "    " and resid 148  and name HN  ))
   (( segid "    " and resid 146  and name HG12))
 ASSI { 1996}
   (( segid "    " and resid 94   and name HN  ))
   (( segid "    " and resid 83   and name HN  ))
      3.200     3.200     2.800 peak  1996 spectrum    1 weight  0.10000E+01 volume  0.14097E-02 ppm1      6.371 ppm2      8.210 CV     1
 OR { 1996}
   (( segid "    " and resid 94   and name HN  ))
   (( segid "    " and resid 74   and name HE21))
 ASSI { 2025}
   (( segid "    " and resid 125  and name HN  ))
   (( segid "    " and resid 125  and name HA  ))
      3.300     1.300     1.300 peak  2025 spectrum    1 weight  0.10000E+01 volume  0.34255E-02 ppm1      7.606 ppm2      3.804 CV     1
 OR { 2025}
   (( segid "    " and resid 125  and name HN  ))
   (( segid "    " and resid 119  and name HA  ))
 ASSI { 2027}
   (( segid "    " and resid 125  and name HN  ))
   (( segid "    " and resid 128  and name HB1 ))
      5.400     3.600     0.600 peak  2027 spectrum    1 weight  0.10000E+01 volume  0.85150E-03 ppm1      7.607 ppm2      1.254 CV     1
 OR { 2027}
   (( segid "    " and resid 125  and name HN  ))
   (( segid "    " and resid 150  and name HB2 ))
 ASSI { 2038}
   (( segid "    " and resid 108  and name HN  ))
   (( segid "    " and resid 113  and name HN  ))
      5.300     3.500     0.700 peak  2038 spectrum    1 weight  0.10000E+01 volume  0.23286E-02 ppm1      8.978 ppm2      9.385 CV     1
 OR { 2038}
   (( segid "    " and resid 108  and name HN  ))
   (( segid "    " and resid 106  and name HN  ))
 ASSI { 2047}
   (( segid "    " and resid 108  and name HN  ))
   (( segid "    " and resid 113  and name HA  ))
      3.500     3.500     2.500 peak  2047 spectrum    1 weight  0.10000E+01 volume  0.35747E-02 ppm1      8.982 ppm2      4.316 CV     1
 OR { 2047}
   (( segid "    " and resid 108  and name HN  ))
   (( segid "    " and resid 71   and name HA  ))
 ASSI { 2051}
   (( segid "    " and resid 108  and name HN  ))
   (  segid "    " and resid 112  and name HG2%)
      3.700     1.700     1.700 peak  2051 spectrum    1 weight  0.10000E+01 volume  0.61304E-02 ppm1      8.980 ppm2      1.446 CV     1
 OR { 2051}
   (( segid "    " and resid 108  and name HN  ))
   (( segid "    " and resid 106  and name HB  ))
 ASSI { 2053}
   (( segid "    " and resid 108  and name HN  ))
   (( segid "    " and resid 111  and name HB1 ))
      2.700     0.900     0.900 peak  2053 spectrum    1 weight  0.10000E+01 volume  0.15603E-01 ppm1      8.980 ppm2      0.931 CV     1
 OR { 2053}
   (( segid "    " and resid 108  and name HN  ))
   (  segid "    " and resid 106  and name HG2%)
 ASSI { 2086}
   (( segid "    " and resid 134  and name HN  ))
   (( segid "    " and resid 135  and name HA  ))
      4.500     2.500     1.500 peak  2086 spectrum    1 weight  0.10000E+01 volume  0.32055E-02 ppm1      8.280 ppm2      3.847 CV     1
 OR { 2086}
   (( segid "    " and resid 134  and name HN  ))
   (( segid "    " and resid 129  and name HA  ))
 ASSI { 2090}
   (( segid "    " and resid 134  and name HN  ))
   (( segid "    " and resid 134  and name HB2 ))
      3.000     1.100     1.100 peak  2090 spectrum    1 weight  0.10000E+01 volume  0.33943E-01 ppm1      8.280 ppm2      1.762 CV     1
 OR { 2090}
   (( segid "    " and resid 134  and name HN  ))
   (( segid "    " and resid 135  and name HB2 ))
 ASSI { 2098}
   (( segid "    " and resid 48   and name HE22))
   (( segid "    " and resid 47   and name HG2 ))
      5.300     3.500     0.700 peak  2098 spectrum    1 weight  0.10000E+01 volume  0.14807E-02 ppm1      7.777 ppm2      2.131 CV     1
 OR { 2098}
   (( segid "    " and resid 48   and name HE22))
   (( segid "    " and resid 51   and name HG2 ))
 OR { 2098}
   (( segid "    " and resid 48   and name HE22))
   (( segid "    " and resid 51   and name HB2 ))
 ASSI { 2099}
   (( segid "    " and resid 48   and name HE22))
   (( segid "    " and resid 48   and name HB1 ))
      4.700     2.800     1.300 peak  2099 spectrum    1 weight  0.10000E+01 volume  0.19602E-02 ppm1      7.775 ppm2      2.031 CV     1
 OR { 2099}
   (( segid "    " and resid 48   and name HE22))
   (( segid "    " and resid 50   and name HB1 ))
 OR { 2099}
   (( segid "    " and resid 48   and name HE22))
   (( segid "    " and resid 50   and name HB2 ))
 ASSI { 2100}
   (( segid "    " and resid 48   and name HE22))
   (( segid "    " and resid 46   and name HN  ))
      4.700     2.700     1.300 peak  2100 spectrum    1 weight  0.10000E+01 volume  0.22067E-02 ppm1      7.769 ppm2      8.575 CV     1
 OR { 2100}
   (( segid "    " and resid 48   and name HE22))
   (( segid "    " and resid 48   and name HN  ))
 ASSI { 2104}
   (( segid "    " and resid 48   and name HE22))
   (( segid "    " and resid 48   and name HB2 ))
      5.400     3.600     0.600 peak  2104 spectrum    1 weight  0.10000E+01 volume  0.15071E-02 ppm1      7.771 ppm2      2.283 CV     1
 OR { 2104}
   (( segid "    " and resid 48   and name HE22))
   (( segid "    " and resid 53   and name HB2 ))
 ASSI { 2108}
   (( segid "    " and resid 48   and name HE21))
   (( segid "    " and resid 48   and name HN  ))
      5.100     3.300     0.900 peak  2108 spectrum    1 weight  0.10000E+01 volume  0.95154E-03 ppm1      7.040 ppm2      8.569 CV     1
 OR { 2108}
   (( segid "    " and resid 48   and name HE21))
   (( segid "    " and resid 46   and name HN  ))
 ASSI { 2112}
   (( segid "    " and resid 48   and name HE21))
   (( segid "    " and resid 90   and name HA2 ))
      4.300     2.400     1.700 peak  2112 spectrum    1 weight  0.10000E+01 volume  0.28022E-02 ppm1      7.039 ppm2      4.313 CV     1
 OR { 2112}
   (( segid "    " and resid 48   and name HE21))
   (( segid "    " and resid 48   and name HA  ))
 ASSI { 2114}
   (( segid "    " and resid 48   and name HE21))
   (( segid "    " and resid 50   and name HB1 ))
      5.200     3.400     0.800 peak  2114 spectrum    1 weight  0.10000E+01 volume  0.12643E-02 ppm1      7.041 ppm2      1.998 CV     1
 OR { 2114}
   (( segid "    " and resid 48   and name HE21))
   (( segid "    " and resid 50   and name HB2 ))
 OR { 2114}
   (( segid "    " and resid 48   and name HE21))
   (( segid "    " and resid 47   and name HG1 ))
 ASSI { 2122}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 29   and name HB2 ))
      3.400     1.500     1.500 peak  2122 spectrum    1 weight  0.10000E+01 volume  0.15031E-01 ppm1      8.934 ppm2      2.398 CV     1
 OR { 2122}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 30   and name HB1 ))
 ASSI { 2125}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 64   and name HG  ))
      4.300     2.300     1.700 peak  2125 spectrum    1 weight  0.10000E+01 volume  0.51964E-02 ppm1      8.932 ppm2      0.743 CV     1
 OR { 2125}
   (( segid "    " and resid 30   and name HN  ))
   (  segid "    " and resid 60   and name HD1%)
 ASSI { 2171}
   (( segid "    " and resid 128  and name HN  ))
   (( segid "    " and resid 127  and name HD2 ))
      2.500     0.800     0.800 peak  2171 spectrum    1 weight  0.10000E+01 volume  0.78134E-02 ppm1      6.568 ppm2      3.214 CV     1
 OR { 2171}
   (( segid "    " and resid 128  and name HN  ))
   (( segid "    " and resid 129  and name HB2 ))
 ASSI { 2173}
   (( segid "    " and resid 128  and name HN  ))
   (( segid "    " and resid 127  and name HB1 ))
      4.000     2.000     2.000 peak  2173 spectrum    1 weight  0.10000E+01 volume  0.54244E-02 ppm1      6.568 ppm2      2.702 CV     1
 OR { 2173}
   (( segid "    " and resid 128  and name HN  ))
   (( segid "    " and resid 4    and name HB1 ))
 ASSI { 2174}
   (( segid "    " and resid 128  and name HN  ))
   (( segid "    " and resid 128  and name HB2 ))
      2.100     0.500     0.500 peak  2174 spectrum    1 weight  0.10000E+01 volume  0.25077E-01 ppm1      6.569 ppm2      2.032 CV     1
 OR { 2174}
   (( segid "    " and resid 128  and name HN  ))
   (( segid "    " and resid 127  and name HG2 ))
 ASSI { 2175}
   (( segid "    " and resid 128  and name HN  ))
   (( segid "    " and resid 127  and name HG1 ))
      4.200     2.200     1.800 peak  2175 spectrum    1 weight  0.10000E+01 volume  0.61594E-02 ppm1      6.571 ppm2      1.562 CV     1
 OR { 2175}
   (( segid "    " and resid 128  and name HN  ))
   (( segid "    " and resid 133  and name HB2 ))
 ASSI { 2176}
   (( segid "    " and resid 128  and name HN  ))
   (( segid "    " and resid 143  and name HG  ))
      3.800     1.800     1.800 peak  2176 spectrum    1 weight  0.10000E+01 volume  0.10125E-01 ppm1      6.569 ppm2      0.971 CV     1
 OR { 2176}
   (( segid "    " and resid 128  and name HN  ))
   (( segid "    " and resid 125  and name HB2 ))
 ASSI { 2179}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 70   and name HG  ))
      5.900     4.300     0.100 peak  2179 spectrum    1 weight  0.10000E+01 volume  0.46240E-03 ppm1      9.349 ppm2      1.346 CV     1
 OR { 2179}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 69   and name HB1 ))
 ASSI { 2183}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 72   and name HN  ))
      2.500     0.800     0.800 peak  2183 spectrum    1 weight  0.10000E+01 volume  0.16699E-01 ppm1      9.344 ppm2      7.772 CV     1
 OR { 2183}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 71   and name HN  ))
 ASSI { 2189}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 73   and name HA  ))
      2.800     1.000     1.000 peak  2189 spectrum    1 weight  0.10000E+01 volume  0.11674E-01 ppm1      9.343 ppm2      4.346 CV     1
 OR { 2189}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 71   and name HA  ))
 ASSI { 2192}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 72   and name HB2 ))
      3.000     1.100     1.100 peak  2192 spectrum    1 weight  0.10000E+01 volume  0.12201E-01 ppm1      9.343 ppm2      2.960 CV     1
 OR { 2192}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 74   and name HG2 ))
 ASSI { 2193}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 71   and name HB1 ))
      4.100     2.100     1.900 peak  2193 spectrum    1 weight  0.10000E+01 volume  0.67856E-03 ppm1      9.344 ppm2      2.602 CV     1
 OR { 2193}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 77   and name HB1 ))
 OR { 2193}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 79   and name HG2 ))
 ASSI { 2194}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 68   and name HG2 ))
      3.200     3.200     2.800 peak  2194 spectrum    1 weight  0.10000E+01 volume  0.96358E-03 ppm1      9.343 ppm2      2.407 CV     1
 OR { 2194}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 68   and name HG1 ))
 OR { 2194}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 104  and name HB2 ))
 ASSI { 2196}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 70   and name HB2 ))
      4.100     2.100     1.900 peak  2196 spectrum    1 weight  0.10000E+01 volume  0.70567E-02 ppm1      9.344 ppm2      1.886 CV     1
 OR { 2196}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 76   and name HB  ))
 OR { 2196}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 98   and name HG11))
 ASSI { 2197}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 75   and name HG2 ))
      4.500     2.600     1.500 peak  2197 spectrum    1 weight  0.10000E+01 volume  0.48274E-02 ppm1      9.342 ppm2      1.605 CV     1
 OR { 2197}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 5    and name HG12))
 OR { 2197}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 5    and name HG11))
 OR { 2197}
   (( segid "    " and resid 73   and name HN  ))
   (  segid "    " and resid 24   and name HB% )
 ASSI { 2199}
   (( segid "    " and resid 73   and name HN  ))
   (  segid "    " and resid 28   and name HD1%)
      2.700     2.700     3.300 peak  2199 spectrum    1 weight  0.10000E+01 volume  0.28094E-01 ppm1      9.343 ppm2      0.794 CV     1
 OR { 2199}
   (( segid "    " and resid 73   and name HN  ))
   (  segid "    " and resid 98   and name HG2%)
 ASSI { 2217}
   (( segid "    " and resid 107  and name HD21))
   (  segid "    " and resid 105  and name HG1%)
      3.600     1.600     1.600 peak  2217 spectrum    1 weight  0.10000E+01 volume  0.81880E-02 ppm1      7.817 ppm2      1.039 CV     1
 OR { 2217}
   (( segid "    " and resid 107  and name HD21))
   (( segid "    " and resid 111  and name HG  ))
 OR { 2217}
   (( segid "    " and resid 107  and name HD21))
   (  segid "    " and resid 105  and name HG2%)
 ASSI { 2221}
   (( segid "    " and resid 107  and name HD22))
   (( segid "    " and resid 106  and name HA  ))
      6.000     5.300     0.000 peak  2221 spectrum    1 weight  0.10000E+01 volume  0.47278E-03 ppm1      6.802 ppm2      4.303 CV     1
 OR { 2221}
   (( segid "    " and resid 107  and name HD22))
   (( segid "    " and resid 113  and name HA  ))
 ASSI { 2223}
   (( segid "    " and resid 107  and name HD22))
   (  segid "    " and resid 112  and name HG2%)
      5.000     3.100     1.000 peak  2223 spectrum    1 weight  0.10000E+01 volume  0.24122E-02 ppm1      6.803 ppm2      1.450 CV     1
 OR { 2223}
   (( segid "    " and resid 107  and name HD22))
   (( segid "    " and resid 106  and name HB  ))
 ASSI { 2224}
   (( segid "    " and resid 107  and name HD22))
   (  segid "    " and resid 105  and name HG1%)
      3.300     1.400     1.400 peak  2224 spectrum    1 weight  0.10000E+01 volume  0.89581E-02 ppm1      6.802 ppm2      1.044 CV     1
 OR { 2224}
   (( segid "    " and resid 107  and name HD22))
   (  segid "    " and resid 105  and name HG2%)
 OR { 2224}
   (( segid "    " and resid 107  and name HD22))
   (( segid "    " and resid 111  and name HG  ))
 ASSI { 2231}
   (( segid "    " and resid 107  and name HD21))
   (( segid "    " and resid 106  and name HA  ))
      5.100     3.200     0.900 peak  2231 spectrum    1 weight  0.10000E+01 volume  0.86374E-03 ppm1      7.814 ppm2      4.313 CV     1
 OR { 2231}
   (( segid "    " and resid 107  and name HD21))
   (( segid "    " and resid 113  and name HA  ))
 ASSI { 2232}
   (( segid "    " and resid 107  and name HD21))
   (  segid "    " and resid 112  and name HG2%)
      3.900     1.900     1.900 peak  2232 spectrum    1 weight  0.10000E+01 volume  0.56489E-02 ppm1      7.816 ppm2      1.457 CV     1
 OR { 2232}
   (( segid "    " and resid 107  and name HD21))
   (( segid "    " and resid 106  and name HB  ))
 ASSI { 2261}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 71   and name HN  ))
      4.300     2.300     1.700 peak  2261 spectrum    1 weight  0.10000E+01 volume  0.40505E-02 ppm1      8.735 ppm2      7.806 CV     1
 OR { 2261}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 72   and name HN  ))
 ASSI { 2285}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 50   and name HB1 ))
      6.000     4.800     0.000 peak  2285 spectrum    1 weight  0.10000E+01 volume  0.44524E-03 ppm1      8.563 ppm2      2.033 CV     1
 OR { 2285}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 50   and name HB2 ))
 OR { 2285}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 47   and name HG1 ))
 ASSI { 2327}
   (( segid "    " and resid 149  and name HN  ))
   (( segid "    " and resid 147  and name HA  ))
      3.300     1.400     1.400 peak  2327 spectrum    1 weight  0.10000E+01 volume  0.65873E-02 ppm1      8.358 ppm2      3.663 CV     1
 OR { 2327}
   (( segid "    " and resid 149  and name HN  ))
   (( segid "    " and resid 146  and name HA  ))
 ASSI { 2363}
   (( segid "    " and resid 100  and name HN  ))
   (( segid "    " and resid 4    and name HN  ))
      2.900     1.100     1.100 peak  2363 spectrum    1 weight  0.10000E+01 volume  0.72776E-02 ppm1      7.522 ppm2      8.647 CV     1
 OR { 2363}
   (( segid "    " and resid 100  and name HN  ))
   (( segid "    " and resid 115  and name HN  ))
 ASSI { 2366}
   (( segid "    " and resid 100  and name HN  ))
   (( segid "    " and resid 114  and name HD1 ))
      3.700     1.700     1.700 peak  2366 spectrum    1 weight  0.10000E+01 volume  0.44915E-02 ppm1      7.523 ppm2      4.166 CV     1
 OR { 2366}
   (( segid "    " and resid 100  and name HN  ))
   (( segid "    " and resid 98   and name HA  ))
 ASSI { 2369}
   (( segid "    " and resid 100  and name HN  ))
   (( segid "    " and resid 98   and name HB  ))
      3.900     1.900     1.900 peak  2369 spectrum    1 weight  0.10000E+01 volume  0.91703E-02 ppm1      7.523 ppm2      2.093 CV     1
 OR { 2369}
   (( segid "    " and resid 100  and name HN  ))
   (( segid "    " and resid 114  and name HB1 ))
 ASSI { 2373}
   (( segid "    " and resid 100  and name HN  ))
   (  segid "    " and resid 3    and name HB% )
      4.200     2.200     1.800 peak  2373 spectrum    1 weight  0.10000E+01 volume  0.52993E-02 ppm1      7.522 ppm2      1.204 CV     1
 OR { 2373}
   (( segid "    " and resid 100  and name HN  ))
   (  segid "    " and resid 113  and name HG2%)
 ASSI { 2389}
   (( segid "    " and resid 71   and name HD22))
   (( segid "    " and resid 71   and name HA  ))
      4.400     2.400     1.600 peak  2389 spectrum    1 weight  0.10000E+01 volume  0.53517E-02 ppm1      7.203 ppm2      4.339 CV     1
 OR { 2389}
   (( segid "    " and resid 71   and name HD22))
   (( segid "    " and resid 68   and name HA  ))
 ASSI { 2409}
   (( segid "    " and resid 50   and name HE21))
   (( segid "    " and resid 50   and name HB1 ))
      3.800     1.800     1.800 peak  2409 spectrum    1 weight  0.10000E+01 volume  0.94586E-02 ppm1      8.303 ppm2      2.009 CV     1
 OR { 2409}
   (( segid "    " and resid 50   and name HE21))
   (( segid "    " and resid 50   and name HB2 ))
 OR { 2409}
   (( segid "    " and resid 50   and name HE21))
   (( segid "    " and resid 47   and name HG1 ))
 ASSI { 2410}
   (( segid "    " and resid 50   and name HE21))
   (( segid "    " and resid 47   and name HB2 ))
      6.000     5.500     0.000 peak  2410 spectrum    1 weight  0.10000E+01 volume  0.43844E-03 ppm1      8.297 ppm2      1.841 CV     1
 OR { 2410}
   (( segid "    " and resid 50   and name HE21))
   (( segid "    " and resid 91   and name HB2 ))
 OR { 2410}
   (( segid "    " and resid 50   and name HE21))
   (( segid "    " and resid 91   and name HB1 ))
 ASSI { 2411}
   (( segid "    " and resid 71   and name HD21))
   (( segid "    " and resid 71   and name HA  ))
      3.300     1.400     1.400 peak  2411 spectrum    1 weight  0.10000E+01 volume  0.90948E-02 ppm1      7.451 ppm2      4.339 CV     1
 OR { 2411}
   (( segid "    " and resid 71   and name HD21))
   (( segid "    " and resid 68   and name HA  ))
 ASSI { 2425}
   (( segid "    " and resid 50   and name HE22))
   (( segid "    " and resid 50   and name HB1 ))
      3.400     1.500     1.500 peak  2425 spectrum    1 weight  0.10000E+01 volume  0.13055E-01 ppm1      7.123 ppm2      2.025 CV     1
 OR { 2425}
   (( segid "    " and resid 50   and name HE22))
   (( segid "    " and resid 48   and name HB1 ))
 OR { 2425}
   (( segid "    " and resid 50   and name HE22))
   (( segid "    " and resid 47   and name HG1 ))
 ASSI { 2428}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 37   and name HN  ))
      4.200     2.200     1.800 peak  2428 spectrum    1 weight  0.10000E+01 volume  0.35048E-02 ppm1      9.301 ppm2      9.138 CV     1
 OR { 2428}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 40   and name HN  ))
 ASSI { 2430}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 127  and name HB1 ))
      5.500     3.800     0.500 peak  2430 spectrum    1 weight  0.10000E+01 volume  0.75669E-03 ppm1      9.301 ppm2      2.693 CV     1
 OR { 2430}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 40   and name HB1 ))
 ASSI { 2445}
   (( segid "    " and resid 145  and name HE21))
   (( segid "    " and resid 145  and name HB1 ))
      2.400     2.400     3.600 peak  2445 spectrum    1 weight  0.10000E+01 volume  0.35237E-02 ppm1      7.584 ppm2      2.281 CV     1
 OR { 2445}
   (( segid "    " and resid 145  and name HE21))
   (( segid "    " and resid 141  and name HG1 ))
 OR { 2445}
   (( segid "    " and resid 145  and name HE21))
   (( segid "    " and resid 145  and name HB2 ))
 ASSI { 2448}
   (( segid "    " and resid 145  and name HE21))
   (( segid "    " and resid 141  and name HB1 ))
      6.000     6.000     0.000 peak  2448 spectrum    1 weight  0.10000E+01 volume  0.13858E-03 ppm1      7.584 ppm2      1.799 CV     1
 OR { 2448}
   (( segid "    " and resid 145  and name HE21))
   (( segid "    " and resid 146  and name HB  ))
 ASSI { 2452}
   (( segid "    " and resid 145  and name HE22))
   (( segid "    " and resid 142  and name HA  ))
      4.200     2.200     1.800 peak  2452 spectrum    1 weight  0.10000E+01 volume  0.90840E-02 ppm1      6.947 ppm2      4.803 CV     1
 OR { 2452}
   (( segid "    " and resid 123  and name HN  ))
   (( segid "    " and resid 126  and name HA  ))
 ASSI { 2482}
   (( segid "    " and resid 145  and name HE22))
   (( segid "    " and resid 141  and name HB1 ))
      6.000     5.000     0.000 peak  2482 spectrum    1 weight  0.10000E+01 volume  0.41836E-03 ppm1      6.950 ppm2      1.809 CV     1
 OR { 2482}
   (( segid "    " and resid 145  and name HE22))
   (( segid "    " and resid 146  and name HB  ))
 ASSI { 2484}
   (( segid "    " and resid 123  and name HN  ))
   (  segid "    " and resid 155  and name HD1%)
      4.400     2.400     1.600 peak  2484 spectrum    1 weight  0.10000E+01 volume  0.44033E-02 ppm1      6.940 ppm2      0.482 CV     1
 OR { 2484}
   (( segid "    " and resid 145  and name HE22))
   (  segid "    " and resid 146  and name HD1%)
 OR { 2484}
   (( segid "    " and resid 123  and name HN  ))
   (  segid "    " and resid 155  and name HD2%)
 OR { 2484}
   (( segid "    " and resid 145  and name HE22))
   (  segid "    " and resid 125  and name HD1%)
 OR { 2484}
   (( segid "    " and resid 145  and name HE22))
   (  segid "    " and resid 125  and name HD2%)
 ASSI { 2491}
   (( segid "    " and resid 123  and name HN  ))
   (( segid "    " and resid 125  and name HA  ))
      6.000     5.700     0.000 peak  2491 spectrum    1 weight  0.10000E+01 volume  0.49659E-03 ppm1      6.936 ppm2      3.824 CV     1
 OR { 2491}
   (( segid "    " and resid 123  and name HN  ))
   (( segid "    " and resid 119  and name HA  ))
 OR { 2491}
   (( segid "    " and resid 145  and name HE22))
   (( segid "    " and resid 119  and name HA  ))
 ASSI { 2496}
   (( segid "    " and resid 123  and name HN  ))
   (( segid "    " and resid 154  and name HB2 ))
      4.100     2.100     1.900 peak  2496 spectrum    1 weight  0.10000E+01 volume  0.57156E-02 ppm1      6.939 ppm2      1.414 CV     1
 OR { 2496}
   (( segid "    " and resid 123  and name HN  ))
   (( segid "    " and resid 155  and name HB2 ))
 OR { 2496}
   (( segid "    " and resid 123  and name HN  ))
   (( segid "    " and resid 154  and name HB1 ))
 OR { 2496}
   (( segid "    " and resid 123  and name HN  ))
   (( segid "    " and resid 155  and name HB1 ))
 ASSI { 2504}
   (( segid "    " and resid 139  and name HN  ))
   (( segid "    " and resid 139  and name HA  ))
      2.700     0.900     0.900 peak  2504 spectrum    1 weight  0.10000E+01 volume  0.25408E-01 ppm1      7.539 ppm2      4.497 CV     1
 OR { 2504}
   (( segid "    " and resid 139  and name HN  ))
   (( segid "    " and resid 138  and name HA  ))
 ASSI { 2522}
   (( segid "    " and resid 79   and name HE21))
   (( segid "    " and resid 79   and name HG1 ))
      3.100     1.200     1.200 peak  2522 spectrum    1 weight  0.10000E+01 volume  0.11436E-01 ppm1      6.981 ppm2      2.665 CV     1
 OR { 2522}
   (( segid "    " and resid 103  and name HD22))
   (( segid "    " and resid 103  and name HB1 ))
 ASSI { 2532}
   (( segid "    " and resid 79   and name HE22))
   (( segid "    " and resid 79   and name HA  ))
      3.000     3.000     3.000 peak  2532 spectrum    1 weight  0.10000E+01 volume  0.13230E-02 ppm1      7.795 ppm2      4.183 CV     1
 OR { 2532}
   (( segid "    " and resid 79   and name HE22))
   (( segid "    " and resid 20   and name HA  ))
 ASSI { 2534}
   (( segid "    " and resid 79   and name HE22))
   (  segid "    " and resid 28   and name HD1%)
      2.500     2.500     3.500 peak  2534 spectrum    1 weight  0.10000E+01 volume  0.32698E-02 ppm1      7.799 ppm2      0.822 CV     1
 OR { 2534}
   (( segid "    " and resid 79   and name HE22))
   (  segid "    " and resid 76   and name HG2%)
 ASSI { 2555}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 58   and name HB  ))
      5.800     4.200     0.200 peak  2555 spectrum    1 weight  0.10000E+01 volume  0.64498E-03 ppm1      7.320 ppm2      1.967 CV     1
 OR { 2555}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 36   and name HB  ))
 OR { 2555}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 61   and name HG2 ))
 ASSI { 2558}
   (( segid "    " and resid 35   and name HN  ))
   (  segid "    " and resid 35   and name HG2%)
      2.700     0.900     0.900 peak  2558 spectrum    1 weight  0.10000E+01 volume  0.25671E-01 ppm1      7.319 ppm2      1.259 CV     1
 OR { 2558}
   (( segid "    " and resid 35   and name HN  ))
   (  segid "    " and resid 59   and name HB% )
 ASSI { 2560}
   (( segid "    " and resid 35   and name HN  ))
   (  segid "    " and resid 33   and name HG2%)
      2.800     1.000     1.000 peak  2560 spectrum    1 weight  0.10000E+01 volume  0.40872E-01 ppm1      7.320 ppm2      0.791 CV     1
 OR { 2560}
   (( segid "    " and resid 35   and name HN  ))
   (  segid "    " and resid 34   and name HD2%)
 OR { 2560}
   (( segid "    " and resid 35   and name HN  ))
   (  segid "    " and resid 34   and name HD1%)
 ASSI { 2578}
   (( segid "    " and resid 120  and name HN  ))
   (( segid "    " and resid 119  and name HN  ))
      2.500     0.800     0.800 peak  2578 spectrum    1 weight  0.10000E+01 volume  0.15301E-01 ppm1      7.417 ppm2      8.112 CV     1
 OR { 2578}
   (( segid "    " and resid 120  and name HN  ))
   (( segid "    " and resid 120  and name HD21))
 ASSI { 2582}
   (( segid "    " and resid 120  and name HN  ))
   (( segid "    " and resid 120  and name HB1 ))
      3.300     1.300     1.300 peak  2582 spectrum    1 weight  0.10000E+01 volume  0.10372E-01 ppm1      7.417 ppm2      2.994 CV     1
 OR { 2582}
   (( segid "    " and resid 120  and name HN  ))
   (( segid "    " and resid 150  and name HD2 ))
 ASSI { 2586}
   (( segid "    " and resid 120  and name HN  ))
   (( segid "    " and resid 121  and name HG1 ))
      4.700     2.800     1.300 peak  2586 spectrum    1 weight  0.10000E+01 volume  0.21102E-02 ppm1      7.416 ppm2      0.733 CV     1
 OR { 2586}
   (( segid "    " and resid 120  and name HN  ))
   (  segid "    " and resid 146  and name HG2%)
 ASSI { 2599}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 30   and name HB1 ))
      4.000     2.000     2.000 peak  2599 spectrum    1 weight  0.10000E+01 volume  0.66574E-02 ppm1      7.269 ppm2      2.403 CV     1
 OR { 2599}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 29   and name HB2 ))
 ASSI { 2608}
   (( segid "    " and resid 31   and name HN  ))
   (  segid "    " and resid 64   and name HD2%)
      4.200     2.200     1.800 peak  2608 spectrum    1 weight  0.10000E+01 volume  0.86769E-02 ppm1      7.270 ppm2      0.707 CV     1
 OR { 2608}
   (( segid "    " and resid 31   and name HN  ))
   (  segid "    " and resid 60   and name HD2%)
 ASSI { 2645}
   (( segid "    " and resid 17   and name HE21))
   (  segid "    " and resid 12   and name HB% )
      3.000     1.100     1.100 peak  2645 spectrum    1 weight  0.10000E+01 volume  0.10510E-01 ppm1      7.712 ppm2      1.233 CV     1
 OR { 2645}
   (( segid "    " and resid 17   and name HE21))
   (  segid "    " and resid 93   and name HG2%)
 ASSI { 2677}
   (( segid "    " and resid 140  and name HN  ))
   (( segid "    " and resid 141  and name HG1 ))
      6.000     5.200     0.000 peak  2677 spectrum    1 weight  0.10000E+01 volume  0.95775E-03 ppm1      8.372 ppm2      2.292 CV     1
 OR { 2677}
   (( segid "    " and resid 140  and name HN  ))
   (( segid "    " and resid 145  and name HB1 ))
 OR { 2677}
   (( segid "    " and resid 140  and name HN  ))
   (( segid "    " and resid 145  and name HB2 ))
 ASSI { 2680}
   (( segid "    " and resid 140  and name HN  ))
   (( segid "    " and resid 138  and name HB2 ))
      3.100     3.100     2.900 peak  2680 spectrum    1 weight  0.10000E+01 volume  0.38494E-02 ppm1      8.376 ppm2      1.825 CV     1
 OR { 2680}
   (( segid "    " and resid 140  and name HN  ))
   (( segid "    " and resid 146  and name HB  ))
 OR { 2680}
   (( segid "    " and resid 140  and name HN  ))
   (( segid "    " and resid 144  and name HB1 ))
 ASSI { 2687}
   (( segid "    " and resid 10   and name HD21))
   (( segid "    " and resid 48   and name HB1 ))
      4.600     2.600     1.400 peak  2687 spectrum    1 weight  0.10000E+01 volume  0.37859E-02 ppm1      6.476 ppm2      2.054 CV     1
 OR { 2687}
   (( segid "    " and resid 10   and name HD21))
   (( segid "    " and resid 43   and name HB2 ))
 ASSI { 2702}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 14   and name HG2 ))
      4.800     2.900     1.200 peak  2702 spectrum    1 weight  0.10000E+01 volume  0.55182E-02 ppm1      8.704 ppm2      2.174 CV     1
 OR { 2702}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 17   and name HB2 ))
 OR { 2702}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 16   and name HB1 ))
 ASSI { 2723}
   (( segid "    " and resid 80   and name HE22))
   (( segid "    " and resid 21   and name HA  ))
      3.200     3.200     2.800 peak  2723 spectrum    1 weight  0.10000E+01 volume  0.78317E-03 ppm1      7.450 ppm2      4.126 CV     1
 OR { 2723}
   (( segid "    " and resid 80   and name HE22))
   (( segid "    " and resid 16   and name HA  ))
 OR { 2723}
   (( segid "    " and resid 80   and name HE22))
   (( segid "    " and resid 13   and name HB2 ))
 ASSI { 2725}
   (( segid "    " and resid 80   and name HE22))
   (( segid "    " and resid 80   and name HB2 ))
      4.300     2.400     1.700 peak  2725 spectrum    1 weight  0.10000E+01 volume  0.29597E-02 ppm1      7.451 ppm2      2.866 CV     1
 OR { 2725}
   (( segid "    " and resid 80   and name HE22))
   (( segid "    " and resid 19   and name HB2 ))
 ASSI { 2735}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 80   and name HB1 ))
      3.400     1.400     1.400 peak  2735 spectrum    1 weight  0.10000E+01 volume  0.65758E-02 ppm1      7.931 ppm2      1.786 CV     1
 OR { 2735}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 82   and name HG2 ))
 ASSI { 2741}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 79   and name HB2 ))
      4.200     2.200     1.800 peak  2741 spectrum    1 weight  0.10000E+01 volume  0.50361E-02 ppm1      7.928 ppm2      2.256 CV     1
 OR { 2741}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 80   and name HG2 ))
 ASSI { 2744}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 78   and name HG  ))
      4.600     2.600     1.400 peak  2744 spectrum    1 weight  0.10000E+01 volume  0.37807E-02 ppm1      7.928 ppm2      0.985 CV     1
 OR { 2744}
   (( segid "    " and resid 81   and name HN  ))
   (  segid "    " and resid 83   and name HG2%)
 ASSI { 2759}
   (( segid "    " and resid 131  and name HN  ))
   (  segid "    " and resid 132  and name HB% )
      4.600     2.600     1.400 peak  2759 spectrum    1 weight  0.10000E+01 volume  0.51887E-02 ppm1      6.932 ppm2      1.005 CV     1
 OR { 2759}
   (( segid "    " and resid 131  and name HN  ))
   (  segid "    " and resid 58   and name HG1%)
 ASSI { 2775}
   (( segid "    " and resid 90   and name HN  ))
   (( segid "    " and resid 47   and name HG1 ))
      3.700     1.700     1.700 peak  2775 spectrum    1 weight  0.10000E+01 volume  0.36362E-02 ppm1      7.885 ppm2      2.004 CV     1
 OR { 2775}
   (( segid "    " and resid 90   and name HN  ))
   (( segid "    " and resid 87   and name HB1 ))
 ASSI { 2796}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 27   and name HA  ))
      5.600     4.000     0.400 peak  2796 spectrum    1 weight  0.10000E+01 volume  0.16391E-02 ppm1      7.502 ppm2      4.945 CV     1
 OR { 2796}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 32   and name HA  ))
 ASSI { 2799}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 25   and name HB1 ))
      3.600     1.600     1.600 peak  2799 spectrum    1 weight  0.10000E+01 volume  0.87546E-02 ppm1      7.502 ppm2      2.123 CV     1
 OR { 2799}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 76   and name HG12))
 ASSI { 2800}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 23   and name HB1 ))
      2.800     2.800     3.200 peak  2800 spectrum    1 weight  0.10000E+01 volume  0.58734E-02 ppm1      7.503 ppm2      1.969 CV     1
 OR { 2800}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 23   and name HB2 ))
 OR { 2800}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 58   and name HB  ))
 OR { 2800}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 36   and name HB  ))
 OR { 2800}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 29   and name HG1 ))
 ASSI { 2802}
   (( segid "    " and resid 26   and name HN  ))
   (  segid "    " and resid 24   and name HB% )
      3.800     1.800     1.800 peak  2802 spectrum    1 weight  0.10000E+01 volume  0.75024E-02 ppm1      7.503 ppm2      1.570 CV     1
 OR { 2802}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 28   and name HB  ))
 ASSI { 2806}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 8    and name HA2 ))
      2.500     0.800     0.800 peak  2806 spectrum    1 weight  0.10000E+01 volume  0.11936E-01 ppm1      7.986 ppm2      4.154 CV     1
 OR { 2806}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 9    and name HA  ))
 ASSI { 2807}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 14   and name HG2 ))
      3.800     1.800     1.800 peak  2807 spectrum    1 weight  0.10000E+01 volume  0.57478E-02 ppm1      8.173 ppm2      2.170 CV     1
 OR { 2807}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 16   and name HB1 ))
 ASSI {    5}
   (( segid "    " and resid 37   and name HB1 ))
   (  segid "    " and resid 57   and name HB% )
      6.000     4.500     0.000 peak     5 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.131 ppm2      1.374 CV     1
 OR {    5}
   (( segid "    " and resid 37   and name HB1 ))
   (  segid "    " and resid 36   and name HG2%)
 ASSI {   26}
   (( segid "    " and resid 114  and name HA  ))
   (( segid "    " and resid 114  and name HG2 ))
      6.000     4.500     0.000 peak    26 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.466 ppm2      2.000 CV     1
 OR {   26}
   (( segid "    " and resid 114  and name HA  ))
   (( segid "    " and resid 100  and name HB2 ))
 ASSI {   49}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 44   and name HD2 ))
      6.000     4.500     0.000 peak    49 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.122 ppm2      3.844 CV     1
 OR {   49}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 43   and name HD1 ))
 ASSI {   50}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 43   and name HG2 ))
      6.000     4.500     0.000 peak    50 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.119 ppm2      2.197 CV     1
 OR {   50}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 43   and name HG1 ))
 OR {   50}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 44   and name HG1 ))
 OR {   50}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 44   and name HG2 ))
 ASSI {   71}
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 40   and name HB2 ))
      6.000     4.500     0.000 peak    71 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.254 ppm2      3.054 CV     1
 OR {   71}
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 158  and name HB2 ))
 ASSI {   89}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 64   and name HB2 ))
      6.000     4.500     0.000 peak    89 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.955 ppm2      1.783 CV     1
 OR {   89}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 61   and name HB2 ))
 ASSI {  100}
   (( segid "    " and resid 4    and name HA  ))
   (( segid "    " and resid 5    and name HB  ))
      6.000     4.500     0.000 peak   100 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.577 ppm2      1.784 CV     1
 OR {  100}
   (( segid "    " and resid 4    and name HA  ))
   (( segid "    " and resid 100  and name HB1 ))
 ASSI {  101}
   (( segid "    " and resid 4    and name HA  ))
   (( segid "    " and resid 5    and name HG11))
      6.000     4.500     0.000 peak   101 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.577 ppm2      1.604 CV     1
 OR {  101}
   (( segid "    " and resid 4    and name HA  ))
   (( segid "    " and resid 5    and name HG12))
 OR {  101}
   (( segid "    " and resid 4    and name HA  ))
   (( segid "    " and resid 100  and name HG  ))
 ASSI {  102}
   (( segid "    " and resid 4    and name HA  ))
   (  segid "    " and resid 3    and name HB% )
      6.000     4.500     0.000 peak   102 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.575 ppm2      1.241 CV     1
 OR {  102}
   (( segid "    " and resid 4    and name HA  ))
   (  segid "    " and resid 59   and name HB% )
 OR {  102}
   (( segid "    " and resid 4    and name HA  ))
   (( segid "    " and resid 128  and name HB1 ))
 ASSI {  105}
   (( segid "    " and resid 4    and name HA  ))
   (  segid "    " and resid 2    and name HG2%)
      6.000     6.000     0.000 peak   105 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.575 ppm2      0.125 CV     1
 OR {  105}
   (( segid "    " and resid 4    and name HA  ))
   (  segid "    " and resid 135  and name HD2%)
 ASSI {  108}
   (( segid "    " and resid 4    and name HA  ))
   (  segid "    " and resid 58   and name HG2%)
      6.000     4.500     0.000 peak   108 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.571 ppm2      1.006 CV     1
 OR {  108}
   (( segid "    " and resid 4    and name HA  ))
   (  segid "    " and resid 132  and name HB% )
 OR {  108}
   (( segid "    " and resid 4    and name HA  ))
   (  segid "    " and resid 58   and name HG1%)
 ASSI {  122}
   (( segid "    " and resid 54   and name HA  ))
   (( segid "    " and resid 54   and name HG  ))
      6.000     4.500     0.000 peak   122 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.484 ppm2      0.233 CV     1
 OR {  122}
   (( segid "    " and resid 54   and name HA  ))
   (  segid "    " and resid 18   and name HG2%)
 ASSI {  131}
   (( segid "    " and resid 41   and name HA  ))
   (( segid "    " and resid 158  and name HB1 ))
      6.000     4.500     0.000 peak   131 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.097 ppm2      2.809 CV     1
 OR {  131}
   (( segid "    " and resid 41   and name HA  ))
   (( segid "    " and resid 39   and name HB2 ))
 ASSI {  136}
   (( segid "    " and resid 41   and name HA  ))
   (  segid "    " and resid 42   and name HG2%)
      6.000     4.500     0.000 peak   136 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.087 ppm2      1.460 CV     1
 OR {  136}
   (( segid "    " and resid 41   and name HA  ))
   (( segid "    " and resid 155  and name HB1 ))
 ASSI {  141}
   (( segid "    " and resid 39   and name HA  ))
   (  segid "    " and resid 56   and name HB% )
      6.000     4.500     0.000 peak   141 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.254 ppm2      1.420 CV     1
 OR {  141}
   (( segid "    " and resid 39   and name HA  ))
   (( segid "    " and resid 155  and name HB1 ))
 ASSI {  153}
   (( segid "    " and resid 55   and name HA  ))
   (  segid "    " and resid 18   and name HG2%)
      6.000     4.500     0.000 peak   153 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.228 ppm2      0.234 CV     1
 OR {  153}
   (( segid "    " and resid 55   and name HA  ))
   (( segid "    " and resid 54   and name HG  ))
 ASSI {  154}
   (( segid "    " and resid 55   and name HA  ))
   (( segid "    " and resid 55   and name HD21))
      6.000     4.500     0.000 peak   154 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.219 ppm2      8.018 CV     1
 OR {  154}
   (( segid "    " and resid 55   and name HA  ))
   (( segid "    " and resid 9    and name HN  ))
 ASSI {  155}
   (( segid "    " and resid 107  and name HA  ))
   (( segid "    " and resid 113  and name HN  ))
      6.000     4.500     0.000 peak   155 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.524 ppm2      9.389 CV     1
 OR {  155}
   (( segid "    " and resid 107  and name HA  ))
   (( segid "    " and resid 106  and name HN  ))
 ASSI {  162}
   (( segid "    " and resid 107  and name HA  ))
   (  segid "    " and resid 112  and name HG2%)
      6.000     4.500     0.000 peak   162 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.524 ppm2      1.463 CV     1
 OR {  162}
   (( segid "    " and resid 107  and name HA  ))
   (( segid "    " and resid 106  and name HB  ))
 ASSI {  168}
   (( segid "    " and resid 39   and name HA  ))
   (( segid "    " and resid 54   and name HG  ))
      6.000     4.500     0.000 peak   168 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.249 ppm2      0.247 CV     1
 OR {  168}
   (( segid "    " and resid 39   and name HA  ))
   (  segid "    " and resid 18   and name HG2%)
 ASSI {  180}
   (( segid "    " and resid 120  and name HA  ))
   (( segid "    " and resid 120  and name HB1 ))
      6.000     4.500     0.000 peak   180 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.021 ppm2      3.009 CV     1
 OR {  180}
   (( segid "    " and resid 120  and name HA  ))
   (( segid "    " and resid 150  and name HD2 ))
 ASSI {  182}
   (( segid "    " and resid 97   and name HA  ))
   (( segid "    " and resid 70   and name HB2 ))
      6.000     4.500     0.000 peak   182 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.566 ppm2      1.887 CV     1
 OR {  182}
   (( segid "    " and resid 97   and name HA  ))
   (( segid "    " and resid 98   and name HG11))
 ASSI {  197}
   (( segid "    " and resid 103  and name HA  ))
   (( segid "    " and resid 138  and name HB1 ))
      6.000     4.500     0.000 peak   197 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.188 ppm2      2.406 CV     1
 OR {  197}
   (( segid "    " and resid 103  and name HA  ))
   (( segid "    " and resid 104  and name HB2 ))
 ASSI {  200}
   (( segid "    " and resid 103  and name HA  ))
   (  segid "    " and resid 105  and name HG2%)
      6.000     4.500     0.000 peak   200 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.177 ppm2      1.041 CV     1
 OR {  200}
   (( segid "    " and resid 103  and name HA  ))
   (  segid "    " and resid 136  and name HG1%)
 OR {  200}
   (( segid "    " and resid 103  and name HA  ))
   (  segid "    " and resid 105  and name HG1%)
 ASSI {  209}
   (( segid "    " and resid 57   and name HA  ))
   (( segid "    " and resid 57   and name HN  ))
      6.000     4.500     0.000 peak   209 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.680 ppm2      9.507 CV     1
 OR {  209}
   (( segid "    " and resid 57   and name HA  ))
   (( segid "    " and resid 5    and name HN  ))
 ASSI {  212}
   (( segid "    " and resid 57   and name HA  ))
   (( segid "    " and resid 6    and name HA  ))
      6.000     4.500     0.000 peak   212 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.682 ppm2      5.047 CV     1
 OR {  212}
   (( segid "    " and resid 57   and name HA  ))
   (( segid "    " and resid 58   and name HA  ))
 ASSI {  213}
   (( segid "    " and resid 57   and name HA  ))
   (( segid "    " and resid 58   and name HB  ))
      6.000     4.500     0.000 peak   213 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.679 ppm2      1.991 CV     1
 OR {  213}
   (( segid "    " and resid 57   and name HA  ))
   (( segid "    " and resid 100  and name HB2 ))
 ASSI {  214}
   (( segid "    " and resid 57   and name HA  ))
   (( segid "    " and resid 7    and name HG11))
      6.000     4.500     0.000 peak   214 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.678 ppm2      1.582 CV     1
 OR {  214}
   (( segid "    " and resid 57   and name HA  ))
   (( segid "    " and resid 127  and name HG1 ))
 OR {  214}
   (( segid "    " and resid 57   and name HA  ))
   (( segid "    " and resid 5    and name HG11))
 OR {  214}
   (( segid "    " and resid 57   and name HA  ))
   (( segid "    " and resid 5    and name HG12))
 ASSI {  218}
   (( segid "    " and resid 57   and name HA  ))
   (( segid "    " and resid 5    and name HB  ))
      6.000     4.500     0.000 peak   218 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.675 ppm2      1.789 CV     1
 OR {  218}
   (( segid "    " and resid 57   and name HA  ))
   (  segid "    " and resid 6    and name HB% )
 ASSI {  223}
   (( segid "    " and resid 8    and name HA1 ))
   (( segid "    " and resid 56   and name HN  ))
      6.000     4.500     0.000 peak   223 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.760 ppm2      8.894 CV     1
 OR {  223}
   (( segid "    " and resid 8    and name HA1 ))
   (( segid "    " and resid 55   and name HD22))
 ASSI {  254}
   (( segid "    " and resid 1    and name HB  ))
   (( segid "    " and resid 62   and name HN  ))
      6.000     4.500     0.000 peak   254 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.553 ppm2      9.233 CV     1
 OR {  254}
   (( segid "    " and resid 1    and name HB  ))
   (( segid "    " and resid 3    and name HN  ))
 ASSI {  268}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 21   and name HN  ))
      6.000     4.500     0.000 peak   268 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.433 ppm2      8.487 CV     1
 OR {  268}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 22   and name HN  ))
 ASSI {  269}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 19   and name HN  ))
      6.000     4.500     0.000 peak   269 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.430 ppm2      8.136 CV     1
 OR {  269}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 20   and name HN  ))
 ASSI {  291}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 76   and name HN  ))
      6.000     4.500     0.000 peak   291 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.600 ppm2      8.036 CV     1
 OR {  291}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 77   and name HN  ))
 ASSI {  298}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 18   and name HN  ))
      6.000     4.500     0.000 peak   298 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.318 ppm2      8.724 CV     1
 OR {  298}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 13   and name HN  ))
 ASSI {  299}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 15   and name HN  ))
      6.000     4.500     0.000 peak   299 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.318 ppm2      8.167 CV     1
 OR {  299}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 17   and name HN  ))
 ASSI {  303}
   (( segid "    " and resid 133  and name HA  ))
   (( segid "    " and resid 134  and name HN  ))
      6.000     4.500     0.000 peak   303 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.121 ppm2      8.302 CV     1
 OR {  303}
   (( segid "    " and resid 133  and name HA  ))
   (( segid "    " and resid 132  and name HN  ))
 ASSI {  307}
   (( segid "    " and resid 149  and name HA  ))
   (( segid "    " and resid 148  and name HN  ))
      6.000     4.500     0.000 peak   307 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.024 ppm2      7.559 CV     1
 OR {  307}
   (( segid "    " and resid 149  and name HA  ))
   (( segid "    " and resid 151  and name HN  ))
 ASSI {  308}
   (( segid "    " and resid 133  and name HA  ))
   (( segid "    " and resid 135  and name HN  ))
      6.000     4.500     0.000 peak   308 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.119 ppm2      7.207 CV     1
 OR {  308}
   (( segid "    " and resid 133  and name HA  ))
   (  segid "    " and resid 129  and name HD% )
 ASSI {  338}
   (( segid "    " and resid 1    and name HA  ))
   (( segid "    " and resid 62   and name HN  ))
      6.000     4.500     0.000 peak   338 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.639 ppm2      9.235 CV     1
 OR {  338}
   (( segid "    " and resid 1    and name HA  ))
   (( segid "    " and resid 3    and name HN  ))
 ASSI {  350}
   (( segid "    " and resid 13   and name HB1 ))
   (( segid "    " and resid 17   and name HN  ))
      6.000     4.500     0.000 peak   350 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.407 ppm2      8.190 CV     1
 OR {  350}
   (( segid "    " and resid 13   and name HB1 ))
   (( segid "    " and resid 15   and name HN  ))
 ASSI {  358}
   (( segid "    " and resid 13   and name HB2 ))
   (( segid "    " and resid 17   and name HN  ))
      6.000     4.500     0.000 peak   358 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.152 ppm2      8.173 CV     1
 OR {  358}
   (( segid "    " and resid 13   and name HB2 ))
   (( segid "    " and resid 15   and name HN  ))
 OR {  358}
   (( segid "    " and resid 13   and name HB2 ))
   (( segid "    " and resid 12   and name HN  ))
 ASSI {  368}
   (( segid "    " and resid 77   and name HA  ))
   (( segid "    " and resid 77   and name HN  ))
      6.000     4.500     0.000 peak   368 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.764 ppm2      8.019 CV     1
 OR {  368}
   (( segid "    " and resid 77   and name HA  ))
   (( segid "    " and resid 78   and name HN  ))
 ASSI {  370}
   (( segid "    " and resid 77   and name HA  ))
   (( segid "    " and resid 82   and name HN  ))
      6.000     4.500     0.000 peak   370 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.758 ppm2      8.219 CV     1
 OR {  370}
   (( segid "    " and resid 77   and name HA  ))
   (( segid "    " and resid 74   and name HE21))
 ASSI {  376}
   (( segid "    " and resid 129  and name HA  ))
   (( segid "    " and resid 131  and name HN  ))
      6.000     4.500     0.000 peak   376 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.870 ppm2      6.929 CV     1
 OR {  376}
   (( segid "    " and resid 118  and name HA  ))
   (( segid "    " and resid 123  and name HN  ))
 ASSI {  378}
   (( segid "    " and resid 129  and name HA  ))
   (( segid "    " and resid 132  and name HN  ))
      6.000     4.500     0.000 peak   378 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.860 ppm2      8.301 CV     1
 OR {  378}
   (( segid "    " and resid 129  and name HA  ))
   (( segid "    " and resid 134  and name HN  ))
 ASSI {  386}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 78   and name HN  ))
      6.000     4.500     0.000 peak   386 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.145 ppm2      8.010 CV     1
 OR {  386}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 76   and name HN  ))
 OR {  386}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 77   and name HN  ))
 ASSI {  391}
   (( segid "    " and resid 67   and name HA  ))
   (( segid "    " and resid 70   and name HN  ))
      6.000     4.500     0.000 peak   391 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.664 ppm2      7.818 CV     1
 OR {  391}
   (( segid "    " and resid 67   and name HA  ))
   (( segid "    " and resid 71   and name HN  ))
 ASSI {  400}
   (( segid "    " and resid 113  and name HA  ))
   (( segid "    " and resid 113  and name HN  ))
      6.000     4.500     0.000 peak   400 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.337 ppm2      9.388 CV     1
 OR {  400}
   (( segid "    " and resid 113  and name HA  ))
   (( segid "    " and resid 106  and name HN  ))
 ASSI {  407}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 19   and name HN  ))
      6.000     4.500     0.000 peak   407 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.104 ppm2      8.139 CV     1
 OR {  407}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 20   and name HN  ))
 ASSI {  427}
   (( segid "    " and resid 78   and name HA  ))
   (( segid "    " and resid 82   and name HN  ))
      6.000     4.500     0.000 peak   427 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.199 ppm2      8.223 CV     1
 OR {  427}
   (( segid "    " and resid 69   and name HA  ))
   (( segid "    " and resid 69   and name HN  ))
 ASSI {  428}
   (( segid "    " and resid 69   and name HA  ))
   (( segid "    " and resid 72   and name HN  ))
      6.000     4.500     0.000 peak   428 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.203 ppm2      7.807 CV     1
 OR {  428}
   (( segid "    " and resid 69   and name HA  ))
   (( segid "    " and resid 71   and name HN  ))
 OR {  428}
   (( segid "    " and resid 79   and name HA  ))
   (( segid "    " and resid 79   and name HE22))
 ASSI {  432}
   (( segid "    " and resid 145  and name HA  ))
   (( segid "    " and resid 148  and name HN  ))
      6.000     4.500     0.000 peak   432 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.245 ppm2      7.576 CV     1
 OR {  432}
   (( segid "    " and resid 145  and name HA  ))
   (( segid "    " and resid 145  and name HE21))
 ASSI {  438}
   (( segid "    " and resid 78   and name HA  ))
   (( segid "    " and resid 78   and name HN  ))
      6.000     4.500     0.000 peak   438 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.187 ppm2      7.971 CV     1
 OR {  438}
   (( segid "    " and resid 79   and name HA  ))
   (( segid "    " and resid 78   and name HN  ))
 ASSI {  447}
   (( segid "    " and resid 123  and name HA  ))
   (( segid "    " and resid 126  and name HN  ))
      6.000     4.500     0.000 peak   447 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.354 ppm2      8.710 CV     1
 OR {  447}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 67   and name HN  ))
 ASSI {  451}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 71   and name HN  ))
      6.000     4.500     0.000 peak   451 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.343 ppm2      7.765 CV     1
 OR {  451}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 72   and name HN  ))
 ASSI {  452}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 71   and name HD22))
      6.000     4.500     0.000 peak   452 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.348 ppm2      7.191 CV     1
 OR {  452}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 72   and name HD2 ))
 ASSI {  453}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 68   and name HN  ))
      6.000     4.500     0.000 peak   453 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.348 ppm2      6.888 CV     1
 OR {  453}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 10   and name HD22))
 ASSI {  460}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 17   and name HN  ))
      6.000     4.500     0.000 peak   460 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.995 ppm2      8.161 CV     1
 OR {  460}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 20   and name HN  ))
 ASSI {  475}
   (( segid "    " and resid 125  and name HA  ))
   (( segid "    " and resid 126  and name HN  ))
      6.000     4.500     0.000 peak   475 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.818 ppm2      8.677 CV     1
 OR {  475}
   (( segid "    " and resid 125  and name HA  ))
   (( segid "    " and resid 129  and name HN  ))
 ASSI {  485}
   (( segid "    " and resid 141  and name HA  ))
   (( segid "    " and resid 142  and name HN  ))
      6.000     4.500     0.000 peak   485 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.295 ppm2      9.273 CV     1
 OR {  485}
   (( segid "    " and resid 104  and name HA  ))
   (( segid "    " and resid 103  and name HN  ))
 ASSI {  495}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 15   and name HN  ))
      6.000     4.500     0.000 peak   495 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.083 ppm2      8.171 CV     1
 OR {  495}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 12   and name HN  ))
 ASSI {  499}
   (( segid "    " and resid 19   and name HA  ))
   (( segid "    " and resid 19   and name HD21))
      6.000     4.500     0.000 peak   499 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.602 ppm2      7.419 CV     1
 OR {  499}
   (( segid "    " and resid 19   and name HA  ))
   (( segid "    " and resid 23   and name HN  ))
 ASSI {  501}
   (( segid "    " and resid 157  and name HA  ))
   (( segid "    " and resid 41   and name HN  ))
      6.000     4.500     0.000 peak   501 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.504 ppm2      8.804 CV     1
 OR {  501}
   (( segid "    " and resid 157  and name HA  ))
   (( segid "    " and resid 157  and name HN  ))
 ASSI {  515}
   (( segid "    " and resid 82   and name HA  ))
   (( segid "    " and resid 83   and name HN  ))
      6.000     4.500     0.000 peak   515 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.389 ppm2      8.226 CV     1
 OR {  515}
   (( segid "    " and resid 82   and name HA  ))
   (( segid "    " and resid 82   and name HN  ))
 ASSI {  517}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 49   and name HN  ))
      6.000     4.500     0.000 peak   517 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.317 ppm2      8.895 CV     1
 OR {  517}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 74   and name HN  ))
 ASSI {  519}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 71   and name HN  ))
      6.000     4.500     0.000 peak   519 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.321 ppm2      7.772 CV     1
 OR {  519}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 72   and name HN  ))
 ASSI {  521}
   (( segid "    " and resid 80   and name HA  ))
   (( segid "    " and resid 81   and name HN  ))
      6.000     4.500     0.000 peak   521 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.533 ppm2      7.913 CV     1
 OR {  521}
   (( segid "    " and resid 80   and name HA  ))
   (( segid "    " and resid 80   and name HE21))
 ASSI {  532}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 21   and name HN  ))
      6.000     4.500     0.000 peak   532 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.143 ppm2      8.489 CV     1
 OR {  532}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 22   and name HN  ))
 ASSI {  533}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 24   and name HN  ))
      6.000     4.500     0.000 peak   533 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.145 ppm2      7.917 CV     1
 OR {  533}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 80   and name HE21))
 ASSI {  540}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 63   and name HN  ))
      6.000     4.500     0.000 peak   540 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.234 ppm2      8.247 CV     1
 OR {  540}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 69   and name HN  ))
 ASSI {  577}
   (( segid "    " and resid 14   and name HD2 ))
   (( segid "    " and resid 15   and name HN  ))
      6.000     4.500     0.000 peak   577 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.731 ppm2      8.162 CV     1
 OR {  577}
   (( segid "    " and resid 14   and name HD2 ))
   (( segid "    " and resid 12   and name HN  ))
 ASSI {  583}
   (( segid "    " and resid 133  and name HD2 ))
   (( segid "    " and resid 134  and name HN  ))
      6.000     4.500     0.000 peak   583 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.120 ppm2      8.301 CV     1
 OR {  583}
   (( segid "    " and resid 133  and name HD2 ))
   (( segid "    " and resid 132  and name HN  ))
 ASSI {  586}
   (( segid "    " and resid 133  and name HD1 ))
   (( segid "    " and resid 132  and name HN  ))
      6.000     4.500     0.000 peak   586 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.440 ppm2      8.301 CV     1
 OR {  586}
   (( segid "    " and resid 133  and name HD1 ))
   (( segid "    " and resid 134  and name HN  ))
 ASSI {  627}
   (( segid "    " and resid 55   and name HB1 ))
   (( segid "    " and resid 55   and name HD22))
      6.000     4.500     0.000 peak   627 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.353 ppm2      8.917 CV     1
 OR {  627}
   (( segid "    " and resid 55   and name HB1 ))
   (( segid "    " and resid 56   and name HN  ))
 ASSI {  630}
   (( segid "    " and resid 55   and name HB2 ))
   (( segid "    " and resid 55   and name HD22))
      6.000     4.500     0.000 peak   630 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.233 ppm2      8.903 CV     1
 OR {  630}
   (( segid "    " and resid 55   and name HB2 ))
   (( segid "    " and resid 56   and name HN  ))
 ASSI {  670}
   (( segid "    " and resid 110  and name HD2 ))
   (( segid "    " and resid 71   and name HD21))
      6.000     4.500     0.000 peak   670 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.274 ppm2      7.462 CV     1
 OR {  670}
   (( segid "    " and resid 144  and name HD2 ))
   (( segid "    " and resid 147  and name HN  ))
 ASSI {  694}
   (( segid "    " and resid 92   and name HD1 ))
   (( segid "    " and resid 83   and name HN  ))
      6.000     4.500     0.000 peak   694 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.534 ppm2      8.228 CV     1
 OR {  694}
   (( segid "    " and resid 82   and name HD1 ))
   (( segid "    " and resid 82   and name HN  ))
 OR {  694}
   (( segid "    " and resid 82   and name HD1 ))
   (( segid "    " and resid 83   and name HN  ))
 ASSI {  695}
   (( segid "    " and resid 92   and name HD2 ))
   (( segid "    " and resid 94   and name HN  ))
      6.000     4.500     0.000 peak   695 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.359 ppm2      6.376 CV     1
 OR {  695}
   (( segid "    " and resid 82   and name HD2 ))
   (( segid "    " and resid 94   and name HN  ))
 ASSI {  706}
   (( segid "    " and resid 92   and name HD1 ))
   (( segid "    " and resid 94   and name HN  ))
      6.000     4.500     0.000 peak   706 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.532 ppm2      6.372 CV     1
 OR {  706}
   (( segid "    " and resid 82   and name HD1 ))
   (( segid "    " and resid 94   and name HN  ))
 ASSI {  708}
   (( segid "    " and resid 92   and name HD2 ))
   (( segid "    " and resid 83   and name HN  ))
      6.000     4.500     0.000 peak   708 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.363 ppm2      8.232 CV     1
 OR {  708}
   (( segid "    " and resid 82   and name HD2 ))
   (( segid "    " and resid 83   and name HN  ))
 OR {  708}
   (( segid "    " and resid 82   and name HD2 ))
   (( segid "    " and resid 82   and name HN  ))
 ASSI {  753}
   (( segid "    " and resid 5    and name HB  ))
   (( segid "    " and resid 4    and name HA  ))
      6.000     4.500     0.000 peak   753 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.783 ppm2      5.564 CV     1
 OR {  753}
   (( segid "    " and resid 5    and name HB  ))
   (( segid "    " and resid 97   and name HA  ))
 ASSI {  780}
   (( segid "    " and resid 70   and name HB1 ))
   (( segid "    " and resid 70   and name HN  ))
      6.000     4.500     0.000 peak   780 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.019 ppm2      7.812 CV     1
 OR {  780}
   (( segid "    " and resid 70   and name HB1 ))
   (( segid "    " and resid 71   and name HN  ))
 ASSI {  782}
   (( segid "    " and resid 40   and name HB2 ))
   (( segid "    " and resid 40   and name HA  ))
      6.000     4.500     0.000 peak   782 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.053 ppm2      5.258 CV     1
 OR {  782}
   (( segid "    " and resid 40   and name HB2 ))
   (( segid "    " and resid 39   and name HA  ))
 ASSI {  884}
   (( segid "    " and resid 39   and name HB1 ))
   (( segid "    " and resid 39   and name HN  ))
      6.000     4.500     0.000 peak   884 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.375 ppm2      8.668 CV     1
 OR {  884}
   (( segid "    " and resid 39   and name HB1 ))
   (( segid "    " and resid 158  and name HN  ))
 ASSI {  889}
   (( segid "    " and resid 39   and name HB2 ))
   (  segid "    " and resid 39   and name HD% )
      6.000     4.500     0.000 peak   889 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.788 ppm2      6.964 CV     1
 OR {  889}
   (( segid "    " and resid 123  and name HB1 ))
   (( segid "    " and resid 123  and name HN  ))
 ASSI {  891}
   (( segid "    " and resid 39   and name HB2 ))
   (( segid "    " and resid 39   and name HN  ))
      6.000     4.500     0.000 peak   891 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.773 ppm2      8.662 CV     1
 OR {  891}
   (( segid "    " and resid 39   and name HB2 ))
   (( segid "    " and resid 158  and name HN  ))
 ASSI {  906}
   (( segid "    " and resid 113  and name HB  ))
   (( segid "    " and resid 113  and name HN  ))
      6.000     4.500     0.000 peak   906 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.884 ppm2      9.400 CV     1
 OR {  906}
   (( segid "    " and resid 113  and name HB  ))
   (( segid "    " and resid 106  and name HN  ))
 ASSI {  912}
   (( segid "    " and resid 71   and name HB2 ))
   (( segid "    " and resid 71   and name HN  ))
      6.000     4.500     0.000 peak   912 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.103 ppm2      7.766 CV     1
 OR {  912}
   (( segid "    " and resid 71   and name HB2 ))
   (( segid "    " and resid 72   and name HN  ))
 ASSI {  915}
   (( segid "    " and resid 71   and name HB1 ))
   (( segid "    " and resid 71   and name HN  ))
      6.000     4.500     0.000 peak   915 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.621 ppm2      7.775 CV     1
 OR {  915}
   (( segid "    " and resid 71   and name HB1 ))
   (( segid "    " and resid 72   and name HN  ))
 ASSI {  918}
   (( segid "    " and resid 16   and name HG2 ))
   (( segid "    " and resid 17   and name HN  ))
      6.000     4.500     0.000 peak   918 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.385 ppm2      8.173 CV     1
 OR {  918}
   (( segid "    " and resid 16   and name HG2 ))
   (( segid "    " and resid 15   and name HN  ))
 ASSI {  921}
   (( segid "    " and resid 16   and name HG1 ))
   (( segid "    " and resid 17   and name HN  ))
      6.000     4.500     0.000 peak   921 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.345 ppm2      8.173 CV     1
 OR {  921}
   (( segid "    " and resid 16   and name HG1 ))
   (( segid "    " and resid 15   and name HN  ))
 ASSI {  937}
   (( segid "    " and resid 58   and name HB  ))
   (( segid "    " and resid 5    and name HN  ))
      6.000     4.500     0.000 peak   937 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.977 ppm2      9.503 CV     1
 OR {  937}
   (( segid "    " and resid 58   and name HB  ))
   (( segid "    " and resid 57   and name HN  ))
 ASSI {  951}
   (( segid "    " and resid 80   and name HG2 ))
   (( segid "    " and resid 80   and name HN  ))
      6.000     4.500     0.000 peak   951 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.266 ppm2      7.650 CV     1
 OR {  951}
   (( segid "    " and resid 109  and name HG2 ))
   (( segid "    " and resid 111  and name HN  ))
 ASSI {  959}
   (( segid "    " and resid 68   and name HG2 ))
   (( segid "    " and resid 72   and name HN  ))
      6.000     4.500     0.000 peak   959 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.418 ppm2      7.789 CV     1
 OR {  959}
   (( segid "    " and resid 68   and name HG1 ))
   (( segid "    " and resid 72   and name HN  ))
 OR {  959}
   (( segid "    " and resid 68   and name HG2 ))
   (( segid "    " and resid 71   and name HN  ))
 OR {  959}
   (( segid "    " and resid 68   and name HG1 ))
   (( segid "    " and resid 71   and name HN  ))
 ASSI { 1006}
   (( segid "    " and resid 48   and name HG2 ))
   (( segid "    " and resid 48   and name HE22))
      6.000     4.500     0.000 peak  1006 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.572 ppm2      7.780 CV     1
 OR { 1006}
   (( segid "    " and resid 79   and name HG2 ))
   (( segid "    " and resid 79   and name HE22))
 ASSI { 1007}
   (( segid "    " and resid 142  and name HB2 ))
   (( segid "    " and resid 144  and name HN  ))
      6.000     4.500     0.000 peak  1007 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.272 ppm2      9.596 CV     1
 OR { 1007}
   (( segid "    " and resid 99   and name HB1 ))
   (( segid "    " and resid 99   and name HN  ))
 ASSI { 1094}
   (( segid "    " and resid 17   and name HG2 ))
   (( segid "    " and resid 18   and name HN  ))
      6.000     4.500     0.000 peak  1094 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.631 ppm2      8.726 CV     1
 OR { 1094}
   (( segid "    " and resid 17   and name HG2 ))
   (( segid "    " and resid 13   and name HN  ))
 OR { 1094}
   (( segid "    " and resid 17   and name HG1 ))
   (( segid "    " and resid 18   and name HN  ))
 ASSI { 1128}
   (( segid "    " and resid 144  and name HB1 ))
   (( segid "    " and resid 147  and name HN  ))
      6.000     4.500     0.000 peak  1128 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.809 ppm2      7.481 CV     1
 OR { 1128}
   (( segid "    " and resid 141  and name HB1 ))
   (( segid "    " and resid 147  and name HN  ))
 ASSI { 1133}
   (( segid "    " and resid 82   and name HB1 ))
   (( segid "    " and resid 82   and name HN  ))
      6.000     4.500     0.000 peak  1133 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.620 ppm2      8.221 CV     1
 OR { 1133}
   (( segid "    " and resid 82   and name HB2 ))
   (( segid "    " and resid 83   and name HN  ))
 OR { 1133}
   (( segid "    " and resid 82   and name HB2 ))
   (( segid "    " and resid 82   and name HN  ))
 ASSI { 1156}
   (( segid "    " and resid 18   and name HB  ))
   (( segid "    " and resid 17   and name HN  ))
      6.000     4.500     0.000 peak  1156 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.567 ppm2      8.195 CV     1
 OR { 1156}
   (( segid "    " and resid 18   and name HB  ))
   (( segid "    " and resid 15   and name HN  ))
 ASSI { 1157}
   (( segid "    " and resid 18   and name HB  ))
   (( segid "    " and resid 21   and name HN  ))
      6.000     4.500     0.000 peak  1157 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.555 ppm2      8.487 CV     1
 OR { 1157}
   (( segid "    " and resid 18   and name HB  ))
   (( segid "    " and resid 22   and name HN  ))
 ASSI { 1169}
   (( segid "    " and resid 77   and name HB1 ))
   (( segid "    " and resid 78   and name HN  ))
      6.000     4.500     0.000 peak  1169 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.596 ppm2      8.008 CV     1
 OR { 1169}
   (( segid "    " and resid 77   and name HB1 ))
   (( segid "    " and resid 77   and name HN  ))
 ASSI { 1174}
   (( segid "    " and resid 48   and name HB1 ))
   (( segid "    " and resid 48   and name HN  ))
      6.000     4.500     0.000 peak  1174 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.034 ppm2      8.589 CV     1
 OR { 1174}
   (( segid "    " and resid 50   and name HB1 ))
   (( segid "    " and resid 46   and name HN  ))
 OR { 1174}
   (( segid "    " and resid 50   and name HB2 ))
   (( segid "    " and resid 46   and name HN  ))
 ASSI { 1195}
   (( segid "    " and resid 48   and name HB2 ))
   (( segid "    " and resid 48   and name HE22))
      6.000     4.500     0.000 peak  1195 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.287 ppm2      7.754 CV     1
 OR { 1195}
   (( segid "    " and resid 68   and name HB1 ))
   (( segid "    " and resid 72   and name HN  ))
 OR { 1195}
   (( segid "    " and resid 68   and name HB2 ))
   (( segid "    " and resid 72   and name HN  ))
 ASSI { 1206}
   (( segid "    " and resid 16   and name HB2 ))
   (( segid "    " and resid 17   and name HN  ))
      6.000     4.500     0.000 peak  1206 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.292 ppm2      8.193 CV     1
 OR { 1206}
   (( segid "    " and resid 16   and name HB2 ))
   (( segid "    " and resid 15   and name HN  ))
 ASSI { 1208}
   (( segid "    " and resid 16   and name HB1 ))
   (( segid "    " and resid 17   and name HN  ))
      6.000     4.500     0.000 peak  1208 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.170 ppm2      8.179 CV     1
 OR { 1208}
   (( segid "    " and resid 16   and name HB1 ))
   (( segid "    " and resid 15   and name HN  ))
 ASSI { 1262}
   (( segid "    " and resid 146  and name HG11))
   (( segid "    " and resid 144  and name HN  ))
      6.000     4.500     0.000 peak  1262 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.994 ppm2      9.601 CV     1
 OR { 1262}
   (( segid "    " and resid 98   and name HG12))
   (( segid "    " and resid 99   and name HN  ))
 ASSI { 1263}
   (( segid "    " and resid 146  and name HG11))
   (( segid "    " and resid 146  and name HN  ))
      6.000     4.500     0.000 peak  1263 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.980 ppm2      7.867 CV     1
 OR { 1263}
   (( segid "    " and resid 98   and name HG12))
   (( segid "    " and resid 70   and name HN  ))
 ASSI { 1271}
   (( segid "    " and resid 127  and name HG1 ))
   (  segid "    " and resid 40   and name HD% )
      6.000     4.500     0.000 peak  1271 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.577 ppm2      7.037 CV     1
 OR { 1271}
   (( segid "    " and resid 5    and name HG12))
   (  segid "    " and resid 101  and name HD% )
 ASSI { 1280}
   (( segid "    " and resid 79   and name HB2 ))
   (( segid "    " and resid 78   and name HN  ))
      6.000     4.500     0.000 peak  1280 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.280 ppm2      8.008 CV     1
 OR { 1280}
   (( segid "    " and resid 79   and name HB2 ))
   (( segid "    " and resid 76   and name HN  ))
 OR { 1280}
   (( segid "    " and resid 79   and name HB2 ))
   (( segid "    " and resid 77   and name HN  ))
 OR { 1280}
   (( segid "    " and resid 74   and name HB1 ))
   (( segid "    " and resid 77   and name HN  ))
 OR { 1280}
   (( segid "    " and resid 74   and name HB1 ))
   (( segid "    " and resid 76   and name HN  ))
 ASSI { 1282}
   (( segid "    " and resid 43   and name HG2 ))
   (( segid "    " and resid 43   and name HA  ))
      6.000     4.500     0.000 peak  1282 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.189 ppm2      5.146 CV     1
 OR { 1282}
   (( segid "    " and resid 43   and name HG1 ))
   (( segid "    " and resid 43   and name HA  ))
 OR { 1282}
   (( segid "    " and resid 43   and name HG1 ))
   (( segid "    " and resid 42   and name HA  ))
 OR { 1282}
   (( segid "    " and resid 43   and name HG2 ))
   (( segid "    " and resid 42   and name HA  ))
 ASSI { 1286}
   (( segid "    " and resid 127  and name HG2 ))
   (( segid "    " and resid 55   and name HD22))
      6.000     4.500     0.000 peak  1286 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.048 ppm2      8.916 CV     1
 OR { 1286}
   (( segid "    " and resid 127  and name HG2 ))
   (( segid "    " and resid 56   and name HN  ))
 OR { 1286}
   (( segid "    " and resid 29   and name HG2 ))
   (( segid "    " and resid 30   and name HN  ))
 ASSI { 1311}
   (( segid "    " and resid 30   and name HB2 ))
   (( segid "    " and resid 30   and name HN  ))
      6.000     4.500     0.000 peak  1311 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.995 ppm2      8.919 CV     1
 OR { 1311}
   (( segid "    " and resid 29   and name HG1 ))
   (( segid "    " and resid 30   and name HN  ))
 ASSI { 1318}
   (( segid "    " and resid 133  and name HG2 ))
   (( segid "    " and resid 134  and name HN  ))
      6.000     4.500     0.000 peak  1318 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.800 ppm2      8.282 CV     1
 OR { 1318}
   (( segid "    " and resid 133  and name HG1 ))
   (( segid "    " and resid 132  and name HN  ))
 OR { 1318}
   (( segid "    " and resid 133  and name HG1 ))
   (( segid "    " and resid 134  and name HN  ))
 OR { 1318}
   (( segid "    " and resid 133  and name HG2 ))
   (( segid "    " and resid 132  and name HN  ))
 ASSI { 1327}
   (( segid "    " and resid 70   and name HG  ))
   (( segid "    " and resid 74   and name HE22))
      6.000     4.500     0.000 peak  1327 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.346 ppm2      7.129 CV     1
 OR { 1327}
   (( segid "    " and resid 45   and name HG  ))
   (( segid "    " and resid 50   and name HE22))
 ASSI { 1336}
   (  segid "    " and resid 60   and name HD1%)
   (( segid "    " and resid 33   and name HN  ))
      6.000     4.500     0.000 peak  1336 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.746 ppm2      9.211 CV     1
 OR { 1336}
   (  segid "    " and resid 60   and name HD1%)
   (( segid "    " and resid 62   and name HN  ))
 ASSI { 1359}
   (( segid "    " and resid 75   and name HG1 ))
   (( segid "    " and resid 76   and name HN  ))
      6.000     4.500     0.000 peak  1359 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.696 ppm2      8.039 CV     1
 OR { 1359}
   (( segid "    " and resid 75   and name HG1 ))
   (( segid "    " and resid 77   and name HN  ))
 ASSI { 1374}
   (  segid "    " and resid 96   and name HD2%)
   (( segid "    " and resid 77   and name HN  ))
      6.000     4.500     0.000 peak  1374 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.145 ppm2      8.036 CV     1
 OR { 1374}
   (  segid "    " and resid 96   and name HD2%)
   (( segid "    " and resid 76   and name HN  ))
 OR { 1374}
   (  segid "    " and resid 96   and name HD1%)
   (( segid "    " and resid 77   and name HN  ))
 ASSI { 1382}
   (  segid "    " and resid 70   and name HD1%)
   (( segid "    " and resid 74   and name HE21))
      6.000     4.500     0.000 peak  1382 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.495 ppm2      8.229 CV     1
 OR { 1382}
   (  segid "    " and resid 70   and name HD1%)
   (( segid "    " and resid 69   and name HN  ))
 ASSI { 1384}
   (  segid "    " and resid 155  and name HD1%)
   (  segid "    " and resid 40   and name HD% )
      6.000     4.500     0.000 peak  1384 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.499 ppm2      7.075 CV     1
 OR { 1384}
   (  segid "    " and resid 155  and name HD2%)
   (  segid "    " and resid 40   and name HD% )
 OR { 1384}
   (  segid "    " and resid 125  and name HD1%)
   (  segid "    " and resid 152  and name HD% )
 ASSI { 1385}
   (  segid "    " and resid 155  and name HD1%)
   (( segid "    " and resid 123  and name HN  ))
      6.000     4.500     0.000 peak  1385 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.496 ppm2      6.944 CV     1
 OR { 1385}
   (  segid "    " and resid 125  and name HD2%)
   (( segid "    " and resid 123  and name HN  ))
 OR { 1385}
   (  segid "    " and resid 125  and name HD1%)
   (( segid "    " and resid 145  and name HE22))
 OR { 1385}
   (  segid "    " and resid 125  and name HD2%)
   (( segid "    " and resid 145  and name HE22))
 ASSI { 1422}
   (  segid "    " and resid 128  and name HD2%)
   (( segid "    " and resid 129  and name HN  ))
      6.000     4.500     0.000 peak  1422 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.588 ppm2      8.670 CV     1
 OR { 1422}
   (  segid "    " and resid 128  and name HD1%)
   (( segid "    " and resid 4    and name HN  ))
 OR { 1422}
   (  segid "    " and resid 128  and name HD2%)
   (( segid "    " and resid 4    and name HN  ))
 ASSI { 1429}
   (( segid "    " and resid 157  and name HG2 ))
   (( segid "    " and resid 158  and name HN  ))
      6.000     4.500     0.000 peak  1429 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.304 ppm2      8.670 CV     1
 OR { 1429}
   (( segid "    " and resid 157  and name HG2 ))
   (( segid "    " and resid 39   and name HN  ))
 ASSI { 1492}
   (  segid "    " and resid 100  and name HD2%)
   (( segid "    " and resid 4    and name HN  ))
      6.000     6.000     0.000 peak  1492 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.076 ppm2      8.659 CV     1
 OR { 1492}
   (  segid "    " and resid 100  and name HD2%)
   (( segid "    " and resid 115  and name HN  ))
 ASSI { 1503}
   (  segid "    " and resid 147  and name HD1%)
   (  segid "    " and resid 129  and name HD% )
      6.000     4.500     0.000 peak  1503 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1     -0.458 ppm2      7.183 CV     1
 OR { 1503}
   (  segid "    " and resid 147  and name HD1%)
   (( segid "    " and resid 152  and name HN  ))
 ASSI { 1524}
   (  segid "    " and resid 56   and name HB% )
   (( segid "    " and resid 40   and name HN  ))
      6.000     4.500     0.000 peak  1524 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.423 ppm2      9.128 CV     1
 OR { 1524}
   (  segid "    " and resid 56   and name HB% )
   (( segid "    " and resid 37   and name HN  ))
 ASSI { 1552}
   (  segid "    " and resid 18   and name HG1%)
   (( segid "    " and resid 22   and name HN  ))
      6.000     4.500     0.000 peak  1552 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.639 ppm2      8.492 CV     1
 OR { 1552}
   (  segid "    " and resid 18   and name HG1%)
   (( segid "    " and resid 21   and name HN  ))
 ASSI { 1553}
   (  segid "    " and resid 18   and name HG1%)
   (( segid "    " and resid 20   and name HN  ))
      6.000     4.500     0.000 peak  1553 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.641 ppm2      8.143 CV     1
 OR { 1553}
   (  segid "    " and resid 18   and name HG1%)
   (( segid "    " and resid 17   and name HN  ))
 OR { 1553}
   (  segid "    " and resid 18   and name HG1%)
   (( segid "    " and resid 15   and name HN  ))
 ASSI { 1559}
   (  segid "    " and resid 69   and name HD2%)
   (( segid "    " and resid 72   and name HN  ))
      6.000     4.500     0.000 peak  1559 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.942 ppm2      7.782 CV     1
 OR { 1559}
   (  segid "    " and resid 69   and name HD2%)
   (( segid "    " and resid 71   and name HN  ))
 ASSI { 1563}
   (( segid "    " and resid 128  and name HG  ))
   (( segid "    " and resid 129  and name HN  ))
      6.000     4.500     0.000 peak  1563 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.306 ppm2      8.664 CV     1
 OR { 1563}
   (( segid "    " and resid 128  and name HG  ))
   (( segid "    " and resid 4    and name HN  ))
 ASSI { 1567}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 5    and name HN  ))
      6.000     4.500     0.000 peak  1567 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.016 ppm2      9.501 CV     1
 OR { 1567}
   (  segid "    " and resid 58   and name HG1%)
   (( segid "    " and resid 5    and name HN  ))
 OR { 1567}
   (  segid "    " and resid 58   and name HG1%)
   (( segid "    " and resid 57   and name HN  ))
 ASSI { 1576}
   (  segid "    " and resid 94   and name HD1%)
   (( segid "    " and resid 21   and name HN  ))
      6.000     4.500     0.000 peak  1576 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.863 ppm2      8.505 CV     1
 OR { 1576}
   (  segid "    " and resid 94   and name HD2%)
   (( segid "    " and resid 21   and name HN  ))
 OR { 1576}
   (  segid "    " and resid 94   and name HD1%)
   (( segid "    " and resid 22   and name HN  ))
 ASSI { 1577}
   (  segid "    " and resid 94   and name HD1%)
   (( segid "    " and resid 20   and name HN  ))
      6.000     4.500     0.000 peak  1577 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.865 ppm2      8.171 CV     1
 OR { 1577}
   (  segid "    " and resid 94   and name HD1%)
   (( segid "    " and resid 17   and name HN  ))
 OR { 1577}
   (  segid "    " and resid 94   and name HD2%)
   (( segid "    " and resid 17   and name HN  ))
 OR { 1577}
   (  segid "    " and resid 94   and name HD2%)
   (( segid "    " and resid 20   and name HN  ))
 OR { 1577}
   (  segid "    " and resid 94   and name HD2%)
   (( segid "    " and resid 12   and name HN  ))
 ASSI { 1583}
   (  segid "    " and resid 70   and name HD2%)
   (( segid "    " and resid 71   and name HN  ))
      6.000     4.500     0.000 peak  1583 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.721 ppm2      7.798 CV     1
 OR { 1583}
   (  segid "    " and resid 70   and name HD2%)
   (( segid "    " and resid 72   and name HN  ))
 ASSI { 1589}
   (  segid "    " and resid 113  and name HG1%)
   (( segid "    " and resid 113  and name HN  ))
      6.000     4.500     0.000 peak  1589 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.881 ppm2      9.390 CV     1
 OR { 1589}
   (  segid "    " and resid 113  and name HG1%)
   (( segid "    " and resid 106  and name HN  ))
 ASSI { 1603}
   (  segid "    " and resid 35   and name HG2%)
   (( segid "    " and resid 36   and name HN  ))
      6.000     4.500     0.000 peak  1603 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.276 ppm2      8.311 CV     1
 OR { 1603}
   (  segid "    " and resid 59   and name HB% )
   (( segid "    " and resid 132  and name HN  ))
 ASSI { 1654}
   (  segid "    " and resid 113  and name HG2%)
   (( segid "    " and resid 106  and name HN  ))
      6.000     4.500     0.000 peak  1654 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.175 ppm2      9.377 CV     1
 OR { 1654}
   (  segid "    " and resid 113  and name HG2%)
   (( segid "    " and resid 113  and name HN  ))
 ASSI { 1673}
   (  segid "    " and resid 147  and name HD2%)
   (( segid "    " and resid 126  and name HE3 ))
      6.000     4.500     0.000 peak  1673 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1     -0.569 ppm2      7.833 CV     1
 OR { 1673}
   (  segid "    " and resid 147  and name HD2%)
   (( segid "    " and resid 150  and name HN  ))
 ASSI { 1677}
   (  segid "    " and resid 6    and name HB% )
   (( segid "    " and resid 7    and name HN  ))
      6.000     4.500     0.000 peak  1677 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.777 ppm2      8.995 CV     1
 OR { 1677}
   (  segid "    " and resid 6    and name HB% )
   (( segid "    " and resid 97   and name HN  ))
 ASSI { 1691}
   (( segid "    " and resid 1    and name HG21))
   (( segid "    " and resid 103  and name HN  ))
      6.000     4.500     0.000 peak  1691 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.560 ppm2      9.255 CV     1
 OR { 1691}
   (( segid "    " and resid 1    and name HG21))
   (( segid "    " and resid 62   and name HN  ))
 OR { 1691}
   (( segid "    " and resid 1    and name HG21))
   (( segid "    " and resid 3    and name HN  ))
 ASSI { 1703}
   (  segid "    " and resid 112  and name HG2%)
   (( segid "    " and resid 115  and name HD2 ))
      6.000     4.500     0.000 peak  1703 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.464 ppm2      6.801 CV     1
 OR { 1703}
   (  segid "    " and resid 112  and name HG2%)
   (( segid "    " and resid 107  and name HD22))
 ASSI { 1708}
   (  segid "    " and resid 3    and name HB% )
   (( segid "    " and resid 61   and name HN  ))
      6.000     4.500     0.000 peak  1708 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.233 ppm2      8.783 CV     1
 OR { 1708}
   (  segid "    " and resid 3    and name HB% )
   (( segid "    " and resid 2    and name HN  ))
 ASSI { 1720}
   (  segid "    " and resid 18   and name HG2%)
   (( segid "    " and resid 21   and name HN  ))
      6.000     4.500     0.000 peak  1720 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.240 ppm2      8.503 CV     1
 OR { 1720}
   (  segid "    " and resid 18   and name HG2%)
   (( segid "    " and resid 22   and name HN  ))
 ASSI { 1737}
   (  segid "    " and resid 21   and name HB% )
   (( segid "    " and resid 18   and name HN  ))
      6.000     4.500     0.000 peak  1737 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.562 ppm2      8.739 CV     1
 OR { 1737}
   (  segid "    " and resid 21   and name HB% )
   (( segid "    " and resid 8    and name HN  ))
 ASSI { 1738}
   (  segid "    " and resid 21   and name HB% )
   (( segid "    " and resid 23   and name HN  ))
      6.000     4.500     0.000 peak  1738 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.567 ppm2      7.442 CV     1
 OR { 1738}
   (  segid "    " and resid 21   and name HB% )
   (( segid "    " and resid 80   and name HE22))
 ASSI { 1742}
   (  segid "    " and resid 21   and name HB% )
   (( segid "    " and resid 21   and name HN  ))
      6.000     4.500     0.000 peak  1742 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.561 ppm2      8.491 CV     1
 OR { 1742}
   (  segid "    " and resid 21   and name HB% )
   (( segid "    " and resid 22   and name HN  ))
 ASSI { 1755}
   (  segid "    " and resid 132  and name HB% )
   (( segid "    " and resid 132  and name HN  ))
      6.000     4.500     0.000 peak  1755 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.018 ppm2      8.306 CV     1
 OR { 1755}
   (  segid "    " and resid 132  and name HB% )
   (( segid "    " and resid 134  and name HN  ))
 ASSI { 1757}
   (  segid "    " and resid 15   and name HD1%)
   (  segid "    " and resid 39   and name HD% )
      6.000     4.500     0.000 peak  1757 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.019 ppm2      6.939 CV     1
 OR { 1757}
   (  segid "    " and resid 132  and name HB% )
   (( segid "    " and resid 131  and name HN  ))
 ASSI { 1763}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 22   and name HN  ))
      6.000     4.500     0.000 peak  1763 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.783 ppm2      8.489 CV     1
 OR { 1763}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 21   and name HN  ))
 ASSI { 1779}
   (  segid "    " and resid 131  and name HG2%)
   (( segid "    " and resid 60   and name HN  ))
      6.000     4.500     0.000 peak  1779 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.846 ppm2      9.320 CV     1
 OR { 1779}
   (  segid "    " and resid 5    and name HG2%)
   (( segid "    " and resid 73   and name HN  ))
 OR { 1779}
   (  segid "    " and resid 5    and name HG2%)
   (( segid "    " and resid 60   and name HN  ))
 ASSI { 1782}
   (  segid "    " and resid 131  and name HG2%)
   (( segid "    " and resid 128  and name HN  ))
      6.000     4.500     0.000 peak  1782 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.848 ppm2      6.586 CV     1
 OR { 1782}
   (  segid "    " and resid 5    and name HG2%)
   (( segid "    " and resid 128  and name HN  ))
 ASSI { 1809}
   (  segid "    " and resid 146  and name HG2%)
   (( segid "    " and resid 146  and name HN  ))
      6.000     4.500     0.000 peak  1809 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.749 ppm2      7.875 CV     1
 OR { 1809}
   (  segid "    " and resid 146  and name HG2%)
   (( segid "    " and resid 150  and name HN  ))
 ASSI { 1810}
   (  segid "    " and resid 146  and name HG2%)
   (( segid "    " and resid 147  and name HN  ))
      6.000     4.500     0.000 peak  1810 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.752 ppm2      7.438 CV     1
 OR { 1810}
   (  segid "    " and resid 146  and name HG2%)
   (( segid "    " and resid 120  and name HN  ))
 ASSI { 1831}
   (  segid "    " and resid 33   and name HG2%)
   (( segid "    " and resid 60   and name HN  ))
      6.000     4.500     0.000 peak  1831 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.785 ppm2      9.331 CV     1
 OR { 1831}
   (  segid "    " and resid 33   and name HG2%)
   (( segid "    " and resid 25   and name HN  ))
 ASSI { 1836}
   (  segid "    " and resid 146  and name HG2%)
   (( segid "    " and resid 145  and name HE21))
      6.000     4.500     0.000 peak  1836 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.757 ppm2      7.570 CV     1
 OR { 1836}
   (  segid "    " and resid 146  and name HG2%)
   (( segid "    " and resid 148  and name HN  ))
 ASSI { 1850}
   (  segid "    " and resid 28   and name HG2%)
   (( segid "    " and resid 72   and name HN  ))
      6.000     4.500     0.000 peak  1850 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.604 ppm2      7.805 CV     1
 OR { 1850}
   (  segid "    " and resid 28   and name HG2%)
   (( segid "    " and resid 71   and name HN  ))
 ASSI { 1876}
   (  segid "    " and resid 28   and name HD1%)
   (( segid "    " and resid 73   and name HN  ))
      6.000     4.500     0.000 peak  1876 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.827 ppm2      9.339 CV     1
 OR { 1876}
   (  segid "    " and resid 28   and name HD1%)
   (( segid "    " and resid 25   and name HN  ))
 ASSI { 1878}
   (  segid "    " and resid 28   and name HD1%)
   (( segid "    " and resid 79   and name HE22))
      6.000     4.500     0.000 peak  1878 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.817 ppm2      7.775 CV     1
 OR { 1878}
   (  segid "    " and resid 28   and name HD1%)
   (( segid "    " and resid 72   and name HN  ))
 ASSI { 1887}
   (  segid "    " and resid 7    and name HD1%)
   (( segid "    " and resid 5    and name HN  ))
      6.000     4.500     0.000 peak  1887 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.684 ppm2      9.521 CV     1
 OR { 1887}
   (  segid "    " and resid 7    and name HD1%)
   (( segid "    " and resid 57   and name HN  ))
 ASSI { 1890}
   (  segid "    " and resid 7    and name HD1%)
   (( segid "    " and resid 22   and name HN  ))
      6.000     4.500     0.000 peak  1890 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.688 ppm2      8.509 CV     1
 OR { 1890}
   (  segid "    " and resid 7    and name HD1%)
   (( segid "    " and resid 21   and name HN  ))
 ASSI { 1898}
   (  segid "    " and resid 33   and name HD1%)
   (( segid "    " and resid 25   and name HN  ))
      6.000     4.500     0.000 peak  1898 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.912 ppm2      9.338 CV     1
 OR { 1898}
   (  segid "    " and resid 33   and name HD1%)
   (( segid "    " and resid 60   and name HN  ))
 ASSI { 1910}
   (( segid "    " and resid 62   and name HB  ))
   (( segid "    " and resid 61   and name HB1 ))
      6.000     4.500     0.000 peak  1910 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.831 ppm2      1.286 CV     1
 OR { 1910}
   (( segid "    " and resid 62   and name HB  ))
   (( segid "    " and resid 66   and name HB2 ))
 ASSI { 1916}
   (( segid "    " and resid 35   and name HB  ))
   (( segid "    " and resid 34   and name HB1 ))
      6.000     4.500     0.000 peak  1916 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.119 ppm2      1.667 CV     1
 OR { 1916}
   (( segid "    " and resid 35   and name HB  ))
   (( segid "    " and resid 131  and name HG11))
 ASSI { 1921}
   (( segid "    " and resid 35   and name HB  ))
   (  segid "    " and resid 132  and name HB% )
      6.000     4.500     0.000 peak  1921 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.124 ppm2      1.001 CV     1
 OR { 1921}
   (( segid "    " and resid 35   and name HB  ))
   (  segid "    " and resid 58   and name HG1%)
 OR { 1921}
   (( segid "    " and resid 35   and name HB  ))
   (  segid "    " and resid 58   and name HG2%)
 ASSI { 1924}
   (( segid "    " and resid 149  and name HB  ))
   (( segid "    " and resid 146  and name HA  ))
      6.000     4.500     0.000 peak  1924 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.196 ppm2      3.656 CV     1
 OR { 1924}
   (( segid "    " and resid 149  and name HB  ))
   (( segid "    " and resid 147  and name HA  ))
 ASSI { 1945}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 17   and name HB2 ))
      6.000     4.500     0.000 peak  1945 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.432 ppm2      2.151 CV     1
 OR { 1945}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 17   and name HB1 ))
 OR { 1945}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 96   and name HB2 ))
 ASSI { 1946}
   (( segid "    " and resid 18   and name HA  ))
   (  segid "    " and resid 21   and name HB% )
      6.000     4.500     0.000 peak  1946 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.432 ppm2      1.553 CV     1
 OR { 1946}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 18   and name HB  ))
 ASSI { 1947}
   (( segid "    " and resid 18   and name HA  ))
   (  segid "    " and resid 22   and name HD1%)
      6.000     4.500     0.000 peak  1947 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.431 ppm2      1.138 CV     1
 OR { 1947}
   (( segid "    " and resid 18   and name HA  ))
   (  segid "    " and resid 96   and name HD2%)
 OR { 1947}
   (( segid "    " and resid 18   and name HA  ))
   (  segid "    " and resid 96   and name HD1%)
 ASSI { 1952}
   (( segid "    " and resid 73   and name HB  ))
   (( segid "    " and resid 76   and name HG12))
      6.000     4.500     0.000 peak  1952 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.959 ppm2      2.134 CV     1
 OR { 1952}
   (( segid "    " and resid 73   and name HB  ))
   (( segid "    " and resid 25   and name HB1 ))
 OR { 1952}
   (( segid "    " and resid 73   and name HB  ))
   (( segid "    " and resid 76   and name HG11))
 OR { 1952}
   (( segid "    " and resid 73   and name HB  ))
   (( segid "    " and resid 98   and name HB  ))
 ASSI { 1953}
   (( segid "    " and resid 73   and name HB  ))
   (( segid "    " and resid 76   and name HB  ))
      6.000     4.500     0.000 peak  1953 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.959 ppm2      1.861 CV     1
 OR { 1953}
   (( segid "    " and resid 73   and name HB  ))
   (( segid "    " and resid 98   and name HG11))
 ASSI { 1955}
   (( segid "    " and resid 73   and name HB  ))
   (  segid "    " and resid 5    and name HG2%)
      6.000     4.500     0.000 peak  1955 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.961 ppm2      0.841 CV     1
 OR { 1955}
   (( segid "    " and resid 73   and name HB  ))
   (  segid "    " and resid 25   and name HD2%)
 OR { 1955}
   (( segid "    " and resid 73   and name HB  ))
   (  segid "    " and resid 25   and name HD1%)
 OR { 1955}
   (( segid "    " and resid 73   and name HB  ))
   (  segid "    " and resid 76   and name HG2%)
 ASSI { 1959}
   (( segid "    " and resid 73   and name HA  ))
   (  segid "    " and resid 25   and name HD2%)
      6.000     4.500     0.000 peak  1959 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.313 ppm2      0.843 CV     1
 OR { 1959}
   (( segid "    " and resid 73   and name HA  ))
   (  segid "    " and resid 28   and name HD1%)
 OR { 1959}
   (( segid "    " and resid 73   and name HA  ))
   (  segid "    " and resid 76   and name HG2%)
 OR { 1959}
   (( segid "    " and resid 73   and name HA  ))
   (  segid "    " and resid 5    and name HG2%)
 ASSI { 1960}
   (( segid "    " and resid 73   and name HA  ))
   (( segid "    " and resid 96   and name HB1 ))
      6.000     4.500     0.000 peak  1960 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.305 ppm2      0.945 CV     1
 OR { 1960}
   (( segid "    " and resid 73   and name HA  ))
   (  segid "    " and resid 69   and name HD2%)
 ASSI { 1966}
   (( segid "    " and resid 66   and name HA  ))
   (( segid "    " and resid 69   and name HB2 ))
      6.000     4.500     0.000 peak  1966 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.362 ppm2      2.211 CV     1
 OR { 1966}
   (( segid "    " and resid 66   and name HA  ))
   (( segid "    " and resid 104  and name HB1 ))
 ASSI { 1970}
   (( segid "    " and resid 76   and name HA  ))
   (  segid "    " and resid 24   and name HB% )
      6.000     4.500     0.000 peak  1970 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.598 ppm2      1.581 CV     1
 OR { 1970}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 75   and name HG2 ))
 ASSI { 1978}
   (( segid "    " and resid 66   and name HA  ))
   (  segid "    " and resid 69   and name HD1%)
      6.000     4.500     0.000 peak  1978 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.356 ppm2      1.010 CV     1
 OR { 1978}
   (( segid "    " and resid 66   and name HA  ))
   (( segid "    " and resid 70   and name HB1 ))
 ASSI { 1982}
   (( segid "    " and resid 138  and name HA  ))
   (  segid "    " and resid 136  and name HG2%)
      6.000     4.500     0.000 peak  1982 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.489 ppm2      1.029 CV     1
 OR { 1982}
   (( segid "    " and resid 138  and name HA  ))
   (  segid "    " and resid 105  and name HG2%)
 OR { 1982}
   (( segid "    " and resid 138  and name HA  ))
   (  segid "    " and resid 105  and name HG1%)
 ASSI { 1984}
   (( segid "    " and resid 37   and name HB2 ))
   (  segid "    " and resid 57   and name HB% )
      6.000     4.500     0.000 peak  1984 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.089 ppm2      1.373 CV     1
 OR { 1984}
   (( segid "    " and resid 37   and name HB2 ))
   (  segid "    " and resid 36   and name HG2%)
 ASSI { 1991}
   (( segid "    " and resid 9    and name HB1 ))
   (  segid "    " and resid 18   and name HG1%)
      6.000     4.500     0.000 peak  1991 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.872 ppm2      0.637 CV     1
 OR { 1991}
   (( segid "    " and resid 9    and name HB1 ))
   (( segid "    " and resid 10   and name HB2 ))
 ASSI { 1993}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 75   and name HA  ))
      6.000     4.500     0.000 peak  1993 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.602 ppm2      4.168 CV     1
 OR { 1993}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 21   and name HA  ))
 OR { 1993}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 78   and name HA  ))
 ASSI { 1998}
   (( segid "    " and resid 76   and name HA  ))
   (  segid "    " and resid 76   and name HG2%)
      6.000     4.500     0.000 peak  1998 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.601 ppm2      0.847 CV     1
 OR { 1998}
   (( segid "    " and resid 76   and name HA  ))
   (  segid "    " and resid 25   and name HD2%)
 ASSI { 2010}
   (( segid "    " and resid 9    and name HB2 ))
   (  segid "    " and resid 18   and name HG1%)
      6.000     4.500     0.000 peak  2010 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.093 ppm2      0.637 CV     1
 OR { 2010}
   (( segid "    " and resid 9    and name HB2 ))
   (( segid "    " and resid 10   and name HB2 ))
 ASSI { 2019}
   (( segid "    " and resid 146  and name HA  ))
   (  segid "    " and resid 149  and name HG2%)
      6.000     4.500     0.000 peak  2019 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.651 ppm2      1.282 CV     1
 OR { 2019}
   (( segid "    " and resid 146  and name HA  ))
   (( segid "    " and resid 150  and name HB2 ))
 ASSI { 2022}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 17   and name HB2 ))
      6.000     4.500     0.000 peak  2022 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.316 ppm2      2.175 CV     1
 OR { 2022}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 14   and name HG2 ))
 OR { 2022}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 17   and name HB1 ))
 ASSI { 2027}
   (( segid "    " and resid 146  and name HA  ))
   (  segid "    " and resid 146  and name HD1%)
      6.000     4.500     0.000 peak  2027 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.656 ppm2      0.482 CV     1
 OR { 2027}
   (( segid "    " and resid 146  and name HA  ))
   (  segid "    " and resid 125  and name HD1%)
 OR { 2027}
   (( segid "    " and resid 146  and name HA  ))
   (  segid "    " and resid 125  and name HD2%)
 ASSI { 2034}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 10   and name HB2 ))
      6.000     4.500     0.000 peak  2034 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.315 ppm2      0.639 CV     1
 OR { 2034}
   (( segid "    " and resid 14   and name HA  ))
   (  segid "    " and resid 18   and name HG1%)
 ASSI { 2037}
   (( segid "    " and resid 133  and name HA  ))
   (( segid "    " and resid 133  and name HG2 ))
      6.000     4.500     0.000 peak  2037 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.118 ppm2      1.790 CV     1
 OR { 2037}
   (( segid "    " and resid 133  and name HA  ))
   (( segid "    " and resid 133  and name HG1 ))
 OR { 2037}
   (( segid "    " and resid 133  and name HA  ))
   (( segid "    " and resid 144  and name HB1 ))
 ASSI { 2042}
   (( segid "    " and resid 149  and name HA  ))
   (( segid "    " and resid 147  and name HA  ))
      6.000     4.500     0.000 peak  2042 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.023 ppm2      3.651 CV     1
 OR { 2042}
   (( segid "    " and resid 149  and name HA  ))
   (( segid "    " and resid 146  and name HA  ))
 ASSI { 2058}
   (( segid "    " and resid 47   and name HA  ))
   (( segid "    " and resid 48   and name HA  ))
      6.000     4.500     0.000 peak  2058 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.474 ppm2      4.338 CV     1
 OR { 2058}
   (( segid "    " and resid 47   and name HA  ))
   (( segid "    " and resid 90   and name HA2 ))
 ASSI { 2083}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 33   and name HB  ))
      6.000     4.500     0.000 peak  2083 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.895 ppm2      1.779 CV     1
 OR { 2083}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 61   and name HB2 ))
 ASSI { 2084}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 33   and name HG12))
      6.000     4.500     0.000 peak  2084 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.898 ppm2      1.591 CV     1
 OR { 2084}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 33   and name HG11))
 OR { 2084}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 34   and name HB2 ))
 ASSI { 2085}
   (( segid "    " and resid 33   and name HA  ))
   (  segid "    " and resid 60   and name HD1%)
      6.000     4.500     0.000 peak  2085 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.895 ppm2      0.769 CV     1
 OR { 2085}
   (( segid "    " and resid 33   and name HA  ))
   (  segid "    " and resid 33   and name HG2%)
 ASSI { 2114}
   (( segid "    " and resid 13   and name HB1 ))
   (( segid "    " and resid 12   and name HA  ))
      6.000     4.500     0.000 peak  2114 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.411 ppm2      3.903 CV     1
 OR { 2114}
   (( segid "    " and resid 13   and name HB1 ))
   (( segid "    " and resid 9    and name HB1 ))
 ASSI { 2116}
   (( segid "    " and resid 13   and name HB1 ))
   (( segid "    " and resid 16   and name HG1 ))
      6.000     4.500     0.000 peak  2116 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.408 ppm2      2.326 CV     1
 OR { 2116}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 75   and name HB1 ))
 ASSI { 2119}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 75   and name HG2 ))
      6.000     4.500     0.000 peak  2119 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.405 ppm2      1.626 CV     1
 OR { 2119}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 69   and name HG  ))
 ASSI { 2125}
   (( segid "    " and resid 83   and name HA  ))
   (( segid "    " and resid 82   and name HG2 ))
      6.000     4.500     0.000 peak  2125 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.271 ppm2      1.805 CV     1
 OR { 2125}
   (( segid "    " and resid 83   and name HA  ))
   (( segid "    " and resid 92   and name HG1 ))
 ASSI { 2131}
   (( segid "    " and resid 13   and name HB2 ))
   (  segid "    " and resid 12   and name HB% )
      6.000     4.500     0.000 peak  2131 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.153 ppm2      1.262 CV     1
 OR { 2131}
   (( segid "    " and resid 13   and name HB2 ))
   (( segid "    " and resid 15   and name HB2 ))
 ASSI { 2132}
   (( segid "    " and resid 13   and name HB2 ))
   (( segid "    " and resid 12   and name HA  ))
      6.000     4.500     0.000 peak  2132 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.152 ppm2      3.893 CV     1
 OR { 2132}
   (( segid "    " and resid 13   and name HB2 ))
   (( segid "    " and resid 9    and name HB1 ))
 ASSI { 2135}
   (( segid "    " and resid 131  and name HA  ))
   (  segid "    " and resid 59   and name HB% )
      6.000     4.500     0.000 peak  2135 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.506 ppm2      1.275 CV     1
 OR { 2135}
   (( segid "    " and resid 131  and name HA  ))
   (  segid "    " and resid 35   and name HG2%)
 ASSI { 2138}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 75   and name HB2 ))
      6.000     4.500     0.000 peak  2138 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.397 ppm2      1.911 CV     1
 OR { 2138}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 74   and name HB2 ))
 ASSI { 2148}
   (( segid "    " and resid 77   and name HA  ))
   (( segid "    " and resid 78   and name HA  ))
      6.000     4.500     0.000 peak  2148 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.768 ppm2      4.167 CV     1
 OR { 2148}
   (( segid "    " and resid 77   and name HA  ))
   (( segid "    " and resid 21   and name HA  ))
 OR { 2148}
   (( segid "    " and resid 77   and name HA  ))
   (( segid "    " and resid 75   and name HA  ))
 ASSI { 2149}
   (( segid "    " and resid 77   and name HA  ))
   (( segid "    " and resid 77   and name HG2 ))
      6.000     4.500     0.000 peak  2149 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.766 ppm2      2.863 CV     1
 OR { 2149}
   (( segid "    " and resid 77   and name HA  ))
   (( segid "    " and resid 80   and name HB2 ))
 ASSI { 2152}
   (( segid "    " and resid 77   and name HA  ))
   (( segid "    " and resid 77   and name HB2 ))
      6.000     4.500     0.000 peak  2152 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.765 ppm2      1.812 CV     1
 OR { 2152}
   (( segid "    " and resid 77   and name HA  ))
   (( segid "    " and resid 80   and name HB1 ))
 ASSI { 2155}
   (( segid "    " and resid 77   and name HA  ))
   (  segid "    " and resid 76   and name HG2%)
      6.000     4.500     0.000 peak  2155 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.767 ppm2      0.824 CV     1
 OR { 2155}
   (( segid "    " and resid 77   and name HA  ))
   (  segid "    " and resid 7    and name HG2%)
 ASSI { 2156}
   (( segid "    " and resid 77   and name HA  ))
   (( segid "    " and resid 80   and name HG2 ))
      6.000     4.500     0.000 peak  2156 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.758 ppm2      2.273 CV     1
 OR { 2156}
   (( segid "    " and resid 77   and name HA  ))
   (( segid "    " and resid 79   and name HB2 ))
 ASSI { 2159}
   (( segid "    " and resid 118  and name HA  ))
   (( segid "    " and resid 121  and name HG1 ))
      6.000     4.500     0.000 peak  2159 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.871 ppm2      0.748 CV     1
 OR { 2159}
   (( segid "    " and resid 118  and name HA  ))
   (  segid "    " and resid 146  and name HG2%)
 ASSI { 2165}
   (( segid "    " and resid 118  and name HA  ))
   (( segid "    " and resid 121  and name HD1 ))
      6.000     4.500     0.000 peak  2165 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.859 ppm2      2.343 CV     1
 OR { 2165}
   (( segid "    " and resid 129  and name HA  ))
   (( segid "    " and resid 134  and name HB1 ))
 OR { 2165}
   (( segid "    " and resid 129  and name HA  ))
   (( segid "    " and resid 134  and name HG1 ))
 ASSI { 2169}
   (( segid "    " and resid 118  and name HA  ))
   (( segid "    " and resid 121  and name HG2 ))
      6.000     4.500     0.000 peak  2169 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.861 ppm2      1.330 CV     1
 OR { 2169}
   (( segid "    " and resid 118  and name HA  ))
   (( segid "    " and resid 119  and name HG1 ))
 ASSI { 2187}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 79   and name HG2 ))
      6.000     4.500     0.000 peak  2187 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.148 ppm2      2.599 CV     1
 OR { 2187}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 77   and name HB1 ))
 ASSI { 2204}
   (( segid "    " and resid 67   and name HA  ))
   (( segid "    " and resid 66   and name HB2 ))
      6.000     4.500     0.000 peak  2204 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.661 ppm2      1.317 CV     1
 OR { 2204}
   (( segid "    " and resid 67   and name HA  ))
   (( segid "    " and resid 69   and name HB1 ))
 ASSI { 2212}
   (( segid "    " and resid 144  and name HA  ))
   (( segid "    " and resid 143  and name HG  ))
      6.000     4.500     0.000 peak  2212 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.529 ppm2      0.967 CV     1
 OR { 2212}
   (( segid "    " and resid 144  and name HA  ))
   (( segid "    " and resid 146  and name HG11))
 ASSI { 2213}
   (( segid "    " and resid 144  and name HA  ))
   (( segid "    " and resid 147  and name HA  ))
      6.000     4.500     0.000 peak  2213 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.526 ppm2      3.659 CV     1
 OR { 2213}
   (( segid "    " and resid 144  and name HA  ))
   (( segid "    " and resid 146  and name HA  ))
 ASSI { 2226}
   (( segid "    " and resid 37   and name HA  ))
   (  segid "    " and resid 36   and name HG2%)
      6.000     4.500     0.000 peak  2226 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.276 ppm2      1.355 CV     1
 OR { 2226}
   (( segid "    " and resid 37   and name HA  ))
   (  segid "    " and resid 57   and name HB% )
 ASSI { 2237}
   (( segid "    " and resid 23   and name HA  ))
   (  segid "    " and resid 22   and name HD2%)
      6.000     4.500     0.000 peak  2237 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.006 ppm2      0.874 CV     1
 OR { 2237}
   (( segid "    " and resid 23   and name HA  ))
   (  segid "    " and resid 25   and name HD1%)
 OR { 2237}
   (( segid "    " and resid 23   and name HA  ))
   (  segid "    " and resid 25   and name HD2%)
 ASSI { 2243}
   (( segid "    " and resid 119  and name HA  ))
   (  segid "    " and resid 125  and name HD1%)
      6.000     4.500     0.000 peak  2243 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.803 ppm2      0.487 CV     1
 OR { 2243}
   (( segid "    " and resid 119  and name HA  ))
   (  segid "    " and resid 125  and name HD2%)
 OR { 2243}
   (( segid "    " and resid 119  and name HA  ))
   (  segid "    " and resid 146  and name HD1%)
 ASSI { 2249}
   (( segid "    " and resid 137  and name HA  ))
   (  segid "    " and resid 136  and name HG2%)
      6.000     4.500     0.000 peak  2249 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.317 ppm2      1.053 CV     1
 OR { 2249}
   (( segid "    " and resid 137  and name HA  ))
   (  segid "    " and resid 136  and name HG1%)
 OR { 2249}
   (( segid "    " and resid 137  and name HA  ))
   (  segid "    " and resid 105  and name HG2%)
 ASSI { 2253}
   (( segid "    " and resid 143  and name HA  ))
   (( segid "    " and resid 146  and name HB  ))
      6.000     4.500     0.000 peak  2253 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.093 ppm2      1.790 CV     1
 OR { 2253}
   (( segid "    " and resid 143  and name HA  ))
   (( segid "    " and resid 144  and name HB1 ))
 ASSI { 2254}
   (( segid "    " and resid 143  and name HA  ))
   (( segid "    " and resid 133  and name HB1 ))
      6.000     4.500     0.000 peak  2254 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.100 ppm2      1.527 CV     1
 OR { 2254}
   (( segid "    " and resid 143  and name HA  ))
   (( segid "    " and resid 119  and name HB1 ))
 ASSI { 2258}
   (( segid "    " and resid 143  and name HA  ))
   (  segid "    " and resid 146  and name HD1%)
      6.000     4.500     0.000 peak  2258 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.099 ppm2      0.480 CV     1
 OR { 2258}
   (( segid "    " and resid 143  and name HA  ))
   (  segid "    " and resid 125  and name HD2%)
 ASSI { 2278}
   (( segid "    " and resid 78   and name HA  ))
   (( segid "    " and resid 82   and name HB1 ))
      6.000     4.500     0.000 peak  2278 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.205 ppm2      1.612 CV     1
 OR { 2278}
   (( segid "    " and resid 69   and name HA  ))
   (( segid "    " and resid 69   and name HG  ))
 OR { 2278}
   (( segid "    " and resid 78   and name HA  ))
   (( segid "    " and resid 82   and name HB2 ))
 ASSI { 2288}
   (( segid "    " and resid 79   and name HA  ))
   (( segid "    " and resid 79   and name HB2 ))
      6.000     4.500     0.000 peak  2288 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.200 ppm2      2.282 CV     1
 OR { 2288}
   (( segid "    " and resid 69   and name HA  ))
   (( segid "    " and resid 68   and name HB1 ))
 ASSI { 2290}
   (( segid "    " and resid 78   and name HA  ))
   (( segid "    " and resid 78   and name HB1 ))
      6.000     4.500     0.000 peak  2290 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.185 ppm2      1.794 CV     1
 OR { 2290}
   (( segid "    " and resid 78   and name HA  ))
   (( segid "    " and resid 82   and name HG2 ))
 OR { 2290}
   (( segid "    " and resid 69   and name HA  ))
   (( segid "    " and resid 64   and name HB2 ))
 ASSI { 2297}
   (( segid "    " and resid 22   and name HA  ))
   (  segid "    " and resid 25   and name HD1%)
      6.000     4.500     0.000 peak  2297 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.972 ppm2      0.861 CV     1
 OR { 2297}
   (( segid "    " and resid 22   and name HA  ))
   (  segid "    " and resid 22   and name HD2%)
 ASSI { 2299}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 15   and name HG  ))
      6.000     4.500     0.000 peak  2299 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.422 ppm2      1.522 CV     1
 OR { 2299}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 18   and name HB  ))
 ASSI { 2302}
   (( segid "    " and resid 123  and name HA  ))
   (( segid "    " and resid 154  and name HE1 ))
      6.000     4.500     0.000 peak  2302 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.359 ppm2      2.848 CV     1
 OR { 2302}
   (( segid "    " and resid 123  and name HA  ))
   (( segid "    " and resid 154  and name HE2 ))
 OR { 2302}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 41   and name HD1 ))
 ASSI { 2303}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 68   and name HG1 ))
      6.000     4.500     0.000 peak  2303 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.350 ppm2      2.407 CV     1
 OR { 2303}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 10   and name HB1 ))
 OR { 2303}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 68   and name HG2 ))
 ASSI { 2304}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 44   and name HG1 ))
      6.000     4.500     0.000 peak  2304 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.348 ppm2      2.230 CV     1
 OR { 2304}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 44   and name HG2 ))
 OR { 2304}
   (( segid "    " and resid 123  and name HA  ))
   (( segid "    " and resid 55   and name HB2 ))
 OR { 2304}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 69   and name HB2 ))
 ASSI { 2305}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 14   and name HG1 ))
      6.000     4.500     0.000 peak  2305 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.360 ppm2      1.446 CV     1
 OR { 2305}
   (( segid "    " and resid 123  and name HA  ))
   (( segid "    " and resid 155  and name HB2 ))
 OR { 2305}
   (( segid "    " and resid 123  and name HA  ))
   (( segid "    " and resid 155  and name HB1 ))
 OR { 2305}
   (( segid "    " and resid 68   and name HA  ))
   (  segid "    " and resid 65   and name HB% )
 OR { 2305}
   (( segid "    " and resid 123  and name HA  ))
   (  segid "    " and resid 42   and name HG2%)
 ASSI { 2312}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 19   and name HB2 ))
      6.000     4.500     0.000 peak  2312 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.996 ppm2      2.865 CV     1
 OR { 2312}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 80   and name HB2 ))
 ASSI { 2315}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 22   and name HB2 ))
      6.000     4.500     0.000 peak  2315 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.988 ppm2      1.460 CV     1
 OR { 2315}
   (( segid "    " and resid 17   and name HA  ))
   (  segid "    " and resid 20   and name HB% )
 ASSI { 2316}
   (( segid "    " and resid 17   and name HA  ))
   (  segid "    " and resid 12   and name HB% )
      6.000     4.500     0.000 peak  2316 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.988 ppm2      1.288 CV     1
 OR { 2316}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 15   and name HB2 ))
 ASSI { 2319}
   (( segid "    " and resid 15   and name HA  ))
   (  segid "    " and resid 18   and name HG2%)
      6.000     4.500     0.000 peak  2319 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.425 ppm2      0.235 CV     1
 OR { 2319}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 54   and name HG  ))
 ASSI { 2331}
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 28   and name HB  ))
      6.000     4.500     0.000 peak  2331 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.896 ppm2      1.579 CV     1
 OR { 2331}
   (( segid "    " and resid 25   and name HA  ))
   (  segid "    " and resid 24   and name HB% )
 ASSI { 2332}
   (( segid "    " and resid 25   and name HA  ))
   (  segid "    " and resid 25   and name HD2%)
      6.000     4.500     0.000 peak  2332 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.892 ppm2      0.830 CV     1
 OR { 2332}
   (( segid "    " and resid 25   and name HA  ))
   (  segid "    " and resid 28   and name HD1%)
 OR { 2332}
   (( segid "    " and resid 25   and name HA  ))
   (  segid "    " and resid 25   and name HD1%)
 ASSI { 2336}
   (( segid "    " and resid 125  and name HA  ))
   (( segid "    " and resid 125  and name HB2 ))
      6.000     4.500     0.000 peak  2336 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.821 ppm2      0.965 CV     1
 OR { 2336}
   (( segid "    " and resid 125  and name HA  ))
   (( segid "    " and resid 143  and name HG  ))
 ASSI { 2341}
   (( segid "    " and resid 147  and name HA  ))
   (( segid "    " and resid 119  and name HA  ))
      6.000     4.500     0.000 peak  2341 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.677 ppm2      3.813 CV     1
 OR { 2341}
   (( segid "    " and resid 147  and name HA  ))
   (( segid "    " and resid 125  and name HA  ))
 ASSI { 2358}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 14   and name HG2 ))
      6.000     4.500     0.000 peak  2358 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.088 ppm2      2.175 CV     1
 OR { 2358}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 16   and name HB1 ))
 ASSI { 2392}
   (( segid "    " and resid 34   and name HA  ))
   (( segid "    " and resid 61   and name HB1 ))
      6.000     4.500     0.000 peak  2392 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.547 ppm2      1.288 CV     1
 OR { 2392}
   (( segid "    " and resid 34   and name HA  ))
   (  segid "    " and resid 35   and name HG2%)
 ASSI { 2398}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 11   and name HB1 ))
      6.000     4.500     0.000 peak  2398 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.339 ppm2      0.988 CV     1
 OR { 2398}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 98   and name HG12))
 OR { 2398}
   (( segid "    " and resid 48   and name HA  ))
   (  segid "    " and resid 83   and name HG2%)
 ASSI { 2406}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 70   and name HG  ))
      6.000     4.500     0.000 peak  2406 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.320 ppm2      1.351 CV     1
 OR { 2406}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 111  and name HB2 ))
 ASSI { 2412}
   (( segid "    " and resid 80   and name HA  ))
   (( segid "    " and resid 80   and name HB1 ))
      6.000     4.500     0.000 peak  2412 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.540 ppm2      1.784 CV     1
 OR { 2412}
   (( segid "    " and resid 34   and name HA  ))
   (( segid "    " and resid 61   and name HB2 ))
 ASSI { 2415}
   (( segid "    " and resid 82   and name HA  ))
   (( segid "    " and resid 82   and name HD1 ))
      6.000     4.500     0.000 peak  2415 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.393 ppm2      3.525 CV     1
 OR { 2415}
   (( segid "    " and resid 82   and name HA  ))
   (( segid "    " and resid 92   and name HD1 ))
 ASSI { 2416}
   (( segid "    " and resid 82   and name HA  ))
   (( segid "    " and resid 82   and name HD2 ))
      6.000     4.500     0.000 peak  2416 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.397 ppm2      3.351 CV     1
 OR { 2416}
   (( segid "    " and resid 82   and name HA  ))
   (( segid "    " and resid 92   and name HD2 ))
 ASSI { 2435}
   (( segid "    " and resid 21   and name HA  ))
   (  segid "    " and resid 21   and name HB% )
      6.000     4.500     0.000 peak  2435 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.137 ppm2      1.567 CV     1
 OR { 2435}
   (( segid "    " and resid 21   and name HA  ))
   (  segid "    " and resid 24   and name HB% )
 ASSI { 2436}
   (( segid "    " and resid 21   and name HA  ))
   (  segid "    " and resid 96   and name HD2%)
      6.000     4.500     0.000 peak  2436 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.134 ppm2      1.164 CV     1
 OR { 2436}
   (( segid "    " and resid 21   and name HA  ))
   (  segid "    " and resid 22   and name HD1%)
 ASSI { 2443}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 30   and name HB1 ))
      6.000     4.500     0.000 peak  2443 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.256 ppm2      2.408 CV     1
 OR { 2443}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 29   and name HB2 ))
 OR { 2443}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 68   and name HG2 ))
 ASSI { 2455}
   (( segid "    " and resid 111  and name HA  ))
   (( segid "    " and resid 70   and name HB1 ))
      6.000     4.500     0.000 peak  2455 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.912 ppm2      1.035 CV     1
 OR { 2455}
   (( segid "    " and resid 111  and name HA  ))
   (( segid "    " and resid 111  and name HG  ))
 ASSI { 2465}
   (( segid "    " and resid 155  and name HA  ))
   (( segid "    " and resid 156  and name HB1 ))
      6.000     4.500     0.000 peak  2465 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.461 ppm2      2.859 CV     1
 OR { 2465}
   (( segid "    " and resid 155  and name HA  ))
   (( segid "    " and resid 156  and name HB2 ))
 OR { 2465}
   (( segid "    " and resid 155  and name HA  ))
   (( segid "    " and resid 154  and name HE1 ))
 ASSI { 2481}
   (( segid "    " and resid 114  and name HD1 ))
   (  segid "    " and resid 105  and name HG2%)
      6.000     4.500     0.000 peak  2481 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.181 ppm2      1.037 CV     1
 OR { 2481}
   (( segid "    " and resid 114  and name HD1 ))
   (  segid "    " and resid 105  and name HG1%)
 OR { 2481}
   (( segid "    " and resid 114  and name HD1 ))
   (( segid "    " and resid 111  and name HG  ))
 OR { 2481}
   (( segid "    " and resid 114  and name HD1 ))
   (( segid "    " and resid 70   and name HB1 ))
 ASSI { 2484}
   (( segid "    " and resid 114  and name HD1 ))
   (( segid "    " and resid 114  and name HG2 ))
      6.000     4.500     0.000 peak  2484 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.172 ppm2      2.006 CV     1
 OR { 2484}
   (( segid "    " and resid 114  and name HD1 ))
   (( segid "    " and resid 100  and name HB2 ))
 ASSI { 2490}
   (( segid "    " and resid 44   and name HD1 ))
   (( segid "    " and resid 43   and name HB1 ))
      6.000     4.500     0.000 peak  2490 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.119 ppm2      2.452 CV     1
 OR { 2490}
   (( segid "    " and resid 44   and name HD1 ))
   (( segid "    " and resid 52   and name HB1 ))
 ASSI { 2491}
   (( segid "    " and resid 44   and name HD1 ))
   (( segid "    " and resid 51   and name HB2 ))
      6.000     4.500     0.000 peak  2491 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.114 ppm2      2.179 CV     1
 OR { 2491}
   (( segid "    " and resid 44   and name HD1 ))
   (( segid "    " and resid 14   and name HG2 ))
 ASSI { 2493}
   (( segid "    " and resid 138  and name HD2 ))
   (  segid "    " and resid 105  and name HG2%)
      6.000     4.500     0.000 peak  2493 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.037 ppm2      1.066 CV     1
 OR { 2493}
   (( segid "    " and resid 138  and name HD1 ))
   (  segid "    " and resid 105  and name HG2%)
 OR { 2493}
   (( segid "    " and resid 138  and name HD2 ))
   (  segid "    " and resid 136  and name HG2%)
 ASSI { 2496}
   (( segid "    " and resid 47   and name HD1 ))
   (( segid "    " and resid 47   and name HB1 ))
      6.000     4.500     0.000 peak  2496 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.031 ppm2      2.446 CV     1
 OR { 2496}
   (( segid "    " and resid 138  and name HD1 ))
   (( segid "    " and resid 138  and name HB1 ))
 OR { 2496}
   (( segid "    " and resid 47   and name HD2 ))
   (( segid "    " and resid 47   and name HB1 ))
 OR { 2496}
   (( segid "    " and resid 138  and name HD2 ))
   (( segid "    " and resid 138  and name HB1 ))
 ASSI { 2497}
   (( segid "    " and resid 47   and name HD1 ))
   (( segid "    " and resid 47   and name HG1 ))
      6.000     4.500     0.000 peak  2497 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.029 ppm2      2.005 CV     1
 OR { 2497}
   (( segid "    " and resid 138  and name HD2 ))
   (( segid "    " and resid 138  and name HG2 ))
 OR { 2497}
   (( segid "    " and resid 138  and name HD1 ))
   (( segid "    " and resid 138  and name HG1 ))
 OR { 2497}
   (( segid "    " and resid 138  and name HD1 ))
   (( segid "    " and resid 138  and name HG2 ))
 OR { 2497}
   (( segid "    " and resid 138  and name HD2 ))
   (( segid "    " and resid 138  and name HG1 ))
 OR { 2497}
   (( segid "    " and resid 47   and name HD2 ))
   (( segid "    " and resid 47   and name HG1 ))
 ASSI { 2498}
   (( segid "    " and resid 138  and name HD2 ))
   (( segid "    " and resid 138  and name HB2 ))
      6.000     4.500     0.000 peak  2498 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.031 ppm2      1.853 CV     1
 OR { 2498}
   (( segid "    " and resid 47   and name HD2 ))
   (( segid "    " and resid 47   and name HB2 ))
 OR { 2498}
   (( segid "    " and resid 138  and name HD1 ))
   (( segid "    " and resid 138  and name HB2 ))
 OR { 2498}
   (( segid "    " and resid 47   and name HD1 ))
   (( segid "    " and resid 47   and name HB2 ))
 ASSI { 2499}
   (( segid "    " and resid 138  and name HD1 ))
   (( segid "    " and resid 137  and name HA  ))
      6.000     4.500     0.000 peak  2499 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.018 ppm2      4.312 CV     1
 OR { 2499}
   (( segid "    " and resid 138  and name HD2 ))
   (( segid "    " and resid 137  and name HA  ))
 OR { 2499}
   (( segid "    " and resid 47   and name HD2 ))
   (( segid "    " and resid 90   and name HA2 ))
 ASSI { 2503}
   (( segid "    " and resid 51   and name HD1 ))
   (( segid "    " and resid 11   and name HG  ))
      6.000     4.500     0.000 peak  2503 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.869 ppm2      0.794 CV     1
 OR { 2503}
   (( segid "    " and resid 44   and name HD2 ))
   (( segid "    " and resid 11   and name HG  ))
 OR { 2503}
   (( segid "    " and resid 44   and name HD2 ))
   (( segid "    " and resid 155  and name HG  ))
 ASSI { 2509}
   (( segid "    " and resid 44   and name HD2 ))
   (( segid "    " and resid 50   and name HB1 ))
      6.000     4.500     0.000 peak  2509 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.841 ppm2      2.018 CV     1
 OR { 2509}
   (( segid "    " and resid 43   and name HD2 ))
   (( segid "    " and resid 43   and name HB2 ))
 OR { 2509}
   (( segid "    " and resid 43   and name HD1 ))
   (( segid "    " and resid 43   and name HB2 ))
 OR { 2509}
   (( segid "    " and resid 44   and name HD2 ))
   (( segid "    " and resid 50   and name HB2 ))
 ASSI { 2511}
   (( segid "    " and resid 43   and name HD1 ))
   (( segid "    " and resid 43   and name HB1 ))
      6.000     4.500     0.000 peak  2511 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.840 ppm2      2.445 CV     1
 OR { 2511}
   (( segid "    " and resid 43   and name HD2 ))
   (( segid "    " and resid 43   and name HB1 ))
 OR { 2511}
   (( segid "    " and resid 44   and name HD2 ))
   (( segid "    " and resid 43   and name HB1 ))
 ASSI { 2529}
   (( segid "    " and resid 29   and name HD2 ))
   (( segid "    " and resid 64   and name HG  ))
      6.000     4.500     0.000 peak  2529 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.764 ppm2      0.749 CV     1
 OR { 2529}
   (( segid "    " and resid 29   and name HD2 ))
   (  segid "    " and resid 60   and name HD1%)
 ASSI { 2539}
   (( segid "    " and resid 127  and name HD1 ))
   (( segid "    " and resid 127  and name HB1 ))
      6.000     4.500     0.000 peak  2539 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.398 ppm2      2.719 CV     1
 OR { 2539}
   (( segid "    " and resid 127  and name HD1 ))
   (( segid "    " and resid 40   and name HB1 ))
 ASSI { 2549}
   (( segid "    " and resid 127  and name HD2 ))
   (( segid "    " and resid 127  and name HG2 ))
      6.000     4.500     0.000 peak  2549 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.226 ppm2      2.047 CV     1
 OR { 2549}
   (( segid "    " and resid 127  and name HD2 ))
   (( segid "    " and resid 128  and name HB2 ))
 ASSI { 2614}
   (( segid "    " and resid 122  and name HA1 ))
   (( segid "    " and resid 152  and name HB2 ))
      6.000     4.500     0.000 peak  2614 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.159 ppm2      3.381 CV     1
 OR { 2614}
   (( segid "    " and resid 122  and name HA1 ))
   (( segid "    " and resid 127  and name HD1 ))
 ASSI { 2615}
   (( segid "    " and resid 122  and name HA1 ))
   (( segid "    " and resid 122  and name HA2 ))
      6.000     4.500     0.000 peak  2615 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.159 ppm2      2.873 CV     1
 OR { 2615}
   (( segid "    " and resid 122  and name HA1 ))
   (( segid "    " and resid 154  and name HE1 ))
 ASSI { 2624}
   (( segid "    " and resid 102  and name HA2 ))
   (( segid "    " and resid 2    and name HB  ))
      6.000     4.500     0.000 peak  2624 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.885 ppm2      1.761 CV     1
 OR { 2624}
   (( segid "    " and resid 102  and name HA1 ))
   (( segid "    " and resid 2    and name HB  ))
 OR { 2624}
   (( segid "    " and resid 102  and name HA2 ))
   (( segid "    " and resid 135  and name HB2 ))
 OR { 2624}
   (( segid "    " and resid 102  and name HA1 ))
   (( segid "    " and resid 135  and name HB2 ))
 ASSI { 2627}
   (( segid "    " and resid 122  and name HA2 ))
   (( segid "    " and resid 152  and name HB2 ))
      6.000     4.500     0.000 peak  2627 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.884 ppm2      3.368 CV     1
 OR { 2627}
   (( segid "    " and resid 122  and name HA2 ))
   (( segid "    " and resid 123  and name HB2 ))
 ASSI { 2641}
   (( segid "    " and resid 60   and name HB2 ))
   (  segid "    " and resid 25   and name HD1%)
      6.000     4.500     0.000 peak  2641 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.033 ppm2      0.844 CV     1
 OR { 2641}
   (( segid "    " and resid 60   and name HB2 ))
   (  segid "    " and resid 25   and name HD2%)
 OR { 2641}
   (( segid "    " and resid 60   and name HB2 ))
   (  segid "    " and resid 5    and name HG2%)
 ASSI { 2643}
   (( segid "    " and resid 60   and name HB2 ))
   (( segid "    " and resid 5    and name HG11))
      6.000     4.500     0.000 peak  2643 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.023 ppm2      1.575 CV     1
 OR { 2643}
   (( segid "    " and resid 60   and name HB2 ))
   (( segid "    " and resid 5    and name HG12))
 OR { 2643}
   (( segid "    " and resid 60   and name HB2 ))
   (( segid "    " and resid 34   and name HB2 ))
 ASSI { 2649}
   (( segid "    " and resid 26   and name HA2 ))
   (( segid "    " and resid 33   and name HG11))
      6.000     4.500     0.000 peak  2649 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.973 ppm2      1.596 CV     1
 OR { 2649}
   (( segid "    " and resid 26   and name HA2 ))
   (( segid "    " and resid 28   and name HB  ))
 OR { 2649}
   (( segid "    " and resid 26   and name HA2 ))
   (( segid "    " and resid 33   and name HG12))
 ASSI { 2651}
   (( segid "    " and resid 26   and name HA2 ))
   (  segid "    " and resid 60   and name HD1%)
      6.000     4.500     0.000 peak  2651 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.975 ppm2      0.773 CV     1
 OR { 2651}
   (( segid "    " and resid 26   and name HA2 ))
   (  segid "    " and resid 33   and name HG2%)
 ASSI { 2652}
   (( segid "    " and resid 26   and name HA1 ))
   (( segid "    " and resid 33   and name HG11))
      6.000     4.500     0.000 peak  2652 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.882 ppm2      1.588 CV     1
 OR { 2652}
   (( segid "    " and resid 26   and name HA1 ))
   (( segid "    " and resid 28   and name HB  ))
 OR { 2652}
   (( segid "    " and resid 26   and name HA1 ))
   (( segid "    " and resid 33   and name HG12))
 OR { 2652}
   (( segid "    " and resid 26   and name HA1 ))
   (  segid "    " and resid 24   and name HB% )
 ASSI { 2658}
   (( segid "    " and resid 55   and name HB1 ))
   (  segid "    " and resid 42   and name HG2%)
      6.000     4.500     0.000 peak  2658 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.354 ppm2      1.444 CV     1
 OR { 2658}
   (( segid "    " and resid 55   and name HB1 ))
   (  segid "    " and resid 56   and name HB% )
 OR { 2658}
   (( segid "    " and resid 55   and name HB1 ))
   (( segid "    " and resid 155  and name HB1 ))
 OR { 2658}
   (( segid "    " and resid 55   and name HB1 ))
   (( segid "    " and resid 155  and name HB2 ))
 ASSI { 2660}
   (( segid "    " and resid 55   and name HB2 ))
   (  segid "    " and resid 42   and name HG2%)
      6.000     4.500     0.000 peak  2660 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.231 ppm2      1.467 CV     1
 OR { 2660}
   (( segid "    " and resid 55   and name HB2 ))
   (( segid "    " and resid 7    and name HB  ))
 OR { 2660}
   (( segid "    " and resid 55   and name HB2 ))
   (( segid "    " and resid 155  and name HB1 ))
 ASSI { 2684}
   (( segid "    " and resid 94   and name HB2 ))
   (  segid "    " and resid 76   and name HG2%)
      6.000     4.500     0.000 peak  2684 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.538 ppm2      0.838 CV     1
 OR { 2684}
   (( segid "    " and resid 94   and name HB1 ))
   (  segid "    " and resid 76   and name HG2%)
 OR { 2684}
   (( segid "    " and resid 94   and name HB2 ))
   (  segid "    " and resid 5    and name HG2%)
 OR { 2684}
   (( segid "    " and resid 94   and name HB2 ))
   (  segid "    " and resid 25   and name HD2%)
 OR { 2684}
   (( segid "    " and resid 94   and name HB1 ))
   (  segid "    " and resid 5    and name HG2%)
 ASSI { 2688}
   (( segid "    " and resid 90   and name HA2 ))
   (( segid "    " and resid 48   and name HB1 ))
      6.000     4.500     0.000 peak  2688 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.329 ppm2      2.031 CV     1
 OR { 2688}
   (( segid "    " and resid 90   and name HA2 ))
   (( segid "    " and resid 87   and name HB2 ))
 OR { 2688}
   (( segid "    " and resid 90   and name HA2 ))
   (( segid "    " and resid 87   and name HB1 ))
 ASSI { 2693}
   (( segid "    " and resid 90   and name HA1 ))
   (( segid "    " and resid 48   and name HB1 ))
      6.000     4.500     0.000 peak  2693 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.925 ppm2      2.046 CV     1
 OR { 2693}
   (( segid "    " and resid 90   and name HA1 ))
   (( segid "    " and resid 47   and name HG1 ))
 ASSI { 2702}
   (( segid "    " and resid 54   and name HB1 ))
   (( segid "    " and resid 54   and name HG  ))
      6.000     4.500     0.000 peak  2702 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.385 ppm2      0.249 CV     1
 OR { 2702}
   (( segid "    " and resid 54   and name HB1 ))
   (  segid "    " and resid 18   and name HG2%)
 ASSI { 2726}
   (( segid "    " and resid 84   and name HD1 ))
   (( segid "    " and resid 82   and name HG2 ))
      6.000     4.500     0.000 peak  2726 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.237 ppm2      1.804 CV     1
 OR { 2726}
   (( segid "    " and resid 84   and name HD2 ))
   (( segid "    " and resid 82   and name HG2 ))
 OR { 2726}
   (( segid "    " and resid 84   and name HD1 ))
   (( segid "    " and resid 78   and name HB1 ))
 OR { 2726}
   (( segid "    " and resid 84   and name HD2 ))
   (( segid "    " and resid 78   and name HB1 ))
 OR { 2726}
   (( segid "    " and resid 84   and name HD1 ))
   (( segid "    " and resid 92   and name HG1 ))
 ASSI { 2754}
   (( segid "    " and resid 34   and name HB2 ))
   (  segid "    " and resid 59   and name HB% )
      6.000     4.500     0.000 peak  2754 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.553 ppm2      1.264 CV     1
 OR { 2754}
   (( segid "    " and resid 34   and name HB2 ))
   (  segid "    " and resid 35   and name HG2%)
 ASSI { 2769}
   (( segid "    " and resid 125  and name HB1 ))
   (( segid "    " and resid 125  and name HA  ))
      6.000     4.500     0.000 peak  2769 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.050 ppm2      3.814 CV     1
 OR { 2769}
   (( segid "    " and resid 125  and name HB1 ))
   (( segid "    " and resid 119  and name HA  ))
 ASSI { 2772}
   (( segid "    " and resid 96   and name HB1 ))
   (( segid "    " and resid 7    and name HG12))
      6.000     4.500     0.000 peak  2772 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.957 ppm2      1.593 CV     1
 OR { 2772}
   (( segid "    " and resid 96   and name HB1 ))
   (( segid "    " and resid 7    and name HG11))
 OR { 2772}
   (( segid "    " and resid 96   and name HB1 ))
   (  segid "    " and resid 21   and name HB% )
 ASSI { 2789}
   (( segid "    " and resid 41   and name HD2 ))
   (( segid "    " and resid 52   and name HB2 ))
      6.000     4.500     0.000 peak  2789 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.183 ppm2      2.681 CV     1
 OR { 2789}
   (( segid "    " and resid 75   and name HD2 ))
   (( segid "    " and resid 79   and name HG1 ))
 ASSI { 2811}
   (( segid "    " and resid 92   and name HD1 ))
   (( segid "    " and resid 48   and name HB1 ))
      6.000     4.500     0.000 peak  2811 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.534 ppm2      2.048 CV     1
 OR { 2811}
   (( segid "    " and resid 82   and name HD1 ))
   (( segid "    " and resid 48   and name HB1 ))
 ASSI { 2814}
   (( segid "    " and resid 82   and name HD2 ))
   (  segid "    " and resid 94   and name HD2%)
      6.000     4.500     0.000 peak  2814 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.360 ppm2      0.851 CV     1
 OR { 2814}
   (( segid "    " and resid 92   and name HD2 ))
   (  segid "    " and resid 94   and name HD2%)
 OR { 2814}
   (( segid "    " and resid 82   and name HD2 ))
   (  segid "    " and resid 94   and name HD1%)
 ASSI { 2816}
   (( segid "    " and resid 92   and name HD2 ))
   (( segid "    " and resid 48   and name HB1 ))
      6.000     4.500     0.000 peak  2816 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.353 ppm2      2.054 CV     1
 OR { 2816}
   (( segid "    " and resid 82   and name HD2 ))
   (( segid "    " and resid 48   and name HB1 ))
 ASSI { 2817}
   (( segid "    " and resid 82   and name HD2 ))
   (( segid "    " and resid 82   and name HG1 ))
      6.000     4.500     0.000 peak  2817 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.352 ppm2      1.412 CV     1
 OR { 2817}
   (( segid "    " and resid 92   and name HD2 ))
   (( segid "    " and resid 92   and name HG2 ))
 ASSI { 2818}
   (( segid "    " and resid 82   and name HD2 ))
   (( segid "    " and resid 78   and name HG  ))
      6.000     4.500     0.000 peak  2818 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.353 ppm2      0.984 CV     1
 OR { 2818}
   (( segid "    " and resid 92   and name HD2 ))
   (  segid "    " and resid 83   and name HG2%)
 OR { 2818}
   (( segid "    " and resid 92   and name HD2 ))
   (( segid "    " and resid 11   and name HB1 ))
 OR { 2818}
   (( segid "    " and resid 82   and name HD2 ))
   (  segid "    " and resid 83   and name HG2%)
 ASSI { 2822}
   (( segid "    " and resid 25   and name HB1 ))
   (( segid "    " and resid 33   and name HG11))
      6.000     4.500     0.000 peak  2822 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.133 ppm2      1.585 CV     1
 OR { 2822}
   (( segid "    " and resid 25   and name HB1 ))
   (( segid "    " and resid 28   and name HB  ))
 OR { 2822}
   (( segid "    " and resid 25   and name HB1 ))
   (( segid "    " and resid 33   and name HG12))
 OR { 2822}
   (( segid "    " and resid 25   and name HB1 ))
   (  segid "    " and resid 24   and name HB% )
 ASSI { 2839}
   (( segid "    " and resid 92   and name HD1 ))
   (( segid "    " and resid 92   and name HD2 ))
      6.000     4.500     0.000 peak  2839 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.528 ppm2      3.356 CV     1
 OR { 2839}
   (( segid "    " and resid 82   and name HD1 ))
   (( segid "    " and resid 82   and name HD2 ))
 ASSI { 2840}
   (( segid "    " and resid 82   and name HD1 ))
   (( segid "    " and resid 82   and name HG2 ))
      6.000     4.500     0.000 peak  2840 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.531 ppm2      1.813 CV     1
 OR { 2840}
   (( segid "    " and resid 92   and name HD1 ))
   (( segid "    " and resid 92   and name HG1 ))
 OR { 2840}
   (( segid "    " and resid 82   and name HD1 ))
   (( segid "    " and resid 77   and name HB2 ))
 ASSI { 2841}
   (( segid "    " and resid 82   and name HD1 ))
   (( segid "    " and resid 82   and name HB1 ))
      6.000     4.500     0.000 peak  2841 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.526 ppm2      1.626 CV     1
 OR { 2841}
   (( segid "    " and resid 82   and name HD1 ))
   (( segid "    " and resid 82   and name HB2 ))
 OR { 2841}
   (( segid "    " and resid 92   and name HD1 ))
   (( segid "    " and resid 92   and name HB2 ))
 ASSI { 2842}
   (( segid "    " and resid 92   and name HD1 ))
   (( segid "    " and resid 92   and name HG2 ))
      6.000     4.500     0.000 peak  2842 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.524 ppm2      1.383 CV     1
 OR { 2842}
   (( segid "    " and resid 82   and name HD1 ))
   (( segid "    " and resid 82   and name HG1 ))
 ASSI { 2847}
   (( segid "    " and resid 150  and name HD1 ))
   (( segid "    " and resid 121  and name HB2 ))
      6.000     6.000     0.000 peak  2847 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.114 ppm2      0.908 CV     1
 OR { 2847}
   (( segid "    " and resid 150  and name HD1 ))
   (( segid "    " and resid 147  and name HG  ))
 ASSI { 2852}
   (( segid "    " and resid 150  and name HD2 ))
   (( segid "    " and resid 150  and name HG2 ))
      6.000     4.500     0.000 peak  2852 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.003 ppm2      1.446 CV     1
 OR { 2852}
   (( segid "    " and resid 85   and name HE1 ))
   (( segid "    " and resid 85   and name HG2 ))
 OR { 2852}
   (( segid "    " and resid 85   and name HE2 ))
   (( segid "    " and resid 85   and name HG2 ))
 OR { 2852}
   (( segid "    " and resid 85   and name HE1 ))
   (( segid "    " and resid 85   and name HG1 ))
 OR { 2852}
   (( segid "    " and resid 85   and name HE2 ))
   (( segid "    " and resid 85   and name HG1 ))
 ASSI { 2863}
   (( segid "    " and resid 15   and name HB1 ))
   (( segid "    " and resid 15   and name HB2 ))
      6.000     4.500     0.000 peak  2863 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.725 ppm2      1.277 CV     1
 OR { 2863}
   (( segid "    " and resid 135  and name HB2 ))
   (( segid "    " and resid 135  and name HG  ))
 ASSI { 2884}
   (( segid "    " and resid 128  and name HB1 ))
   (( segid "    " and resid 128  and name HA  ))
      6.000     4.500     0.000 peak  2884 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.217 ppm2      3.855 CV     1
 OR { 2884}
   (( segid "    " and resid 128  and name HB1 ))
   (( segid "    " and resid 129  and name HA  ))
 ASSI { 2892}
   (( segid "    " and resid 27   and name HB1 ))
   (  segid "    " and resid 24   and name HB% )
      6.000     4.500     0.000 peak  2892 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.593 ppm2      1.573 CV     1
 OR { 2892}
   (( segid "    " and resid 27   and name HB1 ))
   (( segid "    " and resid 28   and name HB  ))
 ASSI { 2899}
   (( segid "    " and resid 78   and name HB2 ))
   (( segid "    " and resid 78   and name HA  ))
      6.000     4.500     0.000 peak  2899 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.958 ppm2      4.175 CV     1
 OR { 2899}
   (( segid "    " and resid 78   and name HB2 ))
   (( segid "    " and resid 75   and name HA  ))
 ASSI { 2902}
   (( segid "    " and resid 78   and name HB1 ))
   (( segid "    " and resid 78   and name HA  ))
      6.000     4.500     0.000 peak  2902 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.791 ppm2      4.176 CV     1
 OR { 2902}
   (( segid "    " and resid 78   and name HB1 ))
   (( segid "    " and resid 75   and name HA  ))
 ASSI { 2904}
   (( segid "    " and resid 78   and name HB1 ))
   (( segid "    " and resid 78   and name HG  ))
      6.000     4.500     0.000 peak  2904 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.783 ppm2      0.991 CV     1
 OR { 2904}
   (( segid "    " and resid 5    and name HB  ))
   (  segid "    " and resid 58   and name HG2%)
 ASSI { 2908}
   (( segid "    " and resid 106  and name HB  ))
   (( segid "    " and resid 67   and name HB1 ))
      6.000     4.500     0.000 peak  2908 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.457 ppm2      1.891 CV     1
 OR { 2908}
   (( segid "    " and resid 106  and name HB  ))
   (( segid "    " and resid 113  and name HB  ))
 OR { 2908}
   (( segid "    " and resid 106  and name HB  ))
   (( segid "    " and resid 67   and name HB2 ))
 ASSI { 2921}
   (( segid "    " and resid 22   and name HB1 ))
   (  segid "    " and resid 22   and name HD2%)
      6.000     4.500     0.000 peak  2921 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.063 ppm2      0.873 CV     1
 OR { 2921}
   (( segid "    " and resid 22   and name HB1 ))
   (  segid "    " and resid 25   and name HD1%)
 ASSI { 2938}
   (( segid "    " and resid 70   and name HB1 ))
   (( segid "    " and resid 111  and name HB1 ))
      6.000     4.500     0.000 peak  2938 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.019 ppm2      0.926 CV     1
 OR { 2938}
   (( segid "    " and resid 70   and name HB1 ))
   (  segid "    " and resid 69   and name HD2%)
 ASSI { 2950}
   (( segid "    " and resid 101  and name HB2 ))
   (( segid "    " and resid 98   and name HG12))
      6.000     4.500     0.000 peak  2950 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.335 ppm2      0.978 CV     1
 OR { 2950}
   (( segid "    " and resid 101  and name HB2 ))
   (  segid "    " and resid 69   and name HD2%)
 ASSI { 2965}
   (( segid "    " and resid 70   and name HB1 ))
   (( segid "    " and resid 70   and name HG  ))
      6.000     4.500     0.000 peak  2965 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.024 ppm2      1.345 CV     1
 OR { 2965}
   (( segid "    " and resid 70   and name HB1 ))
   (( segid "    " and resid 111  and name HB2 ))
 ASSI { 2974}
   (( segid "    " and resid 52   and name HB2 ))
   (( segid "    " and resid 14   and name HG2 ))
      6.000     4.500     0.000 peak  2974 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.653 ppm2      2.192 CV     1
 OR { 2974}
   (( segid "    " and resid 52   and name HB2 ))
   (( segid "    " and resid 44   and name HG1 ))
 OR { 2974}
   (( segid "    " and resid 52   and name HB2 ))
   (( segid "    " and resid 44   and name HG2 ))
 ASSI { 2989}
   (( segid "    " and resid 119  and name HE2 ))
   (  segid "    " and resid 146  and name HD1%)
      6.000     4.500     0.000 peak  2989 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.306 ppm2      0.500 CV     1
 OR { 2989}
   (( segid "    " and resid 119  and name HE2 ))
   (  segid "    " and resid 125  and name HD2%)
 ASSI { 3008}
   (( segid "    " and resid 4    and name HB2 ))
   (( segid "    " and resid 99   and name HG2 ))
      6.000     4.500     0.000 peak  3008 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.758 ppm2      2.194 CV     1
 OR { 3008}
   (( segid "    " and resid 4    and name HB2 ))
   (( segid "    " and resid 143  and name HB2 ))
 OR { 3008}
   (( segid "    " and resid 4    and name HB2 ))
   (( segid "    " and resid 124  and name HB1 ))
 ASSI { 3011}
   (( segid "    " and resid 107  and name HB1 ))
   (  segid "    " and resid 112  and name HG2%)
      6.000     4.500     0.000 peak  3011 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.755 ppm2      1.454 CV     1
 OR { 3011}
   (( segid "    " and resid 107  and name HB1 ))
   (( segid "    " and resid 106  and name HB  ))
 ASSI { 3012}
   (( segid "    " and resid 4    and name HB2 ))
   (  segid "    " and resid 3    and name HB% )
      6.000     4.500     0.000 peak  3012 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.751 ppm2      1.223 CV     1
 OR { 3012}
   (( segid "    " and resid 107  and name HB1 ))
   (  segid "    " and resid 108  and name HG2%)
 OR { 3012}
   (( segid "    " and resid 4    and name HB2 ))
   (( segid "    " and resid 128  and name HB1 ))
 ASSI { 3013}
   (( segid "    " and resid 4    and name HB2 ))
   (  segid "    " and resid 132  and name HB% )
      6.000     4.500     0.000 peak  3013 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.759 ppm2      1.045 CV     1
 OR { 3013}
   (( segid "    " and resid 107  and name HB1 ))
   (  segid "    " and resid 105  and name HG1%)
 OR { 3013}
   (( segid "    " and resid 107  and name HB1 ))
   (( segid "    " and resid 111  and name HG  ))
 OR { 3013}
   (( segid "    " and resid 4    and name HB2 ))
   (  segid "    " and resid 69   and name HD1%)
 OR { 3013}
   (( segid "    " and resid 4    and name HB2 ))
   (( segid "    " and resid 60   and name HB2 ))
 OR { 3013}
   (( segid "    " and resid 107  and name HB1 ))
   (  segid "    " and resid 105  and name HG2%)
 ASSI { 3017}
   (( segid "    " and resid 4    and name HB1 ))
   (  segid "    " and resid 132  and name HB% )
      6.000     4.500     0.000 peak  3017 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.692 ppm2      1.055 CV     1
 OR { 3017}
   (( segid "    " and resid 107  and name HB2 ))
   (  segid "    " and resid 105  and name HG1%)
 OR { 3017}
   (( segid "    " and resid 107  and name HB2 ))
   (( segid "    " and resid 111  and name HG  ))
 OR { 3017}
   (( segid "    " and resid 107  and name HB2 ))
   (  segid "    " and resid 105  and name HG2%)
 OR { 3017}
   (( segid "    " and resid 4    and name HB1 ))
   (( segid "    " and resid 60   and name HB2 ))
 ASSI { 3038}
   (( segid "    " and resid 107  and name HB2 ))
   (  segid "    " and resid 106  and name HG2%)
      6.000     4.500     0.000 peak  3038 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.689 ppm2      0.941 CV     1
 OR { 3038}
   (( segid "    " and resid 152  and name HB1 ))
   (( segid "    " and resid 150  and name HB1 ))
 ASSI { 3039}
   (( segid "    " and resid 107  and name HB2 ))
   (  segid "    " and resid 112  and name HG2%)
      6.000     4.500     0.000 peak  3039 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.677 ppm2      1.464 CV     1
 OR { 3039}
   (( segid "    " and resid 107  and name HB2 ))
   (( segid "    " and resid 106  and name HB  ))
 ASSI { 3060}
   (( segid "    " and resid 10   and name HB1 ))
   (( segid "    " and resid 51   and name HB2 ))
      6.000     4.500     0.000 peak  3060 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.388 ppm2      2.178 CV     1
 OR { 3060}
   (( segid "    " and resid 10   and name HB1 ))
   (( segid "    " and resid 14   and name HG2 ))
 ASSI { 3070}
   (( segid "    " and resid 49   and name HB2 ))
   (( segid "    " and resid 51   and name HD1 ))
      6.000     4.500     0.000 peak  3070 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.676 ppm2      3.880 CV     1
 OR { 3070}
   (( segid "    " and resid 103  and name HB1 ))
   (( segid "    " and resid 102  and name HA1 ))
 ASSI { 3072}
   (( segid "    " and resid 103  and name HB1 ))
   (( segid "    " and resid 138  and name HB1 ))
      6.000     4.500     0.000 peak  3072 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.679 ppm2      2.419 CV     1
 OR { 3072}
   (( segid "    " and resid 49   and name HB2 ))
   (( segid "    " and resid 10   and name HB1 ))
 ASSI { 3073}
   (( segid "    " and resid 103  and name HB1 ))
   (( segid "    " and resid 138  and name HG1 ))
      6.000     4.500     0.000 peak  3073 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.680 ppm2      2.008 CV     1
 OR { 3073}
   (( segid "    " and resid 49   and name HB2 ))
   (( segid "    " and resid 50   and name HB2 ))
 OR { 3073}
   (( segid "    " and resid 103  and name HB1 ))
   (( segid "    " and resid 138  and name HG2 ))
 OR { 3073}
   (( segid "    " and resid 49   and name HB2 ))
   (( segid "    " and resid 50   and name HB1 ))
 ASSI { 3076}
   (( segid "    " and resid 131  and name HB  ))
   (( segid "    " and resid 35   and name HB  ))
      6.000     4.500     0.000 peak  3076 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.156 ppm2      4.119 CV     1
 OR { 3076}
   (( segid "    " and resid 131  and name HB  ))
   (( segid "    " and resid 37   and name HB2 ))
 ASSI { 3083}
   (( segid "    " and resid 131  and name HB  ))
   (  segid "    " and resid 132  and name HB% )
      6.000     4.500     0.000 peak  3083 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.149 ppm2      1.002 CV     1
 OR { 3083}
   (( segid "    " and resid 131  and name HB  ))
   (  segid "    " and resid 58   and name HG1%)
 ASSI { 3091}
   (( segid "    " and resid 33   and name HB  ))
   (( segid "    " and resid 33   and name HA  ))
      6.000     4.500     0.000 peak  3091 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.787 ppm2      3.900 CV     1
 OR { 3091}
   (( segid "    " and resid 33   and name HB  ))
   (( segid "    " and resid 26   and name HA1 ))
 ASSI { 3092}
   (( segid "    " and resid 33   and name HB  ))
   (( segid "    " and resid 33   and name HG11))
      6.000     4.500     0.000 peak  3092 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.784 ppm2      1.606 CV     1
 OR { 3092}
   (( segid "    " and resid 33   and name HB  ))
   (( segid "    " and resid 33   and name HG12))
 OR { 3092}
   (( segid "    " and resid 146  and name HB  ))
   (( segid "    " and resid 146  and name HG12))
 ASSI { 3094}
   (( segid "    " and resid 146  and name HB  ))
   (  segid "    " and resid 146  and name HG2%)
      6.000     4.500     0.000 peak  3094 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.785 ppm2      0.770 CV     1
 OR { 3094}
   (( segid "    " and resid 33   and name HB  ))
   (  segid "    " and resid 33   and name HG2%)
 ASSI { 3102}
   (( segid "    " and resid 67   and name HG2 ))
   (( segid "    " and resid 67   and name HA  ))
      6.000     4.500     0.000 peak  3102 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.158 ppm2      3.653 CV     1
 OR { 3102}
   (( segid "    " and resid 67   and name HG2 ))
   (( segid "    " and resid 66   and name HD2 ))
 ASSI { 3107}
   (( segid "    " and resid 67   and name HG1 ))
   (( segid "    " and resid 67   and name HA  ))
      6.000     4.500     0.000 peak  3107 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.986 ppm2      3.660 CV     1
 OR { 3107}
   (( segid "    " and resid 67   and name HG1 ))
   (( segid "    " and resid 66   and name HD2 ))
 ASSI { 3112}
   (( segid "    " and resid 146  and name HB  ))
   (  segid "    " and resid 125  and name HD2%)
      6.000     4.500     0.000 peak  3112 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.797 ppm2      0.480 CV     1
 OR { 3112}
   (( segid "    " and resid 146  and name HB  ))
   (  segid "    " and resid 125  and name HD1%)
 OR { 3112}
   (( segid "    " and resid 146  and name HB  ))
   (  segid "    " and resid 146  and name HD1%)
 ASSI { 3113}
   (( segid "    " and resid 146  and name HB  ))
   (( segid "    " and resid 146  and name HA  ))
      6.000     4.500     0.000 peak  3113 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.793 ppm2      3.658 CV     1
 OR { 3113}
   (( segid "    " and resid 146  and name HB  ))
   (( segid "    " and resid 147  and name HA  ))
 ASSI { 3120}
   (( segid "    " and resid 39   and name HB1 ))
   (( segid "    " and resid 158  and name HB2 ))
      6.000     4.500     0.000 peak  3120 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.373 ppm2      3.071 CV     1
 OR { 3120}
   (( segid "    " and resid 39   and name HB1 ))
   (( segid "    " and resid 40   and name HB2 ))
 ASSI { 3128}
   (( segid "    " and resid 39   and name HB2 ))
   (( segid "    " and resid 158  and name HB2 ))
      6.000     4.500     0.000 peak  3128 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.770 ppm2      3.071 CV     1
 OR { 3128}
   (( segid "    " and resid 39   and name HB2 ))
   (( segid "    " and resid 40   and name HB2 ))
 ASSI { 3143}
   (( segid "    " and resid 39   and name HB1 ))
   (( segid "    " and resid 54   and name HG  ))
      6.000     4.500     0.000 peak  3143 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.367 ppm2      0.234 CV     1
 OR { 3143}
   (( segid "    " and resid 39   and name HB1 ))
   (  segid "    " and resid 18   and name HG2%)
 ASSI { 3145}
   (( segid "    " and resid 123  and name HB2 ))
   (  segid "    " and resid 42   and name HG2%)
      6.000     4.500     0.000 peak  3145 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.352 ppm2      1.441 CV     1
 OR { 3145}
   (( segid "    " and resid 123  and name HB2 ))
   (( segid "    " and resid 155  and name HB1 ))
 OR { 3145}
   (( segid "    " and resid 123  and name HB2 ))
   (( segid "    " and resid 155  and name HB2 ))
 ASSI { 3153}
   (( segid "    " and resid 123  and name HB1 ))
   (( segid "    " and resid 123  and name HB2 ))
      6.000     4.500     0.000 peak  3153 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.777 ppm2      3.359 CV     1
 OR { 3153}
   (( segid "    " and resid 39   and name HB2 ))
   (( segid "    " and resid 39   and name HB1 ))
 ASSI { 3154}
   (( segid "    " and resid 39   and name HB2 ))
   (( segid "    " and resid 54   and name HG  ))
      6.000     4.500     0.000 peak  3154 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.771 ppm2      0.234 CV     1
 OR { 3154}
   (( segid "    " and resid 39   and name HB2 ))
   (  segid "    " and resid 18   and name HG2%)
 ASSI { 3160}
   (( segid "    " and resid 113  and name HB  ))
   (( segid "    " and resid 113  and name HA  ))
      6.000     4.500     0.000 peak  3160 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.883 ppm2      4.325 CV     1
 OR { 3160}
   (( segid "    " and resid 76   and name HB  ))
   (( segid "    " and resid 73   and name HA  ))
 ASSI { 3161}
   (( segid "    " and resid 76   and name HB  ))
   (( segid "    " and resid 94   and name HG  ))
      6.000     4.500     0.000 peak  3161 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.886 ppm2      1.451 CV     1
 OR { 3161}
   (( segid "    " and resid 113  and name HB  ))
   (  segid "    " and resid 112  and name HG2%)
 ASSI { 3162}
   (( segid "    " and resid 76   and name HB  ))
   (  segid "    " and resid 96   and name HD2%)
      6.000     4.500     0.000 peak  3162 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.882 ppm2      1.164 CV     1
 OR { 3162}
   (( segid "    " and resid 113  and name HB  ))
   (  segid "    " and resid 113  and name HG2%)
 ASSI { 3163}
   (( segid "    " and resid 76   and name HB  ))
   (  segid "    " and resid 76   and name HD1%)
      6.000     4.500     0.000 peak  3163 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.876 ppm2      0.877 CV     1
 OR { 3163}
   (( segid "    " and resid 76   and name HB  ))
   (  segid "    " and resid 25   and name HD2%)
 OR { 3163}
   (( segid "    " and resid 76   and name HB  ))
   (  segid "    " and resid 94   and name HD1%)
 ASSI { 3170}
   (( segid "    " and resid 141  and name HG1 ))
   (  segid "    " and resid 146  and name HD1%)
      6.000     4.500     0.000 peak  3170 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.290 ppm2      0.477 CV     1
 OR { 3170}
   (( segid "    " and resid 141  and name HG1 ))
   (  segid "    " and resid 125  and name HD2%)
 ASSI { 3179}
   (( segid "    " and resid 141  and name HG2 ))
   (  segid "    " and resid 146  and name HD1%)
      6.000     4.500     0.000 peak  3179 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.063 ppm2      0.482 CV     1
 OR { 3179}
   (( segid "    " and resid 141  and name HG2 ))
   (  segid "    " and resid 125  and name HD2%)
 ASSI { 3183}
   (( segid "    " and resid 71   and name HB2 ))
   (( segid "    " and resid 71   and name HA  ))
      6.000     4.500     0.000 peak  3183 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.101 ppm2      4.331 CV     1
 OR { 3183}
   (( segid "    " and resid 71   and name HB2 ))
   (( segid "    " and resid 68   and name HA  ))
 ASSI { 3200}
   (( segid "    " and resid 104  and name HG1 ))
   (( segid "    " and resid 106  and name HG11))
      6.000     4.500     0.000 peak  3200 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.596 ppm2      1.073 CV     1
 OR { 3200}
   (( segid "    " and resid 104  and name HG1 ))
   (  segid "    " and resid 105  and name HG2%)
 OR { 3200}
   (( segid "    " and resid 104  and name HG1 ))
   (( segid "    " and resid 106  and name HG12))
 OR { 3200}
   (( segid "    " and resid 104  and name HG1 ))
   (( segid "    " and resid 111  and name HG  ))
 OR { 3200}
   (( segid "    " and resid 104  and name HG1 ))
   (  segid "    " and resid 105  and name HG1%)
 ASSI { 3203}
   (( segid "    " and resid 104  and name HG2 ))
   (( segid "    " and resid 104  and name HB2 ))
      6.000     4.500     0.000 peak  3203 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.528 ppm2      2.369 CV     1
 OR { 3203}
   (( segid "    " and resid 104  and name HG2 ))
   (( segid "    " and resid 101  and name HB1 ))
 ASSI { 3204}
   (( segid "    " and resid 104  and name HG2 ))
   (( segid "    " and resid 113  and name HB  ))
      6.000     4.500     0.000 peak  3204 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.530 ppm2      1.906 CV     1
 OR { 3204}
   (( segid "    " and resid 104  and name HG2 ))
   (( segid "    " and resid 98   and name HG11))
 ASSI { 3205}
   (( segid "    " and resid 104  and name HG2 ))
   (  segid "    " and resid 105  and name HG2%)
      6.000     4.500     0.000 peak  3205 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.528 ppm2      1.052 CV     1
 OR { 3205}
   (( segid "    " and resid 104  and name HG2 ))
   (  segid "    " and resid 105  and name HG1%)
 OR { 3205}
   (( segid "    " and resid 104  and name HG2 ))
   (( segid "    " and resid 111  and name HG  ))
 ASSI { 3208}
   (( segid "    " and resid 58   and name HB  ))
   (  segid "    " and resid 36   and name HG2%)
      6.000     4.500     0.000 peak  3208 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.984 ppm2      1.354 CV     1
 OR { 3208}
   (( segid "    " and resid 58   and name HB  ))
   (  segid "    " and resid 57   and name HB% )
 ASSI { 3210}
   (( segid "    " and resid 77   and name HG1 ))
   (  segid "    " and resid 94   and name HD2%)
      6.000     4.500     0.000 peak  3210 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.984 ppm2      0.853 CV     1
 OR { 3210}
   (( segid "    " and resid 77   and name HG1 ))
   (  segid "    " and resid 94   and name HD1%)
 OR { 3210}
   (( segid "    " and resid 58   and name HB  ))
   (  segid "    " and resid 131  and name HG2%)
 ASSI { 3211}
   (( segid "    " and resid 58   and name HB  ))
   (  segid "    " and resid 7    and name HD1%)
      6.000     4.500     0.000 peak  3211 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.986 ppm2      0.696 CV     1
 OR { 3211}
   (( segid "    " and resid 77   and name HG1 ))
   (  segid "    " and resid 7    and name HD1%)
 ASSI { 3216}
   (( segid "    " and resid 77   and name HG2 ))
   (  segid "    " and resid 21   and name HB% )
      6.000     4.500     0.000 peak  3216 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.865 ppm2      1.578 CV     1
 OR { 3216}
   (( segid "    " and resid 77   and name HG2 ))
   (( segid "    " and resid 7    and name HG12))
 OR { 3216}
   (( segid "    " and resid 77   and name HG2 ))
   (( segid "    " and resid 7    and name HG11))
 OR { 3216}
   (( segid "    " and resid 77   and name HG2 ))
   (  segid "    " and resid 24   and name HB% )
 ASSI { 3217}
   (( segid "    " and resid 77   and name HG2 ))
   (  segid "    " and resid 76   and name HG2%)
      6.000     4.500     0.000 peak  3217 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.864 ppm2      0.829 CV     1
 OR { 3217}
   (( segid "    " and resid 77   and name HG2 ))
   (  segid "    " and resid 7    and name HG2%)
 OR { 3217}
   (( segid "    " and resid 77   and name HG2 ))
   (  segid "    " and resid 25   and name HD2%)
 ASSI { 3219}
   (( segid "    " and resid 77   and name HG2 ))
   (( segid "    " and resid 96   and name HB1 ))
      6.000     4.500     0.000 peak  3219 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.858 ppm2      0.974 CV     1
 OR { 3219}
   (( segid "    " and resid 77   and name HG2 ))
   (( segid "    " and resid 78   and name HG  ))
 ASSI { 3224}
   (( segid "    " and resid 80   and name HG1 ))
   (  segid "    " and resid 20   and name HB% )
      6.000     4.500     0.000 peak  3224 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.506 ppm2      1.455 CV     1
 OR { 3224}
   (( segid "    " and resid 80   and name HG1 ))
   (( segid "    " and resid 94   and name HG  ))
 ASSI { 3225}
   (( segid "    " and resid 80   and name HG1 ))
   (  segid "    " and resid 76   and name HG2%)
      6.000     4.500     0.000 peak  3225 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.501 ppm2      0.829 CV     1
 OR { 3225}
   (( segid "    " and resid 80   and name HG1 ))
   (  segid "    " and resid 7    and name HG2%)
 ASSI { 3229}
   (( segid "    " and resid 68   and name HG2 ))
   (  segid "    " and resid 65   and name HB% )
      6.000     4.500     0.000 peak  3229 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.415 ppm2      1.463 CV     1
 OR { 3229}
   (( segid "    " and resid 68   and name HG1 ))
   (  segid "    " and resid 65   and name HB% )
 OR { 3229}
   (( segid "    " and resid 68   and name HG2 ))
   (( segid "    " and resid 64   and name HB1 ))
 ASSI { 3234}
   (( segid "    " and resid 80   and name HG2 ))
   (  segid "    " and resid 21   and name HB% )
      6.000     4.500     0.000 peak  3234 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.266 ppm2      1.548 CV     1
 OR { 3234}
   (( segid "    " and resid 80   and name HG2 ))
   (( segid "    " and resid 94   and name HB1 ))
 OR { 3234}
   (( segid "    " and resid 80   and name HG2 ))
   (( segid "    " and resid 94   and name HB2 ))
 ASSI { 3246}
   (( segid "    " and resid 77   and name HG1 ))
   (  segid "    " and resid 96   and name HD2%)
      6.000     4.500     0.000 peak  3246 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.980 ppm2      1.125 CV     1
 OR { 3246}
   (( segid "    " and resid 58   and name HB  ))
   (  segid "    " and resid 36   and name HG1%)
 OR { 3246}
   (( segid "    " and resid 77   and name HG1 ))
   (  segid "    " and resid 96   and name HD1%)
 ASSI { 3247}
   (( segid "    " and resid 58   and name HB  ))
   (( segid "    " and resid 33   and name HG12))
      6.000     4.500     0.000 peak  3247 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.974 ppm2      1.602 CV     1
 OR { 3247}
   (( segid "    " and resid 77   and name HG1 ))
   (( segid "    " and resid 82   and name HB1 ))
 OR { 3247}
   (( segid "    " and resid 77   and name HG1 ))
   (( segid "    " and resid 82   and name HB2 ))
 OR { 3247}
   (( segid "    " and resid 58   and name HB  ))
   (( segid "    " and resid 33   and name HG11))
 OR { 3247}
   (( segid "    " and resid 58   and name HB  ))
   (( segid "    " and resid 5    and name HG11))
 OR { 3247}
   (( segid "    " and resid 77   and name HG1 ))
   (( segid "    " and resid 7    and name HG12))
 ASSI { 3253}
   (( segid "    " and resid 68   and name HG2 ))
   (( segid "    " and resid 75   and name HB2 ))
      6.000     4.500     0.000 peak  3253 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.416 ppm2      1.934 CV     1
 OR { 3253}
   (( segid "    " and resid 68   and name HG1 ))
   (( segid "    " and resid 75   and name HB2 ))
 OR { 3253}
   (( segid "    " and resid 68   and name HG1 ))
   (( segid "    " and resid 74   and name HB2 ))
 OR { 3253}
   (( segid "    " and resid 68   and name HG2 ))
   (( segid "    " and resid 74   and name HB2 ))
 ASSI { 3258}
   (( segid "    " and resid 87   and name HG2 ))
   (  segid "    " and resid 86   and name HB% )
      6.000     4.500     0.000 peak  3258 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.336 ppm2      1.451 CV     1
 OR { 3258}
   (( segid "    " and resid 87   and name HG1 ))
   (  segid "    " and resid 86   and name HB% )
 OR { 3258}
   (( segid "    " and resid 87   and name HG2 ))
   (( segid "    " and resid 85   and name HG1 ))
 OR { 3258}
   (( segid "    " and resid 87   and name HG1 ))
   (( segid "    " and resid 94   and name HG  ))
 OR { 3258}
   (( segid "    " and resid 87   and name HG2 ))
   (( segid "    " and resid 94   and name HG  ))
 ASSI { 3263}
   (( segid "    " and resid 80   and name HG2 ))
   (  segid "    " and resid 20   and name HB% )
      6.000     4.500     0.000 peak  3263 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.284 ppm2      1.478 CV     1
 OR { 3263}
   (( segid "    " and resid 80   and name HG2 ))
   (( segid "    " and resid 94   and name HG  ))
 ASSI { 3305}
   (( segid "    " and resid 124  and name HB2 ))
   (( segid "    " and resid 119  and name HB1 ))
      6.000     4.500     0.000 peak  3305 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.177 ppm2      1.536 CV     1
 OR { 3305}
   (( segid "    " and resid 124  and name HB1 ))
   (( segid "    " and resid 119  and name HB1 ))
 OR { 3305}
   (( segid "    " and resid 124  and name HB2 ))
   (( segid "    " and resid 150  and name HG1 ))
 OR { 3305}
   (( segid "    " and resid 124  and name HB1 ))
   (( segid "    " and resid 119  and name HE1 ))
 ASSI { 3312}
   (( segid "    " and resid 99   and name HB1 ))
   (( segid "    " and resid 100  and name HG  ))
      6.000     4.500     0.000 peak  3312 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.282 ppm2      1.602 CV     1
 OR { 3312}
   (( segid "    " and resid 142  and name HB2 ))
   (( segid "    " and resid 144  and name HG2 ))
 OR { 3312}
   (( segid "    " and resid 142  and name HB2 ))
   (( segid "    " and resid 146  and name HG12))
 ASSI { 3329}
   (( segid "    " and resid 142  and name HB1 ))
   (( segid "    " and resid 144  and name HB1 ))
      6.000     4.500     0.000 peak  3329 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.118 ppm2      1.823 CV     1
 OR { 3329}
   (( segid "    " and resid 114  and name HB1 ))
   (( segid "    " and resid 100  and name HB1 ))
 ASSI { 3338}
   (( segid "    " and resid 79   and name HG1 ))
   (( segid "    " and resid 78   and name HB1 ))
      6.000     4.500     0.000 peak  3338 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.681 ppm2      1.797 CV     1
 OR { 3338}
   (( segid "    " and resid 79   and name HG1 ))
   (( segid "    " and resid 80   and name HB1 ))
 ASSI { 3339}
   (( segid "    " and resid 79   and name HG1 ))
   (( segid "    " and resid 75   and name HG2 ))
      6.000     4.500     0.000 peak  3339 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.683 ppm2      1.577 CV     1
 OR { 3339}
   (( segid "    " and resid 79   and name HG1 ))
   (  segid "    " and resid 24   and name HB% )
 ASSI { 3345}
   (( segid "    " and resid 79   and name HG2 ))
   (( segid "    " and resid 75   and name HG2 ))
      6.000     4.500     0.000 peak  3345 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.590 ppm2      1.578 CV     1
 OR { 3345}
   (( segid "    " and resid 79   and name HG2 ))
   (  segid "    " and resid 24   and name HB% )
 ASSI { 3351}
   (( segid "    " and resid 79   and name HG2 ))
   (( segid "    " and resid 78   and name HB1 ))
      6.000     4.500     0.000 peak  3351 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.572 ppm2      1.792 CV     1
 OR { 3351}
   (( segid "    " and resid 48   and name HG2 ))
   (( segid "    " and resid 92   and name HG1 ))
 OR { 3351}
   (( segid "    " and resid 79   and name HG2 ))
   (( segid "    " and resid 80   and name HB1 ))
 ASSI { 3358}
   (( segid "    " and resid 142  and name HB2 ))
   (( segid "    " and resid 144  and name HB1 ))
      6.000     4.500     0.000 peak  3358 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.271 ppm2      1.790 CV     1
 OR { 3358}
   (( segid "    " and resid 99   and name HB1 ))
   (  segid "    " and resid 6    and name HB% )
 OR { 3358}
   (( segid "    " and resid 99   and name HB1 ))
   (( segid "    " and resid 100  and name HB1 ))
 ASSI { 3360}
   (( segid "    " and resid 99   and name HB2 ))
   (  segid "    " and resid 6    and name HB% )
      6.000     4.500     0.000 peak  3360 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.141 ppm2      1.788 CV     1
 OR { 3360}
   (( segid "    " and resid 99   and name HB2 ))
   (( segid "    " and resid 100  and name HB1 ))
 ASSI { 3364}
   (( segid "    " and resid 136  and name HB  ))
   (( segid "    " and resid 141  and name HB1 ))
      6.000     4.500     0.000 peak  3364 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.947 ppm2      1.798 CV     1
 OR { 3364}
   (( segid "    " and resid 136  and name HB  ))
   (( segid "    " and resid 144  and name HB1 ))
 ASSI { 3368}
   (( segid "    " and resid 79   and name HG1 ))
   (  segid "    " and resid 76   and name HG2%)
      6.000     6.000     0.000 peak  3368 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.674 ppm2      0.848 CV     1
 OR { 3368}
   (( segid "    " and resid 79   and name HG1 ))
   (  segid "    " and resid 25   and name HD2%)
 ASSI { 3375}
   (( segid "    " and resid 145  and name HG1 ))
   (( segid "    " and resid 141  and name HB1 ))
      6.000     4.500     0.000 peak  3375 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.490 ppm2      1.805 CV     1
 OR { 3375}
   (( segid "    " and resid 145  and name HG2 ))
   (( segid "    " and resid 144  and name HB1 ))
 OR { 3375}
   (( segid "    " and resid 145  and name HG2 ))
   (( segid "    " and resid 141  and name HB1 ))
 OR { 3375}
   (( segid "    " and resid 145  and name HG1 ))
   (( segid "    " and resid 144  and name HB1 ))
 OR { 3375}
   (( segid "    " and resid 145  and name HG1 ))
   (( segid "    " and resid 146  and name HB  ))
 ASSI { 3389}
   (( segid "    " and resid 118  and name HB2 ))
   (( segid "    " and resid 119  and name HG1 ))
      6.000     4.500     0.000 peak  3389 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.980 ppm2      1.328 CV     1
 OR { 3389}
   (( segid "    " and resid 118  and name HB1 ))
   (( segid "    " and resid 119  and name HG1 ))
 OR { 3389}
   (( segid "    " and resid 118  and name HB1 ))
   (( segid "    " and resid 121  and name HG2 ))
 ASSI { 3409}
   (( segid "    " and resid 14   and name HB2 ))
   (  segid "    " and resid 18   and name HG2%)
      6.000     4.500     0.000 peak  3409 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.138 ppm2      0.240 CV     1
 OR { 3409}
   (( segid "    " and resid 14   and name HB2 ))
   (( segid "    " and resid 54   and name HG  ))
 ASSI { 3416}
   (( segid "    " and resid 118  and name HB2 ))
   (  segid "    " and resid 125  and name HD2%)
      6.000     4.500     0.000 peak  3416 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.985 ppm2      0.475 CV     1
 OR { 3416}
   (( segid "    " and resid 118  and name HB2 ))
   (  segid "    " and resid 146  and name HD1%)
 OR { 3416}
   (( segid "    " and resid 118  and name HB1 ))
   (  segid "    " and resid 125  and name HD2%)
 OR { 3416}
   (( segid "    " and resid 118  and name HB2 ))
   (  segid "    " and resid 125  and name HD1%)
 OR { 3416}
   (( segid "    " and resid 118  and name HB1 ))
   (  segid "    " and resid 146  and name HD1%)
 ASSI { 3429}
   (( segid "    " and resid 99   and name HG2 ))
   (( segid "    " and resid 118  and name HB1 ))
      6.000     4.500     0.000 peak  3429 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.218 ppm2      1.997 CV     1
 OR { 3429}
   (( segid "    " and resid 99   and name HG2 ))
   (( segid "    " and resid 100  and name HB2 ))
 OR { 3429}
   (( segid "    " and resid 99   and name HG2 ))
   (( segid "    " and resid 118  and name HB2 ))
 ASSI { 3461}
   (( segid "    " and resid 142  and name HG2 ))
   (  segid "    " and resid 136  and name HG2%)
      6.000     4.500     0.000 peak  3461 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.818 ppm2      1.045 CV     1
 OR { 3461}
   (( segid "    " and resid 142  and name HG2 ))
   (  segid "    " and resid 142  and name HE% )
 OR { 3461}
   (( segid "    " and resid 142  and name HG2 ))
   (  segid "    " and resid 136  and name HG1%)
 ASSI { 3463}
   (( segid "    " and resid 142  and name HG1 ))
   (  segid "    " and resid 142  and name HE% )
      6.000     4.500     0.000 peak  3463 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.672 ppm2      1.048 CV     1
 OR { 3463}
   (( segid "    " and resid 142  and name HG1 ))
   (  segid "    " and resid 136  and name HG2%)
 OR { 3463}
   (( segid "    " and resid 142  and name HG1 ))
   (  segid "    " and resid 136  and name HG1%)
 ASSI { 3467}
   (( segid "    " and resid 51   and name HB1 ))
   (( segid "    " and resid 51   and name HB2 ))
      6.000     4.500     0.000 peak  3467 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.445 ppm2      2.132 CV     1
 OR { 3467}
   (( segid "    " and resid 51   and name HB1 ))
   (( segid "    " and resid 51   and name HG2 ))
 OR { 3467}
   (( segid "    " and resid 47   and name HB1 ))
   (( segid "    " and resid 47   and name HG2 ))
 ASSI { 3499}
   (( segid "    " and resid 85   and name HB2 ))
   (( segid "    " and resid 92   and name HG1 ))
      6.000     4.500     0.000 peak  3499 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.983 ppm2      1.794 CV     1
 OR { 3499}
   (( segid "    " and resid 23   and name HB2 ))
   (( segid "    " and resid 33   and name HB  ))
 OR { 3499}
   (( segid "    " and resid 23   and name HB1 ))
   (( segid "    " and resid 33   and name HB  ))
 ASSI { 3510}
   (( segid "    " and resid 110  and name HB1 ))
   (( segid "    " and resid 70   and name HB1 ))
      6.000     4.500     0.000 peak  3510 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.420 ppm2      1.039 CV     1
 OR { 3510}
   (( segid "    " and resid 110  and name HB1 ))
   (( segid "    " and resid 111  and name HG  ))
 ASSI { 3511}
   (( segid "    " and resid 154  and name HB2 ))
   (( segid "    " and resid 154  and name HG1 ))
      6.000     4.500     0.000 peak  3511 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.423 ppm2      0.740 CV     1
 OR { 3511}
   (( segid "    " and resid 154  and name HB1 ))
   (( segid "    " and resid 154  and name HG1 ))
 OR { 3511}
   (( segid "    " and resid 110  and name HB1 ))
   (  segid "    " and resid 70   and name HD2%)
 ASSI { 3520}
   (( segid "    " and resid 72   and name HB1 ))
   (( segid "    " and resid 28   and name HG11))
      6.000     4.500     0.000 peak  3520 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.450 ppm2      2.107 CV     1
 OR { 3520}
   (( segid "    " and resid 72   and name HB1 ))
   (( segid "    " and resid 28   and name HG12))
 OR { 3520}
   (( segid "    " and resid 72   and name HB1 ))
   (( segid "    " and resid 76   and name HG12))
 ASSI { 3528}
   (( segid "    " and resid 72   and name HB2 ))
   (  segid "    " and resid 28   and name HD1%)
      6.000     4.500     0.000 peak  3528 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.949 ppm2      0.795 CV     1
 OR { 3528}
   (( segid "    " and resid 72   and name HB2 ))
   (( segid "    " and resid 64   and name HG  ))
 ASSI { 3531}
   (( segid "    " and resid 47   and name HB1 ))
   (( segid "    " and resid 47   and name HG1 ))
      6.000     4.500     0.000 peak  3531 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.436 ppm2      1.995 CV     1
 OR { 3531}
   (( segid "    " and resid 138  and name HB1 ))
   (( segid "    " and resid 138  and name HG1 ))
 OR { 3531}
   (( segid "    " and resid 138  and name HB1 ))
   (( segid "    " and resid 138  and name HG2 ))
 ASSI { 3532}
   (( segid "    " and resid 138  and name HB1 ))
   (( segid "    " and resid 138  and name HA  ))
      6.000     4.500     0.000 peak  3532 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.425 ppm2      4.490 CV     1
 OR { 3532}
   (( segid "    " and resid 47   and name HB1 ))
   (( segid "    " and resid 47   and name HA  ))
 ASSI { 3540}
   (( segid "    " and resid 23   and name HB1 ))
   (( segid "    " and resid 76   and name HG11))
      6.000     4.500     0.000 peak  3540 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.981 ppm2      2.125 CV     1
 OR { 3540}
   (( segid "    " and resid 23   and name HB1 ))
   (( segid "    " and resid 76   and name HG12))
 OR { 3540}
   (( segid "    " and resid 23   and name HB1 ))
   (( segid "    " and resid 25   and name HB1 ))
 OR { 3540}
   (( segid "    " and resid 23   and name HB2 ))
   (( segid "    " and resid 25   and name HB1 ))
 OR { 3540}
   (( segid "    " and resid 23   and name HB2 ))
   (( segid "    " and resid 76   and name HG12))
 OR { 3540}
   (( segid "    " and resid 23   and name HB2 ))
   (( segid "    " and resid 76   and name HG11))
 ASSI { 3544}
   (( segid "    " and resid 23   and name HB1 ))
   (( segid "    " and resid 23   and name HG1 ))
      6.000     4.500     0.000 peak  3544 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.973 ppm2      1.441 CV     1
 OR { 3544}
   (( segid "    " and resid 23   and name HB2 ))
   (( segid "    " and resid 23   and name HG1 ))
 OR { 3544}
   (( segid "    " and resid 85   and name HB2 ))
   (( segid "    " and resid 85   and name HG1 ))
 OR { 3544}
   (( segid "    " and resid 85   and name HB2 ))
   (( segid "    " and resid 85   and name HG2 ))
 OR { 3544}
   (( segid "    " and resid 23   and name HB1 ))
   (( segid "    " and resid 23   and name HD2 ))
 OR { 3544}
   (( segid "    " and resid 23   and name HB2 ))
   (( segid "    " and resid 23   and name HD2 ))
 ASSI { 3545}
   (( segid "    " and resid 44   and name HB1 ))
   (( segid "    " and resid 8    and name HA2 ))
      6.000     4.500     0.000 peak  3545 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.958 ppm2      4.179 CV     1
 OR { 3545}
   (( segid "    " and resid 44   and name HB1 ))
   (( segid "    " and resid 9    and name HA  ))
 OR { 3545}
   (( segid "    " and resid 44   and name HB2 ))
   (( segid "    " and resid 8    and name HA2 ))
 ASSI { 3547}
   (( segid "    " and resid 47   and name HB2 ))
   (( segid "    " and resid 47   and name HA  ))
      6.000     4.500     0.000 peak  3547 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.841 ppm2      4.491 CV     1
 OR { 3547}
   (( segid "    " and resid 138  and name HB2 ))
   (( segid "    " and resid 138  and name HA  ))
 ASSI { 3549}
   (( segid "    " and resid 47   and name HB2 ))
   (( segid "    " and resid 47   and name HB1 ))
      6.000     4.500     0.000 peak  3549 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.839 ppm2      2.419 CV     1
 OR { 3549}
   (( segid "    " and resid 138  and name HB2 ))
   (( segid "    " and resid 138  and name HB1 ))
 ASSI { 3551}
   (( segid "    " and resid 91   and name HB2 ))
   (( segid "    " and resid 9    and name HB1 ))
      6.000     4.500     0.000 peak  3551 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.833 ppm2      3.857 CV     1
 OR { 3551}
   (( segid "    " and resid 91   and name HB1 ))
   (( segid "    " and resid 9    and name HB1 ))
 OR { 3551}
   (( segid "    " and resid 47   and name HB2 ))
   (( segid "    " and resid 51   and name HD1 ))
 ASSI { 3559}
   (( segid "    " and resid 119  and name HB2 ))
   (  segid "    " and resid 146  and name HD1%)
      6.000     4.500     0.000 peak  3559 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.671 ppm2      0.509 CV     1
 OR { 3559}
   (( segid "    " and resid 119  and name HB2 ))
   (  segid "    " and resid 125  and name HD1%)
 OR { 3559}
   (( segid "    " and resid 119  and name HB2 ))
   (  segid "    " and resid 125  and name HD2%)
 ASSI { 3569}
   (( segid "    " and resid 115  and name HB2 ))
   (( segid "    " and resid 114  and name HB1 ))
      6.000     4.500     0.000 peak  3569 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.801 ppm2      2.133 CV     1
 OR { 3569}
   (( segid "    " and resid 115  and name HB2 ))
   (( segid "    " and resid 99   and name HB2 ))
 ASSI { 3582}
   (( segid "    " and resid 2    and name HB  ))
   (( segid "    " and resid 2    and name HA  ))
      6.000     4.500     0.000 peak  3582 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.775 ppm2      4.232 CV     1
 OR { 3582}
   (( segid "    " and resid 110  and name HG2 ))
   (( segid "    " and resid 110  and name HA  ))
 OR { 3582}
   (( segid "    " and resid 110  and name HG1 ))
   (( segid "    " and resid 110  and name HA  ))
 ASSI { 3583}
   (( segid "    " and resid 2    and name HB  ))
   (( segid "    " and resid 102  and name HA2 ))
      6.000     4.500     0.000 peak  3583 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.777 ppm2      3.892 CV     1
 OR { 3583}
   (( segid "    " and resid 2    and name HB  ))
   (( segid "    " and resid 102  and name HA1 ))
 OR { 3583}
   (( segid "    " and resid 110  and name HG2 ))
   (( segid "    " and resid 111  and name HA  ))
 OR { 3583}
   (( segid "    " and resid 110  and name HG1 ))
   (( segid "    " and resid 111  and name HA  ))
 ASSI { 3592}
   (( segid "    " and resid 32   and name HB1 ))
   (( segid "    " and resid 34   and name HB2 ))
      6.000     4.500     0.000 peak  3592 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.140 ppm2      1.582 CV     1
 OR { 3592}
   (( segid "    " and resid 32   and name HB1 ))
   (( segid "    " and resid 33   and name HG11))
 OR { 3592}
   (( segid "    " and resid 32   and name HB1 ))
   (( segid "    " and resid 33   and name HG12))
 ASSI { 3601}
   (( segid "    " and resid 17   and name HG1 ))
   (  segid "    " and resid 12   and name HB% )
      6.000     4.500     0.000 peak  3601 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.644 ppm2      1.237 CV     1
 OR { 3601}
   (( segid "    " and resid 17   and name HG2 ))
   (  segid "    " and resid 12   and name HB% )
 OR { 3601}
   (( segid "    " and resid 17   and name HG1 ))
   (  segid "    " and resid 93   and name HG2%)
 ASSI { 3639}
   (( segid "    " and resid 133  and name HB2 ))
   (( segid "    " and resid 133  and name HG2 ))
      6.000     4.500     0.000 peak  3639 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.604 ppm2      1.792 CV     1
 OR { 3639}
   (( segid "    " and resid 82   and name HB1 ))
   (( segid "    " and resid 82   and name HG2 ))
 OR { 3639}
   (( segid "    " and resid 133  and name HB2 ))
   (( segid "    " and resid 133  and name HG1 ))
 OR { 3639}
   (( segid "    " and resid 82   and name HB2 ))
   (( segid "    " and resid 82   and name HG2 ))
 ASSI { 3652}
   (( segid "    " and resid 144  and name HB2 ))
   (( segid "    " and resid 144  and name HG1 ))
      6.000     4.500     0.000 peak  3652 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.126 ppm2      1.611 CV     1
 OR { 3652}
   (( segid "    " and resid 144  and name HB2 ))
   (( segid "    " and resid 133  and name HB2 ))
 ASSI { 3657}
   (( segid "    " and resid 141  and name HB1 ))
   (( segid "    " and resid 137  and name HB2 ))
      6.000     4.500     0.000 peak  3657 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.808 ppm2      3.388 CV     1
 OR { 3657}
   (( segid "    " and resid 144  and name HB1 ))
   (( segid "    " and resid 144  and name HD1 ))
 ASSI { 3659}
   (( segid "    " and resid 144  and name HB1 ))
   (( segid "    " and resid 144  and name HD2 ))
      6.000     4.500     0.000 peak  3659 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.803 ppm2      3.271 CV     1
 OR { 3659}
   (( segid "    " and resid 141  and name HB1 ))
   (( segid "    " and resid 137  and name HB1 ))
 ASSI { 3661}
   (( segid "    " and resid 141  and name HB1 ))
   (( segid "    " and resid 146  and name HG12))
      6.000     4.500     0.000 peak  3661 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.796 ppm2      1.610 CV     1
 OR { 3661}
   (( segid "    " and resid 144  and name HB1 ))
   (( segid "    " and resid 133  and name HB2 ))
 ASSI { 3662}
   (( segid "    " and resid 82   and name HB1 ))
   (( segid "    " and resid 78   and name HG  ))
      6.000     4.500     0.000 peak  3662 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.602 ppm2      0.971 CV     1
 OR { 3662}
   (( segid "    " and resid 82   and name HB2 ))
   (  segid "    " and resid 83   and name HG2%)
 OR { 3662}
   (( segid "    " and resid 82   and name HB1 ))
   (  segid "    " and resid 83   and name HG2%)
 OR { 3662}
   (( segid "    " and resid 82   and name HB2 ))
   (( segid "    " and resid 78   and name HG  ))
 OR { 3662}
   (( segid "    " and resid 82   and name HB2 ))
   (  segid "    " and resid 83   and name HG1%)
 ASSI { 3692}
   (( segid "    " and resid 141  and name HB2 ))
   (( segid "    " and resid 141  and name HG1 ))
      6.000     4.500     0.000 peak  3692 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.878 ppm2      2.281 CV     1
 OR { 3692}
   (( segid "    " and resid 141  and name HB2 ))
   (( segid "    " and resid 145  and name HB1 ))
 ASSI { 3695}
   (( segid "    " and resid 141  and name HB2 ))
   (  segid "    " and resid 146  and name HD1%)
      6.000     4.500     0.000 peak  3695 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.869 ppm2      0.480 CV     1
 OR { 3695}
   (( segid "    " and resid 141  and name HB2 ))
   (  segid "    " and resid 125  and name HD2%)
 ASSI { 3701}
   (( segid "    " and resid 141  and name HB1 ))
   (  segid "    " and resid 146  and name HD1%)
      6.000     4.500     0.000 peak  3701 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.774 ppm2      0.487 CV     1
 OR { 3701}
   (( segid "    " and resid 141  and name HB1 ))
   (  segid "    " and resid 125  and name HD2%)
 ASSI { 3713}
   (( segid "    " and resid 18   and name HB  ))
   (( segid "    " and resid 18   and name HA  ))
      6.000     4.500     0.000 peak  3713 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.539 ppm2      3.425 CV     1
 OR { 3713}
   (( segid "    " and resid 18   and name HB  ))
   (( segid "    " and resid 15   and name HA  ))
 ASSI { 3735}
   (( segid "    " and resid 66   and name HB1 ))
   (  segid "    " and resid 65   and name HB% )
      6.000     4.500     0.000 peak  3735 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.555 ppm2      1.441 CV     1
 OR { 3735}
   (( segid "    " and resid 66   and name HB1 ))
   (( segid "    " and resid 106  and name HB  ))
 ASSI { 3740}
   (( segid "    " and resid 118  and name HG1 ))
   (  segid "    " and resid 125  and name HD2%)
      6.000     4.500     0.000 peak  3740 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.340 ppm2      0.487 CV     1
 OR { 3740}
   (( segid "    " and resid 118  and name HG1 ))
   (  segid "    " and resid 146  and name HD1%)
 OR { 3740}
   (( segid "    " and resid 118  and name HG2 ))
   (  segid "    " and resid 146  and name HD1%)
 OR { 3740}
   (( segid "    " and resid 118  and name HG2 ))
   (  segid "    " and resid 125  and name HD2%)
 OR { 3740}
   (( segid "    " and resid 118  and name HG1 ))
   (  segid "    " and resid 125  and name HD1%)
 ASSI { 3741}
   (( segid "    " and resid 118  and name HG1 ))
   (( segid "    " and resid 119  and name HA  ))
      6.000     4.500     0.000 peak  3741 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.328 ppm2      3.837 CV     1
 OR { 3741}
   (( segid "    " and resid 118  and name HG2 ))
   (( segid "    " and resid 119  and name HA  ))
 OR { 3741}
   (( segid "    " and resid 118  and name HG1 ))
   (( segid "    " and resid 125  and name HA  ))
 ASSI { 3742}
   (( segid "    " and resid 118  and name HG2 ))
   (( segid "    " and resid 115  and name HB1 ))
      6.000     4.500     0.000 peak  3742 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.320 ppm2      3.010 CV     1
 OR { 3742}
   (( segid "    " and resid 118  and name HG2 ))
   (( segid "    " and resid 120  and name HB1 ))
 OR { 3742}
   (( segid "    " and resid 118  and name HG1 ))
   (( segid "    " and resid 150  and name HD2 ))
 OR { 3742}
   (( segid "    " and resid 118  and name HG1 ))
   (( segid "    " and resid 120  and name HB1 ))
 OR { 3742}
   (( segid "    " and resid 118  and name HG2 ))
   (( segid "    " and resid 150  and name HD2 ))
 ASSI { 3748}
   (( segid "    " and resid 77   and name HB1 ))
   (( segid "    " and resid 82   and name HB1 ))
      6.000     4.500     0.000 peak  3748 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.596 ppm2      1.624 CV     1
 OR { 3748}
   (( segid "    " and resid 77   and name HB1 ))
   (( segid "    " and resid 82   and name HB2 ))
 OR { 3748}
   (( segid "    " and resid 77   and name HB1 ))
   (( segid "    " and resid 96   and name HG  ))
 ASSI { 3755}
   (( segid "    " and resid 68   and name HB1 ))
   (( segid "    " and resid 69   and name HB1 ))
      6.000     4.500     0.000 peak  3755 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.296 ppm2      1.321 CV     1
 OR { 3755}
   (( segid "    " and resid 68   and name HB2 ))
   (( segid "    " and resid 69   and name HB1 ))
 OR { 3755}
   (( segid "    " and resid 68   and name HB2 ))
   (( segid "    " and resid 111  and name HB2 ))
 ASSI { 3756}
   (( segid "    " and resid 48   and name HB2 ))
   (( segid "    " and resid 92   and name HG1 ))
      6.000     4.500     0.000 peak  3756 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.289 ppm2      1.797 CV     1
 OR { 3756}
   (( segid "    " and resid 68   and name HB1 ))
   (( segid "    " and resid 64   and name HB2 ))
 OR { 3756}
   (( segid "    " and resid 68   and name HB2 ))
   (( segid "    " and resid 64   and name HB2 ))
 ASSI { 3762}
   (( segid "    " and resid 87   and name HB2 ))
   (( segid "    " and resid 86   and name HA  ))
      6.000     4.500     0.000 peak  3762 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.028 ppm2      4.309 CV     1
 OR { 3762}
   (( segid "    " and resid 87   and name HB1 ))
   (( segid "    " and resid 48   and name HA  ))
 OR { 3762}
   (( segid "    " and resid 87   and name HB2 ))
   (( segid "    " and resid 48   and name HA  ))
 OR { 3762}
   (( segid "    " and resid 87   and name HB1 ))
   (( segid "    " and resid 84   and name HA  ))
 OR { 3762}
   (( segid "    " and resid 87   and name HB2 ))
   (( segid "    " and resid 84   and name HA  ))
 OR { 3762}
   (( segid "    " and resid 50   and name HB2 ))
   (( segid "    " and resid 48   and name HA  ))
 OR { 3762}
   (( segid "    " and resid 50   and name HB1 ))
   (( segid "    " and resid 48   and name HA  ))
 ASSI { 3763}
   (( segid "    " and resid 50   and name HB1 ))
   (( segid "    " and resid 91   and name HD1 ))
      6.000     4.500     0.000 peak  3763 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.024 ppm2      3.486 CV     1
 OR { 3763}
   (( segid "    " and resid 50   and name HB2 ))
   (( segid "    " and resid 91   and name HD1 ))
 OR { 3763}
   (( segid "    " and resid 87   and name HB1 ))
   (( segid "    " and resid 91   and name HD1 ))
 ASSI { 3767}
   (( segid "    " and resid 84   and name HB1 ))
   (( segid "    " and resid 84   and name HA  ))
      6.000     4.500     0.000 peak  3767 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.876 ppm2      4.282 CV     1
 OR { 3767}
   (( segid "    " and resid 141  and name HB2 ))
   (( segid "    " and resid 141  and name HA  ))
 OR { 3767}
   (( segid "    " and resid 84   and name HB2 ))
   (( segid "    " and resid 84   and name HA  ))
 ASSI { 3768}
   (( segid "    " and resid 141  and name HB2 ))
   (  segid "    " and resid 136  and name HG2%)
      6.000     4.500     0.000 peak  3768 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.877 ppm2      1.079 CV     1
 OR { 3768}
   (( segid "    " and resid 141  and name HB2 ))
   (  segid "    " and resid 142  and name HE% )
 OR { 3768}
   (( segid "    " and resid 141  and name HB2 ))
   (  segid "    " and resid 136  and name HG1%)
 ASSI { 3784}
   (( segid "    " and resid 61   and name HB1 ))
   (( segid "    " and resid 61   and name HB2 ))
      6.000     4.500     0.000 peak  3784 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.306 ppm2      1.756 CV     1
 OR { 3784}
   (( segid "    " and resid 66   and name HB2 ))
   (( segid "    " and resid 66   and name HG2 ))
 ASSI { 3785}
   (( segid "    " and resid 66   and name HB2 ))
   (( segid "    " and resid 66   and name HG1 ))
      6.000     4.500     0.000 peak  3785 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.296 ppm2      0.807 CV     1
 OR { 3785}
   (( segid "    " and resid 61   and name HB1 ))
   (  segid "    " and resid 34   and name HD2%)
 ASSI { 3807}
   (( segid "    " and resid 48   and name HB2 ))
   (( segid "    " and resid 51   and name HD1 ))
      6.000     6.000     0.000 peak  3807 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.281 ppm2      3.894 CV     1
 OR { 3807}
   (( segid "    " and resid 68   and name HB2 ))
   (( segid "    " and resid 111  and name HA  ))
 ASSI { 3822}
   (( segid "    " and resid 87   and name HB2 ))
   (( segid "    " and resid 92   and name HB2 ))
      6.000     4.500     0.000 peak  3822 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.020 ppm2      1.661 CV     1
 OR { 3822}
   (( segid "    " and resid 87   and name HB1 ))
   (( segid "    " and resid 92   and name HB2 ))
 OR { 3822}
   (( segid "    " and resid 87   and name HB1 ))
   (( segid "    " and resid 88   and name HB2 ))
 ASSI { 3823}
   (( segid "    " and resid 87   and name HB2 ))
   (  segid "    " and resid 86   and name HB% )
      6.000     4.500     0.000 peak  3823 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.019 ppm2      1.451 CV     1
 OR { 3823}
   (( segid "    " and resid 87   and name HB1 ))
   (  segid "    " and resid 86   and name HB% )
 OR { 3823}
   (( segid "    " and resid 87   and name HB1 ))
   (( segid "    " and resid 85   and name HG1 ))
 OR { 3823}
   (( segid "    " and resid 87   and name HB2 ))
   (( segid "    " and resid 94   and name HG  ))
 OR { 3823}
   (( segid "    " and resid 87   and name HB1 ))
   (( segid "    " and resid 94   and name HG  ))
 ASSI { 3842}
   (( segid "    " and resid 16   and name HB2 ))
   (( segid "    " and resid 13   and name HB2 ))
      6.000     4.500     0.000 peak  3842 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.285 ppm2      4.123 CV     1
 OR { 3842}
   (( segid "    " and resid 16   and name HB2 ))
   (( segid "    " and resid 16   and name HA  ))
 ASSI { 3845}
   (( segid "    " and resid 28   and name HG12))
   (  segid "    " and resid 28   and name HD1%)
      6.000     4.500     0.000 peak  3845 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.100 ppm2      0.803 CV     1
 OR { 3845}
   (( segid "    " and resid 28   and name HG11))
   (  segid "    " and resid 28   and name HD1%)
 OR { 3845}
   (( segid "    " and resid 76   and name HG12))
   (  segid "    " and resid 28   and name HD1%)
 ASSI { 3867}
   (( segid "    " and resid 33   and name HG11))
   (  segid "    " and resid 60   and name HD1%)
      6.000     4.500     0.000 peak  3867 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.597 ppm2      0.776 CV     1
 OR { 3867}
   (( segid "    " and resid 33   and name HG12))
   (  segid "    " and resid 60   and name HD1%)
 OR { 3867}
   (( segid "    " and resid 33   and name HG12))
   (  segid "    " and resid 33   and name HG2%)
 OR { 3867}
   (( segid "    " and resid 33   and name HG11))
   (  segid "    " and resid 33   and name HG2%)
 ASSI { 3892}
   (( segid "    " and resid 28   and name HG11))
   (  segid "    " and resid 73   and name HG2%)
      6.000     4.500     0.000 peak  3892 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.105 ppm2      1.101 CV     1
 OR { 3892}
   (( segid "    " and resid 76   and name HG12))
   (  segid "    " and resid 73   and name HG2%)
 OR { 3892}
   (( segid "    " and resid 28   and name HG12))
   (  segid "    " and resid 73   and name HG2%)
 OR { 3892}
   (( segid "    " and resid 28   and name HG11))
   (  segid "    " and resid 62   and name HG2%)
 ASSI { 3898}
   (( segid "    " and resid 33   and name HG12))
   (( segid "    " and resid 60   and name HG  ))
      6.000     4.500     0.000 peak  3898 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.613 ppm2      1.309 CV     1
 OR { 3898}
   (( segid "    " and resid 33   and name HG11))
   (( segid "    " and resid 60   and name HG  ))
 OR { 3898}
   (( segid "    " and resid 33   and name HG12))
   (( segid "    " and resid 61   and name HB1 ))
 ASSI { 3931}
   (( segid "    " and resid 67   and name HB1 ))
   (( segid "    " and resid 106  and name HB  ))
      6.000     4.500     0.000 peak  3931 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.862 ppm2      1.489 CV     1
 OR { 3931}
   (( segid "    " and resid 67   and name HB1 ))
   (  segid "    " and resid 65   and name HB% )
 OR { 3931}
   (( segid "    " and resid 67   and name HB2 ))
   (  segid "    " and resid 65   and name HB% )
 ASSI { 3936}
   (( segid "    " and resid 100  and name HG  ))
   (  segid "    " and resid 135  and name HD2%)
      6.000     6.000     0.000 peak  3936 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.604 ppm2      0.117 CV     1
 OR { 3936}
   (( segid "    " and resid 5    and name HG11))
   (  segid "    " and resid 2    and name HG2%)
 ASSI { 3956}
   (( segid "    " and resid 146  and name HG12))
   (( segid "    " and resid 146  and name HG11))
      6.000     4.500     0.000 peak  3956 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.592 ppm2      1.003 CV     1
 OR { 3956}
   (( segid "    " and resid 5    and name HG12))
   (  segid "    " and resid 69   and name HD1%)
 ASSI { 3957}
   (( segid "    " and resid 146  and name HG12))
   (  segid "    " and resid 146  and name HD1%)
      6.000     4.500     0.000 peak  3957 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.596 ppm2      0.487 CV     1
 OR { 3957}
   (( segid "    " and resid 146  and name HG12))
   (  segid "    " and resid 125  and name HD2%)
 ASSI { 3971}
   (( segid "    " and resid 146  and name HG11))
   (  segid "    " and resid 146  and name HD1%)
      6.000     4.500     0.000 peak  3971 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.983 ppm2      0.482 CV     1
 OR { 3971}
   (( segid "    " and resid 98   and name HG12))
   (  segid "    " and resid 70   and name HD1%)
 OR { 3971}
   (( segid "    " and resid 146  and name HG11))
   (  segid "    " and resid 125  and name HD2%)
 ASSI { 3984}
   (( segid "    " and resid 127  and name HG2 ))
   (  segid "    " and resid 56   and name HB% )
      6.000     4.500     0.000 peak  3984 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.060 ppm2      1.403 CV     1
 OR { 3984}
   (( segid "    " and resid 127  and name HG2 ))
   (( segid "    " and resid 154  and name HB2 ))
 OR { 3984}
   (( segid "    " and resid 127  and name HG2 ))
   (( segid "    " and resid 154  and name HB1 ))
 ASSI { 3995}
   (( segid "    " and resid 100  and name HG  ))
   (( segid "    " and resid 114  and name HG1 ))
      6.000     4.500     0.000 peak  3995 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.618 ppm2      2.465 CV     1
 OR { 3995}
   (( segid "    " and resid 41   and name HG2 ))
   (( segid "    " and resid 52   and name HB1 ))
 ASSI { 3996}
   (( segid "    " and resid 146  and name HG12))
   (( segid "    " and resid 143  and name HA  ))
      6.000     4.500     0.000 peak  3996 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.599 ppm2      4.107 CV     1
 OR { 3996}
   (( segid "    " and resid 127  and name HG1 ))
   (( segid "    " and resid 37   and name HB2 ))
 ASSI { 3998}
   (( segid "    " and resid 146  and name HG12))
   (( segid "    " and resid 141  and name HG1 ))
      6.000     4.500     0.000 peak  3998 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.596 ppm2      2.274 CV     1
 OR { 3998}
   (( segid "    " and resid 127  and name HG1 ))
   (( segid "    " and resid 55   and name HB2 ))
 ASSI { 4002}
   (( segid "    " and resid 5    and name HG11))
   (( segid "    " and resid 60   and name HG  ))
      6.000     4.500     0.000 peak  4002 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.583 ppm2      1.323 CV     1
 OR { 4002}
   (( segid "    " and resid 5    and name HG12))
   (( segid "    " and resid 60   and name HG  ))
 OR { 4002}
   (( segid "    " and resid 5    and name HG12))
   (( segid "    " and resid 69   and name HB1 ))
 OR { 4002}
   (( segid "    " and resid 5    and name HG11))
   (( segid "    " and resid 69   and name HB1 ))
 ASSI { 4019}
   (( segid "    " and resid 79   and name HB2 ))
   (  segid "    " and resid 76   and name HG2%)
      6.000     4.500     0.000 peak  4019 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.280 ppm2      0.842 CV     1
 OR { 4019}
   (( segid "    " and resid 79   and name HB2 ))
   (  segid "    " and resid 94   and name HD2%)
 OR { 4019}
   (( segid "    " and resid 79   and name HB2 ))
   (  segid "    " and resid 25   and name HD2%)
 OR { 4019}
   (( segid "    " and resid 79   and name HB2 ))
   (  segid "    " and resid 94   and name HD1%)
 ASSI { 4022}
   (( segid "    " and resid 74   and name HB1 ))
   (( segid "    " and resid 78   and name HG  ))
      6.000     4.500     0.000 peak  4022 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.273 ppm2      0.998 CV     1
 OR { 4022}
   (( segid "    " and resid 79   and name HB2 ))
   (( segid "    " and resid 78   and name HG  ))
 ASSI { 4057}
   (( segid "    " and resid 84   and name HG2 ))
   (( segid "    " and resid 84   and name HA  ))
      6.000     4.500     0.000 peak  4057 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.671 ppm2      4.264 CV     1
 OR { 4057}
   (( segid "    " and resid 84   and name HG1 ))
   (( segid "    " and resid 84   and name HA  ))
 OR { 4057}
   (( segid "    " and resid 84   and name HG2 ))
   (( segid "    " and resid 83   and name HA  ))
 ASSI { 4058}
   (( segid "    " and resid 84   and name HG2 ))
   (( segid "    " and resid 82   and name HG2 ))
      6.000     4.500     0.000 peak  4058 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.672 ppm2      1.801 CV     1
 OR { 4058}
   (( segid "    " and resid 84   and name HG1 ))
   (( segid "    " and resid 82   and name HG2 ))
 OR { 4058}
   (( segid "    " and resid 84   and name HG2 ))
   (( segid "    " and resid 92   and name HG1 ))
 OR { 4058}
   (( segid "    " and resid 84   and name HG1 ))
   (( segid "    " and resid 92   and name HG1 ))
 ASSI { 4065}
   (( segid "    " and resid 144  and name HG2 ))
   (( segid "    " and resid 144  and name HD2 ))
      6.000     4.500     0.000 peak  4065 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.575 ppm2      3.255 CV     1
 OR { 4065}
   (( segid "    " and resid 127  and name HG1 ))
   (( segid "    " and resid 127  and name HD2 ))
 ASSI { 4066}
   (( segid "    " and resid 127  and name HG1 ))
   (( segid "    " and resid 127  and name HD1 ))
      6.000     4.500     0.000 peak  4066 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.571 ppm2      3.383 CV     1
 OR { 4066}
   (( segid "    " and resid 144  and name HG2 ))
   (( segid "    " and resid 144  and name HD1 ))
 ASSI { 4091}
   (  segid "    " and resid 100  and name HD1%)
   (( segid "    " and resid 135  and name HG  ))
      6.000     4.500     0.000 peak  4091 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.672 ppm2      1.242 CV     1
 OR { 4091}
   (  segid "    " and resid 100  and name HD1%)
   (( segid "    " and resid 128  and name HB1 ))
 ASSI { 4106}
   (( segid "    " and resid 126  and name HB2 ))
   (( segid "    " and resid 155  and name HB2 ))
      6.000     4.500     0.000 peak  4106 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.971 ppm2      1.433 CV     1
 OR { 4106}
   (( segid "    " and resid 126  and name HB2 ))
   (( segid "    " and resid 154  and name HB2 ))
 OR { 4106}
   (( segid "    " and resid 126  and name HB2 ))
   (( segid "    " and resid 155  and name HB1 ))
 ASSI { 4122}
   (( segid "    " and resid 30   and name HB2 ))
   (( segid "    " and resid 30   and name HB1 ))
      6.000     4.500     0.000 peak  4122 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.999 ppm2      2.402 CV     1
 OR { 4122}
   (( segid "    " and resid 29   and name HG1 ))
   (( segid "    " and resid 29   and name HB2 ))
 ASSI { 4130}
   (( segid "    " and resid 80   and name HB1 ))
   (( segid "    " and resid 78   and name HA  ))
      6.000     4.500     0.000 peak  4130 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.802 ppm2      4.189 CV     1
 OR { 4130}
   (( segid "    " and resid 80   and name HB1 ))
   (( segid "    " and resid 79   and name HA  ))
 OR { 4130}
   (( segid "    " and resid 80   and name HB1 ))
   (( segid "    " and resid 20   and name HA  ))
 ASSI { 4136}
   (( segid "    " and resid 133  and name HG1 ))
   (( segid "    " and resid 143  and name HG  ))
      6.000     4.500     0.000 peak  4136 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.804 ppm2      0.980 CV     1
 OR { 4136}
   (( segid "    " and resid 133  and name HG2 ))
   (( segid "    " and resid 143  and name HG  ))
 OR { 4136}
   (( segid "    " and resid 80   and name HB1 ))
   (( segid "    " and resid 96   and name HB1 ))
 ASSI { 4172}
   (( segid "    " and resid 126  and name HB1 ))
   (( segid "    " and resid 155  and name HB2 ))
      6.000     4.500     0.000 peak  4172 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.116 ppm2      1.446 CV     1
 OR { 4172}
   (( segid "    " and resid 126  and name HB1 ))
   (( segid "    " and resid 154  and name HB2 ))
 OR { 4172}
   (( segid "    " and resid 126  and name HB1 ))
   (( segid "    " and resid 155  and name HB1 ))
 ASSI { 4187}
   (( segid "    " and resid 92   and name HG1 ))
   (( segid "    " and resid 48   and name HA  ))
      6.000     4.500     0.000 peak  4187 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.812 ppm2      4.359 CV     1
 OR { 4187}
   (( segid "    " and resid 92   and name HG1 ))
   (( segid "    " and resid 90   and name HA2 ))
 ASSI { 4191}
   (( segid "    " and resid 150  and name HG1 ))
   (( segid "    " and resid 150  and name HB2 ))
      6.000     4.500     0.000 peak  4191 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.512 ppm2      1.267 CV     1
 OR { 4191}
   (( segid "    " and resid 15   and name HG  ))
   (( segid "    " and resid 15   and name HB2 ))
 ASSI { 4202}
   (( segid "    " and resid 82   and name HG1 ))
   (( segid "    " and resid 83   and name HA  ))
      6.000     4.500     0.000 peak  4202 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.415 ppm2      4.313 CV     1
 OR { 4202}
   (( segid "    " and resid 82   and name HG1 ))
   (( segid "    " and resid 84   and name HA  ))
 OR { 4202}
   (( segid "    " and resid 92   and name HG2 ))
   (( segid "    " and resid 84   and name HA  ))
 ASSI { 4213}
   (( segid "    " and resid 106  and name HG11))
   (( segid "    " and resid 104  and name HB2 ))
      6.000     4.500     0.000 peak  4213 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.085 ppm2      2.367 CV     1
 OR { 4213}
   (( segid "    " and resid 106  and name HG12))
   (( segid "    " and resid 104  and name HB2 ))
 OR { 4213}
   (  segid "    " and resid 73   and name HG2%)
   (( segid "    " and resid 97   and name HB1 ))
 ASSI { 4271}
   (  segid "    " and resid 96   and name HD2%)
   (( segid "    " and resid 7    and name HG12))
      6.000     4.500     0.000 peak  4271 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.148 ppm2      1.605 CV     1
 OR { 4271}
   (  segid "    " and resid 96   and name HD1%)
   (( segid "    " and resid 7    and name HG12))
 OR { 4271}
   (  segid "    " and resid 96   and name HD1%)
   (( segid "    " and resid 5    and name HG12))
 OR { 4271}
   (  segid "    " and resid 96   and name HD1%)
   (( segid "    " and resid 5    and name HG11))
 ASSI { 4276}
   (  segid "    " and resid 96   and name HD1%)
   (  segid "    " and resid 5    and name HG2%)
      6.000     4.500     0.000 peak  4276 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.142 ppm2      0.848 CV     1
 OR { 4276}
   (  segid "    " and resid 96   and name HD2%)
   (  segid "    " and resid 76   and name HG2%)
 OR { 4276}
   (  segid "    " and resid 96   and name HD1%)
   (  segid "    " and resid 25   and name HD2%)
 OR { 4276}
   (  segid "    " and resid 96   and name HD2%)
   (  segid "    " and resid 94   and name HD1%)
 OR { 4276}
   (  segid "    " and resid 96   and name HD2%)
   (  segid "    " and resid 25   and name HD2%)
 OR { 4276}
   (  segid "    " and resid 96   and name HD1%)
   (  segid "    " and resid 25   and name HD1%)
 OR { 4276}
   (  segid "    " and resid 96   and name HD2%)
   (  segid "    " and resid 94   and name HD2%)
 ASSI { 4293}
   (  segid "    " and resid 64   and name HD1%)
   (( segid "    " and resid 72   and name HB1 ))
      6.000     4.500     0.000 peak  4293 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.713 ppm2      3.441 CV     1
 OR { 4293}
   (  segid "    " and resid 64   and name HD2%)
   (( segid "    " and resid 72   and name HB1 ))
 OR { 4293}
   (  segid "    " and resid 64   and name HD1%)
   (( segid "    " and resid 66   and name HD1 ))
 ASSI { 4294}
   (  segid "    " and resid 64   and name HD1%)
   (( segid "    " and resid 68   and name HG2 ))
      6.000     4.500     0.000 peak  4294 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.711 ppm2      2.411 CV     1
 OR { 4294}
   (  segid "    " and resid 64   and name HD2%)
   (( segid "    " and resid 29   and name HB2 ))
 OR { 4294}
   (  segid "    " and resid 64   and name HD1%)
   (( segid "    " and resid 68   and name HG1 ))
 OR { 4294}
   (  segid "    " and resid 64   and name HD2%)
   (( segid "    " and resid 30   and name HB1 ))
 ASSI { 4295}
   (  segid "    " and resid 64   and name HD1%)
   (( segid "    " and resid 69   and name HB2 ))
      6.000     4.500     0.000 peak  4295 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.709 ppm2      2.193 CV     1
 OR { 4295}
   (  segid "    " and resid 64   and name HD2%)
   (( segid "    " and resid 30   and name HG2 ))
 OR { 4295}
   (  segid "    " and resid 64   and name HD2%)
   (( segid "    " and resid 69   and name HB2 ))
 ASSI { 4301}
   (  segid "    " and resid 125  and name HD1%)
   (( segid "    " and resid 147  and name HA  ))
      6.000     4.500     0.000 peak  4301 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.496 ppm2      3.660 CV     1
 OR { 4301}
   (  segid "    " and resid 125  and name HD1%)
   (( segid "    " and resid 146  and name HA  ))
 OR { 4301}
   (  segid "    " and resid 125  and name HD2%)
   (( segid "    " and resid 147  and name HA  ))
 OR { 4301}
   (  segid "    " and resid 125  and name HD2%)
   (( segid "    " and resid 146  and name HA  ))
 ASSI { 4302}
   (  segid "    " and resid 125  and name HD2%)
   (( segid "    " and resid 124  and name HB2 ))
      6.000     4.500     0.000 peak  4302 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.496 ppm2      2.165 CV     1
 OR { 4302}
   (  segid "    " and resid 125  and name HD2%)
   (( segid "    " and resid 124  and name HB1 ))
 OR { 4302}
   (  segid "    " and resid 125  and name HD1%)
   (( segid "    " and resid 124  and name HB1 ))
 OR { 4302}
   (  segid "    " and resid 70   and name HD1%)
   (( segid "    " and resid 99   and name HB2 ))
 OR { 4302}
   (  segid "    " and resid 125  and name HD2%)
   (( segid "    " and resid 144  and name HB2 ))
 OR { 4302}
   (  segid "    " and resid 70   and name HD1%)
   (( segid "    " and resid 96   and name HB2 ))
 ASSI { 4304}
   (  segid "    " and resid 125  and name HD2%)
   (( segid "    " and resid 146  and name HG12))
      6.000     4.500     0.000 peak  4304 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.499 ppm2      1.629 CV     1
 OR { 4304}
   (  segid "    " and resid 125  and name HD1%)
   (( segid "    " and resid 146  and name HG12))
 OR { 4304}
   (  segid "    " and resid 70   and name HD1%)
   (( segid "    " and resid 69   and name HG  ))
 ASSI { 4305}
   (  segid "    " and resid 125  and name HD1%)
   (( segid "    " and resid 125  and name HB1 ))
      6.000     4.500     0.000 peak  4305 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.497 ppm2      1.027 CV     1
 OR { 4305}
   (  segid "    " and resid 125  and name HD2%)
   (( segid "    " and resid 125  and name HB1 ))
 OR { 4305}
   (  segid "    " and resid 70   and name HD1%)
   (( segid "    " and resid 70   and name HB1 ))
 ASSI { 4306}
   (  segid "    " and resid 125  and name HD1%)
   (  segid "    " and resid 146  and name HG2%)
      6.000     4.500     0.000 peak  4306 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.498 ppm2      0.751 CV     1
 OR { 4306}
   (  segid "    " and resid 70   and name HD1%)
   (  segid "    " and resid 70   and name HD2%)
 OR { 4306}
   (  segid "    " and resid 125  and name HD2%)
   (  segid "    " and resid 146  and name HG2%)
 ASSI { 4310}
   (( segid "    " and resid 125  and name HG  ))
   (( segid "    " and resid 119  and name HA  ))
      6.000     4.500     0.000 peak  4310 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.325 ppm2      3.814 CV     1
 OR { 4310}
   (( segid "    " and resid 125  and name HG  ))
   (( segid "    " and resid 125  and name HA  ))
 ASSI { 4312}
   (( segid "    " and resid 125  and name HG  ))
   (( segid "    " and resid 150  and name HG1 ))
      6.000     4.500     0.000 peak  4312 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.324 ppm2      1.515 CV     1
 OR { 4312}
   (( segid "    " and resid 125  and name HG  ))
   (( segid "    " and resid 119  and name HB1 ))
 ASSI { 4345}
   (( segid "    " and resid 60   and name HG  ))
   (( segid "    " and resid 32   and name HB2 ))
      6.000     4.500     0.000 peak  4345 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.302 ppm2      3.356 CV     1
 OR { 4345}
   (( segid "    " and resid 60   and name HG  ))
   (( segid "    " and resid 66   and name HA  ))
 ASSI { 4350}
   (  segid "    " and resid 22   and name HD1%)
   (( segid "    " and resid 22   and name HB2 ))
      6.000     4.500     0.000 peak  4350 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.139 ppm2      1.485 CV     1
 OR { 4350}
   (  segid "    " and resid 96   and name HD2%)
   (( segid "    " and resid 94   and name HG  ))
 OR { 4350}
   (  segid "    " and resid 22   and name HD1%)
   (( segid "    " and resid 23   and name HG1 ))
 ASSI { 4369}
   (  segid "    " and resid 34   and name HD2%)
   (  segid "    " and resid 35   and name HG2%)
      6.000     4.500     0.000 peak  4369 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.813 ppm2      1.273 CV     1
 OR { 4369}
   (  segid "    " and resid 34   and name HD1%)
   (  segid "    " and resid 35   and name HG2%)
 OR { 4369}
   (  segid "    " and resid 34   and name HD2%)
   (  segid "    " and resid 59   and name HB% )
 ASSI { 4390}
   (  segid "    " and resid 155  and name HD1%)
   (( segid "    " and resid 123  and name HA  ))
      6.000     4.500     0.000 peak  4390 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.502 ppm2      4.361 CV     1
 OR { 4390}
   (  segid "    " and resid 155  and name HD2%)
   (( segid "    " and resid 123  and name HA  ))
 OR { 4390}
   (  segid "    " and resid 155  and name HD2%)
   (( segid "    " and resid 42   and name HB  ))
 ASSI { 4391}
   (  segid "    " and resid 155  and name HD1%)
   (( segid "    " and resid 127  and name HD1 ))
      6.000     4.500     0.000 peak  4391 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.500 ppm2      3.389 CV     1
 OR { 4391}
   (  segid "    " and resid 155  and name HD2%)
   (( segid "    " and resid 123  and name HB2 ))
 OR { 4391}
   (  segid "    " and resid 155  and name HD1%)
   (( segid "    " and resid 123  and name HB2 ))
 ASSI { 4393}
   (  segid "    " and resid 155  and name HD1%)
   (( segid "    " and resid 126  and name HB2 ))
      6.000     4.500     0.000 peak  4393 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.502 ppm2      2.972 CV     1
 OR { 4393}
   (  segid "    " and resid 70   and name HD1%)
   (( segid "    " and resid 74   and name HG2 ))
 OR { 4393}
   (  segid "    " and resid 155  and name HD2%)
   (( segid "    " and resid 154  and name HA  ))
 ASSI { 4394}
   (  segid "    " and resid 155  and name HD2%)
   (( segid "    " and resid 40   and name HB1 ))
      6.000     4.500     0.000 peak  4394 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.500 ppm2      2.703 CV     1
 OR { 4394}
   (  segid "    " and resid 155  and name HD1%)
   (( segid "    " and resid 40   and name HB1 ))
 OR { 4394}
   (  segid "    " and resid 155  and name HD1%)
   (( segid "    " and resid 127  and name HB1 ))
 ASSI { 4397}
   (( segid "    " and resid 125  and name HG  ))
   (( segid "    " and resid 122  and name HA1 ))
      6.000     4.500     0.000 peak  4397 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.329 ppm2      4.131 CV     1
 OR { 4397}
   (( segid "    " and resid 125  and name HG  ))
   (( segid "    " and resid 121  and name HA  ))
 ASSI { 4416}
   (( segid "    " and resid 125  and name HG  ))
   (( segid "    " and resid 147  and name HA  ))
      6.000     4.500     0.000 peak  4416 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.326 ppm2      3.659 CV     1
 OR { 4416}
   (( segid "    " and resid 125  and name HG  ))
   (( segid "    " and resid 146  and name HA  ))
 ASSI { 4435}
   (  segid "    " and resid 135  and name HD2%)
   (( segid "    " and resid 136  and name HB  ))
      6.000     4.500     0.000 peak  4435 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.115 ppm2      1.975 CV     1
 OR { 4435}
   (  segid "    " and resid 135  and name HD2%)
   (( segid "    " and resid 114  and name HG2 ))
 ASSI { 4449}
   (  segid "    " and resid 60   and name HD2%)
   (( segid "    " and resid 5    and name HG11))
      6.000     4.500     0.000 peak  4449 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.681 ppm2      1.588 CV     1
 OR { 4449}
   (  segid "    " and resid 60   and name HD2%)
   (( segid "    " and resid 33   and name HG11))
 OR { 4449}
   (  segid "    " and resid 60   and name HD2%)
   (( segid "    " and resid 28   and name HB  ))
 OR { 4449}
   (  segid "    " and resid 60   and name HD2%)
   (( segid "    " and resid 33   and name HG12))
 OR { 4449}
   (  segid "    " and resid 60   and name HD2%)
   (( segid "    " and resid 5    and name HG12))
 ASSI { 4452}
   (  segid "    " and resid 135  and name HD1%)
   (( segid "    " and resid 136  and name HB  ))
      6.000     4.500     0.000 peak  4452 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.379 ppm2      1.987 CV     1
 OR { 4452}
   (  segid "    " and resid 135  and name HD1%)
   (( segid "    " and resid 114  and name HG2 ))
 ASSI { 4492}
   (( segid "    " and resid 143  and name HG  ))
   (( segid "    " and resid 133  and name HA  ))
      6.000     4.500     0.000 peak  4492 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.971 ppm2      4.101 CV     1
 OR { 4492}
   (( segid "    " and resid 143  and name HG  ))
   (( segid "    " and resid 143  and name HA  ))
 ASSI { 4497}
   (( segid "    " and resid 143  and name HG  ))
   (  segid "    " and resid 125  and name HD2%)
      6.000     4.500     0.000 peak  4497 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.966 ppm2      0.476 CV     1
 OR { 4497}
   (( segid "    " and resid 143  and name HG  ))
   (  segid "    " and resid 146  and name HD1%)
 ASSI { 4498}
   (( segid "    " and resid 143  and name HG  ))
   (( segid "    " and resid 128  and name HG  ))
      6.000     4.500     0.000 peak  4498 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.966 ppm2      0.323 CV     1
 OR { 4498}
   (( segid "    " and resid 143  and name HG  ))
   (( segid "    " and resid 125  and name HG  ))
 ASSI { 4517}
   (  segid "    " and resid 54   and name HD2%)
   (( segid "    " and resid 15   and name HA  ))
      6.000     4.500     0.000 peak  4517 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1     -0.632 ppm2      3.406 CV     1
 OR { 4517}
   (  segid "    " and resid 54   and name HD1%)
   (( segid "    " and resid 39   and name HB1 ))
 OR { 4517}
   (  segid "    " and resid 54   and name HD2%)
   (( segid "    " and resid 39   and name HB1 ))
 ASSI { 4519}
   (  segid "    " and resid 54   and name HD1%)
   (( segid "    " and resid 39   and name HB2 ))
      6.000     4.500     0.000 peak  4519 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1     -0.635 ppm2      2.758 CV     1
 OR { 4519}
   (  segid "    " and resid 54   and name HD1%)
   (( segid "    " and resid 158  and name HB1 ))
 OR { 4519}
   (  segid "    " and resid 54   and name HD2%)
   (( segid "    " and resid 39   and name HB2 ))
 ASSI { 4529}
   (  segid "    " and resid 54   and name HD2%)
   (  segid "    " and resid 18   and name HG2%)
      6.000     4.500     0.000 peak  4529 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1     -0.632 ppm2      0.234 CV     1
 OR { 4529}
   (  segid "    " and resid 54   and name HD1%)
   (( segid "    " and resid 54   and name HG  ))
 OR { 4529}
   (  segid "    " and resid 54   and name HD2%)
   (( segid "    " and resid 54   and name HG  ))
 ASSI { 4549}
   (( segid "    " and resid 23   and name HG1 ))
   (( segid "    " and resid 23   and name HB1 ))
      6.000     4.500     0.000 peak  4549 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.449 ppm2      1.968 CV     1
 OR { 4549}
   (( segid "    " and resid 23   and name HG1 ))
   (( segid "    " and resid 23   and name HB2 ))
 OR { 4549}
   (( segid "    " and resid 85   and name HG1 ))
   (( segid "    " and resid 85   and name HB2 ))
 OR { 4549}
   (( segid "    " and resid 85   and name HG2 ))
   (( segid "    " and resid 85   and name HB2 ))
 ASSI { 4562}
   (  segid "    " and resid 100  and name HD2%)
   (( segid "    " and resid 102  and name HA2 ))
      6.000     4.500     0.000 peak  4562 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.081 ppm2      3.882 CV     1
 OR { 4562}
   (  segid "    " and resid 100  and name HD2%)
   (( segid "    " and resid 135  and name HA  ))
 OR { 4562}
   (  segid "    " and resid 100  and name HD2%)
   (( segid "    " and resid 102  and name HA1 ))
 ASSI { 4564}
   (  segid "    " and resid 100  and name HD2%)
   (( segid "    " and resid 101  and name HB2 ))
      6.000     4.500     0.000 peak  4564 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.082 ppm2      3.344 CV     1
 OR { 4564}
   (  segid "    " and resid 100  and name HD2%)
   (( segid "    " and resid 118  and name HG1 ))
 OR { 4564}
   (  segid "    " and resid 100  and name HD2%)
   (( segid "    " and resid 118  and name HG2 ))
 ASSI { 4573}
   (  segid "    " and resid 100  and name HD2%)
   (( segid "    " and resid 99   and name HB1 ))
      6.000     6.000     0.000 peak  4573 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.079 ppm2      2.276 CV     1
 OR { 4573}
   (  segid "    " and resid 100  and name HD2%)
   (( segid "    " and resid 141  and name HG1 ))
 ASSI { 4574}
   (  segid "    " and resid 100  and name HD2%)
   (( segid "    " and resid 114  and name HG2 ))
      6.000     4.500     0.000 peak  4574 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.077 ppm2      1.989 CV     1
 OR { 4574}
   (  segid "    " and resid 100  and name HD2%)
   (( segid "    " and resid 100  and name HB2 ))
 ASSI { 4578}
   (  segid "    " and resid 100  and name HD2%)
   (( segid "    " and resid 128  and name HB1 ))
      6.000     6.000     0.000 peak  4578 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.075 ppm2      1.222 CV     1
 OR { 4578}
   (  segid "    " and resid 100  and name HD2%)
   (  segid "    " and resid 3    and name HB% )
 ASSI { 4586}
   (( segid "    " and resid 143  and name HG  ))
   (( segid "    " and resid 146  and name HB  ))
      6.000     4.500     0.000 peak  4586 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.993 ppm2      1.791 CV     1
 OR { 4586}
   (( segid "    " and resid 143  and name HG  ))
   (( segid "    " and resid 133  and name HG2 ))
 OR { 4586}
   (( segid "    " and resid 143  and name HG  ))
   (( segid "    " and resid 144  and name HB1 ))
 ASSI { 4597}
   (  segid "    " and resid 147  and name HD1%)
   (( segid "    " and resid 129  and name HA  ))
      6.000     4.500     0.000 peak  4597 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1     -0.459 ppm2      3.843 CV     1
 OR { 4597}
   (  segid "    " and resid 147  and name HD1%)
   (( segid "    " and resid 125  and name HA  ))
 ASSI { 4604}
   (  segid "    " and resid 147  and name HD1%)
   (( segid "    " and resid 143  and name HG  ))
      6.000     4.500     0.000 peak  4604 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1     -0.461 ppm2      0.961 CV     1
 OR { 4604}
   (  segid "    " and resid 147  and name HD1%)
   (( segid "    " and resid 125  and name HB2 ))
 OR { 4604}
   (  segid "    " and resid 147  and name HD1%)
   (( segid "    " and resid 150  and name HB1 ))
 ASSI { 4625}
   (  segid "    " and resid 25   and name HD1%)
   (( segid "    " and resid 22   and name HA  ))
      6.000     4.500     0.000 peak  4625 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.866 ppm2      3.972 CV     1
 OR { 4625}
   (  segid "    " and resid 25   and name HD2%)
   (( segid "    " and resid 73   and name HB  ))
 OR { 4625}
   (  segid "    " and resid 25   and name HD2%)
   (( segid "    " and resid 22   and name HA  ))
 ASSI { 4627}
   (  segid "    " and resid 25   and name HD2%)
   (( segid "    " and resid 77   and name HG1 ))
      6.000     4.500     0.000 peak  4627 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.863 ppm2      1.947 CV     1
 OR { 4627}
   (  segid "    " and resid 25   and name HD2%)
   (( segid "    " and resid 75   and name HB2 ))
 OR { 4627}
   (  segid "    " and resid 25   and name HD1%)
   (( segid "    " and resid 77   and name HG1 ))
 OR { 4627}
   (  segid "    " and resid 25   and name HD2%)
   (( segid "    " and resid 74   and name HB2 ))
 OR { 4627}
   (  segid "    " and resid 25   and name HD1%)
   (( segid "    " and resid 75   and name HB2 ))
 ASSI { 4642}
   (  segid "    " and resid 42   and name HG2%)
   (( segid "    " and resid 154  and name HE1 ))
      6.000     4.500     0.000 peak  4642 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.446 ppm2      2.853 CV     1
 OR { 4642}
   (  segid "    " and resid 42   and name HG2%)
   (( segid "    " and resid 156  and name HB1 ))
 OR { 4642}
   (  segid "    " and resid 42   and name HG2%)
   (( segid "    " and resid 156  and name HB2 ))
 OR { 4642}
   (  segid "    " and resid 42   and name HG2%)
   (( segid "    " and resid 41   and name HD1 ))
 OR { 4642}
   (  segid "    " and resid 42   and name HG2%)
   (( segid "    " and resid 154  and name HE2 ))
 ASSI { 4643}
   (  segid "    " and resid 42   and name HG2%)
   (( segid "    " and resid 55   and name HB2 ))
      6.000     4.500     0.000 peak  4643 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.446 ppm2      2.226 CV     1
 OR { 4643}
   (  segid "    " and resid 42   and name HG2%)
   (( segid "    " and resid 43   and name HG2 ))
 OR { 4643}
   (  segid "    " and resid 42   and name HG2%)
   (( segid "    " and resid 43   and name HG1 ))
 OR { 4643}
   (  segid "    " and resid 56   and name HB% )
   (( segid "    " and resid 55   and name HB2 ))
 ASSI { 4646}
   (  segid "    " and resid 42   and name HG2%)
   (( segid "    " and resid 55   and name HB1 ))
      6.000     4.500     0.000 peak  4646 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.443 ppm2      3.354 CV     1
 OR { 4646}
   (  segid "    " and resid 42   and name HG2%)
   (( segid "    " and resid 123  and name HB2 ))
 OR { 4646}
   (  segid "    " and resid 56   and name HB% )
   (( segid "    " and resid 55   and name HB1 ))
 ASSI { 4647}
   (  segid "    " and resid 56   and name HB% )
   (( segid "    " and resid 40   and name HB2 ))
      6.000     4.500     0.000 peak  4647 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.441 ppm2      3.051 CV     1
 OR { 4647}
   (  segid "    " and resid 42   and name HG2%)
   (( segid "    " and resid 40   and name HB2 ))
 ASSI { 4648}
   (  segid "    " and resid 56   and name HB% )
   (( segid "    " and resid 127  and name HB1 ))
      6.000     4.500     0.000 peak  4648 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.440 ppm2      2.705 CV     1
 OR { 4648}
   (  segid "    " and resid 56   and name HB% )
   (( segid "    " and resid 40   and name HB1 ))
 ASSI { 4654}
   (  segid "    " and resid 56   and name HB% )
   (( segid "    " and resid 127  and name HG1 ))
      6.000     4.500     0.000 peak  4654 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.425 ppm2      1.573 CV     1
 OR { 4654}
   (  segid "    " and resid 56   and name HB% )
   (( segid "    " and resid 7    and name HG11))
 ASSI { 4657}
   (  segid "    " and resid 56   and name HB% )
   (( segid "    " and resid 54   and name HG  ))
      6.000     4.500     0.000 peak  4657 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.421 ppm2      0.237 CV     1
 OR { 4657}
   (  segid "    " and resid 56   and name HB% )
   (  segid "    " and resid 18   and name HG2%)
 ASSI { 4662}
   (  segid "    " and resid 93   and name HG2%)
   (( segid "    " and resid 12   and name HA  ))
      6.000     4.500     0.000 peak  4662 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.217 ppm2      3.875 CV     1
 OR { 4662}
   (  segid "    " and resid 93   and name HG2%)
   (( segid "    " and resid 9    and name HB1 ))
 ASSI { 4666}
   (  segid "    " and resid 93   and name HG2%)
   (( segid "    " and resid 82   and name HG1 ))
      6.000     4.500     0.000 peak  4666 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.217 ppm2      1.387 CV     1
 OR { 4666}
   (  segid "    " and resid 93   and name HG2%)
   (( segid "    " and resid 92   and name HG2 ))
 ASSI { 4669}
   (  segid "    " and resid 93   and name HG2%)
   (  segid "    " and resid 83   and name HG2%)
      6.000     4.500     0.000 peak  4669 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.218 ppm2      0.961 CV     1
 OR { 4669}
   (  segid "    " and resid 93   and name HG2%)
   (( segid "    " and resid 11   and name HB1 ))
 ASSI { 4670}
   (  segid "    " and resid 93   and name HG2%)
   (( segid "    " and resid 11   and name HG  ))
      6.000     4.500     0.000 peak  4670 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.217 ppm2      0.814 CV     1
 OR { 4670}
   (  segid "    " and resid 93   and name HG2%)
   (  segid "    " and resid 7    and name HG2%)
 OR { 4670}
   (  segid "    " and resid 93   and name HG2%)
   (  segid "    " and resid 76   and name HG2%)
 ASSI { 4704}
   (  segid "    " and resid 18   and name HG1%)
   (( segid "    " and resid 21   and name HA  ))
      6.000     4.500     0.000 peak  4704 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.640 ppm2      4.154 CV     1
 OR { 4704}
   (  segid "    " and resid 18   and name HG1%)
   (( segid "    " and resid 8    and name HA2 ))
 OR { 4704}
   (  segid "    " and resid 18   and name HG1%)
   (( segid "    " and resid 20   and name HA  ))
 ASSI { 4708}
   (  segid "    " and resid 18   and name HG1%)
   (( segid "    " and resid 17   and name HB2 ))
      6.000     4.500     0.000 peak  4708 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.639 ppm2      2.177 CV     1
 OR { 4708}
   (  segid "    " and resid 18   and name HG1%)
   (( segid "    " and resid 17   and name HB1 ))
 OR { 4708}
   (  segid "    " and resid 18   and name HG1%)
   (( segid "    " and resid 96   and name HB2 ))
 ASSI { 4710}
   (  segid "    " and resid 18   and name HG1%)
   (( segid "    " and resid 18   and name HB  ))
      6.000     4.500     0.000 peak  4710 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.639 ppm2      1.542 CV     1
 OR { 4710}
   (  segid "    " and resid 18   and name HG1%)
   (  segid "    " and resid 21   and name HB% )
 ASSI { 4711}
   (  segid "    " and resid 18   and name HG1%)
   (  segid "    " and resid 22   and name HD1%)
      6.000     4.500     0.000 peak  4711 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.640 ppm2      1.122 CV     1
 OR { 4711}
   (  segid "    " and resid 18   and name HG1%)
   (  segid "    " and resid 36   and name HG1%)
 ASSI { 4733}
   (  segid "    " and resid 69   and name HD2%)
   (( segid "    " and resid 69   and name HB1 ))
      6.000     4.500     0.000 peak  4733 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.946 ppm2      1.316 CV     1
 OR { 4733}
   (  segid "    " and resid 69   and name HD2%)
   (( segid "    " and resid 60   and name HG  ))
 ASSI { 4735}
   (  segid "    " and resid 69   and name HD2%)
   (( segid "    " and resid 64   and name HG  ))
      6.000     4.500     0.000 peak  4735 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.944 ppm2      0.791 CV     1
 OR { 4735}
   (  segid "    " and resid 69   and name HD2%)
   (  segid "    " and resid 98   and name HG2%)
 ASSI { 4753}
   (( segid "    " and resid 128  and name HG  ))
   (( segid "    " and resid 143  and name HG  ))
      6.000     4.500     0.000 peak  4753 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.305 ppm2      1.001 CV     1
 OR { 4753}
   (( segid "    " and resid 128  and name HG  ))
   (  segid "    " and resid 132  and name HB% )
 ASSI { 4765}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 5    and name HB  ))
      6.000     4.500     0.000 peak  4765 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.017 ppm2      1.787 CV     1
 OR { 4765}
   (  segid "    " and resid 58   and name HG1%)
   (( segid "    " and resid 5    and name HB  ))
 OR { 4765}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 33   and name HB  ))
 OR { 4765}
   (  segid "    " and resid 58   and name HG1%)
   (( segid "    " and resid 33   and name HB  ))
 ASSI { 4767}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 33   and name HG12))
      6.000     4.500     0.000 peak  4767 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.012 ppm2      1.585 CV     1
 OR { 4767}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 33   and name HG11))
 OR { 4767}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 5    and name HG11))
 OR { 4767}
   (  segid "    " and resid 58   and name HG1%)
   (( segid "    " and resid 33   and name HG12))
 OR { 4767}
   (  segid "    " and resid 58   and name HG1%)
   (( segid "    " and resid 33   and name HG11))
 ASSI { 4769}
   (  segid "    " and resid 58   and name HG1%)
   (  segid "    " and resid 36   and name HG2%)
      6.000     4.500     0.000 peak  4769 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.012 ppm2      1.373 CV     1
 OR { 4769}
   (  segid "    " and resid 58   and name HG2%)
   (  segid "    " and resid 36   and name HG2%)
 OR { 4769}
   (  segid "    " and resid 58   and name HG1%)
   (  segid "    " and resid 57   and name HB% )
 ASSI { 4771}
   (  segid "    " and resid 58   and name HG1%)
   (  segid "    " and resid 22   and name HD1%)
      6.000     4.500     0.000 peak  4771 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.012 ppm2      1.160 CV     1
 OR { 4771}
   (  segid "    " and resid 58   and name HG2%)
   (  segid "    " and resid 22   and name HD1%)
 OR { 4771}
   (  segid "    " and resid 58   and name HG2%)
   (  segid "    " and resid 96   and name HD1%)
 ASSI { 4778}
   (  segid "    " and resid 94   and name HD1%)
   (( segid "    " and resid 9    and name HB1 ))
      6.000     4.500     0.000 peak  4778 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.866 ppm2      3.856 CV     1
 OR { 4778}
   (  segid "    " and resid 94   and name HD2%)
   (( segid "    " and resid 9    and name HB1 ))
 OR { 4778}
   (  segid "    " and resid 94   and name HD2%)
   (( segid "    " and resid 81   and name HA1 ))
 ASSI { 4784}
   (  segid "    " and resid 70   and name HD2%)
   (( segid "    " and resid 70   and name HB2 ))
      6.000     4.500     0.000 peak  4784 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.721 ppm2      1.876 CV     1
 OR { 4784}
   (  segid "    " and resid 70   and name HD2%)
   (( segid "    " and resid 98   and name HG11))
 ASSI { 4791}
   (  segid "    " and resid 113  and name HG1%)
   (( segid "    " and resid 113  and name HA  ))
      6.000     4.500     0.000 peak  4791 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.886 ppm2      4.329 CV     1
 OR { 4791}
   (  segid "    " and resid 76   and name HD1%)
   (( segid "    " and resid 73   and name HA  ))
 ASSI { 4792}
   (  segid "    " and resid 76   and name HD1%)
   (( segid "    " and resid 75   and name HB1 ))
      6.000     4.500     0.000 peak  4792 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.889 ppm2      2.328 CV     1
 OR { 4792}
   (  segid "    " and resid 113  and name HG1%)
   (( segid "    " and resid 101  and name HB1 ))
 ASSI { 4793}
   (  segid "    " and resid 76   and name HD1%)
   (( segid "    " and resid 76   and name HG12))
      6.000     4.500     0.000 peak  4793 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.888 ppm2      2.107 CV     1
 OR { 4793}
   (  segid "    " and resid 76   and name HD1%)
   (( segid "    " and resid 76   and name HG11))
 OR { 4793}
   (  segid "    " and resid 76   and name HD1%)
   (( segid "    " and resid 28   and name HG12))
 OR { 4793}
   (  segid "    " and resid 76   and name HD1%)
   (( segid "    " and resid 28   and name HG11))
 ASSI { 4794}
   (  segid "    " and resid 113  and name HG1%)
   (( segid "    " and resid 113  and name HB  ))
      6.000     4.500     0.000 peak  4794 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.889 ppm2      1.893 CV     1
 OR { 4794}
   (  segid "    " and resid 76   and name HD1%)
   (( segid "    " and resid 76   and name HB  ))
 ASSI { 4795}
   (  segid "    " and resid 113  and name HG1%)
   (  segid "    " and resid 113  and name HG2%)
      6.000     4.500     0.000 peak  4795 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.888 ppm2      1.163 CV     1
 OR { 4795}
   (  segid "    " and resid 94   and name HD1%)
   (  segid "    " and resid 96   and name HD2%)
 OR { 4795}
   (  segid "    " and resid 94   and name HD2%)
   (  segid "    " and resid 96   and name HD2%)
 ASSI { 4798}
   (  segid "    " and resid 94   and name HD2%)
   (( segid "    " and resid 94   and name HB1 ))
      6.000     4.500     0.000 peak  4798 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.860 ppm2      1.543 CV     1
 OR { 4798}
   (  segid "    " and resid 94   and name HD1%)
   (( segid "    " and resid 94   and name HB2 ))
 OR { 4798}
   (  segid "    " and resid 94   and name HD1%)
   (  segid "    " and resid 21   and name HB% )
 OR { 4798}
   (  segid "    " and resid 94   and name HD2%)
   (( segid "    " and resid 94   and name HB2 ))
 OR { 4798}
   (  segid "    " and resid 94   and name HD1%)
   (( segid "    " and resid 94   and name HB1 ))
 ASSI { 4810}
   (  segid "    " and resid 57   and name HB% )
   (( segid "    " and resid 127  and name HB1 ))
      6.000     4.500     0.000 peak  4810 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.363 ppm2      2.706 CV     1
 OR { 4810}
   (  segid "    " and resid 57   and name HB% )
   (( segid "    " and resid 4    and name HB1 ))
 ASSI { 4811}
   (  segid "    " and resid 57   and name HB% )
   (( segid "    " and resid 124  and name HB1 ))
      6.000     4.500     0.000 peak  4811 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.361 ppm2      2.193 CV     1
 OR { 4811}
   (  segid "    " and resid 57   and name HB% )
   (( segid "    " and resid 99   and name HG2 ))
 OR { 4811}
   (  segid "    " and resid 57   and name HB% )
   (( segid "    " and resid 124  and name HB2 ))
 OR { 4811}
   (  segid "    " and resid 57   and name HB% )
   (( segid "    " and resid 143  and name HB2 ))
 ASSI { 4812}
   (  segid "    " and resid 57   and name HB% )
   (( segid "    " and resid 128  and name HB2 ))
      6.000     4.500     0.000 peak  4812 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.361 ppm2      2.062 CV     1
 OR { 4812}
   (  segid "    " and resid 57   and name HB% )
   (( segid "    " and resid 127  and name HG2 ))
 ASSI { 4815}
   (  segid "    " and resid 57   and name HB% )
   (( segid "    " and resid 5    and name HG11))
      6.000     4.500     0.000 peak  4815 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.359 ppm2      1.618 CV     1
 OR { 4815}
   (  segid "    " and resid 57   and name HB% )
   (( segid "    " and resid 5    and name HG12))
 OR { 4815}
   (  segid "    " and resid 57   and name HB% )
   (( segid "    " and resid 100  and name HG  ))
 OR { 4815}
   (  segid "    " and resid 57   and name HB% )
   (( segid "    " and resid 133  and name HB2 ))
 ASSI { 4818}
   (  segid "    " and resid 57   and name HB% )
   (  segid "    " and resid 58   and name HG1%)
      6.000     4.500     0.000 peak  4818 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.361 ppm2      1.005 CV     1
 OR { 4818}
   (  segid "    " and resid 57   and name HB% )
   (  segid "    " and resid 58   and name HG2%)
 OR { 4818}
   (  segid "    " and resid 57   and name HB% )
   (  segid "    " and resid 132  and name HB% )
 ASSI { 4825}
   (  segid "    " and resid 149  and name HG2%)
   (( segid "    " and resid 150  and name HD1 ))
      6.000     4.500     0.000 peak  4825 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.282 ppm2      3.129 CV     1
 OR { 4825}
   (  segid "    " and resid 59   and name HB% )
   (( segid "    " and resid 133  and name HD2 ))
 ASSI { 4831}
   (  segid "    " and resid 2    and name HG1%)
   (( segid "    " and resid 2    and name HA  ))
      6.000     4.500     0.000 peak  4831 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.772 ppm2      4.236 CV     1
 OR { 4831}
   (( segid "    " and resid 64   and name HG  ))
   (( segid "    " and resid 64   and name HA  ))
 ASSI { 4832}
   (  segid "    " and resid 2    and name HG1%)
   (( segid "    " and resid 102  and name HA2 ))
      6.000     4.500     0.000 peak  4832 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.773 ppm2      3.892 CV     1
 OR { 4832}
   (  segid "    " and resid 2    and name HG1%)
   (( segid "    " and resid 102  and name HA1 ))
 OR { 4832}
   (  segid "    " and resid 2    and name HG1%)
   (( segid "    " and resid 33   and name HA  ))
 OR { 4832}
   (  segid "    " and resid 2    and name HG1%)
   (( segid "    " and resid 128  and name HA  ))
 ASSI { 4834}
   (( segid "    " and resid 64   and name HG  ))
   (( segid "    " and resid 68   and name HG2 ))
      6.000     4.500     0.000 peak  4834 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.769 ppm2      2.410 CV     1
 OR { 4834}
   (( segid "    " and resid 64   and name HG  ))
   (( segid "    " and resid 29   and name HB2 ))
 OR { 4834}
   (( segid "    " and resid 64   and name HG  ))
   (( segid "    " and resid 68   and name HG1 ))
 OR { 4834}
   (( segid "    " and resid 64   and name HG  ))
   (( segid "    " and resid 30   and name HB1 ))
 ASSI { 4836}
   (( segid "    " and resid 64   and name HG  ))
   (( segid "    " and resid 30   and name HB2 ))
      6.000     4.500     0.000 peak  4836 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.769 ppm2      2.015 CV     1
 OR { 4836}
   (( segid "    " and resid 64   and name HG  ))
   (( segid "    " and resid 29   and name HG1 ))
 ASSI { 4837}
   (( segid "    " and resid 64   and name HG  ))
   (( segid "    " and resid 29   and name HG1 ))
      6.000     4.500     0.000 peak  4837 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.771 ppm2      1.967 CV     1
 OR { 4837}
   (  segid "    " and resid 2    and name HG1%)
   (( segid "    " and resid 61   and name HG2 ))
 OR { 4837}
   (( segid "    " and resid 64   and name HG  ))
   (( segid "    " and resid 67   and name HG1 ))
 ASSI { 4838}
   (  segid "    " and resid 2    and name HG1%)
   (( segid "    " and resid 2    and name HB  ))
      6.000     4.500     0.000 peak  4838 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.774 ppm2      1.761 CV     1
 OR { 4838}
   (( segid "    " and resid 64   and name HG  ))
   (( segid "    " and resid 64   and name HB2 ))
 ASSI { 4858}
   (( segid "    " and resid 54   and name HG  ))
   (( segid "    " and resid 158  and name HB2 ))
      6.000     4.500     0.000 peak  4858 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.236 ppm2      3.070 CV     1
 OR { 4858}
   (( segid "    " and resid 54   and name HG  ))
   (( segid "    " and resid 40   and name HB2 ))
 ASSI { 4859}
   (( segid "    " and resid 54   and name HG  ))
   (( segid "    " and resid 39   and name HB2 ))
      6.000     4.500     0.000 peak  4859 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.238 ppm2      2.767 CV     1
 OR { 4859}
   (( segid "    " and resid 54   and name HG  ))
   (( segid "    " and resid 158  and name HB1 ))
 ASSI { 4861}
   (( segid "    " and resid 54   and name HG  ))
   (( segid "    " and resid 7    and name HB  ))
      6.000     4.500     0.000 peak  4861 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.239 ppm2      1.464 CV     1
 OR { 4861}
   (( segid "    " and resid 54   and name HG  ))
   (( segid "    " and resid 14   and name HG1 ))
 OR { 4861}
   (( segid "    " and resid 54   and name HG  ))
   (( segid "    " and resid 155  and name HB1 ))
 OR { 4861}
   (( segid "    " and resid 54   and name HG  ))
   (( segid "    " and resid 155  and name HB2 ))
 ASSI { 4882}
   (  segid "    " and resid 59   and name HB% )
   (( segid "    " and resid 128  and name HA  ))
      6.000     4.500     0.000 peak  4882 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.272 ppm2      3.877 CV     1
 OR { 4882}
   (  segid "    " and resid 59   and name HB% )
   (( segid "    " and resid 130  and name HA  ))
 ASSI { 4914}
   (( segid "    " and resid 54   and name HG  ))
   (( segid "    " and resid 18   and name HB  ))
      6.000     4.500     0.000 peak  4914 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.238 ppm2      1.526 CV     1
 OR { 4914}
   (( segid "    " and resid 54   and name HG  ))
   (( segid "    " and resid 15   and name HG  ))
 ASSI { 4919}
   (  segid "    " and resid 147  and name HD2%)
   (( segid "    " and resid 152  and name HB2 ))
      6.000     4.500     0.000 peak  4919 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1     -0.569 ppm2      3.391 CV     1
 OR { 4919}
   (  segid "    " and resid 147  and name HD2%)
   (( segid "    " and resid 127  and name HD1 ))
 ASSI { 4920}
   (  segid "    " and resid 147  and name HD2%)
   (( segid "    " and resid 129  and name HB2 ))
      6.000     4.500     0.000 peak  4920 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1     -0.567 ppm2      3.185 CV     1
 OR { 4920}
   (  segid "    " and resid 147  and name HD2%)
   (( segid "    " and resid 148  and name HB2 ))
 ASSI { 4930}
   (  segid "    " and resid 6    and name HB% )
   (( segid "    " and resid 99   and name HG2 ))
      6.000     4.500     0.000 peak  4930 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.775 ppm2      2.197 CV     1
 OR { 4930}
   (  segid "    " and resid 6    and name HB% )
   (( segid "    " and resid 96   and name HB2 ))
 ASSI { 4936}
   (  segid "    " and resid 105  and name HG1%)
   (( segid "    " and resid 105  and name HB  ))
      6.000     4.500     0.000 peak  4936 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.040 ppm2      2.004 CV     1
 OR { 4936}
   (  segid "    " and resid 105  and name HG2%)
   (( segid "    " and resid 105  and name HB  ))
 OR { 4936}
   (  segid "    " and resid 105  and name HG2%)
   (( segid "    " and resid 138  and name HG2 ))
 ASSI { 4938}
   (  segid "    " and resid 105  and name HG2%)
   (( segid "    " and resid 138  and name HD2 ))
      6.000     4.500     0.000 peak  4938 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.031 ppm2      4.031 CV     1
 OR { 4938}
   (  segid "    " and resid 105  and name HG2%)
   (( segid "    " and resid 138  and name HD1 ))
 OR { 4938}
   (  segid "    " and resid 105  and name HG1%)
   (( segid "    " and resid 138  and name HD2 ))
 OR { 4938}
   (  segid "    " and resid 105  and name HG1%)
   (( segid "    " and resid 138  and name HD1 ))
 OR { 4938}
   (  segid "    " and resid 136  and name HG2%)
   (( segid "    " and resid 138  and name HD2 ))
 ASSI { 4950}
   (( segid "    " and resid 155  and name HG  ))
   (( segid "    " and resid 127  and name HD1 ))
      6.000     4.500     0.000 peak  4950 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.785 ppm2      3.375 CV     1
 OR { 4950}
   (( segid "    " and resid 155  and name HG  ))
   (( segid "    " and resid 123  and name HB2 ))
 ASSI { 4951}
   (( segid "    " and resid 155  and name HG  ))
   (( segid "    " and resid 123  and name HB2 ))
      6.000     4.500     0.000 peak  4951 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.787 ppm2      3.333 CV     1
 OR { 4951}
   (( segid "    " and resid 155  and name HG  ))
   (( segid "    " and resid 55   and name HB1 ))
 ASSI { 4954}
   (( segid "    " and resid 155  and name HG  ))
   (( segid "    " and resid 126  and name HB2 ))
      6.000     4.500     0.000 peak  4954 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.787 ppm2      2.976 CV     1
 OR { 4954}
   (( segid "    " and resid 155  and name HG  ))
   (( segid "    " and resid 154  and name HA  ))
 ASSI { 4977}
   (  segid "    " and resid 3    and name HB% )
   (( segid "    " and resid 101  and name HB2 ))
      6.000     4.500     0.000 peak  4977 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.232 ppm2      3.350 CV     1
 OR { 4977}
   (  segid "    " and resid 3    and name HB% )
   (( segid "    " and resid 66   and name HA  ))
 ASSI { 4980}
   (  segid "    " and resid 3    and name HB% )
   (( segid "    " and resid 1    and name HG21))
      6.000     4.500     0.000 peak  4980 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.229 ppm2      0.562 CV     1
 OR { 4980}
   (  segid "    " and resid 3    and name HB% )
   (  segid "    " and resid 128  and name HD1%)
 OR { 4980}
   (  segid "    " and resid 3    and name HB% )
   (( segid "    " and resid 66   and name HB1 ))
 OR { 4980}
   (  segid "    " and resid 3    and name HB% )
   (  segid "    " and resid 128  and name HD2%)
 ASSI { 4995}
   (  segid "    " and resid 18   and name HG2%)
   (( segid "    " and resid 18   and name HA  ))
      6.000     4.500     0.000 peak  4995 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.238 ppm2      3.429 CV     1
 OR { 4995}
   (  segid "    " and resid 18   and name HG2%)
   (( segid "    " and resid 15   and name HA  ))
 ASSI { 4997}
   (  segid "    " and resid 18   and name HG2%)
   (( segid "    " and resid 14   and name HB1 ))
      6.000     4.500     0.000 peak  4997 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.238 ppm2      1.896 CV     1
 OR { 4997}
   (  segid "    " and resid 18   and name HG2%)
   (( segid "    " and resid 22   and name HG  ))
 ASSI { 5000}
   (  segid "    " and resid 18   and name HG2%)
   (( segid "    " and resid 14   and name HB2 ))
      6.000     4.500     0.000 peak  5000 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.238 ppm2      1.136 CV     1
 OR { 5000}
   (  segid "    " and resid 18   and name HG2%)
   (  segid "    " and resid 22   and name HD1%)
 OR { 5000}
   (  segid "    " and resid 18   and name HG2%)
   (  segid "    " and resid 36   and name HG1%)
 ASSI { 5010}
   (  segid "    " and resid 2    and name HG2%)
   (  segid "    " and resid 59   and name HB% )
      6.000     4.500     0.000 peak  5010 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.133 ppm2      1.252 CV     1
 OR { 5010}
   (  segid "    " and resid 2    and name HG2%)
   (  segid "    " and resid 3    and name HB% )
 ASSI { 5028}
   (  segid "    " and resid 86   and name HB% )
   (( segid "    " and resid 87   and name HB2 ))
      6.000     4.500     0.000 peak  5028 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.450 ppm2      2.033 CV     1
 OR { 5028}
   (  segid "    " and resid 86   and name HB% )
   (( segid "    " and resid 47   and name HG1 ))
 OR { 5028}
   (  segid "    " and resid 86   and name HB% )
   (( segid "    " and resid 87   and name HB1 ))
 ASSI { 5034}
   (  segid "    " and resid 21   and name HB% )
   (( segid "    " and resid 80   and name HB2 ))
      6.000     4.500     0.000 peak  5034 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.586 ppm2      2.909 CV     1
 OR { 5034}
   (  segid "    " and resid 24   and name HB% )
   (( segid "    " and resid 80   and name HB2 ))
 ASSI { 5035}
   (  segid "    " and resid 24   and name HB% )
   (( segid "    " and resid 27   and name HB1 ))
      6.000     4.500     0.000 peak  5035 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.577 ppm2      2.576 CV     1
 OR { 5035}
   (  segid "    " and resid 24   and name HB% )
   (( segid "    " and resid 79   and name HG2 ))
 OR { 5035}
   (  segid "    " and resid 21   and name HB% )
   (( segid "    " and resid 77   and name HB1 ))
 ASSI { 5038}
   (  segid "    " and resid 21   and name HB% )
   (( segid "    " and resid 22   and name HA  ))
      6.000     4.500     0.000 peak  5038 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.569 ppm2      3.983 CV     1
 OR { 5038}
   (  segid "    " and resid 21   and name HB% )
   (( segid "    " and resid 17   and name HA  ))
 ASSI { 5042}
   (  segid "    " and resid 21   and name HB% )
   (  segid "    " and resid 94   and name HD1%)
      6.000     4.500     0.000 peak  5042 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.567 ppm2      0.849 CV     1
 OR { 5042}
   (  segid "    " and resid 21   and name HB% )
   (  segid "    " and resid 94   and name HD2%)
 OR { 5042}
   (  segid "    " and resid 21   and name HB% )
   (  segid "    " and resid 76   and name HG2%)
 ASSI { 5052}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 22   and name HG  ))
      6.000     4.500     0.000 peak  5052 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.785 ppm2      1.947 CV     1
 OR { 5052}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 77   and name HG1 ))
 ASSI { 5076}
   (  segid "    " and resid 132  and name HB% )
   (( segid "    " and resid 135  and name HA  ))
      6.000     4.500     0.000 peak  5076 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.017 ppm2      3.857 CV     1
 OR { 5076}
   (  segid "    " and resid 132  and name HB% )
   (( segid "    " and resid 128  and name HA  ))
 OR { 5076}
   (  segid "    " and resid 132  and name HB% )
   (( segid "    " and resid 129  and name HA  ))
 ASSI { 5078}
   (  segid "    " and resid 132  and name HB% )
   (( segid "    " and resid 134  and name HG2 ))
      6.000     4.500     0.000 peak  5078 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.018 ppm2      2.143 CV     1
 OR { 5078}
   (  segid "    " and resid 132  and name HB% )
   (( segid "    " and resid 131  and name HB  ))
 ASSI { 5081}
   (  segid "    " and resid 15   and name HD1%)
   (( segid "    " and resid 15   and name HB2 ))
      6.000     4.500     0.000 peak  5081 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.017 ppm2      1.289 CV     1
 OR { 5081}
   (  segid "    " and resid 132  and name HB% )
   (  segid "    " and resid 59   and name HB% )
 OR { 5081}
   (  segid "    " and resid 15   and name HD2%)
   (( segid "    " and resid 15   and name HB2 ))
 ASSI { 5084}
   (  segid "    " and resid 15   and name HD1%)
   (( segid "    " and resid 54   and name HB1 ))
      6.000     4.500     0.000 peak  5084 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.018 ppm2      0.361 CV     1
 OR { 5084}
   (  segid "    " and resid 132  and name HB% )
   (  segid "    " and resid 135  and name HD1%)
 ASSI { 5085}
   (  segid "    " and resid 132  and name HB% )
   (  segid "    " and resid 2    and name HG2%)
      6.000     4.500     0.000 peak  5085 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.019 ppm2      0.136 CV     1
 OR { 5085}
   (  segid "    " and resid 132  and name HB% )
   (  segid "    " and resid 135  and name HD2%)
 ASSI { 5086}
   (  segid "    " and resid 15   and name HD1%)
   (( segid "    " and resid 15   and name HA  ))
      6.000     4.500     0.000 peak  5086 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.014 ppm2      3.431 CV     1
 OR { 5086}
   (  segid "    " and resid 15   and name HD2%)
   (( segid "    " and resid 15   and name HA  ))
 OR { 5086}
   (  segid "    " and resid 132  and name HB% )
   (( segid "    " and resid 133  and name HD1 ))
 ASSI { 5088}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 8    and name HA2 ))
      6.000     4.500     0.000 peak  5088 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.782 ppm2      4.154 CV     1
 OR { 5088}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 21   and name HA  ))
 ASSI { 5095}
   (  segid "    " and resid 62   and name HG2%)
   (( segid "    " and resid 2    and name HA  ))
      6.000     4.500     0.000 peak  5095 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.113 ppm2      4.226 CV     1
 OR { 5095}
   (  segid "    " and resid 62   and name HG2%)
   (( segid "    " and resid 69   and name HA  ))
 OR { 5095}
   (  segid "    " and resid 62   and name HG2%)
   (( segid "    " and resid 64   and name HA  ))
 ASSI { 5106}
   (  segid "    " and resid 62   and name HG2%)
   (  segid "    " and resid 60   and name HD1%)
      6.000     4.500     0.000 peak  5106 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.113 ppm2      0.746 CV     1
 OR { 5106}
   (  segid "    " and resid 62   and name HG2%)
   (( segid "    " and resid 64   and name HG  ))
 ASSI { 5117}
   (  segid "    " and resid 131  and name HG2%)
   (( segid "    " and resid 37   and name HA  ))
      6.000     4.500     0.000 peak  5117 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.845 ppm2      4.266 CV     1
 OR { 5117}
   (  segid "    " and resid 76   and name HG2%)
   (( segid "    " and resid 74   and name HA  ))
 ASSI { 5119}
   (  segid "    " and resid 131  and name HG2%)
   (( segid "    " and resid 130  and name HB1 ))
      6.000     4.500     0.000 peak  5119 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.841 ppm2      2.651 CV     1
 OR { 5119}
   (  segid "    " and resid 76   and name HG2%)
   (( segid "    " and resid 79   and name HG1 ))
 OR { 5119}
   (  segid "    " and resid 5    and name HG2%)
   (( segid "    " and resid 99   and name HG1 ))
 OR { 5119}
   (  segid "    " and resid 131  and name HG2%)
   (( segid "    " and resid 4    and name HB1 ))
 ASSI { 5139}
   (  segid "    " and resid 76   and name HG2%)
   (( segid "    " and resid 80   and name HB2 ))
      6.000     4.500     0.000 peak  5139 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.835 ppm2      2.878 CV     1
 OR { 5139}
   (  segid "    " and resid 76   and name HG2%)
   (( segid "    " and resid 77   and name HG2 ))
 ASSI { 5141}
   (  segid "    " and resid 76   and name HG2%)
   (( segid "    " and resid 79   and name HB2 ))
      6.000     4.500     0.000 peak  5141 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.839 ppm2      2.277 CV     1
 OR { 5141}
   (  segid "    " and resid 76   and name HG2%)
   (( segid "    " and resid 80   and name HG2 ))
 ASSI { 5142}
   (  segid "    " and resid 131  and name HG2%)
   (( segid "    " and resid 131  and name HB  ))
      6.000     4.500     0.000 peak  5142 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.841 ppm2      2.134 CV     1
 OR { 5142}
   (  segid "    " and resid 76   and name HG2%)
   (( segid "    " and resid 76   and name HG11))
 OR { 5142}
   (  segid "    " and resid 76   and name HG2%)
   (( segid "    " and resid 76   and name HG12))
 ASSI { 5144}
   (  segid "    " and resid 146  and name HG2%)
   (( segid "    " and resid 143  and name HA  ))
      6.000     4.500     0.000 peak  5144 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.758 ppm2      4.100 CV     1
 OR { 5144}
   (  segid "    " and resid 11   and name HD1%)
   (( segid "    " and resid 93   and name HB  ))
 OR { 5144}
   (  segid "    " and resid 146  and name HG2%)
   (( segid "    " and resid 151  and name HA  ))
 ASSI { 5159}
   (  segid "    " and resid 20   and name HB% )
   (  segid "    " and resid 24   and name HB% )
      6.000     4.500     0.000 peak  5159 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.456 ppm2      1.598 CV     1
 OR { 5159}
   (  segid "    " and resid 20   and name HB% )
   (  segid "    " and resid 21   and name HB% )
 ASSI { 5160}
   (  segid "    " and resid 5    and name HG2%)
   (( segid "    " and resid 5    and name HB  ))
      6.000     4.500     0.000 peak  5160 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.862 ppm2      1.787 CV     1
 OR { 5160}
   (  segid "    " and resid 5    and name HG2%)
   (  segid "    " and resid 6    and name HB% )
 ASSI { 5162}
   (  segid "    " and resid 33   and name HG2%)
   (( segid "    " and resid 58   and name HB  ))
      6.000     4.500     0.000 peak  5162 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.782 ppm2      1.972 CV     1
 OR { 5162}
   (  segid "    " and resid 33   and name HG2%)
   (( segid "    " and resid 36   and name HB  ))
 ASSI { 5171}
   (  segid "    " and resid 20   and name HB% )
   (( segid "    " and resid 19   and name HB2 ))
      6.000     4.500     0.000 peak  5171 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.454 ppm2      2.866 CV     1
 OR { 5171}
   (  segid "    " and resid 20   and name HB% )
   (( segid "    " and resid 80   and name HB2 ))
 ASSI { 5180}
   (  segid "    " and resid 28   and name HG2%)
   (( segid "    " and resid 28   and name HG11))
      6.000     4.500     0.000 peak  5180 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.605 ppm2      2.074 CV     1
 OR { 5180}
   (  segid "    " and resid 28   and name HG2%)
   (( segid "    " and resid 29   and name HG2 ))
 OR { 5180}
   (  segid "    " and resid 28   and name HG2%)
   (( segid "    " and resid 28   and name HG12))
 ASSI { 5207}
   (  segid "    " and resid 28   and name HD1%)
   (( segid "    " and resid 31   and name HB2 ))
      6.000     4.500     0.000 peak  5207 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.821 ppm2      3.624 CV     1
 OR { 5207}
   (  segid "    " and resid 28   and name HD1%)
   (( segid "    " and resid 31   and name HB1 ))
 OR { 5207}
   (  segid "    " and resid 28   and name HD1%)
   (( segid "    " and resid 76   and name HA  ))
 ASSI { 5231}
   (  segid "    " and resid 33   and name HD1%)
   (( segid "    " and resid 58   and name HB  ))
      6.000     4.500     0.000 peak  5231 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.911 ppm2      1.981 CV     1
 OR { 5231}
   (  segid "    " and resid 33   and name HD1%)
   (( segid "    " and resid 25   and name HG  ))
 ASSI { 5234}
   (  segid "    " and resid 98   and name HG2%)
   (( segid "    " and resid 99   and name HA  ))
      6.000     4.500     0.000 peak  5234 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.813 ppm2      4.604 CV     1
 OR { 5234}
   (  segid "    " and resid 98   and name HG2%)
   (( segid "    " and resid 101  and name HA  ))
 OR { 5234}
   (  segid "    " and resid 98   and name HG2%)
   (( segid "    " and resid 70   and name HA  ))
 ASSI { 5235}
   (  segid "    " and resid 98   and name HG2%)
   (( segid "    " and resid 98   and name HA  ))
      6.000     4.500     0.000 peak  5235 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.814 ppm2      4.202 CV     1
 OR { 5235}
   (  segid "    " and resid 98   and name HG2%)
   (( segid "    " and resid 114  and name HD1 ))
 ASSI { 5238}
   (  segid "    " and resid 98   and name HG2%)
   (( segid "    " and resid 69   and name HG  ))
      6.000     4.500     0.000 peak  5238 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.813 ppm2      1.628 CV     1
 OR { 5238}
   (  segid "    " and resid 98   and name HG2%)
   (( segid "    " and resid 100  and name HG  ))
 ASSI { 5242}
   (( segid "    " and resid 30   and name HB2 ))
   (( segid "    " and resid 30   and name HA  ))
      6.000     4.500     0.000 peak  5242 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.000 ppm2      3.922 CV     1
 OR { 5242}
   (( segid "    " and resid 25   and name HG  ))
   (( segid "    " and resid 25   and name HA  ))
!remark phi angle constraints

  !!    v2
 assign (resid  1  and name c ) (resid  2  and name n ) 
        (resid  2  and name ca) (resid  2  and name c )   1.0  -97.0 30.0 2
  !!    3
 assign (resid  2  and name c ) (resid  3  and name n ) 
        (resid  3  and name ca) (resid  3  and name c )   1.0  -107.4 40.0 2
  !!    4
 assign (resid  3  and name c ) (resid  4  and name n ) 
        (resid  4  and name ca) (resid  4  and name c )   1.0  -113.0 35.0 2
  !!    5
 assign (resid  4  and name c ) (resid  5  and name n ) 
        (resid  5  and name ca) (resid  5  and name c )   1.0  -121.0 35.0 2
  !!    6
 assign (resid  5  and name c ) (resid  6  and name n ) 
        (resid  6  and name ca) (resid  6  and name c )   1.0  -109.0 35.0 2
  !!    7
 assign (resid  6  and name c ) (resid  7  and name n ) 
        (resid  7  and name ca) (resid  7  and name c )  1.0 -122.0 40.0 2
   !!    15
 assign (resid 14 and name c ) (resid 15 and name n ) 
        (resid 15 and name ca) (resid 15 and name c )   1.0  -65.0 20.0 2  
 !!    16
 assign (resid 15 and name c ) (resid 16 and name n ) 
        (resid 16 and name ca) (resid 16 and name c )   1.0  -63.0 20.0 2
  !!    17
 assign (resid 16 and name c ) (resid 17 and name n ) 
        (resid 17 and name ca) (resid 17 and name c )   1.0  -69.0 20.0 2
  !!    18
 assign (resid 17 and name c ) (resid 18 and name n ) 
        (resid 18 and name ca) (resid 18 and name c )   1.0  -70.0 20.0 2
  !!    19
 assign (resid 18 and name c ) (resid 19 and name n ) 
        (resid 19 and name ca) (resid 19 and name c )   1.0  -65.0 20.0 2
  !!    20
 assign (resid 19 and name c ) (resid 20 and name n ) 
        (resid 20 and name ca) (resid 20 and name c )   1.0  -67.0 20.0 2
  !!    21
 assign (resid 20 and name c ) (resid 21 and name n ) 
        (resid 21 and name ca) (resid 21 and name c )   1.0  -66.0 20.0 2
  !!    22
 assign (resid 21 and name c ) (resid 22 and name n ) 
        (resid 22 and name ca) (resid 22 and name c )   1.0  -64.0 20.0 2
  !!    23
 assign (resid 22 and name c ) (resid 23 and name n ) 
        (resid 23 and name ca) (resid 23 and name c )   1.0  -66.0 20.0 2
  !!    24
 assign (resid 23 and name c ) (resid 24 and name n ) 
        (resid 24 and name ca) (resid 24 and name c )   1.0  -64.0 20.0 2
  !!    25
 assign (resid 24 and name c ) (resid 25 and name n ) 
        (resid 25 and name ca) (resid 25 and name c )   1.0  -65.0 20.0 2
  !!    27
!!   assign (resid 26 and name c ) (resid 27 and name n ) 
!!        (resid 27 and name ca) (resid 27 and name c )   1.0  -95.0 35.0 2
  !!    28
!!  assign (resid 27 and name c ) (resid 28 and name n ) 
!!        (resid 28 and name ca) (resid 28 and name c )  1.0 -80.0 35.0 2
  !!    32
 assign (resid 31 and name c ) (resid 32 and name n ) 
        (resid 32 and name ca) (resid 32 and name c )  1.0 -128.0 40.0 2
  !!    33
 assign (resid 32 and name c ) (resid 33 and name n ) 
        (resid 33 and name ca) (resid 33 and name c )  1.0 -72.0 40.0 2
  !!    36
 assign (resid 35 and name c ) (resid 36 and name n ) 
        (resid 36 and name ca) (resid 36 and name c )  1.0 -123.0 40.0 2
  !!    40
 assign (resid 39 and name c ) (resid 40 and name n ) 
        (resid 40 and name ca) (resid 40 and name c )  1.0 -114.0 50.0 2  
!!    41
 assign (resid 40 and name c ) (resid 41 and name n ) 
        (resid 41 and name ca) (resid 41 and name c )  1.0 -120.0 35.0 2
  !!    42
 assign (resid 41 and name c ) (resid 42 and name n ) 
        (resid 42 and name ca) (resid 42 and name c )  1.0 -116.0 50.0 2
  !!    55
 assign (resid 54 and name c ) (resid 55 and name n ) 
        (resid 55 and name ca) (resid 55 and name c )   1.0  -140.0 35.0 2
   !!    56
 assign (resid 55 and name c ) (resid 56 and name n ) 
        (resid 56 and name ca) (resid 56 and name c )   1.0  -145.0 40.0 2
  !!    57
 assign (resid 56 and name c ) (resid 57 and name n ) 
        (resid 57 and name ca) (resid 57 and name c )   1.0  -108.0 40.0 2
  !!    59
 assign (resid 58 and name c ) (resid 59 and name n ) 
        (resid 59 and name ca) (resid 59 and name c )   1.0  -110.0 30.0 2
  !!    60
 assign (resid 59 and name c ) (resid 60 and name n ) 
        (resid 60 and name ca) (resid 60 and name c )   1.0  -112.0 40.0 2
  !!    61
 assign (resid 60 and name c ) (resid 61 and name n ) 
        (resid 61 and name ca) (resid 61 and name c )   1.0  -106.0 30.0 2
  !!    62
 assign (resid 61 and name c ) (resid 62 and name n ) 
        (resid 62 and name ca) (resid 62 and name c )   1.0  -110.0 30.0 2
   !!    64
 assign (resid 63 and name c ) (resid 64 and name n ) 
        (resid 64 and name ca) (resid 64 and name c )   1.0 -85.0 30.0 2
  !!    66
 assign (resid 65 and name c ) (resid 66 and name n ) 
        (resid 66 and name ca) (resid 66 and name c )   1.0 -65.0 20.0 2
  !!    68
 assign (resid 67 and name c ) (resid 68 and name n ) 
        (resid 68 and name ca) (resid 68 and name c )   1.0 -65.0 20.0 2
  !!    69
 assign (resid 68 and name c ) (resid 69 and name n ) 
        (resid 69 and name ca) (resid 69 and name c )   1.0  -67.0 20.0 2
  !!    70
 assign (resid 69 and name c ) (resid 70 and name n ) 
        (resid 70 and name ca) (resid 70 and name c )   1.0 -65.0 20.0 2
  !!    71
 assign (resid 70 and name c ) (resid 71 and name n ) 
        (resid 71 and name ca) (resid 71 and name c )   1.0  -65.0 20.0 2
  !!    72
 assign (resid 71 and name c ) (resid 72 and name n ) 
        (resid 72 and name ca) (resid 72 and name c )   1.0  -65.0 20.0 2
  !!    73
 assign (resid 72 and name c ) (resid 73 and name n ) 
        (resid 73 and name ca) (resid 73 and name c )  1.0 -67.0 20.0 2
  !!    74
 assign (resid 73 and name c ) (resid 74 and name n )
        (resid 74 and name ca) (resid 74 and name c )  1.0 -67.0 20.0 2
   !!    76
 assign (resid 75 and name c ) (resid 76 and name n ) 
        (resid 76 and name ca) (resid 76 and name c )   1.0 -66.0 20.0 2
  !!    77
 assign (resid 76 and name c ) (resid 77 and name n ) 
        (resid 77 and name ca) (resid 77 and name c )   1.0  -63.0 20.0 2
  !!    78
 assign (resid 77 and name c ) (resid 78 and name n ) 
        (resid 78 and name ca) (resid 78 and name c )   1.0  -66.0 20.0 2
  !!    79
 assign (resid 78 and name c ) (resid 79 and name n ) 
        (resid 79 and name ca) (resid 79 and name c )   1.0  -67.0 20.0 2
   !!    80
 assign (resid 79 and name c ) (resid 80 and name n ) 
        (resid 80 and name ca) (resid 80 and name c )   1.0 -91.0 30.0 2
  !!    82
 assign (resid 81 and name c ) (resid 82 and name n ) 
        (resid 82 and name ca) (resid 82 and name c )   1.0  -101.0 45.0 2 
  !!    83
 assign (resid 82 and name c ) (resid 83 and name n ) 
        (resid 83 and name ca) (resid 83 and name c )   1.0 -111.0 35.0 2
   !!    86
 assign (resid 85 and name c ) (resid 86 and name n ) 
        (resid 86 and name ca) (resid 86 and name c )   1.0  -82.0 60.0 2
   !!    87
 assign (resid 86 and name c ) (resid 87 and name n ) 
        (resid 87 and name ca) (resid 87 and name c )   1.0  -82.0 40.0 2
   !!    88
 assign (resid 87 and name c ) (resid 88 and name n ) 
        (resid 88 and name ca) (resid 88 and name c )   1.0  -73.0 30.0 2
  !!    89
 assign (resid 88 and name c ) (resid 89 and name n )
        (resid 89 and name ca) (resid 89 and name c )   1.0 -85.0 35.0 2
    !!    95
 assign (resid 94 and name c ) (resid 95 and name n ) 
        (resid 95 and name ca) (resid 95 and name c )   1.0 -118.0 50.0 2
  !!    96
 assign (resid 95 and name c ) (resid 96 and name n ) 
        (resid 96 and name ca) (resid 96 and name c )   1.0  -113.0 20.0 2
  !!    97
 assign (resid 96 and name c ) (resid 97 and name n ) 
        (resid 97 and name ca) (resid 97 and name c )   1.0 -105.0 40.0 2
   !!    99
 assign (resid 98 and name c ) (resid 99 and name n ) 
        (resid 99 and name ca) (resid 99 and name c )   1.0 -83.0 45.0 2
   !!    101
 assign (resid 100 and name c ) (resid 101 and name n ) 
        (resid 101 and name ca) (resid 101 and name c )   1.0  -108.0 45.0 2
  !!    104
 assign (resid 103 and name c ) (resid 104 and name n ) 
        (resid 104 and name ca) (resid 104 and name c )   1.0  -108.0 60.0 2
!!    105
 assign (resid 104 and name c ) (resid 105 and name n ) 
        (resid 105 and name ca) (resid 105 and name c )   1.0  -117.0 40.0 2
  !!    106
 assign (resid 105  and name c ) (resid  106  and name n ) 
        (resid 106  and name ca) (resid  106  and name c )   1.0  -124.0 40.0 2
  !!    107
 assign (resid  106  and name c ) (resid 107  and name n ) 
        (resid  107  and name ca) (resid  107  and name c )  1.0 -96.0 30.0 2
  !!    110
 assign (resid  109  and name c ) (resid 110 and name n ) 
        (resid  110 and name ca) (resid 110 and name c )   1.0  -85.0 40.0 2
  !!    112
 assign (resid 111 and name c ) (resid 112 and name n ) 
        (resid 112 and name ca) (resid 112 and name c )   1.0  -96.0 45.0 2
  !!    113
 assign (resid 112 and name c ) (resid 113 and name n ) 
        (resid 113 and name ca) (resid 113 and name c )   1.0  -128.0 40.0 2
  !!    114
!!  assign (resid 113 and name c ) (resid 114 and name n ) 
!!        (resid 114 and name ca) (resid 114 and name c )   1.0  -108.0 65.0 2
!!    115
 assign (resid 114 and name c ) (resid 115 and name n ) 
        (resid 115 and name ca) (resid 115 and name c )   1.0  -72.0 30.0 2
  !!    116
 assign (resid 115 and name c ) (resid 116 and name n ) 
        (resid 116 and name ca) (resid 116 and name c )   1.0  -78.0 45.0 2
  !!    118
 assign (resid 117 and name c ) (resid 118 and name n ) 
        (resid 118 and name ca) (resid 118 and name c )   1.0  -66.0 20.0 2
  !!    119
 assign (resid 118 and name c ) (resid 119 and name n ) 
        (resid 119 and name ca) (resid 119 and name c )   1.0  -77.0 35.0 2
  !!    124
 assign (resid 123 and name c ) (resid 124 and name n ) 
        (resid 124 and name ca) (resid 124 and name c )   1.0  -67.0 20.0 2
  !!    125
 assign (resid 124 and name c ) (resid 125 and name n ) 
        (resid 125 and name ca) (resid 125 and name c )   1.0  -62.0 20.0 2
  !!    126
 assign (resid 125 and name c ) (resid 126 and name n ) 
        (resid 126 and name ca) (resid 126 and name c )   1.0  -68.0 20.0 2
  !!    127
 assign (resid 126 and name c ) (resid 127 and name n ) 
        (resid 127 and name ca) (resid 127 and name c )   1.0  -65.0 30.0 2
  !!    128
 assign (resid 127 and name c ) (resid 128 and name n ) 
        (resid 128 and name ca) (resid 128 and name c )  1.0 -67.0 20.0 2
  !!    129
 assign (resid 128 and name c ) (resid 129 and name n ) 
        (resid 129 and name ca) (resid 129 and name c )  1.0 -65.0 20.0 2
  !!    130
 assign (resid 129 and name c ) (resid 130 and name n ) 
        (resid 130 and name ca) (resid 130 and name c )  1.0 -73.0 30.0 2
  !!    131
 assign (resid 130 and name c ) (resid 131 and name n ) 
        (resid 131 and name ca) (resid 131 and name c )  1.0 -107.0 35.0 2
  !!    133
 assign (resid 132 and name c ) (resid 133 and name n ) 
        (resid 133 and name ca) (resid 133 and name c )  1.0 -71.0 30.0 2
  !!    136
 assign (resid 135 and name c ) (resid 136 and name n ) 
        (resid 136 and name ca) (resid 136 and name c )  1.0 -110.0 30.0 2
 !!    137
 assign (resid 136 and name c ) (resid 137 and name n ) 
        (resid 137 and name ca) (resid 137 and name c )  1.0 -86.0 50.0 2
 !!    138
 assign (resid 137 and name c ) (resid 138 and name n ) 
        (resid 138 and name ca) (resid 138 and name c )  1.0 -68.0 30.0 2
  !!    143
 assign (resid 142 and name c ) (resid 143 and name n ) 
        (resid 143 and name ca) (resid 143 and name c )  1.0 -61.0 20.0 2
  !!    144
 assign (resid 143 and name c ) (resid 144 and name n ) 
        (resid 144 and name ca) (resid 144 and name c )  1.0 -63.0 20.0 2
  !!    145
 assign (resid 144 and name c ) (resid 145 and name n ) 
        (resid 145 and name ca) (resid 145 and name c )  1.0 -66.0 20.0 2
  !!    146
 assign (resid 145 and name c ) (resid 146 and name n ) 
        (resid 146 and name ca) (resid 146 and name c )  1.0 -68.0 20.0 2
  !!    147
 assign (resid 146 and name c ) (resid 147 and name n ) 
        (resid 147 and name ca) (resid 147 and name c )  1.0 -67.0 20.0 2
  !!    148
 assign (resid 147 and name c ) (resid 148 and name n ) 
        (resid 148 and name ca) (resid 148 and name c )   1.0  -65.0 20.0 2
  !!    150
 assign (resid 149 and name c ) (resid 150 and name n ) 
        (resid 150 and name ca) (resid 150 and name c )   1.0  -78.0 40.0 2
   !!    156
 assign (resid 155 and name c ) (resid 156 and name n ) 
        (resid 156 and name ca) (resid 156 and name c )   1.0  -108.0 50.0 2
   !!    157
 assign (resid 156 and name c ) (resid 157 and name n ) 
        (resid 157 and name ca) (resid 157 and name c )   1.0  -83.0 50.0 2


!remark psi angles constraints

  !!    2
 assign (resid 2 and name n ) (resid 2 and name ca) 
        (resid 2 and name c ) (resid 3 and name n )   1.0  124.0 20.0 2
  !!    3
 assign (resid 3 and name n ) (resid 3 and name ca) 
        (resid 3 and name c ) (resid 4 and name n )   1.0  140.0 40.0 2
  !!    4
 assign (resid 3 and name n ) (resid 3 and name ca) 
        (resid 3 and name c ) (resid 4 and name n )   1.0  134.0 35.0 2
  !!    5
 assign (resid 5 and name n ) (resid 5 and name ca) 
        (resid 5 and name c ) (resid 6 and name n )   1.0  133.0 35.0 2
  !!    6
 assign (resid 6 and name n ) (resid 6 and name ca) 
        (resid 6 and name c ) (resid 7 and name n )   1.0  130.0 25.0 2
  !!    7
 assign (resid 7 and name n ) (resid 7 and name ca) 
        (resid 7 and name c ) (resid 8 and name n )   1.0  134.0 30.0 2
  !!    15
 assign (resid 15 and name n ) (resid 15 and name ca) 
        (resid 15 and name c ) (resid 16 and name n )   1.0  -41.0 20.0 2    
!!    16
 assign (resid 16 and name n ) (resid 16 and name ca) 
        (resid 16 and name c ) (resid 17 and name n )   1.0  -40.0 20.0 2  
!!    17
 assign (resid 17 and name n ) (resid 17 and name ca) 
        (resid 17 and name c ) (resid 18 and name n )   1.0  -41.0 20.0 2
  !!    18
 assign (resid 18 and name n ) (resid 18 and name ca) 
        (resid 18 and name c ) (resid 19 and name n )   1.0  -41.0 20.0 2
  !!    19
 assign (resid 19 and name n ) (resid 19 and name ca) 
        (resid 19 and name c ) (resid 20 and name n )   1.0  -37.0 20.0 2
  !!    20
 assign (resid 20 and name n ) (resid 20 and name ca) 
        (resid 20 and name c ) (resid 21 and name n )   1.0  -40.0 20.0 2
  !!    21
 assign (resid 21 and name n ) (resid 21 and name ca) 
        (resid 21 and name c ) (resid 22 and name n )   1.0  -41.0 20.0 2
  !!    22
 assign (resid 22 and name n ) (resid 22 and name ca) 
        (resid 22 and name c ) (resid 23 and name n )   1.0  -37.0 20.0 2
  !!    23
 assign (resid 23 and name n ) (resid 23 and name ca) 
        (resid 23 and name c ) (resid 24 and name n )   1.0  -41.0 25.0 2
!!    24
 assign (resid 24 and name n ) (resid 24 and name ca) 
        (resid 24 and name c ) (resid 25 and name n )   1.0  -36.0 20.0 2
!!    25
 assign (resid 25 and name n ) (resid 25 and name ca) 
        (resid 25 and name c ) (resid 26 and name n )   1.0  -36.0 20.0 2  
  !!    27
!!  assign (resid 27 and name n ) (resid 27 and name ca) 
!!        (resid 27 and name c ) (resid 28 and name n )   1.0  136.0 30.0 2
  !!    28
 assign (resid 28 and name n ) (resid 28 and name ca) 
        (resid 28 and name c ) (resid 29 and name n )  1.0 130.0 30.0 2
 !!    32
 assign (resid 32 and name n ) (resid 32 and name ca) 
        (resid 32 and name c ) (resid 33 and name n )  1.0 135.0 40.0 2
  !!    33
 assign (resid 33 and name n ) (resid 33 and name ca) 
        (resid 33 and name c ) (resid 34 and name n )  1.0 129.0 20.0 2
   !!   36
 assign (resid 36 and name n ) (resid 36 and name ca) 
        (resid 36 and name c ) (resid 37 and name n )  1.0 134.0 30.0 2  
!!   40
 assign (resid 40 and name n ) (resid 40 and name ca) 
        (resid 40 and name c ) (resid 41 and name n )  1.0 127.5 25.0 2
!!   41
 assign (resid 41 and name n ) (resid 41 and name ca) 
        (resid 41 and name c ) (resid 42 and name n )  1.0 136.0 30.0 2
  !!    42
 assign (resid 42 and name n ) (resid 42 and name ca) 
        (resid 42 and name c ) (resid 43 and name n )  1.0 137.0 55.0 2
    !!    55
 assign (resid 55 and name n ) (resid 55 and name ca) 
        (resid 55 and name c ) (resid 56 and name n )   1.0  155.0 20.0 2
  !!    56
 assign (resid 56 and name n ) (resid 56 and name ca) 
        (resid 56 and name c ) (resid 57 and name n )   1.0  142.0 40.0 2
  !!    57
 assign (resid 57 and name n ) (resid 57 and name ca) 
        (resid 57 and name c ) (resid 58 and name n )   1.0  138.0 35.0 2
  !!    59
 assign (resid 59 and name n ) (resid 59 and name ca) 
        (resid 59 and name c ) (resid 60 and name n )   1.0  119.0 30.0 2
  !!    60
 assign (resid 60 and name n ) (resid 60 and name ca) 
        (resid 60 and name c ) (resid 61 and name n )   1.0  131.0 30.0 2
  !!    61
 assign (resid 61 and name n ) (resid 61 and name ca) 
        (resid 61 and name c ) (resid 62 and name n )   1.0  118.0 25.0 2
  !!    62
 assign (resid 62 and name n ) (resid 62 and name ca) 
        (resid 62 and name c ) (resid 63 and name n )   1.0  140.0 40.0 2
   !!   64
 assign (resid 64 and name n ) (resid 64 and name ca) 
        (resid 64 and name c ) (resid 65 and name n )   1.0  141.0 40.0 2
  !!    66
 assign (resid 66 and name n ) (resid 66 and name ca) 
        (resid 66 and name c ) (resid 67 and name n )   1.0  -36.0 30.0 2
  !!    68
 assign (resid 68 and name n ) (resid 68 and name ca) 
        (resid 68 and name c ) (resid 69 and name n )   1.0  -44.0 20.0 2
  !!    69
 assign (resid 69 and name n ) (resid 69 and name ca) 
        (resid 69 and name c ) (resid 70 and name n )   1.0  -37.0 25.0 2
  !!    70
 assign (resid 70 and name n ) (resid 70 and name ca) 
        (resid 70 and name c ) (resid 71 and name n )   1.0  -38.0 30.0 2
  !!    71
 assign (resid 71 and name n ) (resid 71 and name ca) 
        (resid 71 and name c ) (resid 72 and name n )   1.0  -42.0 20.0 2
  !!    72
 assign (resid 72 and name n ) (resid 72 and name ca) 
        (resid 72 and name c ) (resid 73 and name n )   1.0  -45.0 20.0 2
  !!    73
 assign (resid 73 and name n ) (resid 73 and name ca) 
        (resid 73 and name c ) (resid 74 and name n )   1.0  -37.0 20.0 2
  !!    74
 assign (resid 74 and name n ) (resid 74 and name ca) 
        (resid 74 and name c ) (resid 75 and name n )   1.0  -35.0 20.0 2 
!!    76
 assign (resid 76 and name n ) (resid 76 and name ca) 
        (resid 76 and name c ) (resid 77 and name n )   1.0  -43.0 20.0 2
  !!    77
 assign (resid 77 and name n ) (resid 77 and name ca) 
        (resid 77 and name c ) (resid 78 and name n )   1.0  -37.0 25.0 2
  !!    78
 assign (resid 78 and name n ) (resid 78 and name ca) 
        (resid 78 and name c ) (resid 79 and name n )   1.0  -42.0 20.0 2
  !!    79
 assign (resid 79 and name n ) (resid 79 and name ca) 
        (resid 79 and name c ) (resid 80 and name n )   1.0  -33.0 25.0 2
  !!    80
 assign (resid 80 and name n ) (resid 80 and name ca) 
        (resid 80 and name c ) (resid 81 and name n )   1.0  4.0 20.0 2
!!    82
!! assign (resid 82 and name n ) (resid 82 and name ca) 
!!        (resid 82 and name c ) (resid 83 and name n )   1.0  122.0 55.0 2
  !!    83
 assign (resid 83 and name n ) (resid 83 and name ca) 
        (resid 83 and name c ) (resid 84 and name n )   1.0  117.0 30.0 2
   !!   86
 assign (resid 86 and name n ) (resid 86 and name ca) 
        (resid 86 and name c ) (resid 87 and name n )   1.0  146.0 30.0 2
  !!   87
 assign (resid 87 and name n ) (resid 87 and name ca) 
        (resid 87 and name c ) (resid 88 and name n )   1.0  126.0 50.0 2
 !!   88
 assign (resid 88 and name n ) (resid 88 and name ca) 
        (resid 88 and name c ) (resid 89 and name n )   1.0  -36.0 20.0 2
 !!    89
 assign (resid 89 and name n ) (resid 89 and name ca) 
        (resid 89 and name c ) (resid 90 and name n )   1.0  0.0 35.0 2
  !!    95
 assign (resid 95 and name n ) (resid 95 and name ca) 
        (resid 95 and name c ) (resid 96 and name n )   1.0  124.0 35.0 2
  !!    96
 assign (resid 96 and name n ) (resid 96 and name ca) 
        (resid 96 and name c ) (resid 97 and name n )   1.0  123.0 20.0 2
  !!    97
 assign (resid 97 and name n ) (resid 97 and name ca) 
        (resid 97 and name c ) (resid 98 and name n )   1.0  121.0 35.0 2
   !!    99
 assign (resid 99 and name n ) (resid 99 and name ca) 
        (resid 99 and name c ) (resid 100 and name n )   1.0  -37.0 20.0 2  
!!    101
 assign (resid 101 and name n ) (resid 101 and name ca) 
        (resid 101 and name c ) (resid 102 and name n )   1.0  129.0 50.0 2
  !!    104
 assign (resid 104 and name n ) (resid 104 and name ca) 
        (resid 104 and name c ) (resid 105 and name n )   1.0  143.0 45.0 2
!!  105
 assign (resid 105 and name n ) (resid 105 and name ca) 
        (resid 105 and name c ) (resid 106 and name n )   1.0  126.0 40.0 2
  !!  106
 assign (resid 106 and name n ) (resid 106 and name ca) 
        (resid 106 and name c ) (resid 107 and name n )   1.0  128.0 25.0 2
  !!    107
 assign (resid 107 and name n ) (resid 107 and name ca) 
        (resid 107 and name c ) (resid 108 and name n )   1.0  133.0 25.0 2
!!    110
 assign (resid 110 and name n ) (resid 110 and name ca) 
        (resid 110 and name c ) (resid 111 and name n )   1.0  -22.0 35.0 2
!!    112
 assign (resid 112 and name n ) (resid 112 and name ca) 
        (resid 112 and name c ) (resid 113 and name n )   1.0  122.0 20.0 2
  !!   113
 assign (resid 113 and name n ) (resid 113 and name ca) 
        (resid 113 and name c ) (resid 114 and name n )   1.0  140.0 50.0 2
    !!   114
 assign (resid 114 and name n ) (resid 114 and name ca) 
        (resid 114 and name c ) (resid 115 and name n )   1.0  130.0 40.0 2
!!    115
 assign (resid 115 and name n ) (resid 115 and name ca) 
        (resid 115 and name c ) (resid 116 and name n )   1.0  134.0 25.0 2
    116
 assign (resid 116 and name n ) (resid 116 and name ca) 
        (resid 116 and name c ) (resid 117 and name n )   1.0  122.0 30.0 2   
    118
 assign (resid 118 and name n ) (resid 118 and name ca) 
        (resid 118 and name c ) (resid 119 and name n )   1.0  -37.0 20.0 2
  !!    119
 assign (resid 119 and name n ) (resid 119 and name ca) 
        (resid 119 and name c ) (resid 120 and name n )   1.0  -24.0 35.0 2
  !!    124
 assign (resid 124 and name n ) (resid 124 and name ca) 
        (resid 124 and name c ) (resid 125 and name n )   1.0  -42.0 20.0 2
!!    125
 assign (resid 125 and name n ) (resid 125 and name ca) 
        (resid 125 and name c ) (resid 126 and name n )   1.0  -42.0 25.0 2
  !!    126
 assign (resid 126 and name n ) (resid 126 and name ca) 
        (resid 126 and name c ) (resid 127 and name n )   1.0  -38.0 20.0 2
  !!    127
 assign (resid 127 and name n ) (resid 127 and name ca) 
        (resid 127 and name c ) (resid 128 and name n )   1.0  -32.0 30.0 2
  !!    128
 assign (resid 128 and name n ) (resid 128 and name ca) 
        (resid 128 and name c ) (resid 129 and name n )  1.0 -42.0 20.0 2
  !!    129
assign (resid 129 and name n ) (resid 129 and name ca) 
       (resid 129 and name c ) (resid 130 and name n )  1.0 -36.0 20.0 2
 !!    130
 assign (resid 130 and name n ) (resid 130 and name ca) 
        (resid 130 and name c ) (resid 131 and name n )  1.0 -24.0 35.0 2
!!    131
 assign (resid 131 and name n ) (resid 131 and name ca) 
        (resid 131 and name c ) (resid 132 and name n )  1.0 0.0 25.0 2
!!    133
 assign (resid 133 and name n ) (resid 133 and name ca) 
        (resid 133 and name c ) (resid 134 and name n )  1.0 -20.0 35.0 2
!!    136
 assign (resid 136 and name n ) (resid 136 and name ca) 
        (resid 136 and name c ) (resid 137 and name n )  1.0 135.0 40.0 2 
!!    137
 assign (resid 137 and name n ) (resid 137 and name ca) 
        (resid 137 and name c ) (resid 138 and name n )  1.0 134.0 45.0 2
 !!    138
 assign (resid 138 and name n ) (resid 138 and name ca) 
        (resid 138 and name c ) (resid 139 and name n )  1.0 -24.0 40.0 2
   !!    143
 assign (resid 143 and name n ) (resid 143 and name ca) 
        (resid 143 and name c ) (resid 144 and name n )  1.0 -45.0 25.0 2
  !!    144
 assign (resid 144 and name n ) (resid 144 and name ca) 
        (resid 144 and name c ) (resid 145 and name n )  1.0 -43.0 20.0 2
  !!    l45
 assign (resid 145 and name n ) (resid 145 and name ca) 
        (resid 145 and name c ) (resid 146 and name n )  1.0 -39.0 20.0 2
  !!    146
 assign (resid 146 and name n ) (resid 146 and name ca) 
        (resid 146 and name c ) (resid 147 and name n )  1.0 -38.0 20.0 2
  !!    147
 assign (resid 147 and name n ) (resid 147 and name ca) 
        (resid 147 and name c ) (resid 148 and name n )   1.0 -37.0 25.0 2
  !!    148
 assign (resid 148 and name n ) (resid 148 and name ca) 
        (resid 148 and name c ) (resid 149 and name n )   1.0  -41.0 20.0 2
  !!    150
 assign (resid 150 and name n ) (resid 150 and name ca) 
        (resid 150 and name c ) (resid 151 and name n )   1.0  -26.0 40.0 2
  !!    156
 assign (resid 156 and name n ) (resid 156 and name ca) 
        (resid 156 and name c ) (resid 157 and name n )   1.0  141.0 40.0 2
  !!    157
 assign (resid 157 and name n ) (resid 157 and name ca) 
        (resid 157 and name c ) (resid 158 and name n )   1.0  126.0 45.0 2

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    THR   1          1HT       THR   1   0.918 -14.512  -8.219
    2   2H    THR   1          2HT       THR   1  -0.292 -15.609  -7.779
    3   3H    THR   1          3HT       THR   1   1.301 -15.855  -7.266
    4    HA   THR   1           HA       THR   1  -0.683 -14.589  -5.875
    5    HB   THR   1           HB       THR   1   2.324 -14.473  -5.534
    6    HG1  THR   1           1HG      THR   1   0.404 -16.354  -4.632
    7   1HG2  THR   1          1HG2      THR   1   1.567 -13.006  -3.918
    8   2HG2  THR   1          2HG2      THR   1   1.615 -14.548  -3.062
    9   3HG2  THR   1          3HG2      THR   1   0.079 -13.911  -3.648
   10    H    VAL   2           H        VAL   2  -1.296 -12.541  -5.453
   11    HA   VAL   2           HA       VAL   2  -0.025 -10.412  -7.028
   12    HB   VAL   2           HB       VAL   2  -2.747 -10.459  -5.716
   13   1HG1  VAL   2          1HG1      VAL   2  -3.173  -8.364  -6.590
   14   2HG1  VAL   2          2HG1      VAL   2  -1.891  -8.490  -7.796
   15   3HG1  VAL   2          3HG1      VAL   2  -1.485  -8.219  -6.101
   16   1HG2  VAL   2          1HG2      VAL   2  -2.939 -11.951  -7.480
   17   2HG2  VAL   2          2HG2      VAL   2  -1.810 -11.054  -8.495
   18   3HG2  VAL   2          3HG2      VAL   2  -3.434 -10.424  -8.212
   19    H    ALA   3           H        ALA   3   0.616  -8.484  -6.103
   20    HA   ALA   3           HA       ALA   3   0.905  -8.542  -3.179
   21   1HB   ALA   3          1HB       ALA   3   2.545  -6.535  -4.345
   22   2HB   ALA   3          2HB       ALA   3   2.758  -8.030  -5.257
   23   3HB   ALA   3          3HB       ALA   3   3.031  -8.013  -3.515
   24    H    TYR   4           H        TYR   4  -0.827  -7.514  -2.377
   25    HA   TYR   4           HA       TYR   4  -1.857  -5.094  -3.583
   26   1HB   TYR   4          2HB       TYR   4  -2.654  -6.406  -0.974
   27   2HB   TYR   4          1HB       TYR   4  -3.566  -5.190  -1.861
   28    HD1  TYR   4           1HD      TYR   4  -2.085  -8.582  -2.455
   29    HD2  TYR   4           2HD      TYR   4  -5.343  -5.929  -3.121
   30    HE1  TYR   4           1HE      TYR   4  -3.272 -10.357  -3.671
   31    HE2  TYR   4           2HE      TYR   4  -6.535  -7.698  -4.337
   32    HH   TYR   4           HH       TYR   4  -5.552  -9.982  -5.705
   33    H    ILE   5           H        ILE   5  -0.433  -3.447  -3.351
   34    HA   ILE   5           HA       ILE   5   0.539  -2.869  -0.632
   35    HB   ILE   5           HB       ILE   5   1.743  -1.891  -3.217
   36   1HG1  ILE   5          2HG1      ILE   5   2.637  -4.226  -1.510
   37   2HG1  ILE   5          1HG1      ILE   5   1.777  -4.383  -3.037
   38   1HG2  ILE   5          1HG2      ILE   5   2.282  -1.473  -0.380
   39   2HG2  ILE   5          2HG2      ILE   5   2.799  -0.537  -1.783
   40   3HG2  ILE   5          3HG2      ILE   5   3.701  -1.973  -1.300
   41   1HD1  ILE   5          1HD1      ILE   5   4.018  -2.715  -3.477
   42   2HD1  ILE   5          2HD1      ILE   5   3.701  -4.330  -4.112
   43   3HD1  ILE   5          3HD1      ILE   5   4.559  -4.136  -2.583
   44    H    ALA   6           H        ALA   6   0.624  -0.712   0.081
   45    HA   ALA   6           HA       ALA   6  -1.213   1.126  -1.314
   46   1HB   ALA   6          1HB       ALA   6  -0.737   1.415   1.605
   47   2HB   ALA   6          2HB       ALA   6  -1.751   0.076   1.065
   48   3HB   ALA   6          3HB       ALA   6  -2.191   1.735   0.657
   49    H    ILE   7           H        ILE   7  -0.192   2.832  -2.144
   50    HA   ILE   7           HA       ILE   7   2.407   3.612  -1.036
   51    HB   ILE   7           HB       ILE   7   1.121   4.372  -3.662
   52   1HG1  ILE   7          2HG1      ILE   7   3.405   2.473  -3.077
   53   2HG1  ILE   7          1HG1      ILE   7   1.758   1.977  -3.453
   54   1HG2  ILE   7          1HG2      ILE   7   2.610   6.028  -3.697
   55   2HG2  ILE   7          2HG2      ILE   7   3.864   4.793  -3.809
   56   3HG2  ILE   7          3HG2      ILE   7   3.400   5.438  -2.235
   57   1HD1  ILE   7          1HD1      ILE   7   3.901   2.917  -5.218
   58   2HD1  ILE   7          2HD1      ILE   7   2.296   3.553  -5.574
   59   3HD1  ILE   7          3HD1      ILE   7   2.565   1.811  -5.533
   60    H    GLY   8           H        GLY   8   2.876   5.645  -0.338
   61   1HA   GLY   8          2HA       GLY   8   0.687   7.619  -0.307
   62   2HA   GLY   8          1HA       GLY   8   1.559   7.232   1.169
   63    H    SER   9           H        SER   9   1.370   9.824   0.006
   64    HA   SER   9           HA       SER   9   4.151  10.504  -0.048
   65   1HB   SER   9          2HB       SER   9   4.002  11.650  -2.302
   66   2HB   SER   9          1HB       SER   9   4.041   9.887  -2.350
   67    HG   SER   9           HG       SER   9   1.530  10.455  -2.184
   68    H    ASN  10           H        ASN  10   4.471  12.561   0.651
   69    HA   ASN  10           HA       ASN  10   2.246  14.459   0.537
   70   1HB   ASN  10          2HB       ASN  10   3.689  13.814   3.113
   71   2HB   ASN  10          1HB       ASN  10   2.367  14.954   2.903
   72   1HD2  ASN  10          1HD2      ASN  10   0.481  14.243   3.525
   73   2HD2  ASN  10          2HD2      ASN  10  -0.031  12.595   3.565
   74    H    LEU  11           H        LEU  11   5.324  14.299   2.302
   75    HA   LEU  11           HA       LEU  11   5.963  17.008   1.633
   76   1HB   LEU  11          2HB       LEU  11   7.460  14.860   3.118
   77   2HB   LEU  11          1HB       LEU  11   8.110  16.465   2.862
   78    HG   LEU  11           HG       LEU  11   7.187  16.322   5.081
   79   1HD1  LEU  11          1HD1      LEU  11   5.007  17.918   4.161
   80   2HD1  LEU  11          2HD1      LEU  11   6.423  18.221   3.156
   81   3HD1  LEU  11          3HD1      LEU  11   6.523  18.422   4.905
   82   1HD2  LEU  11          1HD2      LEU  11   4.766  15.937   5.425
   83   2HD2  LEU  11          2HD2      LEU  11   5.619  14.520   4.814
   84   3HD2  LEU  11          3HD2      LEU  11   4.628  15.490   3.725
   85    H    ALA  12           H        ALA  12   5.781  15.551  -0.756
   86    HA   ALA  12           HA       ALA  12   8.150  16.321  -2.039
   87   1HB   ALA  12          1HB       ALA  12   8.696  13.794  -2.697
   88   2HB   ALA  12          2HB       ALA  12   8.089  13.528  -1.062
   89   3HB   ALA  12          3HB       ALA  12   9.457  14.609  -1.331
   90    H    SER  13           H        SER  13   5.797  16.988  -2.846
   91    HA   SER  13           HA       SER  13   4.181  16.889  -4.453
   92   1HB   SER  13          2HB       SER  13   5.053  16.174  -6.714
   93   2HB   SER  13          1HB       SER  13   6.006  17.413  -5.901
   94    HG   SER  13           HG       SER  13   7.429  15.900  -6.645
   95    HA   PRO  14           HA       PRO  14   2.675  12.729  -3.228
   96   1HB   PRO  14          2HB       PRO  14   0.247  14.157  -4.224
   97   2HB   PRO  14          1HB       PRO  14   0.443  13.126  -2.801
   98   1HG   PRO  14          2HG       PRO  14   0.368  15.766  -2.541
   99   2HG   PRO  14          1HG       PRO  14   1.491  14.794  -1.572
  100   1HD   PRO  14          2HD       PRO  14   2.033  16.533  -3.928
  101   2HD   PRO  14          1HD       PRO  14   3.051  16.191  -2.515
  102    H    LEU  15           H        LEU  15   2.434  14.434  -6.266
  103    HA   LEU  15           HA       LEU  15   1.305  12.147  -7.645
  104   1HB   LEU  15          2HB       LEU  15   0.618  14.376  -8.311
  105   2HB   LEU  15          1HB       LEU  15   2.280  14.816  -8.653
  106    HG   LEU  15           HG       LEU  15   2.318  13.124 -10.472
  107   1HD1  LEU  15          1HD1      LEU  15  -0.528  12.762  -9.605
  108   2HD1  LEU  15          2HD1      LEU  15   0.706  11.538  -9.904
  109   3HD1  LEU  15          3HD1      LEU  15  -0.017  12.411 -11.255
  110   1HD2  LEU  15          1HD2      LEU  15   0.543  14.402 -11.892
  111   2HD2  LEU  15          2HD2      LEU  15   1.973  15.244 -11.295
  112   3HD2  LEU  15          3HD2      LEU  15   0.428  15.432 -10.465
  113    H    GLU  16           H        GLU  16   4.396  13.842  -7.483
  114    HA   GLU  16           HA       GLU  16   5.722  12.423  -9.509
  115   1HB   GLU  16          2HB       GLU  16   6.363  14.580  -8.172
  116   2HB   GLU  16          1HB       GLU  16   7.165  13.446  -7.094
  117   1HG   GLU  16          2HG       GLU  16   8.789  14.231  -8.614
  118   2HG   GLU  16          1HG       GLU  16   8.404  12.576  -9.086
  119    H    GLN  17           H        GLN  17   5.500  11.823  -6.022
  120    HA   GLN  17           HA       GLN  17   7.337   9.729  -5.842
  121   1HB   GLN  17          2HB       GLN  17   4.820  10.079  -4.209
  122   2HB   GLN  17          1HB       GLN  17   6.236   9.143  -3.755
  123   1HG   GLN  17          2HG       GLN  17   6.189  12.121  -4.176
  124   2HG   GLN  17          1HG       GLN  17   6.107  11.311  -2.613
  125   1HE2  GLN  17          1HE2      GLN  17   7.948  11.137  -1.575
  126   2HE2  GLN  17          2HE2      GLN  17   9.525  11.136  -2.280
  127    H    VAL  18           H        VAL  18   3.800   9.536  -6.208
  128    HA   VAL  18           HA       VAL  18   3.517   6.795  -6.250
  129    HB   VAL  18           HB       VAL  18   1.902   8.784  -7.844
  130   1HG1  VAL  18          1HG1      VAL  18   0.209   6.780  -7.064
  131   2HG1  VAL  18          2HG1      VAL  18   1.687   5.896  -7.445
  132   3HG1  VAL  18          3HG1      VAL  18   0.941   6.932  -8.661
  133   1HG2  VAL  18          1HG2      VAL  18   1.463   7.722  -5.054
  134   2HG2  VAL  18          2HG2      VAL  18   0.419   8.848  -5.921
  135   3HG2  VAL  18          3HG2      VAL  18   2.048   9.337  -5.455
  136    H    ASN  19           H        ASN  19   4.344   8.922  -8.967
  137    HA   ASN  19           HA       ASN  19   4.026   7.158 -11.067
  138   1HB   ASN  19          2HB       ASN  19   6.121   9.304 -10.702
  139   2HB   ASN  19          1HB       ASN  19   5.823   8.469 -12.222
  140   1HD2  ASN  19          1HD2      ASN  19   5.303  11.256 -10.765
  141   2HD2  ASN  19          2HD2      ASN  19   3.772  11.701 -11.433
  142    H    ALA  20           H        ALA  20   7.137   7.771  -9.413
  143    HA   ALA  20           HA       ALA  20   8.298   5.415 -10.592
  144   1HB   ALA  20          1HB       ALA  20   9.293   7.785  -9.532
  145   2HB   ALA  20          2HB       ALA  20  10.227   6.419 -10.142
  146   3HB   ALA  20          3HB       ALA  20   9.844   6.527  -8.424
  147    H    ALA  21           H        ALA  21   6.116   5.629  -8.228
  148    HA   ALA  21           HA       ALA  21   7.385   3.771  -6.369
  149   1HB   ALA  21          1HB       ALA  21   6.122   5.596  -5.399
  150   2HB   ALA  21          2HB       ALA  21   5.348   4.057  -5.021
  151   3HB   ALA  21          3HB       ALA  21   4.677   5.096  -6.278
  152    H    LEU  22           H        LEU  22   4.966   3.837  -8.886
  153    HA   LEU  22           HA       LEU  22   4.265   1.053  -8.305
  154   1HB   LEU  22          2HB       LEU  22   2.430   1.439  -9.978
  155   2HB   LEU  22          1HB       LEU  22   2.324   2.363  -8.496
  156    HG   LEU  22           HG       LEU  22   3.386   4.287  -9.810
  157   1HD1  LEU  22          1HD1      LEU  22   2.772   2.364 -12.021
  158   2HD1  LEU  22          2HD1      LEU  22   4.224   3.331 -11.753
  159   3HD1  LEU  22          3HD1      LEU  22   2.733   4.107 -12.289
  160   1HD2  LEU  22          1HD2      LEU  22   0.969   4.321 -11.142
  161   2HD2  LEU  22          2HD2      LEU  22   1.272   4.919  -9.511
  162   3HD2  LEU  22          3HD2      LEU  22   0.666   3.280  -9.751
  163    H    LYS  23           H        LYS  23   6.008   2.998 -10.567
  164    HA   LYS  23           HA       LYS  23   6.001   0.924 -12.596
  165   1HB   LYS  23          2HB       LYS  23   7.267   2.402 -13.957
  166   2HB   LYS  23          1HB       LYS  23   6.037   3.376 -13.164
  167   1HG   LYS  23          2HG       LYS  23   7.643   4.249 -11.616
  168   2HG   LYS  23          1HG       LYS  23   8.887   3.156 -12.224
  169   1HD   LYS  23          2HD       LYS  23   7.534   5.298 -13.861
  170   2HD   LYS  23          1HD       LYS  23   9.100   5.480 -13.073
  171   1HE   LYS  23          2HE       LYS  23   9.532   4.932 -15.341
  172   2HE   LYS  23          1HE       LYS  23   9.880   3.488 -14.395
  173   1HZ   LYS  23          1HZ       LYS  23   8.256   3.635 -16.584
  174   2HZ   LYS  23          2HZ       LYS  23   7.170   3.560 -15.290
  175   3HZ   LYS  23          3HZ       LYS  23   8.337   2.349 -15.485
  176    H    ALA  24           H        ALA  24   7.957   1.963  -9.936
  177    HA   ALA  24           HA       ALA  24  10.418   0.819 -10.703
  178   1HB   ALA  24          1HB       ALA  24  10.845   2.090  -8.897
  179   2HB   ALA  24          2HB       ALA  24  10.463   0.626  -7.991
  180   3HB   ALA  24          3HB       ALA  24   9.229   1.862  -8.231
  181    H    LEU  25           H        LEU  25   7.456  -0.526  -9.626
  182    HA   LEU  25           HA       LEU  25   8.420  -2.965  -8.554
  183   1HB   LEU  25          2HB       LEU  25   5.745  -2.344  -9.811
  184   2HB   LEU  25          1HB       LEU  25   6.108  -3.748  -8.826
  185    HG   LEU  25           HG       LEU  25   6.170  -0.886  -7.861
  186   1HD1  LEU  25          1HD1      LEU  25   4.250  -2.394  -6.486
  187   2HD1  LEU  25          2HD1      LEU  25   4.008  -2.740  -8.200
  188   3HD1  LEU  25          3HD1      LEU  25   3.974  -1.073  -7.623
  189   1HD2  LEU  25          1HD2      LEU  25   7.709  -2.679  -6.801
  190   2HD2  LEU  25          2HD2      LEU  25   6.213  -3.321  -6.123
  191   3HD2  LEU  25          3HD2      LEU  25   6.712  -1.672  -5.751
  192    H    GLY  26           H        GLY  26   8.007  -1.771 -11.749
  193   1HA   GLY  26          2HA       GLY  26   7.709  -4.214 -13.144
  194   2HA   GLY  26          1HA       GLY  26   8.311  -2.708 -13.822
  195    H    ASP  27           H        ASP  27  10.476  -2.602 -11.779
  196    HA   ASP  27           HA       ASP  27  12.342  -4.336 -13.198
  197   1HB   ASP  27          2HB       ASP  27  12.724  -2.019 -11.307
  198   2HB   ASP  27          1HB       ASP  27  14.062  -3.028 -11.846
  199    H    ILE  28           H        ILE  28  10.857  -3.988 -10.076
  200    HA   ILE  28           HA       ILE  28  12.566  -5.342  -8.404
  201    HB   ILE  28           HB       ILE  28   9.556  -5.610  -8.434
  202   1HG1  ILE  28          2HG1      ILE  28  10.267  -3.263  -8.356
  203   2HG1  ILE  28          1HG1      ILE  28   9.570  -3.758  -6.818
  204   1HG2  ILE  28          1HG2      ILE  28  11.630  -6.222  -6.348
  205   2HG2  ILE  28          2HG2      ILE  28  10.390  -7.287  -7.013
  206   3HG2  ILE  28          3HG2      ILE  28   9.933  -5.959  -5.947
  207   1HD1  ILE  28          1HD1      ILE  28  11.507  -3.478  -5.704
  208   2HD1  ILE  28          2HD1      ILE  28  11.843  -2.373  -7.036
  209   3HD1  ILE  28          3HD1      ILE  28  12.497  -4.010  -7.063
  210    HA   PRO  29           HA       PRO  29  13.029  -9.370 -10.234
  211   1HB   PRO  29          2HB       PRO  29  13.658 -10.679  -7.857
  212   2HB   PRO  29          1HB       PRO  29  14.809  -9.882  -8.929
  213   1HG   PRO  29          2HG       PRO  29  13.560  -8.892  -6.413
  214   2HG   PRO  29          1HG       PRO  29  15.197  -8.626  -7.038
  215   1HD   PRO  29          2HD       PRO  29  13.306  -6.723  -7.168
  216   2HD   PRO  29          1HD       PRO  29  14.515  -6.927  -8.454
  217    H    GLU  30           H        GLU  30  11.664 -10.987 -10.647
  218    HA   GLU  30           HA       GLU  30   9.826 -12.315 -10.594
  219   1HB   GLU  30          2HB       GLU  30  10.494 -12.149  -7.670
  220   2HB   GLU  30          1HB       GLU  30   9.085 -13.040  -8.223
  221   1HG   GLU  30          2HG       GLU  30  10.938 -14.536  -7.890
  222   2HG   GLU  30          1HG       GLU  30  10.530 -14.455  -9.601
  223    H    SER  31           H        SER  31   9.618  -9.241 -10.156
  224    HA   SER  31           HA       SER  31   6.816  -9.274  -9.249
  225   1HB   SER  31          2HB       SER  31   8.816  -7.008  -9.161
  226   2HB   SER  31          1HB       SER  31   7.116  -6.867  -8.713
  227    HG   SER  31           HG       SER  31   7.504  -7.872  -6.893
  228    H    HIS  32           H        HIS  32   5.268  -8.642 -10.602
  229    HA   HIS  32           HA       HIS  32   5.952  -7.054 -12.953
  230   1HB   HIS  32          2HB       HIS  32   6.078  -9.529 -13.518
  231   2HB   HIS  32          1HB       HIS  32   4.344  -9.594 -13.220
  232    HD1  HIS  32           1HD      HIS  32   6.618  -7.349 -15.294
  233    HD2  HIS  32           2HD      HIS  32   3.009  -9.388 -15.550
  234    HE1  HIS  32           1HE      HIS  32   5.753  -6.893 -17.609
  235    HE2  HIS  32           2HE      HIS  32   3.512  -8.039 -17.699
  236    H    ILE  33           H        ILE  33   4.716  -5.343 -12.543
  237    HA   ILE  33           HA       ILE  33   2.301  -5.301 -11.147
  238    HB   ILE  33           HB       ILE  33   3.799  -3.347 -11.613
  239   1HG1  ILE  33          2HG1      ILE  33   0.912  -2.889 -12.379
  240   2HG1  ILE  33          1HG1      ILE  33   1.478  -3.118 -10.726
  241   1HG2  ILE  33          1HG2      ILE  33   2.410  -2.691 -14.110
  242   2HG2  ILE  33          2HG2      ILE  33   3.547  -4.034 -14.224
  243   3HG2  ILE  33          3HG2      ILE  33   4.097  -2.460 -13.649
  244   1HD1  ILE  33          1HD1      ILE  33   1.328  -0.821 -10.920
  245   2HD1  ILE  33          2HD1      ILE  33   1.936  -0.820 -12.576
  246   3HD1  ILE  33          3HD1      ILE  33   3.037  -1.128 -11.233
  247    H    LEU  34           H        LEU  34   0.185  -5.493 -11.720
  248    HA   LEU  34           HA       LEU  34  -0.357  -6.255 -14.514
  249   1HB   LEU  34          2HB       LEU  34  -0.726  -8.057 -12.902
  250   2HB   LEU  34          1HB       LEU  34  -1.825  -7.037 -11.994
  251    HG   LEU  34           HG       LEU  34  -3.349  -6.991 -13.957
  252   1HD1  LEU  34          1HD1      LEU  34  -1.766  -9.247 -15.119
  253   2HD1  LEU  34          2HD1      LEU  34  -1.399  -7.576 -15.549
  254   3HD1  LEU  34          3HD1      LEU  34  -3.000  -8.239 -15.876
  255   1HD2  LEU  34          1HD2      LEU  34  -4.330  -8.607 -12.797
  256   2HD2  LEU  34          2HD2      LEU  34  -2.775  -9.196 -12.211
  257   3HD2  LEU  34          3HD2      LEU  34  -3.416  -9.780 -13.746
  258    H    THR  35           H        THR  35  -2.461  -5.196 -11.840
  259    HA   THR  35           HA       THR  35  -3.609  -3.201 -13.678
  260    HB   THR  35           HB       THR  35  -5.631  -3.302 -12.253
  261    HG1  THR  35           1HG      THR  35  -4.644  -5.607 -11.019
  262   1HG2  THR  35          1HG2      THR  35  -5.024  -5.039 -14.180
  263   2HG2  THR  35          2HG2      THR  35  -6.528  -5.101 -13.262
  264   3HG2  THR  35          3HG2      THR  35  -5.185  -6.157 -12.825
  265    H    VAL  36           H        VAL  36  -4.163  -1.130 -12.860
  266    HA   VAL  36           HA       VAL  36  -2.871  -0.397 -10.321
  267    HB   VAL  36           HB       VAL  36  -2.666   1.188 -12.885
  268   1HG1  VAL  36          1HG1      VAL  36  -1.372   2.771 -11.693
  269   2HG1  VAL  36          2HG1      VAL  36  -1.283   1.735 -10.270
  270   3HG1  VAL  36          3HG1      VAL  36  -2.815   2.486 -10.720
  271   1HG2  VAL  36          1HG2      VAL  36  -0.719   0.195 -13.314
  272   2HG2  VAL  36          2HG2      VAL  36  -1.185  -1.015 -12.117
  273   3HG2  VAL  36          3HG2      VAL  36  -0.183   0.358 -11.641
  274    H    SER  37           H        SER  37  -4.042   0.892  -9.045
  275    HA   SER  37           HA       SER  37  -6.725   1.578  -9.793
  276   1HB   SER  37          2HB       SER  37  -6.046   0.877  -7.480
  277   2HB   SER  37          1HB       SER  37  -5.171   2.399  -7.321
  278    HG   SER  37           HG       SER  37  -7.763   2.710  -8.144
  279    H    SER  38           H        SER  38  -6.637   4.147  -8.224
  280    HA   SER  38           HA       SER  38  -5.191   5.838 -10.133
  281   1HB   SER  38          2HB       SER  38  -7.139   7.419 -10.129
  282   2HB   SER  38          1HB       SER  38  -7.469   5.876 -10.914
  283    HG   SER  38           HG       SER  38  -8.938   6.916  -9.133
  284    H    PHE  39           H        PHE  39  -5.630   8.291  -9.194
  285    HA   PHE  39           HA       PHE  39  -4.363   8.164  -6.578
  286   1HB   PHE  39          2HB       PHE  39  -4.280  10.780  -7.118
  287   2HB   PHE  39          1HB       PHE  39  -3.106   9.639  -7.760
  288    HD1  PHE  39           1HD      PHE  39  -2.533  10.054  -9.916
  289    HD2  PHE  39           2HD      PHE  39  -6.554  10.742  -8.712
  290    HE1  PHE  39           1HE      PHE  39  -3.097  10.743 -12.208
  291    HE2  PHE  39           2HE      PHE  39  -7.127  11.430 -11.003
  292    HZ   PHE  39           HZ       PHE  39  -5.397  11.429 -12.755
  293    H    TYR  40           H        TYR  40  -5.326   8.580  -4.735
  294    HA   TYR  40           HA       TYR  40  -7.869  10.072  -4.755
  295   1HB   TYR  40          2HB       TYR  40  -7.165   7.748  -2.950
  296   2HB   TYR  40          1HB       TYR  40  -8.671   8.653  -2.933
  297    HD1  TYR  40           1HD      TYR  40  -6.581   6.520  -5.168
  298    HD2  TYR  40           2HD      TYR  40 -10.481   7.888  -4.163
  299    HE1  TYR  40           1HE      TYR  40  -7.548   4.924  -6.767
  300    HE2  TYR  40           2HE      TYR  40 -11.457   6.297  -5.761
  301    HH   TYR  40           HH       TYR  40  -9.693   3.763  -7.140
  302    H    ARG  41           H        ARG  41  -7.896  11.820  -3.455
  303    HA   ARG  41           HA       ARG  41  -5.619  12.287  -1.720
  304   1HB   ARG  41          2HB       ARG  41  -6.875  14.026  -3.243
  305   2HB   ARG  41          1HB       ARG  41  -7.961  14.146  -1.862
  306   1HG   ARG  41          2HG       ARG  41  -5.991  14.652  -0.433
  307   2HG   ARG  41          1HG       ARG  41  -5.002  14.690  -1.893
  308   1HD   ARG  41          2HD       ARG  41  -5.511  16.923  -1.556
  309   2HD   ARG  41          1HD       ARG  41  -6.722  16.419  -2.733
  310    HE   ARG  41           HE       ARG  41  -7.807  16.063  -0.191
  311   1HH1  ARG  41          1HH1      ARG  41  -6.748  18.645  -2.271
  312   2HH1  ARG  41          2HH1      ARG  41  -7.809  19.821  -1.569
  313   1HH2  ARG  41          1HH2      ARG  41  -9.201  17.603   0.746
  314   2HH2  ARG  41          2HH2      ARG  41  -9.202  19.227   0.147
  315    H    THR  42           H        THR  42  -5.644  12.277   0.472
  316    HA   THR  42           HA       THR  42  -8.067  12.219   2.006
  317    HB   THR  42           HB       THR  42  -8.150   9.933   1.267
  318    HG1  THR  42           1HG      THR  42  -8.684   9.774   3.315
  319   1HG2  THR  42          1HG2      THR  42  -6.193   8.406   1.994
  320   2HG2  THR  42          2HG2      THR  42  -5.241   9.888   1.900
  321   3HG2  THR  42          3HG2      THR  42  -6.094   9.295   0.474
  322    HA   PRO  43           HA       PRO  43  -5.157  13.622   5.036
  323   1HB   PRO  43          2HB       PRO  43  -6.760  12.602   7.237
  324   2HB   PRO  43          1HB       PRO  43  -6.536  14.272   6.710
  325   1HG   PRO  43          2HG       PRO  43  -8.891  12.926   6.460
  326   2HG   PRO  43          1HG       PRO  43  -8.392  14.236   5.374
  327   1HD   PRO  43          2HD       PRO  43  -8.289  11.276   4.948
  328   2HD   PRO  43          1HD       PRO  43  -8.719  12.566   3.805
  329    HA   PRO  44           HA       PRO  44  -2.920   9.887   6.076
  330   1HB   PRO  44          2HB       PRO  44  -0.819  11.469   7.226
  331   2HB   PRO  44          1HB       PRO  44  -0.835  10.653   5.664
  332   1HG   PRO  44          2HG       PRO  44  -0.836  13.395   6.022
  333   2HG   PRO  44          1HG       PRO  44  -1.351  12.558   4.551
  334   1HD   PRO  44          2HD       PRO  44  -2.992  13.756   6.728
  335   2HD   PRO  44          1HD       PRO  44  -3.328  13.644   4.988
  336    H    LEU  45           H        LEU  45  -1.558   9.202   8.106
  337    HA   LEU  45           HA       LEU  45  -2.717  10.297  10.558
  338   1HB   LEU  45          2HB       LEU  45  -2.756   7.382   9.785
  339   2HB   LEU  45          1HB       LEU  45  -3.000   7.947  11.424
  340    HG   LEU  45           HG       LEU  45  -4.943   9.336  10.423
  341   1HD1  LEU  45          1HD1      LEU  45  -5.387   9.127   8.268
  342   2HD1  LEU  45          2HD1      LEU  45  -5.594   7.387   8.466
  343   3HD1  LEU  45          3HD1      LEU  45  -4.003   8.048   8.086
  344   1HD2  LEU  45          1HD2      LEU  45  -4.742   6.577  11.296
  345   2HD2  LEU  45          2HD2      LEU  45  -6.144   6.856  10.264
  346   3HD2  LEU  45          3HD2      LEU  45  -5.920   7.818  11.726
  347    H    GLY  46           H        GLY  46  -0.724  11.194  11.081
  348   1HA   GLY  46          2HA       GLY  46   1.009   9.727  12.639
  349   2HA   GLY  46          1HA       GLY  46   1.692   9.670  11.023
  350    HA   PRO  47           HA       PRO  47   3.415  13.438  13.021
  351   1HB   PRO  47          2HB       PRO  47   5.869  12.735  11.613
  352   2HB   PRO  47          1HB       PRO  47   5.587  12.896  13.347
  353   1HG   PRO  47          2HG       PRO  47   6.055  10.509  12.151
  354   2HG   PRO  47          1HG       PRO  47   5.045  10.679  13.598
  355   1HD   PRO  47          2HD       PRO  47   4.220  10.383  10.732
  356   2HD   PRO  47          1HD       PRO  47   3.535   9.625  12.188
  357    H    GLN  48           H        GLN  48   5.640  13.423  10.452
  358    HA   GLN  48           HA       GLN  48   5.974  15.049   8.865
  359   1HB   GLN  48          2HB       GLN  48   4.440  14.749   6.931
  360   2HB   GLN  48          1HB       GLN  48   5.071  13.238   7.567
  361   1HG   GLN  48          2HG       GLN  48   2.964  12.857   8.746
  362   2HG   GLN  48          1HG       GLN  48   2.334  14.372   8.097
  363   1HE2  GLN  48          1HE2      GLN  48   2.178  11.174   7.741
  364   2HE2  GLN  48          2HE2      GLN  48   1.824  11.061   6.054
  365    H    ASP  49           H        ASP  49   3.049  15.862   7.598
  366    HA   ASP  49           HA       ASP  49   2.504  17.980   9.542
  367   1HB   ASP  49          2HB       ASP  49   2.495  19.721   7.876
  368   2HB   ASP  49          1HB       ASP  49   4.055  18.907   7.818
  369    H    GLN  50           H        GLN  50   1.423  15.548   7.616
  370    HA   GLN  50           HA       GLN  50  -0.618  14.805   6.941
  371   1HB   GLN  50          2HB       GLN  50  -1.714  16.807   8.917
  372   2HB   GLN  50          1HB       GLN  50  -2.487  15.331   8.356
  373   1HG   GLN  50          2HG       GLN  50   0.053  15.427   9.966
  374   2HG   GLN  50          1HG       GLN  50  -1.555  15.162  10.636
  375   1HE2  GLN  50          1HE2      GLN  50   1.180  13.660   9.632
  376   2HE2  GLN  50          2HE2      GLN  50   0.542  12.090   9.296
  377    HA   PRO  51           HA       PRO  51  -1.524  18.694   4.460
  378   1HB   PRO  51          2HB       PRO  51  -0.123  18.255   2.225
  379   2HB   PRO  51          1HB       PRO  51   0.638  18.943   3.665
  380   1HG   PRO  51          2HG       PRO  51   0.735  16.146   2.623
  381   2HG   PRO  51          1HG       PRO  51   2.027  17.118   3.347
  382   1HD   PRO  51          2HD       PRO  51   0.546  15.195   4.684
  383   2HD   PRO  51          1HD       PRO  51   1.441  16.513   5.464
  384    H    ASP  52           H        ASP  52  -1.514  18.041   1.566
  385    HA   ASP  52           HA       ASP  52  -4.111  17.112   1.257
  386   1HB   ASP  52          2HB       ASP  52  -1.863  16.903  -0.756
  387   2HB   ASP  52          1HB       ASP  52  -3.587  16.858  -1.114
  388    H    TYR  53           H        TYR  53  -1.086  15.334   0.660
  389    HA   TYR  53           HA       TYR  53  -0.563  13.130   0.786
  390   1HB   TYR  53          2HB       TYR  53  -1.502  13.276   3.028
  391   2HB   TYR  53          1HB       TYR  53  -3.116  12.993   2.393
  392    HD1  TYR  53           1HD      TYR  53  -3.690  11.032   3.535
  393    HD2  TYR  53           2HD      TYR  53  -0.017  11.211   1.403
  394    HE1  TYR  53           1HE      TYR  53  -3.397   8.621   3.858
  395    HE2  TYR  53           2HE      TYR  53   0.285   8.796   1.720
  396    HH   TYR  53           HH       TYR  53  -0.491   7.043   3.327
  397    H    LEU  54           H        LEU  54  -0.629  11.741  -0.822
  398    HA   LEU  54           HA       LEU  54  -3.205  11.234  -2.165
  399   1HB   LEU  54          2HB       LEU  54  -1.504  12.505  -3.499
  400   2HB   LEU  54          1HB       LEU  54  -0.449  11.108  -3.392
  401    HG   LEU  54           HG       LEU  54  -2.162   9.767  -4.596
  402   1HD1  LEU  54          1HD1      LEU  54  -3.546  12.210  -5.506
  403   2HD1  LEU  54          2HD1      LEU  54  -3.929  11.651  -3.878
  404   3HD1  LEU  54          3HD1      LEU  54  -4.164  10.577  -5.257
  405   1HD2  LEU  54          1HD2      LEU  54  -1.432  12.226  -6.166
  406   2HD2  LEU  54          2HD2      LEU  54  -1.595  10.567  -6.740
  407   3HD2  LEU  54          3HD2      LEU  54  -0.244  11.010  -5.697
  408    H    ASN  55           H        ASN  55  -3.831   9.146  -2.423
  409    HA   ASN  55           HA       ASN  55  -1.894   7.049  -1.714
  410   1HB   ASN  55          2HB       ASN  55  -3.411   7.472   0.184
  411   2HB   ASN  55          1HB       ASN  55  -4.794   7.149  -0.857
  412   1HD2  ASN  55          1HD2      ASN  55  -2.786   5.857   1.388
  413   2HD2  ASN  55          2HD2      ASN  55  -3.012   4.178   1.049
  414    H    ALA  56           H        ALA  56  -2.033   5.128  -2.830
  415    HA   ALA  56           HA       ALA  56  -4.205   4.526  -4.599
  416   1HB   ALA  56          1HB       ALA  56  -1.675   4.878  -6.107
  417   2HB   ALA  56          2HB       ALA  56  -2.595   6.327  -5.701
  418   3HB   ALA  56          3HB       ALA  56  -3.347   5.041  -6.643
  419    H    ALA  57           H        ALA  57  -4.361   2.384  -4.625
  420    HA   ALA  57           HA       ALA  57  -2.118   0.760  -3.757
  421   1HB   ALA  57          1HB       ALA  57  -3.687  -1.048  -3.610
  422   2HB   ALA  57          2HB       ALA  57  -4.893  -0.134  -4.515
  423   3HB   ALA  57          3HB       ALA  57  -4.423   0.389  -2.898
  424    H    VAL  58           H        VAL  58  -1.952  -1.458  -4.968
  425    HA   VAL  58           HA       VAL  58  -2.400  -1.382  -7.792
  426    HB   VAL  58           HB       VAL  58  -0.494   0.096  -7.754
  427   1HG1  VAL  58          1HG1      VAL  58   1.725  -1.256  -7.015
  428   2HG1  VAL  58          2HG1      VAL  58   0.556  -1.886  -5.853
  429   3HG1  VAL  58          3HG1      VAL  58   0.842  -0.148  -5.963
  430   1HG2  VAL  58          1HG2      VAL  58  -0.663  -1.449  -9.619
  431   2HG2  VAL  58          2HG2      VAL  58   0.254  -2.660  -8.720
  432   3HG2  VAL  58          3HG2      VAL  58   1.029  -1.154  -9.215
  433    H    ALA  59           H        ALA  59  -2.566  -3.383  -8.561
  434    HA   ALA  59           HA       ALA  59  -1.928  -5.616  -6.821
  435   1HB   ALA  59          1HB       ALA  59  -4.023  -5.184  -8.450
  436   2HB   ALA  59          2HB       ALA  59  -3.487  -6.791  -7.961
  437   3HB   ALA  59          3HB       ALA  59  -2.997  -6.135  -9.523
  438    H    LEU  60           H        LEU  60   0.285  -5.789  -6.845
  439    HA   LEU  60           HA       LEU  60   1.724  -5.933  -9.353
  440   1HB   LEU  60          2HB       LEU  60   2.723  -4.777  -7.463
  441   2HB   LEU  60          1HB       LEU  60   2.626  -6.231  -6.489
  442    HG   LEU  60           HG       LEU  60   4.229  -7.331  -8.042
  443   1HD1  LEU  60          1HD1      LEU  60   3.723  -4.958  -9.579
  444   2HD1  LEU  60          2HD1      LEU  60   4.578  -6.431 -10.038
  445   3HD1  LEU  60          3HD1      LEU  60   5.445  -5.118  -9.240
  446   1HD2  LEU  60          1HD2      LEU  60   4.744  -5.199  -6.170
  447   2HD2  LEU  60          2HD2      LEU  60   6.010  -5.290  -7.394
  448   3HD2  LEU  60          3HD2      LEU  60   5.618  -6.710  -6.424
  449    H    GLU  61           H        GLU  61   1.281  -7.803 -10.446
  450    HA   GLU  61           HA       GLU  61   0.958 -10.333  -9.192
  451   1HB   GLU  61          2HB       GLU  61   0.045  -9.855 -11.430
  452   2HB   GLU  61          1HB       GLU  61   1.677  -9.686 -12.062
  453   1HG   GLU  61          2HG       GLU  61   2.112 -12.042 -11.467
  454   2HG   GLU  61          1HG       GLU  61   0.435 -12.190 -10.947
  455    H    THR  62           H        THR  62   2.701 -10.664  -7.823
  456    HA   THR  62           HA       THR  62   5.279 -11.136  -9.168
  457    HB   THR  62           HB       THR  62   5.491  -9.149  -7.844
  458    HG1  THR  62           1HG      THR  62   7.282  -9.785  -6.957
  459   1HG2  THR  62          1HG2      THR  62   4.500  -8.745  -5.906
  460   2HG2  THR  62          2HG2      THR  62   5.043 -10.275  -5.217
  461   3HG2  THR  62          3HG2      THR  62   3.573 -10.218  -6.190
  462    H    SER  63           H        SER  63   6.535 -12.835  -8.471
  463    HA   SER  63           HA       SER  63   5.162 -14.835  -6.806
  464   1HB   SER  63          2HB       SER  63   7.276 -15.244  -8.942
  465   2HB   SER  63          1HB       SER  63   6.527 -16.523  -7.988
  466    HG   SER  63           HG       SER  63   4.555 -16.034  -8.946
  467    H    LEU  64           H        LEU  64   7.469 -12.547  -6.706
  468    HA   LEU  64           HA       LEU  64   9.725 -13.719  -5.559
  469   1HB   LEU  64          2HB       LEU  64   9.399 -11.332  -6.373
  470   2HB   LEU  64          1HB       LEU  64   8.596 -11.009  -4.852
  471    HG   LEU  64           HG       LEU  64  10.996 -10.274  -4.995
  472   1HD1  LEU  64          1HD1      LEU  64  11.313 -10.563  -2.766
  473   2HD1  LEU  64          2HD1      LEU  64  10.855 -12.266  -2.806
  474   3HD1  LEU  64          3HD1      LEU  64   9.612 -11.017  -2.873
  475   1HD2  LEU  64          1HD2      LEU  64  12.743 -11.927  -4.768
  476   2HD2  LEU  64          2HD2      LEU  64  11.826 -12.226  -6.245
  477   3HD2  LEU  64          3HD2      LEU  64  11.557 -13.230  -4.821
  478    H    ALA  65           H        ALA  65  10.337 -14.120  -3.442
  479    HA   ALA  65           HA       ALA  65   8.654 -15.331  -1.710
  480   1HB   ALA  65          1HB       ALA  65  11.291 -14.786  -1.671
  481   2HB   ALA  65          2HB       ALA  65  10.411 -15.472  -0.304
  482   3HB   ALA  65          3HB       ALA  65  10.737 -13.741  -0.364
  483    HA   PRO  66           HA       PRO  66   5.872 -12.259  -0.128
  484   1HB   PRO  66          2HB       PRO  66   5.753 -13.999   2.268
  485   2HB   PRO  66          1HB       PRO  66   4.450 -13.449   1.212
  486   1HG   PRO  66          2HG       PRO  66   5.313 -15.974   1.131
  487   2HG   PRO  66          1HG       PRO  66   4.826 -15.121  -0.346
  488   1HD   PRO  66          2HD       PRO  66   7.571 -15.710   0.688
  489   2HD   PRO  66          1HD       PRO  66   6.961 -15.748  -0.980
  490    H    GLU  67           H        GLU  67   8.669 -13.391   1.587
  491    HA   GLU  67           HA       GLU  67   8.476 -11.350   3.633
  492   1HB   GLU  67          2HB       GLU  67  10.618 -12.329   4.437
  493   2HB   GLU  67          1HB       GLU  67   9.297 -13.483   4.333
  494   1HG   GLU  67          2HG       GLU  67  10.194 -14.293   2.197
  495   2HG   GLU  67          1HG       GLU  67  11.538 -13.163   2.349
  496    H    GLU  68           H        GLU  68  10.321 -11.940   0.698
  497    HA   GLU  68           HA       GLU  68  11.996  -9.620   1.217
  498   1HB   GLU  68          2HB       GLU  68  13.000 -11.656   0.267
  499   2HB   GLU  68          1HB       GLU  68  11.971 -11.496  -1.150
  500   1HG   GLU  68          2HG       GLU  68  13.040  -9.389  -1.714
  501   2HG   GLU  68          1HG       GLU  68  14.044  -9.499  -0.270
  502    H    LEU  69           H        LEU  69   9.096 -10.371  -0.469
  503    HA   LEU  69           HA       LEU  69   9.147  -8.553  -2.576
  504   1HB   LEU  69          2HB       LEU  69   7.367 -10.301  -2.012
  505   2HB   LEU  69          1HB       LEU  69   6.698  -9.116  -0.911
  506    HG   LEU  69           HG       LEU  69   5.524  -9.209  -3.093
  507   1HD1  LEU  69          1HD1      LEU  69   6.728  -6.529  -3.176
  508   2HD1  LEU  69          2HD1      LEU  69   6.079  -7.026  -1.614
  509   3HD1  LEU  69          3HD1      LEU  69   5.039  -7.017  -3.039
  510   1HD2  LEU  69          1HD2      LEU  69   7.063  -9.692  -4.727
  511   2HD2  LEU  69          2HD2      LEU  69   8.257  -8.560  -4.091
  512   3HD2  LEU  69          3HD2      LEU  69   6.846  -7.958  -4.961
  513    H    LEU  70           H        LEU  70   7.647  -8.034   0.624
  514    HA   LEU  70           HA       LEU  70   7.235  -5.286   0.336
  515   1HB   LEU  70          2HB       LEU  70   6.190  -6.630   2.097
  516   2HB   LEU  70          1HB       LEU  70   7.751  -6.897   2.842
  517    HG   LEU  70           HG       LEU  70   6.674  -4.109   2.543
  518   1HD1  LEU  70          1HD1      LEU  70   5.027  -4.482   3.981
  519   2HD1  LEU  70          2HD1      LEU  70   6.195  -5.072   5.163
  520   3HD1  LEU  70          3HD1      LEU  70   5.443  -6.196   4.031
  521   1HD2  LEU  70          1HD2      LEU  70   8.031  -3.771   4.587
  522   2HD2  LEU  70          2HD2      LEU  70   8.989  -4.307   3.207
  523   3HD2  LEU  70          3HD2      LEU  70   8.560  -5.449   4.479
  524    H    ASN  71           H        ASN  71  10.023  -7.141   1.365
  525    HA   ASN  71           HA       ASN  71  11.598  -5.077   2.398
  526   1HB   ASN  71          2HB       ASN  71  12.086  -7.528   2.574
  527   2HB   ASN  71          1HB       ASN  71  12.578  -7.505   0.884
  528   1HD2  ASN  71          1HD2      ASN  71  13.657  -7.346   3.979
  529   2HD2  ASN  71          2HD2      ASN  71  15.183  -6.581   3.714
  530    H    HIS  72           H        HIS  72  10.933  -6.079  -0.888
  531    HA   HIS  72           HA       HIS  72  12.972  -4.500  -2.124
  532   1HB   HIS  72          2HB       HIS  72  10.450  -5.778  -3.183
  533   2HB   HIS  72          1HB       HIS  72  11.540  -4.845  -4.200
  534    HD1  HIS  72           1HD      HIS  72  14.225  -5.844  -3.673
  535    HD2  HIS  72           2HD      HIS  72  10.939  -8.384  -3.597
  536    HE1  HIS  72           1HE      HIS  72  15.146  -8.146  -4.079
  537    HE2  HIS  72           2HE      HIS  72  13.139  -9.669  -4.040
  538    H    THR  73           H        THR  73   9.468  -4.138  -1.735
  539    HA   THR  73           HA       THR  73   9.168  -1.666  -2.958
  540    HB   THR  73           HB       THR  73   7.087  -1.471  -1.697
  541    HG1  THR  73           1HG      THR  73   7.611  -2.107   0.330
  542   1HG2  THR  73          1HG2      THR  73   6.309  -3.975  -1.967
  543   2HG2  THR  73          2HG2      THR  73   7.822  -4.090  -2.865
  544   3HG2  THR  73          3HG2      THR  73   6.589  -2.929  -3.359
  545    H    GLN  74           H        GLN  74  10.554  -2.471   0.096
  546    HA   GLN  74           HA       GLN  74  10.269   0.101   1.306
  547   1HB   GLN  74          2HB       GLN  74  12.084  -2.229   1.931
  548   2HB   GLN  74          1HB       GLN  74  12.015  -0.761   2.897
  549   1HG   GLN  74          2HG       GLN  74   9.722  -2.642   2.393
  550   2HG   GLN  74          1HG       GLN  74  10.682  -2.549   3.870
  551   1HE2  GLN  74          1HE2      GLN  74   7.911  -1.538   2.368
  552   2HE2  GLN  74          2HE2      GLN  74   7.525  -0.187   3.373
  553    H    ARG  75           H        ARG  75  12.917  -1.556  -0.395
  554    HA   ARG  75           HA       ARG  75  14.749   0.578  -0.084
  555   1HB   ARG  75          2HB       ARG  75  16.183  -0.598  -1.560
  556   2HB   ARG  75          1HB       ARG  75  15.337  -1.814  -0.617
  557   1HG   ARG  75          2HG       ARG  75  14.986  -2.797  -2.585
  558   2HG   ARG  75          1HG       ARG  75  13.721  -1.584  -2.793
  559   1HD   ARG  75          2HD       ARG  75  15.215  -1.728  -4.743
  560   2HD   ARG  75          1HD       ARG  75  15.248  -0.138  -3.981
  561    HE   ARG  75           HE       ARG  75  17.479  -0.445  -3.685
  562   1HH1  ARG  75          1HH1      ARG  75  15.978  -3.592  -3.783
  563   2HH1  ARG  75          2HH1      ARG  75  17.470  -4.448  -3.580
  564   1HH2  ARG  75          1HH2      ARG  75  19.443  -1.569  -3.422
  565   2HH2  ARG  75          2HH2      ARG  75  19.436  -3.301  -3.372
  566    H    ILE  76           H        ILE  76  11.988   0.253  -1.981
  567    HA   ILE  76           HA       ILE  76  12.780   1.817  -4.238
  568    HB   ILE  76           HB       ILE  76  10.016   1.297  -3.120
  569   1HG1  ILE  76          2HG1      ILE  76  11.527  -0.005  -5.397
  570   2HG1  ILE  76          1HG1      ILE  76  11.179  -0.742  -3.837
  571   1HG2  ILE  76          1HG2      ILE  76  10.678   2.234  -5.899
  572   2HG2  ILE  76          2HG2      ILE  76  10.310   3.352  -4.586
  573   3HG2  ILE  76          3HG2      ILE  76   9.103   2.176  -5.108
  574   1HD1  ILE  76          1HD1      ILE  76   9.718  -1.383  -5.827
  575   2HD1  ILE  76          2HD1      ILE  76   8.984   0.210  -5.637
  576   3HD1  ILE  76          3HD1      ILE  76   8.910  -0.958  -4.317
  577    H    GLU  77           H        GLU  77  11.538   2.441  -1.045
  578    HA   GLU  77           HA       GLU  77  10.796   5.146  -1.367
  579   1HB   GLU  77          2HB       GLU  77  11.858   3.792   1.122
  580   2HB   GLU  77          1HB       GLU  77  10.910   5.271   1.064
  581   1HG   GLU  77          2HG       GLU  77   8.996   4.042   0.231
  582   2HG   GLU  77          1HG       GLU  77   9.942   2.555   0.202
  583    H    LEU  78           H        LEU  78  13.811   3.519  -0.632
  584    HA   LEU  78           HA       LEU  78  15.318   5.856  -0.032
  585   1HB   LEU  78          2HB       LEU  78  16.270   3.153  -0.995
  586   2HB   LEU  78          1HB       LEU  78  17.274   4.395  -0.270
  587    HG   LEU  78           HG       LEU  78  15.035   2.933   1.134
  588   1HD1  LEU  78          1HD1      LEU  78  16.989   1.517   0.619
  589   2HD1  LEU  78          2HD1      LEU  78  16.772   1.783   2.349
  590   3HD1  LEU  78          3HD1      LEU  78  18.018   2.669   1.470
  591   1HD2  LEU  78          1HD2      LEU  78  16.150   5.412   1.716
  592   2HD2  LEU  78          2HD2      LEU  78  16.979   4.287   2.792
  593   3HD2  LEU  78          3HD2      LEU  78  15.219   4.389   2.809
  594    H    GLN  79           H        GLN  79  14.824   3.904  -2.936
  595    HA   GLN  79           HA       GLN  79  16.626   5.301  -4.599
  596   1HB   GLN  79          2HB       GLN  79  14.157   3.700  -5.291
  597   2HB   GLN  79          1HB       GLN  79  15.323   4.283  -6.470
  598   1HG   GLN  79          2HG       GLN  79  17.069   2.944  -5.393
  599   2HG   GLN  79          1HG       GLN  79  15.883   2.347  -4.233
  600   1HE2  GLN  79          1HE2      GLN  79  14.119   2.624  -6.914
  601   2HE2  GLN  79          2HE2      GLN  79  14.350   1.063  -7.612
  602    H    GLN  80           H        GLN  80  13.353   5.909  -3.593
  603    HA   GLN  80           HA       GLN  80  12.813   7.880  -5.612
  604   1HB   GLN  80          2HB       GLN  80  11.023   6.548  -4.518
  605   2HB   GLN  80          1HB       GLN  80  11.373   7.365  -3.001
  606   1HG   GLN  80          2HG       GLN  80   9.445   8.362  -4.014
  607   2HG   GLN  80          1HG       GLN  80  10.779   9.511  -4.049
  608   1HE2  GLN  80          1HE2      GLN  80  11.213   7.046  -6.301
  609   2HE2  GLN  80          2HE2      GLN  80  10.643   7.883  -7.698
  610    H    GLY  81           H        GLY  81  14.596   7.810  -2.756
  611   1HA   GLY  81          2HA       GLY  81  15.857   9.475  -1.776
  612   2HA   GLY  81          1HA       GLY  81  15.184  10.611  -2.933
  613    H    ARG  82           H        ARG  82  13.577   8.563  -0.509
  614    HA   ARG  82           HA       ARG  82  11.768  10.557   0.281
  615   1HB   ARG  82          2HB       ARG  82  11.240   9.107   2.172
  616   2HB   ARG  82          1HB       ARG  82  11.389   8.162   0.696
  617   1HG   ARG  82          2HG       ARG  82  13.547   7.370   1.341
  618   2HG   ARG  82          1HG       ARG  82  13.587   8.462   2.727
  619   1HD   ARG  82          2HD       ARG  82  11.644   7.283   3.678
  620   2HD   ARG  82          1HD       ARG  82  11.675   6.167   2.313
  621    HE   ARG  82           HE       ARG  82  14.198   6.098   3.436
  622   1HH1  ARG  82          1HH1      ARG  82  10.938   5.404   4.448
  623   2HH1  ARG  82          2HH1      ARG  82  11.411   4.160   5.555
  624   1HH2  ARG  82          1HH2      ARG  82  14.828   4.466   4.892
  625   2HH2  ARG  82          2HH2      ARG  82  13.622   3.628   5.810
  626    H    VAL  83           H        VAL  83  11.624  11.481   2.519
  627    HA   VAL  83           HA       VAL  83  14.296  12.370   3.384
  628    HB   VAL  83           HB       VAL  83  11.677  13.830   3.745
  629   1HG1  VAL  83          1HG1      VAL  83  14.383  14.226   4.758
  630   2HG1  VAL  83          2HG1      VAL  83  12.855  14.923   5.298
  631   3HG1  VAL  83          3HG1      VAL  83  13.726  15.646   3.944
  632   1HG2  VAL  83          1HG2      VAL  83  13.661  13.818   1.551
  633   2HG2  VAL  83          2HG2      VAL  83  13.047  15.391   2.061
  634   3HG2  VAL  83          3HG2      VAL  83  11.927  14.143   1.513
  635    H    ARG  84           H        ARG  84  14.316  10.384   4.698
  636    HA   ARG  84           HA       ARG  84  12.506   9.857   6.762
  637   1HB   ARG  84          2HB       ARG  84  15.376   9.263   7.252
  638   2HB   ARG  84          1HB       ARG  84  13.964   8.239   7.464
  639   1HG   ARG  84          2HG       ARG  84  14.772   7.184   5.666
  640   2HG   ARG  84          1HG       ARG  84  13.978   8.490   4.784
  641   1HD   ARG  84          2HD       ARG  84  16.884   8.235   5.519
  642   2HD   ARG  84          1HD       ARG  84  16.175   8.312   3.910
  643    HE   ARG  84           HE       ARG  84  16.028  10.615   4.102
  644   1HH1  ARG  84          1HH1      ARG  84  17.094   9.210   7.111
  645   2HH1  ARG  84          2HH1      ARG  84  17.525  10.732   7.815
  646   1HH2  ARG  84          1HH2      ARG  84  16.596  12.619   5.026
  647   2HH2  ARG  84          2HH2      ARG  84  17.241  12.666   6.632
  648    H    LYS  85           H        LYS  85  12.404  10.444   8.898
  649    HA   LYS  85           HA       LYS  85  14.336  11.920  10.281
  650   1HB   LYS  85          2HB       LYS  85  13.152  14.135  10.331
  651   2HB   LYS  85          1HB       LYS  85  13.923  13.741   8.801
  652   1HG   LYS  85          2HG       LYS  85  11.672  12.945   8.000
  653   2HG   LYS  85          1HG       LYS  85  10.994  13.659   9.466
  654   1HD   LYS  85          2HD       LYS  85  12.572  15.125   7.353
  655   2HD   LYS  85          1HD       LYS  85  10.821  15.187   7.562
  656   1HE   LYS  85          2HE       LYS  85  11.113  16.168   9.776
  657   2HE   LYS  85          1HE       LYS  85  12.864  16.070   9.600
  658   1HZ   LYS  85          1HZ       LYS  85  11.006  17.728   7.985
  659   2HZ   LYS  85          2HZ       LYS  85  12.657  17.557   7.657
  660   3HZ   LYS  85          3HZ       LYS  85  12.154  18.280   9.101
  661    H    ALA  86           H        ALA  86  10.815  11.649   9.862
  662    HA   ALA  86           HA       ALA  86  10.603  10.657  12.579
  663   1HB   ALA  86          1HB       ALA  86   8.551  12.622  12.314
  664   2HB   ALA  86          2HB       ALA  86  10.119  13.378  12.028
  665   3HB   ALA  86          3HB       ALA  86   9.823  12.500  13.529
  666    H    GLU  87           H        GLU  87  10.146   8.883  10.935
  667    HA   GLU  87           HA       GLU  87   7.303   8.939  10.174
  668   1HB   GLU  87          2HB       GLU  87   8.756   8.640   8.249
  669   2HB   GLU  87          1HB       GLU  87   9.565   7.290   9.037
  670   1HG   GLU  87          2HG       GLU  87   7.397   6.082   9.057
  671   2HG   GLU  87          1HG       GLU  87   6.708   7.399   8.108
  672    H    ARG  88           H        ARG  88   6.188   8.026  11.773
  673    HA   ARG  88           HA       ARG  88   7.138   5.430  12.785
  674   1HB   ARG  88          2HB       ARG  88   7.411   7.049  14.542
  675   2HB   ARG  88          1HB       ARG  88   5.786   7.671  14.291
  676   1HG   ARG  88          2HG       ARG  88   5.811   6.308  16.260
  677   2HG   ARG  88          1HG       ARG  88   4.883   5.484  15.005
  678   1HD   ARG  88          2HD       ARG  88   6.355   3.934  16.184
  679   2HD   ARG  88          1HD       ARG  88   6.808   4.084  14.487
  680    HE   ARG  88           HE       ARG  88   8.850   4.757  15.211
  681   1HH1  ARG  88          1HH1      ARG  88   6.504   5.625  17.642
  682   2HH1  ARG  88          2HH1      ARG  88   7.678   6.327  18.704
  683   1HH2  ARG  88          1HH2      ARG  88  10.395   5.675  16.608
  684   2HH2  ARG  88          2HH2      ARG  88   9.885   6.358  18.115
  685    H    TRP  89           H        TRP  89   4.383   7.456  11.966
  686    HA   TRP  89           HA       TRP  89   2.772   5.015  11.691
  687   1HB   TRP  89          2HB       TRP  89   2.473   6.617  13.817
  688   2HB   TRP  89          1HB       TRP  89   1.430   7.467  12.685
  689    HD1  TRP  89           HD       TRP  89   1.605   3.646  12.614
  690    HE1  TRP  89           1HE      TRP  89  -0.657   2.714  13.416
  691    HE3  TRP  89           3HE      TRP  89  -0.567   8.008  14.134
  692    HZ2  TRP  89           2HZ      TRP  89  -3.044   3.703  14.550
  693    HZ3  TRP  89           3HZ      TRP  89  -2.839   7.932  15.070
  694    HH2  TRP  89           HH       TRP  89  -4.052   5.823  15.271
  695    H    GLY  90           H        GLY  90   3.420   8.321  10.749
  696   1HA   GLY  90          2HA       GLY  90   1.400   8.182   8.632
  697   2HA   GLY  90          1HA       GLY  90   2.288   9.618   9.120
  698    HA   PRO  91           HA       PRO  91   4.020   7.187   5.232
  699   1HB   PRO  91          2HB       PRO  91   2.959   9.664   3.949
  700   2HB   PRO  91          1HB       PRO  91   3.026   8.012   3.320
  701   1HG   PRO  91          2HG       PRO  91   0.731   9.029   4.189
  702   2HG   PRO  91          1HG       PRO  91   1.156   7.339   4.521
  703   1HD   PRO  91          2HD       PRO  91   1.204   9.701   6.342
  704   2HD   PRO  91          1HD       PRO  91   0.796   8.010   6.694
  705    H    ARG  92           H        ARG  92   3.806  10.691   5.781
  706    HA   ARG  92           HA       ARG  92   5.371  12.283   6.151
  707   1HB   ARG  92          2HB       ARG  92   6.476  10.552   7.574
  708   2HB   ARG  92          1HB       ARG  92   7.427  10.071   6.181
  709   1HG   ARG  92          2HG       ARG  92   7.459  12.910   7.098
  710   2HG   ARG  92          1HG       ARG  92   8.419  11.697   7.940
  711   1HD   ARG  92          2HD       ARG  92   8.574  12.095   4.965
  712   2HD   ARG  92          1HD       ARG  92   9.566  13.018   6.090
  713    HE   ARG  92           HE       ARG  92  10.839  11.142   6.476
  714   1HH1  ARG  92          1HH1      ARG  92   8.034  10.268   4.608
  715   2HH1  ARG  92          2HH1      ARG  92   8.572   8.648   4.327
  716   1HH2  ARG  92          1HH2      ARG  92  11.551   9.020   6.100
  717   2HH2  ARG  92          2HH2      ARG  92  10.569   7.943   5.167
  718    H    THR  93           H        THR  93   6.213   9.855   3.710
  719    HA   THR  93           HA       THR  93   6.512  11.909   1.737
  720    HB   THR  93           HB       THR  93   8.963  10.311   2.510
  721    HG1  THR  93           1HG      THR  93   8.516  13.107   2.572
  722   1HG2  THR  93          1HG2      THR  93   9.450  10.539   0.330
  723   2HG2  THR  93          2HG2      THR  93   9.887  12.173   0.825
  724   3HG2  THR  93          3HG2      THR  93   8.310  11.865   0.102
  725    H    LEU  94           H        LEU  94   7.369   8.540   2.483
  726    HA   LEU  94           HA       LEU  94   5.653   7.513   0.455
  727   1HB   LEU  94          2HB       LEU  94   7.397   8.282  -1.019
  728   2HB   LEU  94          1HB       LEU  94   8.628   7.509  -0.040
  729    HG   LEU  94           HG       LEU  94   7.623   5.297  -0.642
  730   1HD1  LEU  94          1HD1      LEU  94   5.923   7.059  -2.381
  731   2HD1  LEU  94          2HD1      LEU  94   5.409   5.825  -1.230
  732   3HD1  LEU  94          3HD1      LEU  94   6.196   5.353  -2.737
  733   1HD2  LEU  94          1HD2      LEU  94   8.221   6.144  -3.290
  734   2HD2  LEU  94          2HD2      LEU  94   9.244   5.267  -2.152
  735   3HD2  LEU  94          3HD2      LEU  94   9.257   7.030  -2.171
  736    H    ASP  95           H        ASP  95   4.965   5.631   1.218
  737    HA   ASP  95           HA       ASP  95   6.831   3.725   2.323
  738   1HB   ASP  95          2HB       ASP  95   5.779   3.439   4.453
  739   2HB   ASP  95          1HB       ASP  95   6.140   5.150   4.275
  740    H    LEU  96           H        LEU  96   6.383   2.061   1.080
  741    HA   LEU  96           HA       LEU  96   3.562   1.353   0.651
  742   1HB   LEU  96          2HB       LEU  96   4.307   0.245  -1.442
  743   2HB   LEU  96          1HB       LEU  96   4.518   1.981  -1.443
  744    HG   LEU  96           HG       LEU  96   6.778   0.063  -0.870
  745   1HD1  LEU  96          1HD1      LEU  96   5.437   0.516  -3.338
  746   2HD1  LEU  96          2HD1      LEU  96   6.883  -0.444  -3.027
  747   3HD1  LEU  96          3HD1      LEU  96   7.030   1.268  -3.422
  748   1HD2  LEU  96          1HD2      LEU  96   6.519   2.863  -0.658
  749   2HD2  LEU  96          2HD2      LEU  96   7.510   2.548  -2.083
  750   3HD2  LEU  96          3HD2      LEU  96   7.987   1.894  -0.515
  751    H    ASP  97           H        ASP  97   3.095  -0.171   2.087
  752    HA   ASP  97           HA       ASP  97   4.982  -2.410   2.426
  753   1HB   ASP  97          2HB       ASP  97   2.811  -1.471   4.315
  754   2HB   ASP  97          1HB       ASP  97   3.947  -2.783   4.614
  755    H    ILE  98           H        ILE  98   3.943  -4.521   2.920
  756    HA   ILE  98           HA       ILE  98   1.937  -5.103   0.948
  757    HB   ILE  98           HB       ILE  98   3.345  -6.853   2.963
  758   1HG1  ILE  98          2HG1      ILE  98   4.749  -6.020   1.135
  759   2HG1  ILE  98          1HG1      ILE  98   4.486  -7.754   0.984
  760   1HG2  ILE  98          1HG2      ILE  98   1.017  -7.405   1.260
  761   2HG2  ILE  98          2HG2      ILE  98   1.579  -8.219   2.721
  762   3HG2  ILE  98          3HG2      ILE  98   2.316  -8.595   1.163
  763   1HD1  ILE  98          1HD1      ILE  98   2.533  -6.143  -0.467
  764   2HD1  ILE  98          2HD1      ILE  98   3.479  -7.535  -0.993
  765   3HD1  ILE  98          3HD1      ILE  98   4.195  -5.924  -1.014
  766    H    MET  99           H        MET  99  -0.105  -4.560   1.370
  767    HA   MET  99           HA       MET  99  -1.172  -4.761   4.072
  768   1HB   MET  99          2HB       MET  99  -2.558  -3.866   1.535
  769   2HB   MET  99          1HB       MET  99  -3.137  -3.644   3.182
  770   1HG   MET  99          2HG       MET  99  -0.718  -2.368   1.929
  771   2HG   MET  99          1HG       MET  99  -2.235  -1.579   2.357
  772   1HE   MET  99          1HE       MET  99  -0.579   0.145   3.312
  773   2HE   MET  99          2HE       MET  99   0.948  -0.719   3.493
  774   3HE   MET  99          3HE       MET  99   0.181   0.021   4.898
  775    H    LEU 100           H        LEU 100  -1.128  -6.452   1.101
  776    HA   LEU 100           HA       LEU 100  -2.492  -8.712   2.228
  777   1HB   LEU 100          2HB       LEU 100  -3.752  -7.072   0.055
  778   2HB   LEU 100          1HB       LEU 100  -4.015  -8.803   0.113
  779    HG   LEU 100           HG       LEU 100  -4.721  -6.857   2.312
  780   1HD1  LEU 100          1HD1      LEU 100  -6.599  -6.485   1.194
  781   2HD1  LEU 100          2HD1      LEU 100  -6.975  -8.206   1.294
  782   3HD1  LEU 100          3HD1      LEU 100  -6.084  -7.577  -0.093
  783   1HD2  LEU 100          1HD2      LEU 100  -5.954  -9.475   2.382
  784   2HD2  LEU 100          2HD2      LEU 100  -5.097  -8.596   3.649
  785   3HD2  LEU 100          3HD2      LEU 100  -4.197  -9.573   2.488
  786    H    PHE 101           H        PHE 101  -1.709 -10.562   1.364
  787    HA   PHE 101           HA       PHE 101  -0.477 -10.511  -1.273
  788   1HB   PHE 101          2HB       PHE 101   1.270  -9.890   0.481
  789   2HB   PHE 101          1HB       PHE 101   1.103 -11.534   1.085
  790    HD1  PHE 101           1HD      PHE 101   2.631 -13.073   0.329
  791    HD2  PHE 101           2HD      PHE 101   1.613  -9.783  -2.171
  792    HE1  PHE 101           1HE      PHE 101   4.272 -13.834  -1.339
  793    HE2  PHE 101           2HE      PHE 101   3.251 -10.541  -3.843
  794    HZ   PHE 101           HZ       PHE 101   4.583 -12.569  -3.428
  795    H    GLY 102           H        GLY 102  -1.637 -12.086  -2.191
  796   1HA   GLY 102          2HA       GLY 102  -2.639 -14.123  -2.544
  797   2HA   GLY 102          1HA       GLY 102  -1.215 -14.768  -1.744
  798    H    ASN 103           H        ASN 103  -1.577 -15.952   0.001
  799    HA   ASN 103           HA       ASN 103  -3.830 -15.298   1.742
  800   1HB   ASN 103          2HB       ASN 103  -4.502 -17.688   1.845
  801   2HB   ASN 103          1HB       ASN 103  -4.744 -16.974   0.253
  802   1HD2  ASN 103          1HD2      ASN 103  -3.630 -19.617   1.840
  803   2HD2  ASN 103          2HD2      ASN 103  -2.585 -20.265   0.628
  804    H    GLU 104           H        GLU 104  -0.661 -16.480   1.265
  805    HA   GLU 104           HA       GLU 104  -0.245 -17.911   3.635
  806   1HB   GLU 104          2HB       GLU 104   2.121 -17.540   3.307
  807   2HB   GLU 104          1HB       GLU 104   1.366 -17.877   1.758
  808   1HG   GLU 104          2HG       GLU 104   1.732 -15.043   2.589
  809   2HG   GLU 104          1HG       GLU 104   3.130 -15.960   2.034
  810    H    VAL 105           H        VAL 105   0.819 -17.279   5.590
  811    HA   VAL 105           HA       VAL 105   0.568 -14.425   6.236
  812    HB   VAL 105           HB       VAL 105  -1.385 -15.497   7.168
  813   1HG1  VAL 105          1HG1      VAL 105   0.299 -17.692   7.560
  814   2HG1  VAL 105          2HG1      VAL 105  -1.412 -17.562   7.968
  815   3HG1  VAL 105          3HG1      VAL 105  -0.185 -17.165   9.172
  816   1HG2  VAL 105          1HG2      VAL 105  -1.245 -14.696   9.360
  817   2HG2  VAL 105          2HG2      VAL 105  -0.062 -13.745   8.463
  818   3HG2  VAL 105          3HG2      VAL 105   0.471 -15.080   9.486
  819    H    ILE 106           H        ILE 106   2.756 -14.084   6.105
  820    HA   ILE 106           HA       ILE 106   4.400 -15.447   8.141
  821    HB   ILE 106           HB       ILE 106   5.381 -14.332   5.510
  822   1HG1  ILE 106          2HG1      ILE 106   4.991 -17.223   6.320
  823   2HG1  ILE 106          1HG1      ILE 106   3.931 -16.334   5.231
  824   1HG2  ILE 106          1HG2      ILE 106   7.323 -14.338   6.627
  825   2HG2  ILE 106          2HG2      ILE 106   7.261 -16.088   6.418
  826   3HG2  ILE 106          3HG2      ILE 106   6.687 -15.358   7.918
  827   1HD1  ILE 106          1HD1      ILE 106   5.197 -17.052   3.567
  828   2HD1  ILE 106          2HD1      ILE 106   6.403 -17.692   4.683
  829   3HD1  ILE 106          3HD1      ILE 106   6.481 -16.005   4.173
  830    H    ASN 107           H        ASN 107   5.755 -14.182   9.391
  831    HA   ASN 107           HA       ASN 107   5.757 -11.290   8.885
  832   1HB   ASN 107          2HB       ASN 107   5.168 -12.582  11.558
  833   2HB   ASN 107          1HB       ASN 107   5.393 -10.857  11.292
  834   1HD2  ASN 107          1HD2      ASN 107   3.613  -9.728  11.075
  835   2HD2  ASN 107          2HD2      ASN 107   2.086 -10.322  10.528
  836    H    THR 108           H        THR 108   7.859 -10.976   8.437
  837    HA   THR 108           HA       THR 108   9.895 -12.293  10.066
  838    HB   THR 108           HB       THR 108  11.492 -11.386   8.405
  839    HG1  THR 108           1HG      THR 108  10.839  -9.725   7.330
  840   1HG2  THR 108          1HG2      THR 108   9.909 -13.503   8.021
  841   2HG2  THR 108          2HG2      THR 108  11.121 -12.970   6.854
  842   3HG2  THR 108          3HG2      THR 108   9.429 -12.520   6.637
  843    H    GLU 109           H        GLU 109  11.703  -9.891   9.299
  844    HA   GLU 109           HA       GLU 109  11.103  -8.420  11.732
  845   1HB   GLU 109          2HB       GLU 109  13.308  -7.302  11.310
  846   2HB   GLU 109          1HB       GLU 109  13.390  -9.041  11.543
  847   1HG   GLU 109          2HG       GLU 109  13.274  -7.868   8.796
  848   2HG   GLU 109          1HG       GLU 109  14.794  -7.959   9.685
  849    H    ARG 110           H        ARG 110  11.453  -7.771   8.260
  850    HA   ARG 110           HA       ARG 110  10.384  -5.074   8.744
  851   1HB   ARG 110          2HB       ARG 110  11.651  -6.051   6.190
  852   2HB   ARG 110          1HB       ARG 110  11.357  -4.388   6.685
  853   1HG   ARG 110          2HG       ARG 110  12.975  -4.780   8.570
  854   2HG   ARG 110          1HG       ARG 110  13.384  -6.310   7.792
  855   1HD   ARG 110          2HD       ARG 110  14.998  -4.762   7.052
  856   2HD   ARG 110          1HD       ARG 110  13.875  -4.963   5.709
  857    HE   ARG 110           HE       ARG 110  13.468  -2.734   5.851
  858   1HH1  ARG 110          1HH1      ARG 110  14.475  -3.848   8.999
  859   2HH1  ARG 110          2HH1      ARG 110  14.388  -2.276   9.722
  860   1HH2  ARG 110          1HH2      ARG 110  13.360  -0.664   6.799
  861   2HH2  ARG 110          2HH2      ARG 110  13.754  -0.471   8.474
  862    H    LEU 111           H        LEU 111   9.898  -8.035   6.913
  863    HA   LEU 111           HA       LEU 111   7.710  -7.073   5.366
  864   1HB   LEU 111          2HB       LEU 111   8.953  -8.963   4.574
  865   2HB   LEU 111          1HB       LEU 111   8.661  -9.851   6.053
  866    HG   LEU 111           HG       LEU 111   7.371 -10.574   3.982
  867   1HD1  LEU 111          1HD1      LEU 111   5.576  -9.885   6.280
  868   2HD1  LEU 111          2HD1      LEU 111   6.829 -11.120   6.403
  869   3HD1  LEU 111          3HD1      LEU 111   5.531 -11.296   5.223
  870   1HD2  LEU 111          1HD2      LEU 111   6.392  -7.844   4.266
  871   2HD2  LEU 111          2HD2      LEU 111   5.109  -9.047   4.135
  872   3HD2  LEU 111          3HD2      LEU 111   6.344  -8.933   2.880
  873    H    THR 112           H        THR 112   5.539  -7.216   5.704
  874    HA   THR 112           HA       THR 112   4.591  -8.424   8.190
  875    HB   THR 112           HB       THR 112   3.193  -6.404   8.643
  876    HG1  THR 112           1HG      THR 112   4.454  -4.506   7.497
  877   1HG2  THR 112          1HG2      THR 112   6.048  -6.594   9.016
  878   2HG2  THR 112          2HG2      THR 112   4.798  -6.015  10.117
  879   3HG2  THR 112          3HG2      THR 112   5.503  -4.919   8.929
  880    H    VAL 113           H        VAL 113   3.240  -9.915   7.429
  881    HA   VAL 113           HA       VAL 113   1.808  -9.822   5.019
  882    HB   VAL 113           HB       VAL 113   2.202 -11.662   7.088
  883   1HG1  VAL 113          1HG1      VAL 113   0.180 -12.405   7.928
  884   2HG1  VAL 113          2HG1      VAL 113  -0.761 -11.542   6.711
  885   3HG1  VAL 113          3HG1      VAL 113   0.022 -10.650   8.016
  886   1HG2  VAL 113          1HG2      VAL 113   1.423 -11.640   4.375
  887   2HG2  VAL 113          2HG2      VAL 113   0.339 -12.736   5.232
  888   3HG2  VAL 113          3HG2      VAL 113   2.084 -12.976   5.318
  889    HA   PRO 114           HA       PRO 114  -2.021  -7.487   5.178
  890   1HB   PRO 114          2HB       PRO 114  -3.219  -9.865   6.564
  891   2HB   PRO 114          1HB       PRO 114  -3.929  -8.818   5.328
  892   1HG   PRO 114          2HG       PRO 114  -2.693 -11.236   4.808
  893   2HG   PRO 114          1HG       PRO 114  -2.912  -9.937   3.625
  894   1HD   PRO 114          2HD       PRO 114  -0.454 -10.924   4.676
  895   2HD   PRO 114          1HD       PRO 114  -0.679  -9.529   3.604
  896    H    HIS 115           H        HIS 115  -0.939  -6.130   6.689
  897    HA   HIS 115           HA       HIS 115  -0.866  -6.498   9.458
  898   1HB   HIS 115          2HB       HIS 115   0.458  -4.833   8.123
  899   2HB   HIS 115          1HB       HIS 115  -1.001  -3.860   7.986
  900    HD1  HIS 115           1HD      HIS 115  -2.079  -3.491  10.636
  901    HD2  HIS 115           2HD      HIS 115   2.019  -3.873  10.076
  902    HE1  HIS 115           1HE      HIS 115  -1.023  -2.456  12.671
  903    HE2  HIS 115           2HE      HIS 115   1.457  -2.737  12.331
  904    H    TYR 116           H        TYR 116  -2.342  -6.325  11.005
  905    HA   TYR 116           HA       TYR 116  -5.073  -5.881  10.395
  906   1HB   TYR 116          2HB       TYR 116  -5.172  -5.760  13.036
  907   2HB   TYR 116          1HB       TYR 116  -4.891  -7.283  12.202
  908    HD1  TYR 116           1HD      TYR 116  -2.516  -4.488  12.954
  909    HD2  TYR 116           2HD      TYR 116  -3.585  -8.551  13.621
  910    HE1  TYR 116           1HE      TYR 116  -0.439  -4.820  14.224
  911    HE2  TYR 116           2HE      TYR 116  -1.511  -8.894  14.893
  912    HH   TYR 116           HH       TYR 116   1.059  -7.091  14.740
  913    H    ASP 117           H        ASP 117  -4.947  -3.835   9.372
  914    HA   ASP 117           HA       ASP 117  -5.630  -1.674  11.098
  915   1HB   ASP 117          2HB       ASP 117  -3.152  -1.582  11.256
  916   2HB   ASP 117          1HB       ASP 117  -3.061  -1.425   9.506
  917    H    MET 118           H        MET 118  -4.655  -2.795   7.918
  918    HA   MET 118           HA       MET 118  -5.778  -0.739   6.379
  919   1HB   MET 118          2HB       MET 118  -5.811  -2.552   4.566
  920   2HB   MET 118          1HB       MET 118  -4.258  -2.125   5.267
  921   1HG   MET 118          2HG       MET 118  -4.197  -4.433   5.167
  922   2HG   MET 118          1HG       MET 118  -4.640  -4.107   6.840
  923   1HE   MET 118          1HE       MET 118  -6.341  -6.025   3.443
  924   2HE   MET 118          2HE       MET 118  -6.005  -4.293   3.419
  925   3HE   MET 118          3HE       MET 118  -7.663  -4.869   3.594
  926    H    LYS 119           H        LYS 119  -7.209  -3.596   7.818
  927    HA   LYS 119           HA       LYS 119  -9.635  -3.496   6.332
  928   1HB   LYS 119          2HB       LYS 119 -10.490  -5.033   8.107
  929   2HB   LYS 119          1HB       LYS 119  -9.005  -5.571   7.334
  930   1HG   LYS 119          2HG       LYS 119  -7.708  -4.806   9.236
  931   2HG   LYS 119          1HG       LYS 119  -9.173  -4.195  10.008
  932   1HD   LYS 119          2HD       LYS 119  -8.537  -6.361  10.936
  933   2HD   LYS 119          1HD       LYS 119 -10.079  -6.469  10.085
  934   1HE   LYS 119          2HE       LYS 119  -8.642  -8.385   9.585
  935   2HE   LYS 119          1HE       LYS 119  -8.961  -7.420   8.144
  936   1HZ   LYS 119          1HZ       LYS 119  -6.569  -8.208   8.641
  937   2HZ   LYS 119          2HZ       LYS 119  -6.536  -6.918   9.734
  938   3HZ   LYS 119          3HZ       LYS 119  -6.817  -6.627   8.092
  939    H    ASN 120           H        ASN 120  -8.423  -1.549   8.813
  940    HA   ASN 120           HA       ASN 120 -11.141  -0.620   9.461
  941   1HB   ASN 120          2HB       ASN 120  -9.850   0.423  11.510
  942   2HB   ASN 120          1HB       ASN 120 -10.389  -1.253  11.538
  943   1HD2  ASN 120          1HD2      ASN 120  -7.857   0.741  12.148
  944   2HD2  ASN 120          2HD2      ASN 120  -6.565  -0.401  12.064
  945    H    ARG 121           H        ARG 121  -9.053   0.101   7.328
  946    HA   ARG 121           HA       ARG 121  -9.194   3.016   7.750
  947   1HB   ARG 121          2HB       ARG 121  -7.033   1.523   6.249
  948   2HB   ARG 121          1HB       ARG 121  -7.131   3.263   6.456
  949   1HG   ARG 121          2HG       ARG 121  -6.994   1.489   8.850
  950   2HG   ARG 121          1HG       ARG 121  -5.533   1.853   7.936
  951   1HD   ARG 121          2HD       ARG 121  -5.660   3.418   9.717
  952   2HD   ARG 121          1HD       ARG 121  -6.058   4.283   8.236
  953    HE   ARG 121           HE       ARG 121  -7.871   3.632  10.426
  954   1HH1  ARG 121          1HH1      ARG 121  -7.377   5.061   7.289
  955   2HH1  ARG 121          2HH1      ARG 121  -8.871   5.936   7.313
  956   1HH2  ARG 121          1HH2      ARG 121  -9.833   4.779  10.467
  957   2HH2  ARG 121          2HH2      ARG 121 -10.267   5.774   9.117
  958    H    GLY 122           H        GLY 122  -8.992   4.177   5.514
  959   1HA   GLY 122          2HA       GLY 122 -10.838   2.771   3.699
  960   2HA   GLY 122          1HA       GLY 122 -10.714   4.514   3.853
  961    H    PHE 123           H        PHE 123  -7.778   4.528   3.752
  962    HA   PHE 123           HA       PHE 123  -7.574   4.467   0.879
  963   1HB   PHE 123          2HB       PHE 123  -5.281   5.400   1.281
  964   2HB   PHE 123          1HB       PHE 123  -6.601   6.358   1.939
  965    HD1  PHE 123           1HD      PHE 123  -4.252   3.650   2.998
  966    HD2  PHE 123           2HD      PHE 123  -6.381   7.179   4.050
  967    HE1  PHE 123           1HE      PHE 123  -3.159   3.651   5.200
  968    HE2  PHE 123           2HE      PHE 123  -5.292   7.184   6.255
  969    HZ   PHE 123           HZ       PHE 123  -3.678   5.418   6.832
  970    H    MET 124           H        MET 124  -7.614   1.952   2.663
  971    HA   MET 124           HA       MET 124  -5.350   0.660   1.299
  972   1HB   MET 124          2HB       MET 124  -6.326   0.162   4.110
  973   2HB   MET 124          1HB       MET 124  -5.237  -0.922   3.255
  974   1HG   MET 124          2HG       MET 124  -3.621   0.921   3.033
  975   2HG   MET 124          1HG       MET 124  -4.705   1.953   3.964
  976   1HE   MET 124          1HE       MET 124  -1.965   1.831   4.573
  977   2HE   MET 124          2HE       MET 124  -1.447   0.948   6.008
  978   3HE   MET 124          3HE       MET 124  -2.582   2.289   6.160
  979    H    LEU 125           H        LEU 125  -8.671   0.591   2.247
  980    HA   LEU 125           HA       LEU 125  -9.040  -2.083   1.105
  981   1HB   LEU 125          2HB       LEU 125 -10.950  -0.276   2.591
  982   2HB   LEU 125          1HB       LEU 125 -11.368  -1.855   1.956
  983    HG   LEU 125           HG       LEU 125  -9.284  -1.344   4.078
  984   1HD1  LEU 125          1HD1      LEU 125 -11.194  -2.798   5.284
  985   2HD1  LEU 125          2HD1      LEU 125 -12.187  -1.850   4.177
  986   3HD1  LEU 125          3HD1      LEU 125 -11.133  -1.036   5.334
  987   1HD2  LEU 125          1HD2      LEU 125  -8.747  -3.311   2.803
  988   2HD2  LEU 125          2HD2      LEU 125 -10.409  -3.889   2.919
  989   3HD2  LEU 125          3HD2      LEU 125  -9.403  -3.805   4.365
  990    H    TRP 126           H        TRP 126 -10.242   1.233   0.798
  991    HA   TRP 126           HA       TRP 126 -11.950   0.845  -1.367
  992   1HB   TRP 126          2HB       TRP 126 -11.971   2.889  -0.043
  993   2HB   TRP 126          1HB       TRP 126 -10.355   3.298  -0.599
  994    HD1  TRP 126           HD       TRP 126 -10.731   5.418  -1.985
  995    HE1  TRP 126           1HE      TRP 126 -12.202   6.059  -3.993
  996    HE3  TRP 126           3HE      TRP 126 -13.589   1.182  -2.297
  997    HZ2  TRP 126           2HZ      TRP 126 -14.287   4.929  -5.511
  998    HZ3  TRP 126           3HZ      TRP 126 -15.299   1.048  -4.059
  999    HH2  TRP 126           HH       TRP 126 -15.640   2.885  -5.632
 1000    HA   PRO 127           HA       PRO 127  -8.213   2.013  -4.286
 1001   1HB   PRO 127          2HB       PRO 127  -5.903   1.166  -2.651
 1002   2HB   PRO 127          1HB       PRO 127  -6.099   2.601  -3.660
 1003   1HG   PRO 127          2HG       PRO 127  -6.117   2.769  -0.992
 1004   2HG   PRO 127          1HG       PRO 127  -7.167   3.793  -1.991
 1005   1HD   PRO 127          2HD       PRO 127  -7.845   1.323  -0.438
 1006   2HD   PRO 127          1HD       PRO 127  -8.771   2.829  -0.624
 1007    H    LEU 128           H        LEU 128  -7.479  -0.608  -1.975
 1008    HA   LEU 128           HA       LEU 128  -6.477  -2.447  -3.834
 1009   1HB   LEU 128          2HB       LEU 128  -7.536  -2.581  -1.078
 1010   2HB   LEU 128          1HB       LEU 128  -7.560  -4.083  -1.978
 1011    HG   LEU 128           HG       LEU 128  -5.122  -3.858  -2.368
 1012   1HD1  LEU 128          1HD1      LEU 128  -3.858  -2.130  -1.631
 1013   2HD1  LEU 128          2HD1      LEU 128  -4.908  -1.803  -0.251
 1014   3HD1  LEU 128          3HD1      LEU 128  -5.373  -1.258  -1.863
 1015   1HD2  LEU 128          1HD2      LEU 128  -6.146  -3.889   0.459
 1016   2HD2  LEU 128          2HD2      LEU 128  -4.473  -4.255   0.037
 1017   3HD2  LEU 128          3HD2      LEU 128  -5.781  -5.263  -0.585
 1018    H    PHE 129           H        PHE 129  -9.726  -1.533  -3.047
 1019    HA   PHE 129           HA       PHE 129 -11.125  -3.781  -3.958
 1020   1HB   PHE 129          2HB       PHE 129 -12.117  -1.885  -2.677
 1021   2HB   PHE 129          1HB       PHE 129 -12.000  -0.888  -4.123
 1022    HD1  PHE 129           1HD      PHE 129 -14.020  -0.540  -5.127
 1023    HD2  PHE 129           2HD      PHE 129 -13.236  -4.335  -3.369
 1024    HE1  PHE 129           1HE      PHE 129 -16.236  -1.328  -5.848
 1025    HE2  PHE 129           2HE      PHE 129 -15.448  -5.131  -4.090
 1026    HZ   PHE 129           HZ       PHE 129 -16.953  -3.627  -5.332
 1027    H    GLU 130           H        GLU 130  -9.367  -1.397  -5.670
 1028    HA   GLU 130           HA       GLU 130 -10.707  -1.912  -8.208
 1029   1HB   GLU 130          2HB       GLU 130  -8.579   0.008  -7.310
 1030   2HB   GLU 130          1HB       GLU 130  -8.885  -0.264  -9.018
 1031   1HG   GLU 130          2HG       GLU 130 -10.978   0.627  -7.052
 1032   2HG   GLU 130          1HG       GLU 130 -10.025   1.720  -8.056
 1033    H    ILE 131           H        ILE 131  -7.470  -2.227  -6.790
 1034    HA   ILE 131           HA       ILE 131  -6.213  -3.309  -9.032
 1035    HB   ILE 131           HB       ILE 131  -4.428  -3.988  -7.568
 1036   1HG1  ILE 131          2HG1      ILE 131  -6.303  -3.388  -5.265
 1037   2HG1  ILE 131          1HG1      ILE 131  -5.830  -5.004  -5.781
 1038   1HG2  ILE 131          1HG2      ILE 131  -5.763  -1.367  -7.173
 1039   2HG2  ILE 131          2HG2      ILE 131  -4.196  -1.745  -7.891
 1040   3HG2  ILE 131          3HG2      ILE 131  -4.389  -1.758  -6.137
 1041   1HD1  ILE 131          1HD1      ILE 131  -3.684  -4.772  -4.980
 1042   2HD1  ILE 131          2HD1      ILE 131  -4.627  -3.883  -3.783
 1043   3HD1  ILE 131          3HD1      ILE 131  -3.741  -3.010  -5.034
 1044    H    ALA 132           H        ALA 132  -7.881  -4.959  -6.361
 1045    HA   ALA 132           HA       ALA 132  -8.668  -7.144  -7.921
 1046   1HB   ALA 132          1HB       ALA 132  -6.939  -8.531  -7.957
 1047   2HB   ALA 132          2HB       ALA 132  -6.869  -8.518  -6.194
 1048   3HB   ALA 132          3HB       ALA 132  -5.960  -7.327  -7.123
 1049    HA   PRO 133           HA       PRO 133 -10.724  -6.889  -3.832
 1050   1HB   PRO 133          2HB       PRO 133 -13.248  -6.861  -4.708
 1051   2HB   PRO 133          1HB       PRO 133 -12.239  -5.410  -4.768
 1052   1HG   PRO 133          2HG       PRO 133 -12.939  -7.325  -6.958
 1053   2HG   PRO 133          1HG       PRO 133 -12.854  -5.555  -7.003
 1054   1HD   PRO 133          2HD       PRO 133 -10.860  -7.237  -7.896
 1055   2HD   PRO 133          1HD       PRO 133 -10.600  -5.561  -7.375
 1056    H    GLU 134           H        GLU 134 -10.297  -9.220  -6.108
 1057    HA   GLU 134           HA       GLU 134 -12.212 -11.132  -5.036
 1058   1HB   GLU 134          2HB       GLU 134 -11.263 -12.654  -6.766
 1059   2HB   GLU 134          1HB       GLU 134 -11.923 -11.162  -7.422
 1060   1HG   GLU 134          2HG       GLU 134  -9.688 -10.236  -7.625
 1061   2HG   GLU 134          1HG       GLU 134  -9.005 -11.699  -6.916
 1062    H    LEU 135           H        LEU 135  -9.692 -10.002  -3.641
 1063    HA   LEU 135           HA       LEU 135  -8.081 -12.359  -3.195
 1064   1HB   LEU 135          2HB       LEU 135  -7.167 -10.032  -3.181
 1065   2HB   LEU 135          1HB       LEU 135  -8.076  -9.722  -1.718
 1066    HG   LEU 135           HG       LEU 135  -5.621 -10.199  -1.410
 1067   1HD1  LEU 135          1HD1      LEU 135  -6.466 -12.263   0.268
 1068   2HD1  LEU 135          2HD1      LEU 135  -7.863 -11.202   0.077
 1069   3HD1  LEU 135          3HD1      LEU 135  -6.331 -10.548   0.656
 1070   1HD2  LEU 135          1HD2      LEU 135  -4.661 -12.104  -2.060
 1071   2HD2  LEU 135          2HD2      LEU 135  -6.080 -12.310  -3.087
 1072   3HD2  LEU 135          3HD2      LEU 135  -6.017 -13.085  -1.504
 1073    H    VAL 136           H        VAL 136  -8.232 -13.776  -1.526
 1074    HA   VAL 136           HA       VAL 136 -10.206 -13.186   0.578
 1075    HB   VAL 136           HB       VAL 136 -11.206 -14.752  -1.002
 1076   1HG1  VAL 136          1HG1      VAL 136 -10.287 -16.871  -1.526
 1077   2HG1  VAL 136          2HG1      VAL 136  -9.010 -16.693  -0.322
 1078   3HG1  VAL 136          3HG1      VAL 136  -8.999 -15.691  -1.773
 1079   1HG2  VAL 136          1HG2      VAL 136 -12.177 -15.976   0.617
 1080   2HG2  VAL 136          2HG2      VAL 136 -11.182 -14.996   1.693
 1081   3HG2  VAL 136          3HG2      VAL 136 -10.639 -16.603   1.211
 1082    H    PHE 137           H        PHE 137  -9.758 -13.913   2.631
 1083    HA   PHE 137           HA       PHE 137  -6.985 -14.445   3.218
 1084   1HB   PHE 137          2HB       PHE 137  -9.424 -14.042   4.956
 1085   2HB   PHE 137          1HB       PHE 137  -7.842 -14.429   5.618
 1086    HD1  PHE 137           1HD      PHE 137  -8.954 -12.066   2.939
 1087    HD2  PHE 137           2HD      PHE 137  -6.988 -12.596   6.674
 1088    HE1  PHE 137           1HE      PHE 137  -8.391  -9.673   2.977
 1089    HE2  PHE 137           2HE      PHE 137  -6.420 -10.204   6.719
 1090    HZ   PHE 137           HZ       PHE 137  -7.123  -8.738   4.870
 1091    HA   PRO 138           HA       PRO 138  -6.858 -18.807   3.801
 1092   1HB   PRO 138          2HB       PRO 138  -6.318 -18.367   6.700
 1093   2HB   PRO 138          1HB       PRO 138  -5.430 -19.341   5.523
 1094   1HG   PRO 138          2HG       PRO 138  -4.488 -16.982   6.311
 1095   2HG   PRO 138          1HG       PRO 138  -4.341 -17.502   4.623
 1096   1HD   PRO 138          2HD       PRO 138  -6.198 -15.515   5.842
 1097   2HD   PRO 138          1HD       PRO 138  -5.429 -15.510   4.242
 1098    H    ASP 139           H        ASP 139  -8.601 -17.090   6.399
 1099    HA   ASP 139           HA       ASP 139 -10.127 -19.404   7.102
 1100   1HB   ASP 139          2HB       ASP 139 -11.467 -17.834   8.494
 1101   2HB   ASP 139          1HB       ASP 139  -9.738 -17.764   8.812
 1102    H    GLY 140           H        GLY 140 -11.125 -16.311   5.545
 1103   1HA   GLY 140          2HA       GLY 140 -12.437 -17.196   3.390
 1104   2HA   GLY 140          1HA       GLY 140 -13.569 -17.629   4.659
 1105    H    GLU 141           H        GLU 141 -11.593 -14.751   3.864
 1106    HA   GLU 141           HA       GLU 141 -14.044 -13.189   3.667
 1107   1HB   GLU 141          2HB       GLU 141 -13.228 -11.441   5.184
 1108   2HB   GLU 141          1HB       GLU 141 -13.458 -12.969   6.021
 1109   1HG   GLU 141          2HG       GLU 141 -11.063 -13.388   5.941
 1110   2HG   GLU 141          1HG       GLU 141 -10.823 -11.876   5.066
 1111    H    MET 142           H        MET 142 -13.918 -11.558   2.219
 1112    HA   MET 142           HA       MET 142 -11.317 -11.191   0.889
 1113   1HB   MET 142          2HB       MET 142 -14.113 -10.766  -0.183
 1114   2HB   MET 142          1HB       MET 142 -12.627 -10.514  -1.090
 1115   1HG   MET 142          2HG       MET 142 -12.091 -12.871  -0.911
 1116   2HG   MET 142          1HG       MET 142 -13.533 -13.142   0.063
 1117   1HE   MET 142          1HE       MET 142 -16.340 -12.192  -2.541
 1118   2HE   MET 142          2HE       MET 142 -15.631 -11.423  -1.121
 1119   3HE   MET 142          3HE       MET 142 -16.116 -13.118  -1.058
 1120    H    LEU 143           H        LEU 143 -10.850  -9.010   0.029
 1121    HA   LEU 143           HA       LEU 143 -11.219  -7.028   1.994
 1122   1HB   LEU 143          2HB       LEU 143 -10.116  -5.506   0.513
 1123   2HB   LEU 143          1HB       LEU 143  -9.325  -7.062   0.387
 1124    HG   LEU 143           HG       LEU 143 -10.824  -7.387  -1.713
 1125   1HD1  LEU 143          1HD1      LEU 143 -12.309  -5.613  -1.698
 1126   2HD1  LEU 143          2HD1      LEU 143 -11.067  -5.055  -2.819
 1127   3HD1  LEU 143          3HD1      LEU 143 -11.088  -4.461  -1.160
 1128   1HD2  LEU 143          1HD2      LEU 143  -8.814  -7.211  -2.625
 1129   2HD2  LEU 143          2HD2      LEU 143  -8.251  -6.253  -1.256
 1130   3HD2  LEU 143          3HD2      LEU 143  -8.990  -5.458  -2.644
 1131    H    ARG 144           H        ARG 144 -13.133  -8.100  -0.607
 1132    HA   ARG 144           HA       ARG 144 -14.737  -5.740  -0.915
 1133   1HB   ARG 144          2HB       ARG 144 -14.412  -7.600  -2.635
 1134   2HB   ARG 144          1HB       ARG 144 -15.479  -8.581  -1.644
 1135   1HG   ARG 144          2HG       ARG 144 -16.302  -5.912  -2.747
 1136   2HG   ARG 144          1HG       ARG 144 -16.508  -7.418  -3.640
 1137   1HD   ARG 144          2HD       ARG 144 -17.861  -8.304  -1.784
 1138   2HD   ARG 144          1HD       ARG 144 -17.689  -6.763  -0.943
 1139    HE   ARG 144           HE       ARG 144 -18.724  -6.263  -3.491
 1140   1HH1  ARG 144          1HH1      ARG 144 -19.658  -7.797  -0.508
 1141   2HH1  ARG 144          2HH1      ARG 144 -21.348  -7.498  -0.736
 1142   1HH2  ARG 144          1HH2      ARG 144 -20.945  -5.869  -3.800
 1143   2HH2  ARG 144          2HH2      ARG 144 -22.079  -6.403  -2.604
 1144    H    GLN 145           H        GLN 145 -14.852  -8.750   0.893
 1145    HA   GLN 145           HA       GLN 145 -17.433  -8.368   2.027
 1146   1HB   GLN 145          2HB       GLN 145 -16.457 -10.589   1.936
 1147   2HB   GLN 145          1HB       GLN 145 -15.081 -10.065   2.894
 1148   1HG   GLN 145          2HG       GLN 145 -17.841  -9.883   4.017
 1149   2HG   GLN 145          1HG       GLN 145 -16.993 -11.425   3.994
 1150   1HE2  GLN 145          1HE2      GLN 145 -14.543  -9.365   4.244
 1151   2HE2  GLN 145          2HE2      GLN 145 -14.423  -9.203   5.957
 1152    H    ILE 146           H        ILE 146 -14.185  -7.392   2.837
 1153    HA   ILE 146           HA       ILE 146 -14.714  -6.526   5.492
 1154    HB   ILE 146           HB       ILE 146 -12.556  -5.589   3.591
 1155   1HG1  ILE 146          2HG1      ILE 146 -12.480  -7.743   5.718
 1156   2HG1  ILE 146          1HG1      ILE 146 -12.527  -8.032   3.983
 1157   1HG2  ILE 146          1HG2      ILE 146 -11.434  -5.236   5.949
 1158   2HG2  ILE 146          2HG2      ILE 146 -13.111  -5.094   6.472
 1159   3HG2  ILE 146          3HG2      ILE 146 -12.478  -4.003   5.241
 1160   1HD1  ILE 146          1HD1      ILE 146 -10.292  -8.299   4.544
 1161   2HD1  ILE 146          2HD1      ILE 146 -10.303  -6.919   5.643
 1162   3HD1  ILE 146          3HD1      ILE 146 -10.366  -6.659   3.900
 1163    H    LEU 147           H        LEU 147 -14.927  -5.087   2.310
 1164    HA   LEU 147           HA       LEU 147 -15.438  -2.429   3.248
 1165   1HB   LEU 147          2HB       LEU 147 -15.704  -3.774   0.570
 1166   2HB   LEU 147          1HB       LEU 147 -16.228  -2.121   0.828
 1167    HG   LEU 147           HG       LEU 147 -13.409  -3.121   1.247
 1168   1HD1  LEU 147          1HD1      LEU 147 -13.294  -1.318  -0.770
 1169   2HD1  LEU 147          2HD1      LEU 147 -14.843  -2.095  -1.100
 1170   3HD1  LEU 147          3HD1      LEU 147 -13.373  -3.065  -0.999
 1171   1HD2  LEU 147          1HD2      LEU 147 -14.769  -0.765   2.120
 1172   2HD2  LEU 147          2HD2      LEU 147 -13.553  -0.324   0.922
 1173   3HD2  LEU 147          3HD2      LEU 147 -13.085  -1.228   2.362
 1174    H    HIS 148           H        HIS 148 -17.235  -5.254   3.148
 1175    HA   HIS 148           HA       HIS 148 -19.811  -4.066   2.653
 1176   1HB   HIS 148          2HB       HIS 148 -19.322  -6.459   2.150
 1177   2HB   HIS 148          1HB       HIS 148 -19.149  -6.758   3.877
 1178    HD1  HIS 148           1HD      HIS 148 -21.491  -5.798   5.215
 1179    HD2  HIS 148           2HD      HIS 148 -21.774  -7.195   1.314
 1180    HE1  HIS 148           1HE      HIS 148 -23.914  -6.382   4.884
 1181    HE2  HIS 148           2HE      HIS 148 -24.078  -7.130   2.485
 1182    H    THR 149           H        THR 149 -17.746  -4.733   5.357
 1183    HA   THR 149           HA       THR 149 -19.814  -3.978   7.285
 1184    HB   THR 149           HB       THR 149 -16.986  -4.974   7.708
 1185    HG1  THR 149           1HG      THR 149 -18.852  -6.385   6.906
 1186   1HG2  THR 149          1HG2      THR 149 -17.303  -3.973   9.714
 1187   2HG2  THR 149          2HG2      THR 149 -18.126  -5.500  10.031
 1188   3HG2  THR 149          3HG2      THR 149 -19.061  -4.063   9.611
 1189    H    ARG 150           H        ARG 150 -16.890  -2.879   5.781
 1190    HA   ARG 150           HA       ARG 150 -16.566  -0.599   7.531
 1191   1HB   ARG 150          2HB       ARG 150 -15.103  -1.734   5.193
 1192   2HB   ARG 150          1HB       ARG 150 -14.897  -0.026   5.534
 1193   1HG   ARG 150          2HG       ARG 150 -13.127  -1.390   6.522
 1194   2HG   ARG 150          1HG       ARG 150 -14.061  -0.532   7.746
 1195   1HD   ARG 150          2HD       ARG 150 -14.752  -3.347   6.999
 1196   2HD   ARG 150          1HD       ARG 150 -13.435  -3.018   8.122
 1197    HE   ARG 150           HE       ARG 150 -16.189  -2.948   8.710
 1198   1HH1  ARG 150          1HH1      ARG 150 -13.229  -1.218   9.355
 1199   2HH1  ARG 150          2HH1      ARG 150 -13.767  -0.612  10.885
 1200   1HH2  ARG 150          1HH2      ARG 150 -16.900  -2.151  10.724
 1201   2HH2  ARG 150          2HH2      ARG 150 -15.848  -1.146  11.663
 1202    H    ALA 151           H        ALA 151 -17.116  -1.003   4.031
 1203    HA   ALA 151           HA       ALA 151 -18.267   0.231   2.503
 1204   1HB   ALA 151          1HB       ALA 151 -20.027   1.875   3.617
 1205   2HB   ALA 151          2HB       ALA 151 -19.709   0.859   5.024
 1206   3HB   ALA 151          3HB       ALA 151 -20.303   0.134   3.530
 1207    H    PHE 152           H        PHE 152 -15.888   1.084   2.687
 1208    HA   PHE 152           HA       PHE 152 -15.893   3.935   3.359
 1209   1HB   PHE 152          2HB       PHE 152 -13.630   1.994   2.888
 1210   2HB   PHE 152          1HB       PHE 152 -13.409   3.716   3.179
 1211    HD1  PHE 152           1HD      PHE 152 -11.931   2.481   4.989
 1212    HD2  PHE 152           2HD      PHE 152 -16.175   2.694   5.064
 1213    HE1  PHE 152           1HE      PHE 152 -11.907   2.079   7.412
 1214    HE2  PHE 152           2HE      PHE 152 -16.158   2.289   7.485
 1215    HZ   PHE 152           HZ       PHE 152 -14.022   1.980   8.664
 1216    H    ASP 153           H        ASP 153 -16.994   4.644   1.522
 1217    HA   ASP 153           HA       ASP 153 -15.684   4.253  -1.060
 1218   1HB   ASP 153          2HB       ASP 153 -18.285   5.647  -0.382
 1219   2HB   ASP 153          1HB       ASP 153 -17.677   5.333  -2.006
 1220    H    LYS 154           H        LYS 154 -15.123   6.134   1.460
 1221    HA   LYS 154           HA       LYS 154 -15.187   8.742   0.350
 1222   1HB   LYS 154          2HB       LYS 154 -13.714   9.341   2.282
 1223   2HB   LYS 154          1HB       LYS 154 -15.219   8.551   2.720
 1224   1HG   LYS 154          2HG       LYS 154 -14.026   6.448   3.049
 1225   2HG   LYS 154          1HG       LYS 154 -12.514   7.238   2.594
 1226   1HD   LYS 154          2HD       LYS 154 -12.825   8.813   4.486
 1227   2HD   LYS 154          1HD       LYS 154 -14.253   7.896   4.968
 1228   1HE   LYS 154          2HE       LYS 154 -11.451   6.798   4.771
 1229   2HE   LYS 154          1HE       LYS 154 -12.262   7.269   6.264
 1230   1HZ   LYS 154          1HZ       LYS 154 -12.443   4.920   5.999
 1231   2HZ   LYS 154          2HZ       LYS 154 -13.047   5.077   4.428
 1232   3HZ   LYS 154          3HZ       LYS 154 -13.978   5.585   5.745
 1233    H    LEU 155           H        LEU 155 -12.236   9.073   1.423
 1234    HA   LEU 155           HA       LEU 155 -10.211   9.416   0.436
 1235   1HB   LEU 155          2HB       LEU 155 -10.921   6.922  -1.123
 1236   2HB   LEU 155          1HB       LEU 155  -9.334   7.660  -1.063
 1237    HG   LEU 155           HG       LEU 155  -9.197   5.820   0.368
 1238   1HD1  LEU 155          1HD1      LEU 155  -8.609   8.201   1.320
 1239   2HD1  LEU 155          2HD1      LEU 155  -8.475   6.749   2.310
 1240   3HD1  LEU 155          3HD1      LEU 155  -9.885   7.796   2.468
 1241   1HD2  LEU 155          1HD2      LEU 155 -10.905   5.574   2.270
 1242   2HD2  LEU 155          2HD2      LEU 155 -11.368   5.067   0.646
 1243   3HD2  LEU 155          3HD2      LEU 155 -11.930   6.614   1.282
 1244    H    ASN 156           H        ASN 156 -12.090  11.060  -0.562
 1245    HA   ASN 156           HA       ASN 156 -12.750  10.978  -3.233
 1246   1HB   ASN 156          2HB       ASN 156 -12.929  13.411  -3.167
 1247   2HB   ASN 156          1HB       ASN 156 -13.558  12.717  -1.679
 1248   1HD2  ASN 156          1HD2      ASN 156 -11.830  15.186  -2.842
 1249   2HD2  ASN 156          2HD2      ASN 156 -10.827  15.535  -1.479
 1250    H    LYS 157           H        LYS 157 -11.664  11.013  -5.076
 1251    HA   LYS 157           HA       LYS 157  -8.951  10.768  -5.303
 1252   1HB   LYS 157          2HB       LYS 157 -10.893  11.865  -7.333
 1253   2HB   LYS 157          1HB       LYS 157  -9.232  11.418  -7.702
 1254   1HG   LYS 157          2HG       LYS 157  -9.744   9.115  -6.912
 1255   2HG   LYS 157          1HG       LYS 157 -11.431   9.602  -6.744
 1256   1HD   LYS 157          2HD       LYS 157  -9.844   9.712  -9.306
 1257   2HD   LYS 157          1HD       LYS 157 -10.970   8.426  -8.870
 1258   1HE   LYS 157          2HE       LYS 157 -11.668  11.342  -9.204
 1259   2HE   LYS 157          1HE       LYS 157 -11.994  10.066 -10.376
 1260   1HZ   LYS 157          1HZ       LYS 157 -13.198   8.990  -8.348
 1261   2HZ   LYS 157          2HZ       LYS 157 -13.977  10.171  -9.272
 1262   3HZ   LYS 157          3HZ       LYS 157 -13.277  10.583  -7.789
 1263    H    TRP 158           H        TRP 158  -7.329  12.120  -6.242
 1264    HA   TRP 158           HA       TRP 158  -6.668  14.357  -4.880
 1265   1HB   TRP 158          2HB       TRP 158  -5.177  13.151  -6.442
 1266   2HB   TRP 158          1HB       TRP 158  -6.045  13.862  -7.798
 1267    HD1  TRP 158           HD       TRP 158  -5.009  15.993  -8.746
 1268    HE1  TRP 158           1HE      TRP 158  -3.324  17.752  -7.918
 1269    HE3  TRP 158           3HE      TRP 158  -4.360  14.306  -3.965
 1270    HZ2  TRP 158           2HZ      TRP 158  -1.899  18.341  -5.555
 1271    HZ3  TRP 158           3HZ      TRP 158  -2.814  15.520  -2.488
 1272    HH2  TRP 158           HH       TRP 158  -1.609  17.495  -3.266
  Start of MODEL    2
    1   1H    THR   1          1HT       THR   1   0.306 -14.104 -10.261
    2   2H    THR   1          2HT       THR   1   1.781 -14.332  -9.465
    3   3H    THR   1          3HT       THR   1   1.538 -12.955 -10.419
    4    HA   THR   1           HA       THR   1  -0.509 -13.070  -8.514
    5    HB   THR   1           HB       THR   1   2.299 -13.262  -7.395
    6    HG1  THR   1           1HG      THR   1   1.265 -15.139  -6.338
    7   1HG2  THR   1          1HG2      THR   1  -0.224 -12.357  -6.220
    8   2HG2  THR   1          2HG2      THR   1   1.442 -12.072  -5.711
    9   3HG2  THR   1          3HG2      THR   1   0.636 -13.582  -5.286
   10    H    VAL   2           H        VAL   2  -0.714 -11.010  -7.460
   11    HA   VAL   2           HA       VAL   2   0.949  -8.908  -8.685
   12    HB   VAL   2           HB       VAL   2  -1.995  -8.801  -8.023
   13   1HG1  VAL   2          1HG1      VAL   2  -1.943  -6.531  -8.925
   14   2HG1  VAL   2          2HG1      VAL   2  -0.194  -6.643  -9.113
   15   3HG1  VAL   2          3HG1      VAL   2  -0.911  -6.679  -7.503
   16   1HG2  VAL   2          1HG2      VAL   2  -0.597  -9.604 -10.349
   17   2HG2  VAL   2          2HG2      VAL   2  -1.374  -8.059 -10.690
   18   3HG2  VAL   2          3HG2      VAL   2  -2.336  -9.422 -10.122
   19    H    ALA   3           H        ALA   3   1.571  -7.178  -7.432
   20    HA   ALA   3           HA       ALA   3   1.356  -7.591  -4.547
   21   1HB   ALA   3          1HB       ALA   3   3.363  -6.411  -6.335
   22   2HB   ALA   3          2HB       ALA   3   3.561  -7.238  -4.789
   23   3HB   ALA   3          3HB       ALA   3   3.105  -5.534  -4.827
   24    H    TYR   4           H        TYR   4  -0.522  -6.722  -3.897
   25    HA   TYR   4           HA       TYR   4  -1.547  -4.211  -4.873
   26   1HB   TYR   4          2HB       TYR   4  -2.377  -5.995  -2.578
   27   2HB   TYR   4          1HB       TYR   4  -3.255  -4.562  -3.088
   28    HD1  TYR   4           1HD      TYR   4  -1.656  -7.018  -5.372
   29    HD2  TYR   4           2HD      TYR   4  -5.297  -5.573  -3.719
   30    HE1  TYR   4           1HE      TYR   4  -2.919  -8.367  -6.988
   31    HE2  TYR   4           2HE      TYR   4  -6.564  -6.917  -5.329
   32    HH   TYR   4           HH       TYR   4  -5.073  -8.474  -8.007
   33    H    ILE   5           H        ILE   5   0.456  -3.033  -4.396
   34    HA   ILE   5           HA       ILE   5   1.162  -2.563  -1.635
   35    HB   ILE   5           HB       ILE   5   2.195  -1.163  -4.100
   36   1HG1  ILE   5          2HG1      ILE   5   2.493  -3.590  -4.301
   37   2HG1  ILE   5          1HG1      ILE   5   4.039  -2.781  -4.063
   38   1HG2  ILE   5          1HG2      ILE   5   2.964   0.126  -2.377
   39   2HG2  ILE   5          2HG2      ILE   5   4.253  -1.074  -2.466
   40   3HG2  ILE   5          3HG2      ILE   5   2.996  -1.220  -1.236
   41   1HD1  ILE   5          1HD1      ILE   5   2.634  -3.824  -1.670
   42   2HD1  ILE   5          2HD1      ILE   5   4.359  -3.706  -2.010
   43   3HD1  ILE   5          3HD1      ILE   5   3.397  -4.978  -2.762
   44    H    ALA   6           H        ALA   6   1.171  -0.542  -0.604
   45    HA   ALA   6           HA       ALA   6  -0.576   1.525  -1.756
   46   1HB   ALA   6          1HB       ALA   6  -1.334   1.842   0.723
   47   2HB   ALA   6          2HB       ALA   6  -0.846   0.156   0.884
   48   3HB   ALA   6          3HB       ALA   6  -2.092   0.607  -0.280
   49    H    ILE   7           H        ILE   7   0.583   3.337  -1.918
   50    HA   ILE   7           HA       ILE   7   2.840   3.731  -0.091
   51    HB   ILE   7           HB       ILE   7   2.187   5.241  -2.628
   52   1HG1  ILE   7          2HG1      ILE   7   4.247   4.003  -3.473
   53   2HG1  ILE   7          1HG1      ILE   7   4.089   2.960  -2.065
   54   1HG2  ILE   7          1HG2      ILE   7   3.922   6.599  -2.219
   55   2HG2  ILE   7          2HG2      ILE   7   4.923   5.291  -1.585
   56   3HG2  ILE   7          3HG2      ILE   7   3.737   6.079  -0.542
   57   1HD1  ILE   7          1HD1      ILE   7   2.019   2.107  -2.820
   58   2HD1  ILE   7          2HD1      ILE   7   3.117   2.078  -4.201
   59   3HD1  ILE   7          3HD1      ILE   7   1.890   3.340  -4.075
   60    H    GLY   8           H        GLY   8   3.076   5.488   1.201
   61   1HA   GLY   8          2HA       GLY   8   0.775   7.335   1.329
   62   2HA   GLY   8          1HA       GLY   8   1.579   6.722   2.768
   63    H    SER   9           H        SER   9   1.242   9.467   2.199
   64    HA   SER   9           HA       SER   9   3.832  10.430   2.660
   65   1HB   SER   9          2HB       SER   9   4.175  11.699   0.534
   66   2HB   SER   9          1HB       SER   9   4.287   9.950   0.337
   67    HG   SER   9           HG       SER   9   2.588   9.991  -0.908
   68    H    ASN  10           H        ASN  10   3.625  12.304   3.728
   69    HA   ASN  10           HA       ASN  10   1.555  14.178   2.952
   70   1HB   ASN  10          2HB       ASN  10   0.744  14.296   5.361
   71   2HB   ASN  10          1HB       ASN  10   0.234  12.905   4.414
   72   1HD2  ASN  10          1HD2      ASN  10   0.116  11.229   5.699
   73   2HD2  ASN  10          2HD2      ASN  10   1.293  10.764   6.883
   74    H    LEU  11           H        LEU  11   4.255  13.440   5.129
   75    HA   LEU  11           HA       LEU  11   4.600  16.321   5.555
   76   1HB   LEU  11          2HB       LEU  11   6.082  15.712   7.406
   77   2HB   LEU  11          1HB       LEU  11   4.478  15.033   7.582
   78    HG   LEU  11           HG       LEU  11   5.442  12.860   6.673
   79   1HD1  LEU  11          1HD1      LEU  11   7.496  13.076   5.795
   80   2HD1  LEU  11          2HD1      LEU  11   8.033  12.951   7.471
   81   3HD1  LEU  11          3HD1      LEU  11   7.849  14.537   6.719
   82   1HD2  LEU  11          1HD2      LEU  11   6.900  13.149   9.131
   83   2HD2  LEU  11          2HD2      LEU  11   5.412  12.258   8.806
   84   3HD2  LEU  11          3HD2      LEU  11   5.341  13.967   9.238
   85    H    ALA  12           H        ALA  12   5.569  14.326   3.271
   86    HA   ALA  12           HA       ALA  12   8.099  15.748   2.927
   87   1HB   ALA  12          1HB       ALA  12   9.397  13.797   2.514
   88   2HB   ALA  12          2HB       ALA  12   7.977  12.756   2.608
   89   3HB   ALA  12          3HB       ALA  12   8.578  13.563   4.058
   90    H    SER  13           H        SER  13   6.132  16.575   1.482
   91    HA   SER  13           HA       SER  13   5.341  16.915  -0.624
   92   1HB   SER  13          2HB       SER  13   7.827  15.361  -1.392
   93   2HB   SER  13          1HB       SER  13   6.831  16.298  -2.507
   94    HG   SER  13           HG       SER  13   8.785  17.142  -0.867
   95    HA   PRO  14           HA       PRO  14   3.157  12.823  -0.377
   96   1HB   PRO  14          2HB       PRO  14   1.110  14.696  -1.473
   97   2HB   PRO  14          1HB       PRO  14   0.940  13.433  -0.246
   98   1HG   PRO  14          2HG       PRO  14   1.055  15.980   0.476
   99   2HG   PRO  14          1HG       PRO  14   1.902  14.741   1.420
  100   1HD   PRO  14          2HD       PRO  14   3.001  16.740  -0.508
  101   2HD   PRO  14          1HD       PRO  14   3.702  16.122   1.002
  102    H    LEU  15           H        LEU  15   3.439  15.167  -2.994
  103    HA   LEU  15           HA       LEU  15   2.561  13.256  -4.979
  104   1HB   LEU  15          2HB       LEU  15   1.965  15.578  -5.263
  105   2HB   LEU  15          1HB       LEU  15   3.651  16.055  -5.220
  106    HG   LEU  15           HG       LEU  15   4.044  14.873  -7.342
  107   1HD1  LEU  15          1HD1      LEU  15   1.306  14.566  -8.155
  108   2HD1  LEU  15          2HD1      LEU  15   1.639  13.585  -6.727
  109   3HD1  LEU  15          3HD1      LEU  15   2.623  13.391  -8.177
  110   1HD2  LEU  15          1HD2      LEU  15   1.741  16.496  -8.110
  111   2HD2  LEU  15          2HD2      LEU  15   3.449  16.690  -8.504
  112   3HD2  LEU  15          3HD2      LEU  15   2.824  17.291  -6.967
  113    H    GLU  16           H        GLU  16   5.591  14.373  -3.674
  114    HA   GLU  16           HA       GLU  16   7.160  13.397  -5.881
  115   1HB   GLU  16          2HB       GLU  16   7.849  14.483  -3.167
  116   2HB   GLU  16          1HB       GLU  16   9.069  13.952  -4.319
  117   1HG   GLU  16          2HG       GLU  16   8.188  15.603  -5.931
  118   2HG   GLU  16          1HG       GLU  16   7.076  16.174  -4.690
  119    H    GLN  17           H        GLN  17   6.053  12.157  -2.829
  120    HA   GLN  17           HA       GLN  17   7.997  10.077  -2.614
  121   1HB   GLN  17          2HB       GLN  17   5.290  10.282  -1.296
  122   2HB   GLN  17          1HB       GLN  17   6.620   9.244  -0.796
  123   1HG   GLN  17          2HG       GLN  17   6.705  12.251  -0.826
  124   2HG   GLN  17          1HG       GLN  17   6.371  11.261   0.596
  125   1HE2  GLN  17          1HE2      GLN  17   8.039  10.869   1.850
  126   2HE2  GLN  17          2HE2      GLN  17   9.700  10.873   1.375
  127    H    VAL  18           H        VAL  18   5.060  10.413  -4.383
  128    HA   VAL  18           HA       VAL  18   4.625   7.559  -4.615
  129    HB   VAL  18           HB       VAL  18   3.245   9.812  -6.072
  130   1HG1  VAL  18          1HG1      VAL  18   3.164   6.990  -6.422
  131   2HG1  VAL  18          2HG1      VAL  18   2.227   8.232  -7.252
  132   3HG1  VAL  18          3HG1      VAL  18   1.615   7.516  -5.762
  133   1HG2  VAL  18          1HG2      VAL  18   1.595   9.819  -4.414
  134   2HG2  VAL  18          2HG2      VAL  18   3.106   9.733  -3.508
  135   3HG2  VAL  18          3HG2      VAL  18   2.136   8.279  -3.742
  136    H    ASN  19           H        ASN  19   5.995  10.153  -6.560
  137    HA   ASN  19           HA       ASN  19   6.048   8.957  -9.052
  138   1HB   ASN  19          2HB       ASN  19   8.142  10.743  -7.801
  139   2HB   ASN  19          1HB       ASN  19   8.050  10.355  -9.517
  140   1HD2  ASN  19          1HD2      ASN  19   7.511  12.744  -7.510
  141   2HD2  ASN  19          2HD2      ASN  19   6.128  13.492  -8.222
  142    H    ALA  20           H        ALA  20   8.649   8.832  -6.609
  143    HA   ALA  20           HA       ALA  20  10.111   6.858  -8.082
  144   1HB   ALA  20          1HB       ALA  20  11.795   7.290  -6.661
  145   2HB   ALA  20          2HB       ALA  20  10.760   7.199  -5.238
  146   3HB   ALA  20          3HB       ALA  20  10.806   8.675  -6.202
  147    H    ALA  21           H        ALA  21   7.566   6.748  -5.783
  148    HA   ALA  21           HA       ALA  21   8.116   4.219  -4.628
  149   1HB   ALA  21          1HB       ALA  21   5.370   4.519  -4.523
  150   2HB   ALA  21          2HB       ALA  21   5.979   6.175  -4.549
  151   3HB   ALA  21          3HB       ALA  21   6.530   5.050  -3.306
  152    H    LEU  22           H        LEU  22   5.977   5.189  -7.307
  153    HA   LEU  22           HA       LEU  22   5.338   2.436  -7.896
  154   1HB   LEU  22          2HB       LEU  22   4.018   3.413  -9.770
  155   2HB   LEU  22          1HB       LEU  22   3.569   3.997  -8.181
  156    HG   LEU  22           HG       LEU  22   5.005   6.041  -8.671
  157   1HD1  LEU  22          1HD1      LEU  22   5.347   4.557 -11.161
  158   2HD1  LEU  22          2HD1      LEU  22   6.306   5.869 -10.478
  159   3HD1  LEU  22          3HD1      LEU  22   4.842   6.231 -11.392
  160   1HD2  LEU  22          1HD2      LEU  22   3.128   7.109  -9.262
  161   2HD2  LEU  22          2HD2      LEU  22   2.374   5.523  -9.102
  162   3HD2  LEU  22          3HD2      LEU  22   2.882   6.103 -10.688
  163    H    LYS  23           H        LYS  23   7.768   4.628  -8.786
  164    HA   LYS  23           HA       LYS  23   8.278   3.454 -11.386
  165   1HB   LYS  23          2HB       LYS  23   8.631   5.899 -10.753
  166   2HB   LYS  23          1HB       LYS  23  10.045   5.365  -9.862
  167   1HG   LYS  23          2HG       LYS  23   9.649   4.872 -12.801
  168   2HG   LYS  23          1HG       LYS  23  10.491   6.274 -12.142
  169   1HD   LYS  23          2HD       LYS  23  12.115   4.800 -11.066
  170   2HD   LYS  23          1HD       LYS  23  11.262   3.390 -11.697
  171   1HE   LYS  23          2HE       LYS  23  12.575   5.544 -13.350
  172   2HE   LYS  23          1HE       LYS  23  13.230   3.935 -13.047
  173   1HZ   LYS  23          1HZ       LYS  23  11.344   4.753 -14.994
  174   2HZ   LYS  23          2HZ       LYS  23  10.678   3.544 -14.016
  175   3HZ   LYS  23          3HZ       LYS  23  12.132   3.264 -14.832
  176    H    ALA  24           H        ALA  24   9.985   3.647  -8.266
  177    HA   ALA  24           HA       ALA  24  12.192   2.096  -8.925
  178   1HB   ALA  24          1HB       ALA  24  10.954   2.104  -6.192
  179   2HB   ALA  24          2HB       ALA  24  11.804   3.503  -6.851
  180   3HB   ALA  24          3HB       ALA  24  12.658   1.975  -6.629
  181    H    LEU  25           H        LEU  25   8.938   1.066  -8.238
  182    HA   LEU  25           HA       LEU  25   9.582  -1.611  -7.509
  183   1HB   LEU  25          2HB       LEU  25   7.250  -2.058  -7.670
  184   2HB   LEU  25          1HB       LEU  25   7.438  -0.454  -7.005
  185    HG   LEU  25           HG       LEU  25   7.050   0.364  -9.431
  186   1HD1  LEU  25          1HD1      LEU  25   5.248  -1.821  -9.944
  187   2HD1  LEU  25          2HD1      LEU  25   6.917  -2.384  -9.875
  188   3HD1  LEU  25          3HD1      LEU  25   6.466  -1.098 -10.995
  189   1HD2  LEU  25          1HD2      LEU  25   4.503  -0.697  -8.523
  190   2HD2  LEU  25          2HD2      LEU  25   5.051   0.974  -8.660
  191   3HD2  LEU  25          3HD2      LEU  25   5.442   0.033  -7.219
  192    H    GLY  26           H        GLY  26   8.816   0.016 -10.504
  193   1HA   GLY  26          2HA       GLY  26   8.576  -2.209 -12.190
  194   2HA   GLY  26          1HA       GLY  26   9.091  -0.607 -12.702
  195    H    ASP  27           H        ASP  27  11.315  -0.997 -10.573
  196    HA   ASP  27           HA       ASP  27  13.175  -2.310 -12.418
  197   1HB   ASP  27          2HB       ASP  27  13.655   0.020 -11.640
  198   2HB   ASP  27          1HB       ASP  27  13.791  -0.600  -9.998
  199    H    ILE  28           H        ILE  28  11.632  -2.677  -9.372
  200    HA   ILE  28           HA       ILE  28  13.357  -4.219  -7.889
  201    HB   ILE  28           HB       ILE  28  10.362  -4.502  -8.172
  202   1HG1  ILE  28          2HG1      ILE  28  12.101  -3.132  -6.104
  203   2HG1  ILE  28          1HG1      ILE  28  11.124  -2.330  -7.332
  204   1HG2  ILE  28          1HG2      ILE  28  11.812  -5.492  -5.769
  205   2HG2  ILE  28          2HG2      ILE  28  11.788  -6.503  -7.213
  206   3HG2  ILE  28          3HG2      ILE  28  10.273  -6.012  -6.456
  207   1HD1  ILE  28          1HD1      ILE  28   9.317  -2.416  -6.051
  208   2HD1  ILE  28          2HD1      ILE  28  10.376  -2.927  -4.738
  209   3HD1  ILE  28          3HD1      ILE  28   9.542  -4.132  -5.718
  210    HA   PRO  29           HA       PRO  29  14.202  -7.867 -10.263
  211   1HB   PRO  29          2HB       PRO  29  14.562  -9.588  -8.121
  212   2HB   PRO  29          1HB       PRO  29  15.808  -8.529  -8.787
  213   1HG   PRO  29          2HG       PRO  29  14.050  -8.124  -6.405
  214   2HG   PRO  29          1HG       PRO  29  15.765  -7.726  -6.616
  215   1HD   PRO  29          2HD       PRO  29  13.870  -5.832  -6.750
  216   2HD   PRO  29          1HD       PRO  29  15.295  -5.795  -7.815
  217    H    GLU  30           H        GLU  30  12.742  -9.093 -11.253
  218    HA   GLU  30           HA       GLU  30  10.881 -10.327 -11.680
  219   1HB   GLU  30          2HB       GLU  30  11.165 -11.136  -8.781
  220   2HB   GLU  30          1HB       GLU  30  10.205 -11.974  -9.993
  221   1HG   GLU  30          2HG       GLU  30  12.315 -12.308 -11.286
  222   2HG   GLU  30          1HG       GLU  30  13.192 -11.691  -9.888
  223    H    SER  31           H        SER  31  10.216  -7.864 -11.496
  224    HA   SER  31           HA       SER  31   7.575  -7.883 -10.351
  225   1HB   SER  31          2HB       SER  31   9.610  -5.867  -9.360
  226   2HB   SER  31          1HB       SER  31   7.881  -5.826  -9.016
  227    HG   SER  31           HG       SER  31   8.179  -7.926  -8.033
  228    H    HIS  32           H        HIS  32   6.332  -7.026 -11.857
  229    HA   HIS  32           HA       HIS  32   7.307  -4.705 -13.374
  230   1HB   HIS  32          2HB       HIS  32   6.394  -7.326 -14.472
  231   2HB   HIS  32          1HB       HIS  32   6.011  -5.862 -15.360
  232    HD1  HIS  32           1HD      HIS  32   7.707  -7.609 -16.914
  233    HD2  HIS  32           2HD      HIS  32   9.359  -5.062 -14.076
  234    HE1  HIS  32           1HE      HIS  32  10.109  -7.310 -17.595
  235    HE2  HIS  32           2HE      HIS  32  11.056  -5.676 -15.928
  236    H    ILE  33           H        ILE  33   5.929  -3.157 -12.721
  237    HA   ILE  33           HA       ILE  33   3.380  -3.425 -11.766
  238    HB   ILE  33           HB       ILE  33   5.038  -1.329 -12.141
  239   1HG1  ILE  33          2HG1      ILE  33   2.053  -1.227 -11.703
  240   2HG1  ILE  33          1HG1      ILE  33   3.280  -1.542 -10.481
  241   1HG2  ILE  33          1HG2      ILE  33   2.767  -0.496 -13.881
  242   2HG2  ILE  33          2HG2      ILE  33   4.112  -1.374 -14.606
  243   3HG2  ILE  33          3HG2      ILE  33   4.403   0.152 -13.773
  244   1HD1  ILE  33          1HD1      ILE  33   2.221   0.946 -11.329
  245   2HD1  ILE  33          2HD1      ILE  33   3.935   0.905 -11.737
  246   3HD1  ILE  33          3HD1      ILE  33   3.417   0.625 -10.075
  247    H    LEU  34           H        LEU  34   1.315  -3.260 -12.648
  248    HA   LEU  34           HA       LEU  34   1.149  -3.687 -15.558
  249   1HB   LEU  34          2HB       LEU  34   0.655  -5.664 -13.993
  250   2HB   LEU  34          1HB       LEU  34  -0.805  -4.798 -13.558
  251    HG   LEU  34           HG       LEU  34  -0.159  -5.546 -16.406
  252   1HD1  LEU  34          1HD1      LEU  34  -0.350  -7.664 -15.634
  253   2HD1  LEU  34          2HD1      LEU  34  -2.071  -7.291 -15.750
  254   3HD1  LEU  34          3HD1      LEU  34  -1.247  -7.179 -14.195
  255   1HD2  LEU  34          1HD2      LEU  34  -2.521  -5.206 -16.769
  256   2HD2  LEU  34          2HD2      LEU  34  -1.833  -3.764 -16.022
  257   3HD2  LEU  34          3HD2      LEU  34  -2.774  -4.897 -15.052
  258    H    THR  35           H        THR  35  -0.537  -2.461 -12.689
  259    HA   THR  35           HA       THR  35  -1.750  -0.383 -14.363
  260    HB   THR  35           HB       THR  35  -3.892  -0.636 -13.081
  261    HG1  THR  35           1HG      THR  35  -3.287  -1.825 -11.335
  262   1HG2  THR  35          1HG2      THR  35  -3.225  -1.877 -15.351
  263   2HG2  THR  35          2HG2      THR  35  -4.801  -2.039 -14.578
  264   3HG2  THR  35          3HG2      THR  35  -3.568  -3.277 -14.335
  265    H    VAL  36           H        VAL  36  -2.369   1.523 -13.210
  266    HA   VAL  36           HA       VAL  36  -1.312   1.740 -10.478
  267    HB   VAL  36           HB       VAL  36   0.438   2.586 -11.945
  268   1HG1  VAL  36          1HG1      VAL  36   0.025   4.589 -13.346
  269   2HG1  VAL  36          2HG1      VAL  36  -1.699   4.425 -13.012
  270   3HG1  VAL  36          3HG1      VAL  36  -0.848   3.158 -13.897
  271   1HG2  VAL  36          1HG2      VAL  36  -0.527   3.836  -9.759
  272   2HG2  VAL  36          2HG2      VAL  36  -0.625   5.143 -10.938
  273   3HG2  VAL  36          3HG2      VAL  36   0.920   4.352 -10.626
  274    H    SER  37           H        SER  37  -2.440   3.080  -9.130
  275    HA   SER  37           HA       SER  37  -5.021   4.000 -10.096
  276   1HB   SER  37          2HB       SER  37  -5.592   4.296  -7.753
  277   2HB   SER  37          1HB       SER  37  -4.816   2.727  -7.956
  278    HG   SER  37           HG       SER  37  -2.848   4.291  -7.460
  279    H    SER  38           H        SER  38  -5.582   6.129  -8.475
  280    HA   SER  38           HA       SER  38  -3.806   8.192  -9.576
  281   1HB   SER  38          2HB       SER  38  -6.623   8.424  -8.485
  282   2HB   SER  38          1HB       SER  38  -5.683   9.746  -9.176
  283    HG   SER  38           HG       SER  38  -6.228   7.373 -10.612
  284    H    PHE  39           H        PHE  39  -4.084  10.308  -8.016
  285    HA   PHE  39           HA       PHE  39  -3.011   9.390  -5.441
  286   1HB   PHE  39          2HB       PHE  39  -2.873  12.224  -6.466
  287   2HB   PHE  39          1HB       PHE  39  -1.874  11.454  -5.248
  288    HD1  PHE  39           1HD      PHE  39   0.243  10.784  -5.817
  289    HD2  PHE  39           2HD      PHE  39  -2.699  11.135  -8.874
  290    HE1  PHE  39           1HE      PHE  39   1.953  10.298  -7.517
  291    HE2  PHE  39           2HE      PHE  39  -0.994  10.641 -10.576
  292    HZ   PHE  39           HZ       PHE  39   1.335  10.224  -9.900
  293    H    TYR  40           H        TYR  40  -4.420   9.345  -3.821
  294    HA   TYR  40           HA       TYR  40  -6.610  11.308  -3.838
  295   1HB   TYR  40          2HB       TYR  40  -6.497   8.622  -2.454
  296   2HB   TYR  40          1HB       TYR  40  -7.872   9.722  -2.465
  297    HD1  TYR  40           1HD      TYR  40  -5.661   7.828  -4.814
  298    HD2  TYR  40           2HD      TYR  40  -9.527   9.445  -4.064
  299    HE1  TYR  40           1HE      TYR  40  -6.500   6.763  -6.863
  300    HE2  TYR  40           2HE      TYR  40 -10.374   8.381  -6.111
  301    HH   TYR  40           HH       TYR  40  -8.230   6.766  -8.365
  302    H    ARG  41           H        ARG  41  -6.742  12.763  -2.291
  303    HA   ARG  41           HA       ARG  41  -4.783  12.797  -0.157
  304   1HB   ARG  41          2HB       ARG  41  -5.424  14.838  -1.485
  305   2HB   ARG  41          1HB       ARG  41  -7.006  14.768  -0.726
  306   1HG   ARG  41          2HG       ARG  41  -5.904  15.015   1.482
  307   2HG   ARG  41          1HG       ARG  41  -4.365  15.216   0.639
  308   1HD   ARG  41          2HD       ARG  41  -5.327  17.378   1.231
  309   2HD   ARG  41          1HD       ARG  41  -5.243  17.177  -0.516
  310    HE   ARG  41           HE       ARG  41  -7.770  16.346   0.363
  311   1HH1  ARG  41          1HH1      ARG  41  -5.877  19.256   0.050
  312   2HH1  ARG  41          2HH1      ARG  41  -7.258  20.286  -0.136
  313   1HH2  ARG  41          1HH2      ARG  41  -9.591  17.697   0.124
  314   2HH2  ARG  41          2HH2      ARG  41  -9.369  19.400  -0.093
  315    H    THR  42           H        THR  42  -5.223  12.516   2.012
  316    HA   THR  42           HA       THR  42  -7.893  12.398   3.052
  317    HB   THR  42           HB       THR  42  -7.736  10.228   1.848
  318    HG1  THR  42           1HG      THR  42  -9.029   9.779   3.436
  319   1HG2  THR  42          1HG2      THR  42  -6.308   8.460   2.980
  320   2HG2  THR  42          2HG2      THR  42  -5.389   9.804   3.657
  321   3HG2  THR  42          3HG2      THR  42  -5.492   9.596   1.907
  322    HA   PRO  43           HA       PRO  43  -5.567  13.095   6.770
  323   1HB   PRO  43          2HB       PRO  43  -7.279  12.277   8.687
  324   2HB   PRO  43          1HB       PRO  43  -7.582  13.729   7.723
  325   1HG   PRO  43          2HG       PRO  43  -8.706  10.970   7.395
  326   2HG   PRO  43          1HG       PRO  43  -9.542  12.532   7.317
  327   1HD   PRO  43          2HD       PRO  43  -8.777  11.154   5.103
  328   2HD   PRO  43          1HD       PRO  43  -8.863  12.928   5.152
  329    HA   PRO  44           HA       PRO  44  -3.599   9.093   7.359
  330   1HB   PRO  44          2HB       PRO  44  -1.993  10.490   9.391
  331   2HB   PRO  44          1HB       PRO  44  -1.470   9.674   7.913
  332   1HG   PRO  44          2HG       PRO  44  -1.423  12.354   8.150
  333   2HG   PRO  44          1HG       PRO  44  -1.770  11.548   6.610
  334   1HD   PRO  44          2HD       PRO  44  -3.655  12.836   8.543
  335   2HD   PRO  44          1HD       PRO  44  -3.668  12.860   6.767
  336    H    LEU  45           H        LEU  45  -2.589   8.173   9.697
  337    HA   LEU  45           HA       LEU  45  -4.551   8.582  11.796
  338   1HB   LEU  45          2HB       LEU  45  -5.596   6.886  10.391
  339   2HB   LEU  45          1HB       LEU  45  -4.149   5.900  10.474
  340    HG   LEU  45           HG       LEU  45  -4.501   5.639  12.916
  341   1HD1  LEU  45          1HD1      LEU  45  -7.002   6.185  13.540
  342   2HD1  LEU  45          2HD1      LEU  45  -6.790   7.437  12.315
  343   3HD1  LEU  45          3HD1      LEU  45  -5.726   7.389  13.720
  344   1HD2  LEU  45          1HD2      LEU  45  -5.259   3.845  11.616
  345   2HD2  LEU  45          2HD2      LEU  45  -6.627   4.765  10.987
  346   3HD2  LEU  45          3HD2      LEU  45  -6.618   4.239  12.671
  347    H    GLY  46           H        GLY  46  -2.928   9.270  13.141
  348   1HA   GLY  46          2HA       GLY  46  -1.734   7.794  14.953
  349   2HA   GLY  46          1HA       GLY  46  -0.653   7.489  13.602
  350    HA   PRO  47           HA       PRO  47   1.118  11.263  15.340
  351   1HB   PRO  47          2HB       PRO  47   3.656  10.506  15.272
  352   2HB   PRO  47          1HB       PRO  47   2.531   9.796  16.435
  353   1HG   PRO  47          2HG       PRO  47   3.683   8.631  13.962
  354   2HG   PRO  47          1HG       PRO  47   3.182   7.825  15.457
  355   1HD   PRO  47          2HD       PRO  47   1.698   8.081  13.030
  356   2HD   PRO  47          1HD       PRO  47   1.157   7.361  14.559
  357    H    GLN  48           H        GLN  48   3.862  11.624  14.311
  358    HA   GLN  48           HA       GLN  48   5.045  12.594  12.664
  359   1HB   GLN  48          2HB       GLN  48   4.854  11.796  10.587
  360   2HB   GLN  48          1HB       GLN  48   3.618  10.751  11.265
  361   1HG   GLN  48          2HG       GLN  48   2.199  13.006  10.650
  362   2HG   GLN  48          1HG       GLN  48   3.395  12.950   9.362
  363   1HE2  GLN  48          1HE2      GLN  48   0.621  11.506  10.757
  364   2HE2  GLN  48          2HE2      GLN  48   0.378  10.304   9.561
  365    H    ASP  49           H        ASP  49   1.580  13.279  12.460
  366    HA   ASP  49           HA       ASP  49   1.294  15.760  13.253
  367   1HB   ASP  49          2HB       ASP  49   3.171  16.558  11.866
  368   2HB   ASP  49          1HB       ASP  49   2.335  16.007  10.417
  369    H    GLN  50           H        GLN  50   0.700  13.504  10.747
  370    HA   GLN  50           HA       GLN  50  -1.175  12.793   9.691
  371   1HB   GLN  50          2HB       GLN  50  -2.677  14.574  11.602
  372   2HB   GLN  50          1HB       GLN  50  -3.328  13.230  10.671
  373   1HG   GLN  50          2HG       GLN  50  -1.142  12.850  12.682
  374   2HG   GLN  50          1HG       GLN  50  -2.846  12.833  13.135
  375   1HE2  GLN  50          1HE2      GLN  50  -0.269  11.019  12.029
  376   2HE2  GLN  50          2HE2      GLN  50  -1.116   9.585  11.607
  377    HA   PRO  51           HA       PRO  51  -1.428  17.025   7.541
  378   1HB   PRO  51          2HB       PRO  51   0.437  15.916   5.574
  379   2HB   PRO  51          1HB       PRO  51   0.543  17.426   6.481
  380   1HG   PRO  51          2HG       PRO  51   2.185  15.345   6.964
  381   2HG   PRO  51          1HG       PRO  51   1.642  16.435   8.251
  382   1HD   PRO  51          2HD       PRO  51   0.625  13.711   7.515
  383   2HD   PRO  51          1HD       PRO  51   0.975  14.383   9.122
  384    H    ASP  52           H        ASP  52  -1.031  16.564   4.631
  385    HA   ASP  52           HA       ASP  52  -3.598  15.304   4.129
  386   1HB   ASP  52          2HB       ASP  52  -1.704  16.754   2.267
  387   2HB   ASP  52          1HB       ASP  52  -3.305  16.171   1.827
  388    H    TYR  53           H        TYR  53  -2.958  13.144   4.621
  389    HA   TYR  53           HA       TYR  53  -0.899  11.705   3.450
  390   1HB   TYR  53          2HB       TYR  53  -2.323  11.009   5.380
  391   2HB   TYR  53          1HB       TYR  53  -3.627  10.680   4.250
  392    HD1  TYR  53           1HD      TYR  53  -3.940   8.475   3.752
  393    HD2  TYR  53           2HD      TYR  53  -0.013   9.858   4.563
  394    HE1  TYR  53           1HE      TYR  53  -3.089   6.183   3.459
  395    HE2  TYR  53           2HE      TYR  53   0.862   7.574   4.272
  396    HH   TYR  53           HH       TYR  53   0.248   5.365   4.172
  397    H    LEU  54           H        LEU  54  -0.531  11.352   1.347
  398    HA   LEU  54           HA       LEU  54  -2.822  11.122  -0.481
  399   1HB   LEU  54          2HB       LEU  54  -1.036  12.822  -0.975
  400   2HB   LEU  54          1HB       LEU  54   0.087  11.495  -1.187
  401    HG   LEU  54           HG       LEU  54  -1.496  10.634  -2.988
  402   1HD1  LEU  54          1HD1      LEU  54  -3.480  11.744  -2.809
  403   2HD1  LEU  54          2HD1      LEU  54  -2.684  12.735  -4.030
  404   3HD1  LEU  54          3HD1      LEU  54  -2.717  13.265  -2.347
  405   1HD2  LEU  54          1HD2      LEU  54  -0.654  12.538  -4.575
  406   2HD2  LEU  54          2HD2      LEU  54   0.488  11.424  -3.822
  407   3HD2  LEU  54          3HD2      LEU  54   0.253  13.040  -3.149
  408    H    ASN  55           H        ASN  55  -3.441   9.034  -0.536
  409    HA   ASN  55           HA       ASN  55  -1.357   6.969  -0.689
  410   1HB   ASN  55          2HB       ASN  55  -3.035   6.772   1.132
  411   2HB   ASN  55          1HB       ASN  55  -4.300   6.632  -0.086
  412   1HD2  ASN  55          1HD2      ASN  55  -2.415   4.925   1.950
  413   2HD2  ASN  55          2HD2      ASN  55  -2.409   3.397   1.147
  414    H    ALA  56           H        ALA  56  -1.367   5.395  -2.277
  415    HA   ALA  56           HA       ALA  56  -3.363   5.358  -4.351
  416   1HB   ALA  56          1HB       ALA  56  -1.865   7.307  -4.922
  417   2HB   ALA  56          2HB       ALA  56  -2.019   6.071  -6.170
  418   3HB   ALA  56          3HB       ALA  56  -0.572   6.134  -5.164
  419    H    ALA  57           H        ALA  57  -3.639   3.201  -4.451
  420    HA   ALA  57           HA       ALA  57  -1.463   1.373  -3.998
  421   1HB   ALA  57          1HB       ALA  57  -3.182   0.126  -3.362
  422   2HB   ALA  57          2HB       ALA  57  -3.637  -0.036  -5.058
  423   3HB   ALA  57          3HB       ALA  57  -4.327   1.256  -4.080
  424    H    VAL  58           H        VAL  58  -0.894  -0.363  -5.533
  425    HA   VAL  58           HA       VAL  58  -1.418   0.168  -8.342
  426    HB   VAL  58           HB       VAL  58   0.996   0.110  -8.935
  427   1HG1  VAL  58          1HG1      VAL  58   1.463   2.485  -8.170
  428   2HG1  VAL  58          2HG1      VAL  58  -0.067   2.397  -7.298
  429   3HG1  VAL  58          3HG1      VAL  58  -0.041   2.226  -9.054
  430   1HG2  VAL  58          1HG2      VAL  58   1.881  -0.872  -6.897
  431   2HG2  VAL  58          2HG2      VAL  58   1.390   0.550  -5.976
  432   3HG2  VAL  58          3HG2      VAL  58   2.648   0.685  -7.205
  433    H    ALA  59           H        ALA  59  -1.767  -1.718  -9.341
  434    HA   ALA  59           HA       ALA  59  -1.121  -4.194  -8.037
  435   1HB   ALA  59          1HB       ALA  59  -3.104  -4.419  -9.138
  436   2HB   ALA  59          2HB       ALA  59  -2.016  -5.054 -10.369
  437   3HB   ALA  59          3HB       ALA  59  -2.604  -3.395 -10.482
  438    H    LEU  60           H        LEU  60   0.978  -4.698  -7.990
  439    HA   LEU  60           HA       LEU  60   2.671  -4.333 -10.328
  440   1HB   LEU  60          2HB       LEU  60   3.672  -3.695  -8.277
  441   2HB   LEU  60          1HB       LEU  60   3.168  -5.172  -7.482
  442    HG   LEU  60           HG       LEU  60   4.776  -6.452  -8.860
  443   1HD1  LEU  60          1HD1      LEU  60   5.437  -5.526 -10.772
  444   2HD1  LEU  60          2HD1      LEU  60   6.530  -4.543  -9.801
  445   3HD1  LEU  60          3HD1      LEU  60   4.947  -3.912 -10.256
  446   1HD2  LEU  60          1HD2      LEU  60   5.276  -5.197  -6.612
  447   2HD2  LEU  60          2HD2      LEU  60   6.340  -4.231  -7.632
  448   3HD2  LEU  60          3HD2      LEU  60   6.574  -5.975  -7.518
  449    H    GLU  61           H        GLU  61   2.811  -5.897 -11.837
  450    HA   GLU  61           HA       GLU  61   1.941  -8.586 -11.238
  451   1HB   GLU  61          2HB       GLU  61   1.530  -7.553 -13.462
  452   2HB   GLU  61          1HB       GLU  61   3.266  -7.486 -13.733
  453   1HG   GLU  61          2HG       GLU  61   3.384  -9.921 -13.637
  454   2HG   GLU  61          1HG       GLU  61   1.646  -9.995 -13.358
  455    H    THR  62           H        THR  62   3.348  -9.290  -9.671
  456    HA   THR  62           HA       THR  62   6.130  -9.672 -10.549
  457    HB   THR  62           HB       THR  62   6.174  -8.023  -8.840
  458    HG1  THR  62           1HG      THR  62   6.832  -9.715  -6.980
  459   1HG2  THR  62          1HG2      THR  62   4.599  -7.812  -7.315
  460   2HG2  THR  62          2HG2      THR  62   5.129  -9.314  -6.557
  461   3HG2  THR  62          3HG2      THR  62   3.892  -9.348  -7.813
  462    H    SER  63           H        SER  63   7.198 -11.507  -9.903
  463    HA   SER  63           HA       SER  63   5.508 -13.700  -8.902
  464   1HB   SER  63          2HB       SER  63   7.819 -13.858 -10.862
  465   2HB   SER  63          1HB       SER  63   6.919 -15.237 -10.234
  466    HG   SER  63           HG       SER  63   5.021 -14.019 -11.151
  467    H    LEU  64           H        LEU  64   7.828 -11.586  -8.149
  468    HA   LEU  64           HA       LEU  64   9.891 -13.112  -6.988
  469   1HB   LEU  64          2HB       LEU  64   9.764 -10.586  -7.463
  470   2HB   LEU  64          1HB       LEU  64   8.913 -10.461  -5.941
  471    HG   LEU  64           HG       LEU  64  11.365  -9.918  -5.861
  472   1HD1  LEU  64          1HD1      LEU  64   9.798 -10.964  -3.975
  473   2HD1  LEU  64          2HD1      LEU  64  11.496 -10.567  -3.707
  474   3HD1  LEU  64          3HD1      LEU  64  11.024 -12.230  -4.059
  475   1HD2  LEU  64          1HD2      LEU  64  12.936 -11.349  -6.523
  476   2HD2  LEU  64          2HD2      LEU  64  11.636 -12.267  -7.285
  477   3HD2  LEU  64          3HD2      LEU  64  12.186 -12.694  -5.664
  478    H    ALA  65           H        ALA  65  10.230 -13.738  -4.803
  479    HA   ALA  65           HA       ALA  65   8.212 -15.051  -3.521
  480   1HB   ALA  65          1HB       ALA  65  10.921 -14.271  -2.883
  481   2HB   ALA  65          2HB       ALA  65  10.034 -15.729  -2.438
  482   3HB   ALA  65          3HB       ALA  65   9.895 -14.275  -1.449
  483    HA   PRO  66           HA       PRO  66   5.505 -11.940  -1.879
  484   1HB   PRO  66          2HB       PRO  66   4.587 -13.441   0.261
  485   2HB   PRO  66          1HB       PRO  66   3.934 -13.495  -1.375
  486   1HG   PRO  66          2HG       PRO  66   5.888 -15.326  -0.056
  487   2HG   PRO  66          1HG       PRO  66   4.543 -15.721  -1.143
  488   1HD   PRO  66          2HD       PRO  66   7.065 -15.697  -2.026
  489   2HD   PRO  66          1HD       PRO  66   5.739 -15.087  -3.045
  490    H    GLU  67           H        GLU  67   7.972 -13.525  -0.038
  491    HA   GLU  67           HA       GLU  67   7.703 -11.760   2.238
  492   1HB   GLU  67          2HB       GLU  67   9.928 -13.049   2.837
  493   2HB   GLU  67          1HB       GLU  67   8.357 -13.822   3.005
  494   1HG   GLU  67          2HG       GLU  67   8.630 -14.972   0.930
  495   2HG   GLU  67          1HG       GLU  67  10.116 -14.095   0.579
  496    H    GLU  68           H        GLU  68   9.836 -12.224  -0.511
  497    HA   GLU  68           HA       GLU  68  11.585 -10.116   0.433
  498   1HB   GLU  68          2HB       GLU  68  12.519 -12.119  -0.673
  499   2HB   GLU  68          1HB       GLU  68  11.717 -11.640  -2.163
  500   1HG   GLU  68          2HG       GLU  68  13.003  -9.600  -2.237
  501   2HG   GLU  68          1HG       GLU  68  13.760  -9.993  -0.697
  502    H    LEU  69           H        LEU  69   8.883 -10.446  -1.695
  503    HA   LEU  69           HA       LEU  69   9.360  -8.262  -3.395
  504   1HB   LEU  69          2HB       LEU  69   7.626  -9.915  -3.827
  505   2HB   LEU  69          1HB       LEU  69   6.733  -9.396  -2.419
  506    HG   LEU  69           HG       LEU  69   5.817  -8.611  -4.618
  507   1HD1  LEU  69          1HD1      LEU  69   5.418  -7.455  -2.415
  508   2HD1  LEU  69          2HD1      LEU  69   5.202  -6.464  -3.858
  509   3HD1  LEU  69          3HD1      LEU  69   6.669  -6.306  -2.892
  510   1HD2  LEU  69          1HD2      LEU  69   8.079  -6.650  -4.682
  511   2HD2  LEU  69          2HD2      LEU  69   6.906  -7.038  -5.942
  512   3HD2  LEU  69          3HD2      LEU  69   8.175  -8.193  -5.531
  513    H    LEU  70           H        LEU  70   7.267  -8.409  -0.489
  514    HA   LEU  70           HA       LEU  70   6.907  -5.648  -0.244
  515   1HB   LEU  70          2HB       LEU  70   5.544  -7.065   1.103
  516   2HB   LEU  70          1HB       LEU  70   6.938  -7.867   1.801
  517    HG   LEU  70           HG       LEU  70   6.520  -4.942   2.310
  518   1HD1  LEU  70          1HD1      LEU  70   5.014  -5.275   4.032
  519   2HD1  LEU  70          2HD1      LEU  70   5.347  -7.005   4.130
  520   3HD1  LEU  70          3HD1      LEU  70   4.405  -6.363   2.783
  521   1HD2  LEU  70          1HD2      LEU  70   8.558  -5.647   3.164
  522   2HD2  LEU  70          2HD2      LEU  70   7.934  -7.231   3.625
  523   3HD2  LEU  70          3HD2      LEU  70   7.488  -5.801   4.555
  524    H    ASN  71           H        ASN  71   9.383  -7.819   1.001
  525    HA   ASN  71           HA       ASN  71  10.887  -6.001   2.485
  526   1HB   ASN  71          2HB       ASN  71  11.246  -8.441   2.546
  527   2HB   ASN  71          1HB       ASN  71  11.887  -8.383   0.906
  528   1HD2  ASN  71          1HD2      ASN  71  12.664  -8.384   4.115
  529   2HD2  ASN  71          2HD2      ASN  71  14.271  -7.759   4.016
  530    H    HIS  72           H        HIS  72  10.697  -6.530  -0.964
  531    HA   HIS  72           HA       HIS  72  13.041  -5.008  -1.599
  532   1HB   HIS  72          2HB       HIS  72  10.747  -6.100  -3.206
  533   2HB   HIS  72          1HB       HIS  72  11.860  -4.942  -3.922
  534    HD1  HIS  72           1HD      HIS  72  14.540  -5.914  -3.004
  535    HD2  HIS  72           2HD      HIS  72  11.510  -8.491  -4.208
  536    HE1  HIS  72           1HE      HIS  72  15.700  -8.028  -3.718
  537    HE2  HIS  72           2HE      HIS  72  13.854  -9.536  -4.533
  538    H    THR  73           H        THR  73   9.535  -4.441  -1.817
  539    HA   THR  73           HA       THR  73   9.640  -1.770  -2.606
  540    HB   THR  73           HB       THR  73   7.382  -1.567  -1.644
  541    HG1  THR  73           1HG      THR  73   6.549  -3.506  -0.607
  542   1HG2  THR  73          1HG2      THR  73   6.255  -3.369  -2.811
  543   2HG2  THR  73          2HG2      THR  73   7.782  -4.238  -2.962
  544   3HG2  THR  73          3HG2      THR  73   7.559  -2.697  -3.789
  545    H    GLN  74           H        GLN  74  10.482  -3.245   0.364
  546    HA   GLN  74           HA       GLN  74  10.077  -1.118   2.160
  547   1HB   GLN  74          2HB       GLN  74  12.088  -3.373   2.184
  548   2HB   GLN  74          1HB       GLN  74  11.881  -2.244   3.515
  549   1HG   GLN  74          2HG       GLN  74   9.757  -4.085   2.447
  550   2HG   GLN  74          1HG       GLN  74  10.736  -4.379   3.877
  551   1HE2  GLN  74          1HE2      GLN  74  10.237  -1.150   3.866
  552   2HE2  GLN  74          2HE2      GLN  74   8.810  -1.064   4.829
  553    H    ARG  75           H        ARG  75  12.911  -2.012   0.191
  554    HA   ARG  75           HA       ARG  75  14.624  -0.023   1.163
  555   1HB   ARG  75          2HB       ARG  75  16.035  -0.464  -0.692
  556   2HB   ARG  75          1HB       ARG  75  15.285  -1.991  -0.262
  557   1HG   ARG  75          2HG       ARG  75  13.697  -1.728  -2.097
  558   2HG   ARG  75          1HG       ARG  75  14.454  -0.199  -2.530
  559   1HD   ARG  75          2HD       ARG  75  15.289  -1.908  -3.990
  560   2HD   ARG  75          1HD       ARG  75  16.584  -1.415  -2.903
  561    HE   ARG  75           HE       ARG  75  15.292  -3.999  -3.032
  562   1HH1  ARG  75          1HH1      ARG  75  17.341  -1.865  -1.181
  563   2HH1  ARG  75          2HH1      ARG  75  17.958  -3.130  -0.173
  564   1HH2  ARG  75          1HH2      ARG  75  16.104  -5.661  -1.709
  565   2HH2  ARG  75          2HH2      ARG  75  17.258  -5.285  -0.473
  566    H    ILE  76           H        ILE  76  12.152   0.081  -1.334
  567    HA   ILE  76           HA       ILE  76  12.821   2.462  -2.594
  568    HB   ILE  76           HB       ILE  76  10.107   1.272  -2.024
  569   1HG1  ILE  76          2HG1      ILE  76  10.177   0.831  -4.492
  570   2HG1  ILE  76          1HG1      ILE  76  11.834   1.419  -4.504
  571   1HG2  ILE  76          1HG2      ILE  76  10.788   3.911  -3.059
  572   2HG2  ILE  76          2HG2      ILE  76   9.252   3.290  -2.455
  573   3HG2  ILE  76          3HG2      ILE  76   9.731   2.987  -4.125
  574   1HD1  ILE  76          1HD1      ILE  76  12.490  -0.650  -4.104
  575   2HD1  ILE  76          2HD1      ILE  76  10.826  -1.183  -3.871
  576   3HD1  ILE  76          3HD1      ILE  76  11.742  -0.537  -2.512
  577    H    GLU  77           H        GLU  77  11.302   1.883   0.498
  578    HA   GLU  77           HA       GLU  77  10.399   4.517   0.999
  579   1HB   GLU  77          2HB       GLU  77   9.775   2.361   2.213
  580   2HB   GLU  77          1HB       GLU  77  11.278   2.536   3.098
  581   1HG   GLU  77          2HG       GLU  77  10.525   4.651   4.004
  582   2HG   GLU  77          1HG       GLU  77   9.051   4.560   3.044
  583    H    LEU  78           H        LEU  78  13.439   2.844   1.543
  584    HA   LEU  78           HA       LEU  78  14.647   5.011   3.000
  585   1HB   LEU  78          2HB       LEU  78  15.864   2.576   1.685
  586   2HB   LEU  78          1HB       LEU  78  16.731   3.690   2.723
  587    HG   LEU  78           HG       LEU  78  14.397   1.983   3.588
  588   1HD1  LEU  78          1HD1      LEU  78  17.338   1.687   4.179
  589   2HD1  LEU  78          2HD1      LEU  78  16.407   0.668   3.080
  590   3HD1  LEU  78          3HD1      LEU  78  16.036   0.675   4.805
  591   1HD2  LEU  78          1HD2      LEU  78  16.288   3.442   5.394
  592   2HD2  LEU  78          2HD2      LEU  78  14.674   2.817   5.736
  593   3HD2  LEU  78          3HD2      LEU  78  14.868   4.252   4.730
  594    H    GLN  79           H        GLN  79  14.831   3.710  -0.288
  595    HA   GLN  79           HA       GLN  79  16.779   5.460  -1.287
  596   1HB   GLN  79          2HB       GLN  79  14.484   4.204  -2.803
  597   2HB   GLN  79          1HB       GLN  79  15.977   4.828  -3.496
  598   1HG   GLN  79          2HG       GLN  79  17.232   3.128  -2.235
  599   2HG   GLN  79          1HG       GLN  79  15.709   2.473  -1.650
  600   1HE2  GLN  79          1HE2      GLN  79  15.033   3.516  -4.661
  601   2HE2  GLN  79          2HE2      GLN  79  15.340   2.072  -5.555
  602    H    GLN  80           H        GLN  80  13.367   5.873  -0.710
  603    HA   GLN  80           HA       GLN  80  13.187   8.298  -2.273
  604   1HB   GLN  80          2HB       GLN  80  11.256   6.759  -2.020
  605   2HB   GLN  80          1HB       GLN  80  11.229   7.102  -0.298
  606   1HG   GLN  80          2HG       GLN  80   9.522   8.362  -1.453
  607   2HG   GLN  80          1HG       GLN  80  10.735   9.445  -0.770
  608   1HE2  GLN  80          1HE2      GLN  80   8.926   8.778  -3.445
  609   2HE2  GLN  80          2HE2      GLN  80   9.850   9.629  -4.634
  610    H    GLY  81           H        GLY  81  14.211   7.365   0.803
  611   1HA   GLY  81          2HA       GLY  81  15.320   8.754   2.323
  612   2HA   GLY  81          1HA       GLY  81  14.556  10.149   1.574
  613    H    ARG  82           H        ARG  82  13.427   7.170   3.237
  614    HA   ARG  82           HA       ARG  82  11.102   8.293   4.254
  615   1HB   ARG  82          2HB       ARG  82  10.838   6.181   4.931
  616   2HB   ARG  82          1HB       ARG  82  12.518   5.845   4.547
  617   1HG   ARG  82          2HG       ARG  82  13.215   6.338   6.754
  618   2HG   ARG  82          1HG       ARG  82  11.644   7.025   7.169
  619   1HD   ARG  82          2HD       ARG  82  11.913   4.789   8.110
  620   2HD   ARG  82          1HD       ARG  82  10.606   4.838   6.925
  621    HE   ARG  82           HE       ARG  82  12.932   4.051   5.601
  622   1HH1  ARG  82          1HH1      ARG  82  10.799   2.859   8.085
  623   2HH1  ARG  82          2HH1      ARG  82  11.096   1.194   7.719
  624   1HH2  ARG  82          1HH2      ARG  82  13.325   1.855   5.112
  625   2HH2  ARG  82          2HH2      ARG  82  12.531   0.623   6.033
  626    H    VAL  83           H        VAL  83  10.707   9.758   5.734
  627    HA   VAL  83           HA       VAL  83  12.857  11.034   7.125
  628    HB   VAL  83           HB       VAL  83   9.905  11.538   7.459
  629   1HG1  VAL  83          1HG1      VAL  83  12.181  12.645   8.685
  630   2HG1  VAL  83          2HG1      VAL  83  10.511  13.204   8.795
  631   3HG1  VAL  83          3HG1      VAL  83  11.581  13.855   7.552
  632   1HG2  VAL  83          1HG2      VAL  83  11.109  11.568   5.056
  633   2HG2  VAL  83          2HG2      VAL  83  11.496  13.201   5.605
  634   3HG2  VAL  83          3HG2      VAL  83   9.814  12.683   5.505
  635    H    ARG  84           H        ARG  84  13.705   9.715   8.644
  636    HA   ARG  84           HA       ARG  84  12.506   7.934  10.316
  637   1HB   ARG  84          2HB       ARG  84  14.430   8.096  11.756
  638   2HB   ARG  84          1HB       ARG  84  14.942   8.213  10.082
  639   1HG   ARG  84          2HG       ARG  84  14.642  10.527  11.988
  640   2HG   ARG  84          1HG       ARG  84  16.160   9.753  11.535
  641   1HD   ARG  84          2HD       ARG  84  14.286  11.288   9.741
  642   2HD   ARG  84          1HD       ARG  84  15.897  11.774  10.262
  643    HE   ARG  84           HE       ARG  84  15.289  10.167   8.038
  644   1HH1  ARG  84          1HH1      ARG  84  17.558  10.344  10.681
  645   2HH1  ARG  84          2HH1      ARG  84  18.817   9.524   9.821
  646   1HH2  ARG  84          1HH2      ARG  84  16.941   9.089   6.903
  647   2HH2  ARG  84          2HH2      ARG  84  18.467   8.812   7.675
  648    H    LYS  85           H        LYS  85  10.784   8.212  11.491
  649    HA   LYS  85           HA       LYS  85  10.791  10.112  13.674
  650   1HB   LYS  85          2HB       LYS  85   8.609  10.151  11.572
  651   2HB   LYS  85          1HB       LYS  85   8.521  10.978  13.119
  652   1HG   LYS  85          2HG       LYS  85  10.475  12.333  12.481
  653   2HG   LYS  85          1HG       LYS  85  10.487  11.534  10.908
  654   1HD   LYS  85          2HD       LYS  85   9.371  13.670  10.720
  655   2HD   LYS  85          1HD       LYS  85   8.193  12.373  10.507
  656   1HE   LYS  85          2HE       LYS  85   7.483  12.639  12.834
  657   2HE   LYS  85          1HE       LYS  85   8.664  13.930  13.049
  658   1HZ   LYS  85          1HZ       LYS  85   6.465  14.822  12.639
  659   2HZ   LYS  85          2HZ       LYS  85   6.361  13.984  11.175
  660   3HZ   LYS  85          3HZ       LYS  85   7.501  15.218  11.361
  661    H    ALA  86           H        ALA  86   8.306   9.779  14.693
  662    HA   ALA  86           HA       ALA  86   8.349   7.010  15.468
  663   1HB   ALA  86          1HB       ALA  86   7.765   9.024  16.945
  664   2HB   ALA  86          2HB       ALA  86   6.772   7.576  17.105
  665   3HB   ALA  86          3HB       ALA  86   6.176   8.957  16.182
  666    H    GLU  87           H        GLU  87   7.496   5.470  14.231
  667    HA   GLU  87           HA       GLU  87   4.986   6.052  12.805
  668   1HB   GLU  87          2HB       GLU  87   6.794   5.900  11.197
  669   2HB   GLU  87          1HB       GLU  87   7.307   4.358  11.870
  670   1HG   GLU  87          2HG       GLU  87   5.141   3.384  11.182
  671   2HG   GLU  87          1HG       GLU  87   4.727   4.920  10.424
  672    H    ARG  88           H        ARG  88   3.856   5.200  14.654
  673    HA   ARG  88           HA       ARG  88   4.149   2.301  15.025
  674   1HB   ARG  88          2HB       ARG  88   4.261   3.781  17.044
  675   2HB   ARG  88          1HB       ARG  88   2.593   4.246  16.738
  676   1HG   ARG  88          2HG       ARG  88   2.728   2.533  18.456
  677   2HG   ARG  88          1HG       ARG  88   1.883   1.930  17.028
  678   1HD   ARG  88          2HD       ARG  88   3.922   0.802  16.293
  679   2HD   ARG  88          1HD       ARG  88   4.781   1.422  17.701
  680    HE   ARG  88           HE       ARG  88   3.160  -0.884  17.611
  681   1HH1  ARG  88          1HH1      ARG  88   3.904   1.833  19.664
  682   2HH1  ARG  88          2HH1      ARG  88   3.504   0.999  21.128
  683   1HH2  ARG  88          1HH2      ARG  88   2.634  -1.988  19.533
  684   2HH2  ARG  88          2HH2      ARG  88   2.783  -1.172  21.053
  685    H    TRP  89           H        TRP  89   1.672   4.808  14.590
  686    HA   TRP  89           HA       TRP  89  -0.095   2.758  13.424
  687   1HB   TRP  89          2HB       TRP  89  -0.765   5.208  15.054
  688   2HB   TRP  89          1HB       TRP  89  -1.963   4.386  14.062
  689    HD1  TRP  89           HD       TRP  89   0.653   2.639  16.320
  690    HE1  TRP  89           1HE      TRP  89  -0.620   1.251  18.075
  691    HE3  TRP  89           3HE      TRP  89  -4.119   4.066  15.177
  692    HZ2  TRP  89           2HZ      TRP  89  -3.296   0.819  18.870
  693    HZ3  TRP  89           3HZ      TRP  89  -5.980   3.121  16.481
  694    HH2  TRP  89           HH       TRP  89  -5.575   1.531  18.289
  695    H    GLY  90           H        GLY  90   1.179   6.018  13.184
  696   1HA   GLY  90          2HA       GLY  90  -0.279   6.537  10.719
  697   2HA   GLY  90          1HA       GLY  90   0.776   7.657  11.558
  698    HA   PRO  91           HA       PRO  91   2.971   5.830   7.825
  699   1HB   PRO  91          2HB       PRO  91   2.876   8.467   6.612
  700   2HB   PRO  91          1HB       PRO  91   2.228   6.943   6.000
  701   1HG   PRO  91          2HG       PRO  91   0.644   8.992   6.814
  702   2HG   PRO  91          1HG       PRO  91   0.160   7.294   6.945
  703   1HD   PRO  91          2HD       PRO  91   1.288   9.105   9.053
  704   2HD   PRO  91          1HD       PRO  91  -0.077   7.970   9.163
  705    H    ARG  92           H        ARG  92   3.324   9.218   8.877
  706    HA   ARG  92           HA       ARG  92   5.050  10.351   9.776
  707   1HB   ARG  92          2HB       ARG  92   6.110   9.052  11.229
  708   2HB   ARG  92          1HB       ARG  92   5.816   7.623  10.259
  709   1HG   ARG  92          2HG       ARG  92   8.048   9.461   9.531
  710   2HG   ARG  92          1HG       ARG  92   8.243   8.328  10.869
  711   1HD   ARG  92          2HD       ARG  92   7.445   6.537   9.270
  712   2HD   ARG  92          1HD       ARG  92   7.661   7.725   7.987
  713    HE   ARG  92           HE       ARG  92   9.901   7.316   8.079
  714   1HH1  ARG  92          1HH1      ARG  92   8.471   6.333  11.100
  715   2HH1  ARG  92          2HH1      ARG  92   9.959   5.739  11.761
  716   1HH2  ARG  92          1HH2      ARG  92  11.867   6.534   8.946
  717   2HH2  ARG  92          2HH2      ARG  92  11.884   5.853  10.538
  718    H    THR  93           H        THR  93   4.853   9.118   6.806
  719    HA   THR  93           HA       THR  93   5.880  11.039   5.338
  720    HB   THR  93           HB       THR  93   8.069  11.001   6.300
  721    HG1  THR  93           1HG      THR  93   9.298  10.696   4.447
  722   1HG2  THR  93          1HG2      THR  93   9.446   9.238   6.638
  723   2HG2  THR  93          2HG2      THR  93   8.764   8.298   5.315
  724   3HG2  THR  93          3HG2      THR  93   7.893   8.435   6.843
  725    H    LEU  94           H        LEU  94   6.630   7.519   5.338
  726    HA   LEU  94           HA       LEU  94   4.775   6.999   3.278
  727   1HB   LEU  94          2HB       LEU  94   6.163   6.506   1.411
  728   2HB   LEU  94          1HB       LEU  94   6.543   8.135   1.927
  729    HG   LEU  94           HG       LEU  94   8.220   5.749   2.685
  730   1HD1  LEU  94          1HD1      LEU  94   8.980   7.682   0.540
  731   2HD1  LEU  94          2HD1      LEU  94   7.948   6.307   0.155
  732   3HD1  LEU  94          3HD1      LEU  94   9.556   6.040   0.829
  733   1HD2  LEU  94          1HD2      LEU  94   8.501   8.719   2.916
  734   2HD2  LEU  94          2HD2      LEU  94   9.926   7.680   2.846
  735   3HD2  LEU  94          3HD2      LEU  94   8.746   7.475   4.142
  736    H    ASP  95           H        ASP  95   4.637   4.764   2.751
  737    HA   ASP  95           HA       ASP  95   6.424   2.846   3.864
  738   1HB   ASP  95          2HB       ASP  95   5.325   3.572   5.941
  739   2HB   ASP  95          1HB       ASP  95   3.751   3.210   5.241
  740    H    LEU  96           H        LEU  96   6.361   1.884   1.873
  741    HA   LEU  96           HA       LEU  96   3.778   0.978   0.849
  742   1HB   LEU  96          2HB       LEU  96   4.951   0.428  -1.212
  743   2HB   LEU  96          1HB       LEU  96   5.242   2.092  -0.751
  744    HG   LEU  96           HG       LEU  96   7.214  -0.131  -0.234
  745   1HD1  LEU  96          1HD1      LEU  96   8.435   0.981  -2.175
  746   2HD1  LEU  96          2HD1      LEU  96   6.881   1.701  -2.590
  747   3HD1  LEU  96          3HD1      LEU  96   7.063  -0.053  -2.573
  748   1HD2  LEU  96          1HD2      LEU  96   7.193   2.823   0.139
  749   2HD2  LEU  96          2HD2      LEU  96   8.705   2.042  -0.324
  750   3HD2  LEU  96          3HD2      LEU  96   7.881   1.561   1.160
  751    H    ASP  97           H        ASP  97   3.085  -0.901   1.596
  752    HA   ASP  97           HA       ASP  97   4.974  -3.144   1.769
  753   1HB   ASP  97          2HB       ASP  97   3.138  -2.119   3.909
  754   2HB   ASP  97          1HB       ASP  97   3.593  -3.817   3.871
  755    H    ILE  98           H        ILE  98   4.009  -5.246   1.687
  756    HA   ILE  98           HA       ILE  98   1.947  -5.477  -0.217
  757    HB   ILE  98           HB       ILE  98   3.403  -7.441   1.514
  758   1HG1  ILE  98          2HG1      ILE  98   4.348  -6.645  -0.628
  759   2HG1  ILE  98          1HG1      ILE  98   4.054  -8.378  -0.630
  760   1HG2  ILE  98          1HG2      ILE  98   1.235  -8.366   1.685
  761   2HG2  ILE  98          2HG2      ILE  98   2.042  -9.264   0.400
  762   3HG2  ILE  98          3HG2      ILE  98   0.866  -8.013  -0.003
  763   1HD1  ILE  98          1HD1      ILE  98   3.439  -7.178  -2.734
  764   2HD1  ILE  98          2HD1      ILE  98   2.161  -6.373  -1.823
  765   3HD1  ILE  98          3HD1      ILE  98   2.142  -8.126  -2.010
  766    H    MET  99           H        MET  99  -0.093  -5.025   0.097
  767    HA   MET  99           HA       MET  99  -1.297  -5.528   2.731
  768   1HB   MET  99          2HB       MET  99  -2.320  -3.801   0.465
  769   2HB   MET  99          1HB       MET  99  -3.049  -3.957   2.055
  770   1HG   MET  99          2HG       MET  99  -0.356  -2.768   1.428
  771   2HG   MET  99          1HG       MET  99  -1.814  -1.892   1.894
  772   1HE   MET  99          1HE       MET  99  -2.567  -3.937   5.052
  773   2HE   MET  99          2HE       MET  99  -3.189  -2.903   3.765
  774   3HE   MET  99          3HE       MET  99  -2.503  -2.183   5.221
  775    H    LEU 100           H        LEU 100  -1.119  -6.607  -0.465
  776    HA   LEU 100           HA       LEU 100  -2.981  -8.726   0.018
  777   1HB   LEU 100          2HB       LEU 100  -3.870  -6.348  -1.411
  778   2HB   LEU 100          1HB       LEU 100  -4.067  -7.802  -2.370
  779    HG   LEU 100           HG       LEU 100  -5.225  -7.291   0.375
  780   1HD1  LEU 100          1HD1      LEU 100  -6.542  -6.094  -1.111
  781   2HD1  LEU 100          2HD1      LEU 100  -7.370  -7.646  -0.999
  782   3HD1  LEU 100          3HD1      LEU 100  -6.354  -7.290  -2.394
  783   1HD2  LEU 100          1HD2      LEU 100  -5.671  -9.690  -1.383
  784   2HD2  LEU 100          2HD2      LEU 100  -6.244  -9.433   0.264
  785   3HD2  LEU 100          3HD2      LEU 100  -4.523  -9.662  -0.044
  786    H    PHE 101           H        PHE 101  -1.526 -10.225  -0.554
  787    HA   PHE 101           HA       PHE 101  -0.416 -10.055  -3.279
  788   1HB   PHE 101          2HB       PHE 101   1.233  -9.834  -1.353
  789   2HB   PHE 101          1HB       PHE 101   0.865 -11.511  -0.964
  790    HD1  PHE 101           1HD      PHE 101   1.895 -13.267  -2.109
  791    HD2  PHE 101           2HD      PHE 101   2.203  -9.297  -3.604
  792    HE1  PHE 101           1HE      PHE 101   3.590 -14.013  -3.735
  793    HE2  PHE 101           2HE      PHE 101   3.892 -10.033  -5.235
  794    HZ   PHE 101           HZ       PHE 101   4.588 -12.396  -5.300
  795    H    GLY 102           H        GLY 102  -2.113 -11.228  -4.206
  796   1HA   GLY 102          2HA       GLY 102  -3.213 -13.116  -4.909
  797   2HA   GLY 102          1HA       GLY 102  -1.815 -14.006  -4.326
  798    H    ASN 103           H        ASN 103  -2.661 -15.690  -3.250
  799    HA   ASN 103           HA       ASN 103  -4.595 -15.082  -1.112
  800   1HB   ASN 103          2HB       ASN 103  -5.543 -17.334  -1.428
  801   2HB   ASN 103          1HB       ASN 103  -5.700 -16.346  -2.874
  802   1HD2  ASN 103          1HD2      ASN 103  -2.526 -17.119  -2.742
  803   2HD2  ASN 103          2HD2      ASN 103  -2.535 -18.559  -3.691
  804    H    GLU 104           H        GLU 104  -1.494 -15.707  -1.545
  805    HA   GLU 104           HA       GLU 104  -0.975 -17.937   0.120
  806   1HB   GLU 104          2HB       GLU 104   1.301 -16.571   0.402
  807   2HB   GLU 104          1HB       GLU 104   0.922 -17.516  -1.026
  808   1HG   GLU 104          2HG       GLU 104   0.242 -14.606  -0.852
  809   2HG   GLU 104          1HG       GLU 104   1.848 -15.150  -1.332
  810    H    VAL 105           H        VAL 105   0.214 -17.807   2.185
  811    HA   VAL 105           HA       VAL 105  -0.445 -15.511   3.856
  812    HB   VAL 105           HB       VAL 105  -1.343 -18.322   4.502
  813   1HG1  VAL 105          1HG1      VAL 105  -1.028 -15.883   6.175
  814   2HG1  VAL 105          2HG1      VAL 105  -0.803 -17.580   6.598
  815   3HG1  VAL 105          3HG1      VAL 105  -2.430 -16.913   6.465
  816   1HG2  VAL 105          1HG2      VAL 105  -2.966 -17.459   3.084
  817   2HG2  VAL 105          2HG2      VAL 105  -2.790 -15.821   3.714
  818   3HG2  VAL 105          3HG2      VAL 105  -3.590 -17.059   4.684
  819    H    ILE 106           H        ILE 106   1.822 -15.204   3.891
  820    HA   ILE 106           HA       ILE 106   3.217 -17.056   5.696
  821    HB   ILE 106           HB       ILE 106   4.444 -15.780   3.246
  822   1HG1  ILE 106          2HG1      ILE 106   3.848 -18.685   3.857
  823   2HG1  ILE 106          1HG1      ILE 106   2.945 -17.678   2.732
  824   1HG2  ILE 106          1HG2      ILE 106   5.782 -16.218   5.484
  825   2HG2  ILE 106          2HG2      ILE 106   6.494 -16.545   3.902
  826   3HG2  ILE 106          3HG2      ILE 106   5.819 -17.866   4.857
  827   1HD1  ILE 106          1HD1      ILE 106   4.332 -18.258   1.118
  828   2HD1  ILE 106          2HD1      ILE 106   5.255 -19.242   2.254
  829   3HD1  ILE 106          3HD1      ILE 106   5.678 -17.547   2.009
  830    H    ASN 107           H        ASN 107   4.349 -16.110   7.293
  831    HA   ASN 107           HA       ASN 107   4.688 -13.182   7.220
  832   1HB   ASN 107          2HB       ASN 107   3.928 -14.902   9.593
  833   2HB   ASN 107          1HB       ASN 107   4.324 -13.194   9.686
  834   1HD2  ASN 107          1HD2      ASN 107   2.765 -13.431   6.844
  835   2HD2  ASN 107          2HD2      ASN 107   1.146 -13.153   7.360
  836    H    THR 108           H        THR 108   6.762 -12.634   7.260
  837    HA   THR 108           HA       THR 108   8.653 -14.461   8.597
  838    HB   THR 108           HB       THR 108  10.391 -13.578   7.118
  839    HG1  THR 108           1HG      THR 108   8.614 -11.642   6.707
  840   1HG2  THR 108          1HG2      THR 108   8.017 -14.917   6.067
  841   2HG2  THR 108          2HG2      THR 108   9.728 -15.317   5.891
  842   3HG2  THR 108          3HG2      THR 108   8.995 -14.097   4.848
  843    H    GLU 109           H        GLU 109  10.333 -11.741   7.848
  844    HA   GLU 109           HA       GLU 109  10.142 -10.763  10.593
  845   1HB   GLU 109          2HB       GLU 109  12.119 -10.103   8.398
  846   2HB   GLU 109          1HB       GLU 109  12.200  -9.501  10.048
  847   1HG   GLU 109          2HG       GLU 109  12.463 -11.790  10.867
  848   2HG   GLU 109          1HG       GLU 109  12.397 -12.385   9.209
  849    H    ARG 110           H        ARG 110   9.817  -9.648   7.270
  850    HA   ARG 110           HA       ARG 110   8.440  -7.248   8.275
  851   1HB   ARG 110          2HB       ARG 110  10.298  -7.506   5.911
  852   2HB   ARG 110          1HB       ARG 110   9.241  -6.126   6.158
  853   1HG   ARG 110          2HG       ARG 110  11.414  -7.028   8.041
  854   2HG   ARG 110          1HG       ARG 110  11.521  -5.677   6.910
  855   1HD   ARG 110          2HD       ARG 110   9.609  -5.928   9.231
  856   2HD   ARG 110          1HD       ARG 110  11.022  -4.874   9.147
  857    HE   ARG 110           HE       ARG 110   9.355  -4.279   6.983
  858   1HH1  ARG 110          1HH1      ARG 110   9.358  -4.042  10.462
  859   2HH1  ARG 110          2HH1      ARG 110   8.315  -2.659  10.496
  860   1HH2  ARG 110          1HH2      ARG 110   7.982  -2.461   7.022
  861   2HH2  ARG 110          2HH2      ARG 110   7.532  -1.763   8.541
  862    H    LEU 111           H        LEU 111   8.448  -9.969   6.191
  863    HA   LEU 111           HA       LEU 111   6.567  -9.192   4.274
  864   1HB   LEU 111          2HB       LEU 111   7.641 -11.172   3.754
  865   2HB   LEU 111          1HB       LEU 111   7.456 -11.818   5.375
  866    HG   LEU 111           HG       LEU 111   5.080 -12.218   4.963
  867   1HD1  LEU 111          1HD1      LEU 111   5.669 -10.777   2.441
  868   2HD1  LEU 111          2HD1      LEU 111   4.245 -10.710   3.480
  869   3HD1  LEU 111          3HD1      LEU 111   4.484 -12.084   2.400
  870   1HD2  LEU 111          1HD2      LEU 111   6.436 -13.422   2.610
  871   2HD2  LEU 111          2HD2      LEU 111   5.335 -14.156   3.777
  872   3HD2  LEU 111          3HD2      LEU 111   7.004 -13.811   4.234
  873    H    THR 112           H        THR 112   4.509  -8.741   4.394
  874    HA   THR 112           HA       THR 112   2.866  -9.986   6.460
  875    HB   THR 112           HB       THR 112   1.653  -7.727   6.594
  876    HG1  THR 112           1HG      THR 112   3.033  -5.939   6.199
  877   1HG2  THR 112          1HG2      THR 112   2.575  -7.510   8.584
  878   2HG2  THR 112          2HG2      THR 112   4.120  -7.041   7.874
  879   3HG2  THR 112          3HG2      THR 112   3.746  -8.747   8.124
  880    H    VAL 113           H        VAL 113   1.311 -11.047   5.447
  881    HA   VAL 113           HA       VAL 113   0.526 -10.304   2.754
  882    HB   VAL 113           HB       VAL 113   0.767 -12.714   4.054
  883   1HG1  VAL 113          1HG1      VAL 113  -2.119 -11.945   4.146
  884   2HG1  VAL 113          2HG1      VAL 113  -1.118 -12.685   5.395
  885   3HG1  VAL 113          3HG1      VAL 113  -1.622 -13.629   3.995
  886   1HG2  VAL 113          1HG2      VAL 113   0.775 -13.235   1.910
  887   2HG2  VAL 113          2HG2      VAL 113  -0.140 -11.786   1.494
  888   3HG2  VAL 113          3HG2      VAL 113  -0.987 -13.260   1.964
  889    HA   PRO 114           HA       PRO 114  -3.522  -8.246   3.225
  890   1HB   PRO 114          2HB       PRO 114  -4.652 -10.816   4.292
  891   2HB   PRO 114          1HB       PRO 114  -5.406  -9.619   3.232
  892   1HG   PRO 114          2HG       PRO 114  -4.102 -11.938   2.379
  893   2HG   PRO 114          1HG       PRO 114  -4.483 -10.538   1.366
  894   1HD   PRO 114          2HD       PRO 114  -1.906 -11.460   2.045
  895   2HD   PRO 114          1HD       PRO 114  -2.294  -9.897   1.302
  896    H    HIS 115           H        HIS 115  -2.435  -7.084   4.841
  897    HA   HIS 115           HA       HIS 115  -2.371  -7.957   7.563
  898   1HB   HIS 115          2HB       HIS 115  -0.577  -6.615   6.594
  899   2HB   HIS 115          1HB       HIS 115  -1.708  -5.321   6.242
  900    HD1  HIS 115           1HD      HIS 115  -1.200  -7.191   9.518
  901    HD2  HIS 115           2HD      HIS 115  -0.905  -3.368   7.914
  902    HE1  HIS 115           1HE      HIS 115  -0.637  -5.688  11.458
  903    HE2  HIS 115           2HE      HIS 115  -0.431  -3.385  10.458
  904    H    TYR 116           H        TYR 116  -3.900  -7.692   9.036
  905    HA   TYR 116           HA       TYR 116  -6.368  -6.465   8.481
  906   1HB   TYR 116          2HB       TYR 116  -6.471  -6.479  11.143
  907   2HB   TYR 116          1HB       TYR 116  -6.641  -7.954  10.201
  908    HD1  TYR 116           1HD      TYR 116  -3.513  -6.080  11.059
  909    HD2  TYR 116           2HD      TYR 116  -5.826  -9.613  11.600
  910    HE1  TYR 116           1HE      TYR 116  -1.661  -7.097  12.314
  911    HE2  TYR 116           2HE      TYR 116  -3.976 -10.638  12.853
  912    HH   TYR 116           HH       TYR 116  -1.171 -10.081  12.778
  913    H    ASP 117           H        ASP 117  -6.038  -4.442   7.704
  914    HA   ASP 117           HA       ASP 117  -5.935  -2.293   9.543
  915   1HB   ASP 117          2HB       ASP 117  -3.469  -3.105   9.319
  916   2HB   ASP 117          1HB       ASP 117  -3.543  -2.394   7.713
  917    H    MET 118           H        MET 118  -5.682  -3.552   6.320
  918    HA   MET 118           HA       MET 118  -6.291  -1.064   4.998
  919   1HB   MET 118          2HB       MET 118  -6.170  -2.370   2.963
  920   2HB   MET 118          1HB       MET 118  -4.814  -2.787   4.007
  921   1HG   MET 118          2HG       MET 118  -5.868  -4.826   4.671
  922   2HG   MET 118          1HG       MET 118  -7.350  -4.392   3.821
  923   1HE   MET 118          1HE       MET 118  -6.186  -7.087   3.553
  924   2HE   MET 118          2HE       MET 118  -5.826  -7.449   1.865
  925   3HE   MET 118          3HE       MET 118  -7.386  -6.752   2.306
  926    H    LYS 119           H        LYS 119  -7.963  -4.050   5.777
  927    HA   LYS 119           HA       LYS 119 -10.342  -3.476   4.331
  928   1HB   LYS 119          2HB       LYS 119 -11.233  -5.392   5.752
  929   2HB   LYS 119          1HB       LYS 119  -9.856  -5.731   4.708
  930   1HG   LYS 119          2HG       LYS 119  -8.350  -5.463   6.622
  931   2HG   LYS 119          1HG       LYS 119  -9.745  -5.186   7.666
  932   1HD   LYS 119          2HD       LYS 119  -9.026  -7.490   7.866
  933   2HD   LYS 119          1HD       LYS 119 -10.599  -7.428   7.073
  934   1HE   LYS 119          2HE       LYS 119  -9.514  -7.683   4.896
  935   2HE   LYS 119          1HE       LYS 119  -7.938  -7.730   5.683
  936   1HZ   LYS 119          1HZ       LYS 119  -8.512  -9.949   5.305
  937   2HZ   LYS 119          2HZ       LYS 119 -10.109  -9.732   5.820
  938   3HZ   LYS 119          3HZ       LYS 119  -8.846  -9.709   6.947
  939    H    ASN 120           H        ASN 120  -9.146  -2.013   6.995
  940    HA   ASN 120           HA       ASN 120 -11.839  -1.328   7.973
  941   1HB   ASN 120          2HB       ASN 120 -10.583  -0.711  10.141
  942   2HB   ASN 120          1HB       ASN 120 -10.844  -2.419   9.805
  943   1HD2  ASN 120          1HD2      ASN 120  -8.618  -0.193  10.765
  944   2HD2  ASN 120          2HD2      ASN 120  -7.173  -1.066  10.401
  945    H    ARG 121           H        ARG 121 -10.107  -0.259   5.835
  946    HA   ARG 121           HA       ARG 121 -10.288   2.556   6.559
  947   1HB   ARG 121          2HB       ARG 121  -7.756   1.322   5.445
  948   2HB   ARG 121          1HB       ARG 121  -8.028   3.037   5.721
  949   1HG   ARG 121          2HG       ARG 121  -8.247   1.098   7.981
  950   2HG   ARG 121          1HG       ARG 121  -6.669   1.662   7.436
  951   1HD   ARG 121          2HD       ARG 121  -7.496   3.024   9.284
  952   2HD   ARG 121          1HD       ARG 121  -7.372   3.979   7.808
  953    HE   ARG 121           HE       ARG 121  -9.976   2.982   7.992
  954   1HH1  ARG 121          1HH1      ARG 121  -7.881   5.225   9.643
  955   2HH1  ARG 121          2HH1      ARG 121  -9.180   6.231  10.190
  956   1HH2  ARG 121          1HH2      ARG 121 -11.689   4.297   8.709
  957   2HH2  ARG 121          2HH2      ARG 121 -11.346   5.703   9.659
  958    H    GLY 122           H        GLY 122  -9.739   3.907   4.491
  959   1HA   GLY 122          2HA       GLY 122 -10.816   2.448   2.153
  960   2HA   GLY 122          1HA       GLY 122 -11.280   4.088   2.536
  961    H    PHE 123           H        PHE 123  -8.051   3.739   3.253
  962    HA   PHE 123           HA       PHE 123  -7.347   4.965   0.698
  963   1HB   PHE 123          2HB       PHE 123  -5.182   5.560   1.884
  964   2HB   PHE 123          1HB       PHE 123  -6.635   6.351   2.474
  965    HD1  PHE 123           1HD      PHE 123  -4.611   3.285   3.164
  966    HD2  PHE 123           2HD      PHE 123  -6.920   6.496   4.727
  967    HE1  PHE 123           1HE      PHE 123  -4.085   2.547   5.452
  968    HE2  PHE 123           2HE      PHE 123  -6.400   5.764   7.016
  969    HZ   PHE 123           HZ       PHE 123  -4.979   3.787   7.381
  970    H    MET 124           H        MET 124  -7.071   2.098   2.476
  971    HA   MET 124           HA       MET 124  -4.812   1.084   0.937
  972   1HB   MET 124          2HB       MET 124  -6.513  -0.173   3.105
  973   2HB   MET 124          1HB       MET 124  -5.205  -1.004   2.280
  974   1HG   MET 124          2HG       MET 124  -4.904   1.498   3.918
  975   2HG   MET 124          1HG       MET 124  -4.558  -0.136   4.477
  976   1HE   MET 124          1HE       MET 124  -1.465   2.143   4.119
  977   2HE   MET 124          2HE       MET 124  -1.338   0.500   4.745
  978   3HE   MET 124          3HE       MET 124  -2.726   1.501   5.170
  979    H    LEU 125           H        LEU 125  -8.240   0.441   1.451
  980    HA   LEU 125           HA       LEU 125  -8.362  -1.620  -0.543
  981   1HB   LEU 125          2HB       LEU 125 -10.429  -0.252   1.140
  982   2HB   LEU 125          1HB       LEU 125 -10.829  -1.497  -0.012
  983    HG   LEU 125           HG       LEU 125  -9.728  -1.710   2.679
  984   1HD1  LEU 125          1HD1      LEU 125 -11.180  -3.396   2.820
  985   2HD1  LEU 125          2HD1      LEU 125 -10.683  -4.091   1.276
  986   3HD1  LEU 125          3HD1      LEU 125 -11.821  -2.743   1.312
  987   1HD2  LEU 125          1HD2      LEU 125  -8.546  -3.476   0.538
  988   2HD2  LEU 125          2HD2      LEU 125  -8.316  -3.644   2.277
  989   3HD2  LEU 125          3HD2      LEU 125  -7.673  -2.234   1.435
  990    H    TRP 126           H        TRP 126  -9.943   1.599  -0.293
  991    HA   TRP 126           HA       TRP 126 -11.327   1.579  -2.638
  992   1HB   TRP 126          2HB       TRP 126 -11.512   3.418  -1.100
  993   2HB   TRP 126          1HB       TRP 126  -9.854   3.910  -1.420
  994    HD1  TRP 126           HD       TRP 126 -10.112   6.178  -2.529
  995    HE1  TRP 126           1HE      TRP 126 -11.359   7.092  -4.590
  996    HE3  TRP 126           3HE      TRP 126 -12.872   2.042  -3.702
  997    HZ2  TRP 126           2HZ      TRP 126 -13.268   6.179  -6.458
  998    HZ3  TRP 126           3HZ      TRP 126 -14.390   2.145  -5.636
  999    HH2  TRP 126           HH       TRP 126 -14.582   4.172  -6.984
 1000    HA   PRO 127           HA       PRO 127  -7.495   3.213  -5.193
 1001   1HB   PRO 127          2HB       PRO 127  -5.249   2.290  -3.495
 1002   2HB   PRO 127          1HB       PRO 127  -5.434   3.799  -4.392
 1003   1HG   PRO 127          2HG       PRO 127  -5.631   3.772  -1.748
 1004   2HG   PRO 127          1HG       PRO 127  -6.706   4.787  -2.730
 1005   1HD   PRO 127          2HD       PRO 127  -7.269   2.136  -1.430
 1006   2HD   PRO 127          1HD       PRO 127  -8.291   3.593  -1.499
 1007    H    LEU 128           H        LEU 128  -6.857   0.376  -3.146
 1008    HA   LEU 128           HA       LEU 128  -5.568  -1.230  -5.046
 1009   1HB   LEU 128          2HB       LEU 128  -6.357  -1.482  -2.406
 1010   2HB   LEU 128          1HB       LEU 128  -7.332  -2.672  -3.235
 1011    HG   LEU 128           HG       LEU 128  -5.317  -3.704  -4.144
 1012   1HD1  LEU 128          1HD1      LEU 128  -3.145  -3.036  -3.017
 1013   2HD1  LEU 128          2HD1      LEU 128  -3.970  -1.569  -2.495
 1014   3HD1  LEU 128          3HD1      LEU 128  -3.770  -1.902  -4.214
 1015   1HD2  LEU 128          1HD2      LEU 128  -4.525  -4.641  -1.989
 1016   2HD2  LEU 128          2HD2      LEU 128  -6.284  -4.580  -2.109
 1017   3HD2  LEU 128          3HD2      LEU 128  -5.423  -3.382  -1.142
 1018    H    PHE 129           H        PHE 129  -8.904  -0.535  -4.441
 1019    HA   PHE 129           HA       PHE 129 -10.162  -2.621  -5.842
 1020   1HB   PHE 129          2HB       PHE 129 -11.397  -1.162  -4.345
 1021   2HB   PHE 129          1HB       PHE 129 -11.029   0.242  -5.337
 1022    HD1  PHE 129           1HD      PHE 129 -12.533   0.940  -6.938
 1023    HD2  PHE 129           2HD      PHE 129 -12.762  -3.050  -5.479
 1024    HE1  PHE 129           1HE      PHE 129 -14.627   0.609  -8.184
 1025    HE2  PHE 129           2HE      PHE 129 -14.855  -3.390  -6.726
 1026    HZ   PHE 129           HZ       PHE 129 -15.791  -1.559  -8.082
 1027    H    GLU 130           H        GLU 130  -8.246  -0.063  -6.969
 1028    HA   GLU 130           HA       GLU 130  -9.449  -0.115  -9.638
 1029   1HB   GLU 130          2HB       GLU 130  -7.411   1.788  -8.478
 1030   2HB   GLU 130          1HB       GLU 130  -8.128   1.904 -10.078
 1031   1HG   GLU 130          2HG       GLU 130 -10.329   2.227  -9.071
 1032   2HG   GLU 130          1HG       GLU 130  -9.610   2.109  -7.465
 1033    H    ILE 131           H        ILE 131  -6.436  -0.762  -7.910
 1034    HA   ILE 131           HA       ILE 131  -4.885  -1.163 -10.269
 1035    HB   ILE 131           HB       ILE 131  -3.136  -1.832  -8.881
 1036   1HG1  ILE 131          2HG1      ILE 131  -5.126  -2.547  -6.701
 1037   2HG1  ILE 131          1HG1      ILE 131  -4.355  -3.713  -7.768
 1038   1HG2  ILE 131          1HG2      ILE 131  -3.672   0.436  -8.427
 1039   2HG2  ILE 131          2HG2      ILE 131  -3.283  -0.324  -6.881
 1040   3HG2  ILE 131          3HG2      ILE 131  -4.966  -0.026  -7.320
 1041   1HD1  ILE 131          1HD1      ILE 131  -2.911  -1.903  -5.856
 1042   2HD1  ILE 131          2HD1      ILE 131  -2.194  -3.158  -6.865
 1043   3HD1  ILE 131          3HD1      ILE 131  -3.303  -3.596  -5.566
 1044    H    ALA 132           H        ALA 132  -6.910  -3.140  -8.287
 1045    HA   ALA 132           HA       ALA 132  -7.544  -5.035 -10.144
 1046   1HB   ALA 132          1HB       ALA 132  -5.358  -6.195  -8.429
 1047   2HB   ALA 132          2HB       ALA 132  -5.070  -5.572 -10.054
 1048   3HB   ALA 132          3HB       ALA 132  -6.164  -6.933  -9.812
 1049    HA   PRO 133           HA       PRO 133  -9.714  -5.630  -6.177
 1050   1HB   PRO 133          2HB       PRO 133 -12.110  -4.824  -6.862
 1051   2HB   PRO 133          1HB       PRO 133 -10.791  -3.639  -6.746
 1052   1HG   PRO 133          2HG       PRO 133 -11.946  -4.945  -9.194
 1053   2HG   PRO 133          1HG       PRO 133 -11.540  -3.239  -8.932
 1054   1HD   PRO 133          2HD       PRO 133  -9.893  -5.113 -10.178
 1055   2HD   PRO 133          1HD       PRO 133  -9.349  -3.572  -9.485
 1056    H    GLU 134           H        GLU 134  -9.340  -7.415  -8.748
 1057    HA   GLU 134           HA       GLU 134 -11.731  -9.091  -8.490
 1058   1HB   GLU 134          2HB       GLU 134 -10.797 -10.352 -10.394
 1059   2HB   GLU 134          1HB       GLU 134 -10.953  -8.643 -10.773
 1060   1HG   GLU 134          2HG       GLU 134  -8.573  -8.325 -10.378
 1061   2HG   GLU 134          1HG       GLU 134  -8.408 -10.029  -9.958
 1062    H    LEU 135           H        LEU 135  -9.513  -8.584  -6.585
 1063    HA   LEU 135           HA       LEU 135  -8.140 -11.101  -6.301
 1064   1HB   LEU 135          2HB       LEU 135  -7.353  -8.669  -5.807
 1065   2HB   LEU 135          1HB       LEU 135  -8.211  -8.880  -4.302
 1066    HG   LEU 135           HG       LEU 135  -5.743  -9.292  -4.248
 1067   1HD1  LEU 135          1HD1      LEU 135  -7.804 -11.209  -3.268
 1068   2HD1  LEU 135          2HD1      LEU 135  -6.814 -10.062  -2.365
 1069   3HD1  LEU 135          3HD1      LEU 135  -6.097 -11.552  -2.982
 1070   1HD2  LEU 135          1HD2      LEU 135  -5.759 -10.577  -6.428
 1071   2HD2  LEU 135          2HD2      LEU 135  -6.398 -11.936  -5.503
 1072   3HD2  LEU 135          3HD2      LEU 135  -4.813 -11.271  -5.110
 1073    H    VAL 136           H        VAL 136  -8.489 -12.603  -4.735
 1074    HA   VAL 136           HA       VAL 136 -10.615 -12.138  -2.783
 1075    HB   VAL 136           HB       VAL 136 -11.749 -13.260  -4.617
 1076   1HG1  VAL 136          1HG1      VAL 136 -10.980 -15.059  -5.768
 1077   2HG1  VAL 136          2HG1      VAL 136 -10.159 -15.745  -4.367
 1078   3HG1  VAL 136          3HG1      VAL 136  -9.425 -14.410  -5.252
 1079   1HG2  VAL 136          1HG2      VAL 136 -11.651 -14.173  -1.978
 1080   2HG2  VAL 136          2HG2      VAL 136 -11.659 -15.623  -2.981
 1081   3HG2  VAL 136          3HG2      VAL 136 -12.943 -14.425  -3.153
 1082    H    PHE 137           H        PHE 137 -10.399 -13.456  -0.883
 1083    HA   PHE 137           HA       PHE 137  -7.683 -14.313  -0.400
 1084   1HB   PHE 137          2HB       PHE 137 -10.155 -14.193   1.334
 1085   2HB   PHE 137          1HB       PHE 137  -8.629 -14.851   1.907
 1086    HD1  PHE 137           1HD      PHE 137  -9.127 -11.874  -0.265
 1087    HD2  PHE 137           2HD      PHE 137  -8.047 -13.347   3.581
 1088    HE1  PHE 137           1HE      PHE 137  -8.405  -9.617   0.394
 1089    HE2  PHE 137           2HE      PHE 137  -7.324 -11.094   4.245
 1090    HZ   PHE 137           HZ       PHE 137  -7.502  -9.224   2.650
 1091    HA   PRO 138           HA       PRO 138  -7.910 -18.685  -1.015
 1092   1HB   PRO 138          2HB       PRO 138  -7.473 -19.578   1.634
 1093   2HB   PRO 138          1HB       PRO 138  -6.254 -19.378   0.375
 1094   1HG   PRO 138          2HG       PRO 138  -6.966 -17.583   2.625
 1095   2HG   PRO 138          1HG       PRO 138  -5.409 -17.804   1.807
 1096   1HD   PRO 138          2HD       PRO 138  -6.929 -15.617   1.416
 1097   2HD   PRO 138          1HD       PRO 138  -5.949 -16.323   0.113
 1098    H    ASP 139           H        ASP 139  -9.676 -17.098   1.463
 1099    HA   ASP 139           HA       ASP 139 -11.560 -19.233   1.945
 1100   1HB   ASP 139          2HB       ASP 139 -11.296 -16.382   2.880
 1101   2HB   ASP 139          1HB       ASP 139 -12.718 -17.342   3.252
 1102    H    GLY 140           H        GLY 140 -12.167 -15.838   1.108
 1103   1HA   GLY 140          2HA       GLY 140 -13.312 -16.086  -1.375
 1104   2HA   GLY 140          1HA       GLY 140 -14.605 -16.469  -0.248
 1105    H    GLU 141           H        GLU 141 -12.032 -14.193   0.410
 1106    HA   GLU 141           HA       GLU 141 -14.025 -12.041   0.565
 1107   1HB   GLU 141          2HB       GLU 141 -12.846 -12.517   2.642
 1108   2HB   GLU 141          1HB       GLU 141 -11.299 -12.331   1.825
 1109   1HG   GLU 141          2HG       GLU 141 -11.768  -9.983   1.435
 1110   2HG   GLU 141          1HG       GLU 141 -13.337 -10.155   2.221
 1111    H    MET 142           H        MET 142 -13.970 -10.456  -0.906
 1112    HA   MET 142           HA       MET 142 -11.481 -10.076  -2.444
 1113   1HB   MET 142          2HB       MET 142 -14.315  -9.578  -3.363
 1114   2HB   MET 142          1HB       MET 142 -12.862  -9.404  -4.338
 1115   1HG   MET 142          2HG       MET 142 -12.442 -11.817  -4.082
 1116   2HG   MET 142          1HG       MET 142 -13.953 -11.959  -3.186
 1117   1HE   MET 142          1HE       MET 142 -13.587 -13.810  -4.998
 1118   2HE   MET 142          2HE       MET 142 -13.961 -13.628  -6.712
 1119   3HE   MET 142          3HE       MET 142 -15.267 -13.800  -5.539
 1120    H    LEU 143           H        LEU 143 -11.049  -7.833  -3.198
 1121    HA   LEU 143           HA       LEU 143 -11.280  -5.947  -1.167
 1122   1HB   LEU 143          2HB       LEU 143  -9.866  -6.007  -3.396
 1123   2HB   LEU 143          1HB       LEU 143 -11.211  -5.085  -4.031
 1124    HG   LEU 143           HG       LEU 143  -9.636  -3.487  -3.409
 1125   1HD1  LEU 143          1HD1      LEU 143 -10.583  -2.249  -1.561
 1126   2HD1  LEU 143          2HD1      LEU 143 -11.496  -3.675  -1.067
 1127   3HD1  LEU 143          3HD1      LEU 143 -11.842  -2.899  -2.611
 1128   1HD2  LEU 143          1HD2      LEU 143  -8.461  -3.456  -1.266
 1129   2HD2  LEU 143          2HD2      LEU 143  -8.142  -4.939  -2.166
 1130   3HD2  LEU 143          3HD2      LEU 143  -9.270  -4.954  -0.811
 1131    H    ARG 144           H        ARG 144 -13.411  -6.867  -3.747
 1132    HA   ARG 144           HA       ARG 144 -15.162  -4.608  -3.515
 1133   1HB   ARG 144          2HB       ARG 144 -14.950  -6.119  -5.545
 1134   2HB   ARG 144          1HB       ARG 144 -15.857  -7.325  -4.644
 1135   1HG   ARG 144          2HG       ARG 144 -16.879  -4.556  -5.227
 1136   2HG   ARG 144          1HG       ARG 144 -17.209  -5.961  -6.239
 1137   1HD   ARG 144          2HD       ARG 144 -17.875  -5.824  -3.306
 1138   2HD   ARG 144          1HD       ARG 144 -19.002  -5.370  -4.575
 1139    HE   ARG 144           HE       ARG 144 -18.037  -7.948  -5.109
 1140   1HH1  ARG 144          1HH1      ARG 144 -20.049  -6.280  -2.804
 1141   2HH1  ARG 144          2HH1      ARG 144 -21.009  -7.676  -2.438
 1142   1HH2  ARG 144          1HH2      ARG 144 -19.295  -9.790  -4.632
 1143   2HH2  ARG 144          2HH2      ARG 144 -20.580  -9.670  -3.476
 1144    H    GLN 145           H        GLN 145 -15.307  -7.990  -2.447
 1145    HA   GLN 145           HA       GLN 145 -17.718  -7.925  -1.100
 1146   1HB   GLN 145          2HB       GLN 145 -16.565 -10.005  -1.467
 1147   2HB   GLN 145          1HB       GLN 145 -15.195  -9.477  -0.503
 1148   1HG   GLN 145          2HG       GLN 145 -17.913  -9.713   0.718
 1149   2HG   GLN 145          1HG       GLN 145 -16.896 -11.136   0.502
 1150   1HE2  GLN 145          1HE2      GLN 145 -14.731  -8.786   0.893
 1151   2HE2  GLN 145          2HE2      GLN 145 -14.535  -8.805   2.607
 1152    H    ILE 146           H        ILE 146 -14.618  -6.623  -0.174
 1153    HA   ILE 146           HA       ILE 146 -15.425  -6.151   2.561
 1154    HB   ILE 146           HB       ILE 146 -13.025  -4.951   1.188
 1155   1HG1  ILE 146          2HG1      ILE 146 -13.176  -7.581   2.682
 1156   2HG1  ILE 146          1HG1      ILE 146 -13.052  -7.433   0.932
 1157   1HG2  ILE 146          1HG2      ILE 146 -12.347  -5.425   3.769
 1158   2HG2  ILE 146          2HG2      ILE 146 -14.071  -5.092   3.932
 1159   3HG2  ILE 146          3HG2      ILE 146 -13.010  -3.901   3.182
 1160   1HD1  ILE 146          1HD1      ILE 146 -10.881  -6.408   1.138
 1161   2HD1  ILE 146          2HD1      ILE 146 -10.907  -7.942   2.008
 1162   3HD1  ILE 146          3HD1      ILE 146 -11.012  -6.421   2.897
 1163    H    LEU 147           H        LEU 147 -14.829  -4.176  -0.367
 1164    HA   LEU 147           HA       LEU 147 -15.446  -1.698   0.811
 1165   1HB   LEU 147          2HB       LEU 147 -15.503  -2.729  -2.003
 1166   2HB   LEU 147          1HB       LEU 147 -16.113  -1.125  -1.644
 1167    HG   LEU 147           HG       LEU 147 -13.311  -2.051  -1.004
 1168   1HD1  LEU 147          1HD1      LEU 147 -14.441  -0.564  -3.360
 1169   2HD1  LEU 147          2HD1      LEU 147 -13.445  -2.020  -3.357
 1170   3HD1  LEU 147          3HD1      LEU 147 -12.740  -0.469  -2.902
 1171   1HD2  LEU 147          1HD2      LEU 147 -13.015   0.496  -0.917
 1172   2HD2  LEU 147          2HD2      LEU 147 -13.824  -0.285   0.442
 1173   3HD2  LEU 147          3HD2      LEU 147 -14.771   0.561  -0.779
 1174    H    HIS 148           H        HIS 148 -17.444  -4.323  -0.172
 1175    HA   HIS 148           HA       HIS 148 -19.863  -2.731  -0.336
 1176   1HB   HIS 148          2HB       HIS 148 -19.483  -4.686  -1.821
 1177   2HB   HIS 148          1HB       HIS 148 -19.527  -5.736  -0.411
 1178    HD1  HIS 148           1HD      HIS 148 -21.942  -5.328   1.026
 1179    HD2  HIS 148           2HD      HIS 148 -21.865  -4.607  -3.066
 1180    HE1  HIS 148           1HE      HIS 148 -24.343  -5.422   0.281
 1181    HE2  HIS 148           2HE      HIS 148 -24.266  -5.044  -2.209
 1182    H    THR 149           H        THR 149 -18.154  -4.586   2.032
 1183    HA   THR 149           HA       THR 149 -20.476  -4.838   3.758
 1184    HB   THR 149           HB       THR 149 -17.595  -5.646   4.183
 1185    HG1  THR 149           1HG      THR 149 -19.894  -7.165   3.512
 1186   1HG2  THR 149          1HG2      THR 149 -19.875  -5.659   5.994
 1187   2HG2  THR 149          2HG2      THR 149 -18.154  -5.854   6.325
 1188   3HG2  THR 149          3HG2      THR 149 -19.112  -7.238   5.799
 1189    H    ARG 150           H        ARG 150 -17.594  -2.857   3.487
 1190    HA   ARG 150           HA       ARG 150 -18.390  -1.477   5.962
 1191   1HB   ARG 150          2HB       ARG 150 -16.136  -0.816   6.282
 1192   2HB   ARG 150          1HB       ARG 150 -16.087  -2.522   5.863
 1193   1HG   ARG 150          2HG       ARG 150 -15.423  -1.998   3.616
 1194   2HG   ARG 150          1HG       ARG 150 -15.605  -0.273   3.925
 1195   1HD   ARG 150          2HD       ARG 150 -13.886  -0.736   5.836
 1196   2HD   ARG 150          1HD       ARG 150 -13.505  -2.167   4.877
 1197    HE   ARG 150           HE       ARG 150 -12.623   0.422   4.353
 1198   1HH1  ARG 150          1HH1      ARG 150 -14.037  -2.272   2.644
 1199   2HH1  ARG 150          2HH1      ARG 150 -13.400  -1.790   1.109
 1200   1HH2  ARG 150          1HH2      ARG 150 -11.815   1.072   2.338
 1201   2HH2  ARG 150          2HH2      ARG 150 -12.134   0.109   0.936
 1202    H    ALA 151           H        ALA 151 -17.492  -1.028   2.585
 1203    HA   ALA 151           HA       ALA 151 -17.755   0.712   1.141
 1204   1HB   ALA 151          1HB       ALA 151 -20.100   0.538   2.380
 1205   2HB   ALA 151          2HB       ALA 151 -19.747   1.808   1.208
 1206   3HB   ALA 151          3HB       ALA 151 -19.633   2.145   2.936
 1207    H    PHE 152           H        PHE 152 -15.574   1.370   1.599
 1208    HA   PHE 152           HA       PHE 152 -15.441   3.880   3.131
 1209   1HB   PHE 152          2HB       PHE 152 -13.575   1.557   3.053
 1210   2HB   PHE 152          1HB       PHE 152 -12.902   3.165   3.277
 1211    HD1  PHE 152           1HD      PHE 152 -12.154   3.135   5.445
 1212    HD2  PHE 152           2HD      PHE 152 -16.102   1.799   4.601
 1213    HE1  PHE 152           1HE      PHE 152 -12.628   3.021   7.859
 1214    HE2  PHE 152           2HE      PHE 152 -16.586   1.680   7.011
 1215    HZ   PHE 152           HZ       PHE 152 -14.846   2.292   8.645
 1216    H    ASP 153           H        ASP 153 -16.071   3.815   0.379
 1217    HA   ASP 153           HA       ASP 153 -14.097   4.053  -1.474
 1218   1HB   ASP 153          2HB       ASP 153 -16.436   5.951  -1.141
 1219   2HB   ASP 153          1HB       ASP 153 -15.487   5.749  -2.611
 1220    H    LYS 154           H        LYS 154 -15.283   6.789   0.467
 1221    HA   LYS 154           HA       LYS 154 -14.330   8.872   0.795
 1222   1HB   LYS 154          2HB       LYS 154 -12.541   6.795   2.006
 1223   2HB   LYS 154          1HB       LYS 154 -12.349   8.509   2.348
 1224   1HG   LYS 154          2HG       LYS 154 -14.679   8.546   3.194
 1225   2HG   LYS 154          1HG       LYS 154 -14.758   6.800   2.941
 1226   1HD   LYS 154          2HD       LYS 154 -12.810   8.231   4.751
 1227   2HD   LYS 154          1HD       LYS 154 -14.251   7.361   5.275
 1228   1HE   LYS 154          2HE       LYS 154 -13.339   5.284   4.391
 1229   2HE   LYS 154          1HE       LYS 154 -11.918   6.143   3.801
 1230   1HZ   LYS 154          1HZ       LYS 154 -11.371   5.092   5.851
 1231   2HZ   LYS 154          2HZ       LYS 154 -12.719   5.754   6.631
 1232   3HZ   LYS 154          3HZ       LYS 154 -11.449   6.758   6.139
 1233    H    LEU 155           H        LEU 155 -11.365   9.005   1.316
 1234    HA   LEU 155           HA       LEU 155  -9.530   9.810   0.274
 1235   1HB   LEU 155          2HB       LEU 155 -10.389   7.578  -1.512
 1236   2HB   LEU 155          1HB       LEU 155  -9.041   8.595  -1.985
 1237    HG   LEU 155           HG       LEU 155  -9.201   6.989   0.566
 1238   1HD1  LEU 155          1HD1      LEU 155  -8.763   5.327  -0.899
 1239   2HD1  LEU 155          2HD1      LEU 155  -7.129   5.981  -0.821
 1240   3HD1  LEU 155          3HD1      LEU 155  -8.197   6.431  -2.151
 1241   1HD2  LEU 155          1HD2      LEU 155  -6.964   7.656   0.977
 1242   2HD2  LEU 155          2HD2      LEU 155  -7.870   9.129   0.631
 1243   3HD2  LEU 155          3HD2      LEU 155  -6.829   8.423  -0.605
 1244    H    ASN 156           H        ASN 156 -10.032  11.902  -0.142
 1245    HA   ASN 156           HA       ASN 156 -11.398  12.579  -2.636
 1246   1HB   ASN 156          2HB       ASN 156 -12.175  13.854  -0.789
 1247   2HB   ASN 156          1HB       ASN 156 -10.539  14.215  -0.256
 1248   1HD2  ASN 156          1HD2      ASN 156  -9.892  16.184  -0.672
 1249   2HD2  ASN 156          2HD2      ASN 156 -10.413  17.177  -1.986
 1250    H    LYS 157           H        LYS 157 -10.252  12.837  -4.379
 1251    HA   LYS 157           HA       LYS 157  -7.584  12.639  -4.738
 1252   1HB   LYS 157          2HB       LYS 157  -9.593  14.229  -6.311
 1253   2HB   LYS 157          1HB       LYS 157  -7.917  14.088  -6.825
 1254   1HG   LYS 157          2HG       LYS 157  -8.113  11.712  -7.032
 1255   2HG   LYS 157          1HG       LYS 157  -9.727  11.737  -6.324
 1256   1HD   LYS 157          2HD       LYS 157 -10.520  13.075  -8.232
 1257   2HD   LYS 157          1HD       LYS 157  -8.907  12.995  -8.941
 1258   1HE   LYS 157          2HE       LYS 157  -9.077  10.569  -9.083
 1259   2HE   LYS 157          1HE       LYS 157 -10.669  10.624  -8.329
 1260   1HZ   LYS 157          1HZ       LYS 157  -9.871  11.492 -11.029
 1261   2HZ   LYS 157          2HZ       LYS 157 -11.238  12.163 -10.295
 1262   3HZ   LYS 157          3HZ       LYS 157 -11.158  10.495 -10.564
 1263    H    TRP 158           H        TRP 158  -5.803  13.789  -4.519
 1264    HA   TRP 158           HA       TRP 158  -5.365  15.767  -2.780
 1265   1HB   TRP 158          2HB       TRP 158  -3.595  14.573  -4.013
 1266   2HB   TRP 158          1HB       TRP 158  -3.965  15.517  -5.451
 1267    HD1  TRP 158           HD       TRP 158  -2.872  17.880  -5.653
 1268    HE1  TRP 158           1HE      TRP 158  -1.214  19.210  -4.201
 1269    HE3  TRP 158           3HE      TRP 158  -2.940  14.952  -1.462
 1270    HZ2  TRP 158           2HZ      TRP 158  -0.081  19.037  -1.624
 1271    HZ3  TRP 158           3HZ      TRP 158  -1.536  15.604   0.450
 1272    HH2  TRP 158           HH       TRP 158  -0.134  17.603   0.369
  Start of MODEL    3
    1   1H    THR   1          1HT       THR   1   0.626 -13.445 -10.162
    2   2H    THR   1          2HT       THR   1   1.371 -14.462  -9.034
    3   3H    THR   1          3HT       THR   1   2.102 -12.998  -9.465
    4    HA   THR   1           HA       THR   1  -0.587 -13.013  -8.279
    5    HB   THR   1           HB       THR   1   2.039 -13.101  -6.774
    6    HG1  THR   1           1HG      THR   1   0.425 -14.962  -5.939
    7   1HG2  THR   1          1HG2      THR   1  -0.480 -12.045  -5.981
    8   2HG2  THR   1          2HG2      THR   1   1.011 -12.186  -5.052
    9   3HG2  THR   1          3HG2      THR   1  -0.153 -13.511  -5.059
   10    H    VAL   2           H        VAL   2  -1.116 -10.975  -7.387
   11    HA   VAL   2           HA       VAL   2   0.505  -8.776  -8.469
   12    HB   VAL   2           HB       VAL   2  -2.403  -8.879  -7.665
   13   1HG1  VAL   2          1HG1      VAL   2  -2.414  -6.534  -8.666
   14   2HG1  VAL   2          2HG1      VAL   2  -0.664  -6.561  -8.447
   15   3HG1  VAL   2          3HG1      VAL   2  -1.731  -6.719  -7.051
   16   1HG2  VAL   2          1HG2      VAL   2  -2.328  -8.000 -10.218
   17   2HG2  VAL   2          2HG2      VAL   2  -2.523  -9.691  -9.758
   18   3HG2  VAL   2          3HG2      VAL   2  -0.931  -9.076 -10.201
   19    H    ALA   3           H        ALA   3   1.120  -7.038  -7.218
   20    HA   ALA   3           HA       ALA   3   0.962  -7.460  -4.316
   21   1HB   ALA   3          1HB       ALA   3   3.074  -6.741  -4.159
   22   2HB   ALA   3          2HB       ALA   3   2.777  -5.370  -5.229
   23   3HB   ALA   3          3HB       ALA   3   3.145  -6.955  -5.908
   24    H    TYR   4           H        TYR   4  -0.898  -6.515  -3.709
   25    HA   TYR   4           HA       TYR   4  -1.708  -3.905  -4.691
   26   1HB   TYR   4          2HB       TYR   4  -2.958  -5.594  -2.531
   27   2HB   TYR   4          1HB       TYR   4  -3.707  -4.283  -3.433
   28    HD1  TYR   4           1HD      TYR   4  -2.395  -7.732  -3.724
   29    HD2  TYR   4           2HD      TYR   4  -4.719  -4.671  -5.544
   30    HE1  TYR   4           1HE      TYR   4  -3.177  -9.339  -5.407
   31    HE2  TYR   4           2HE      TYR   4  -5.506  -6.273  -7.231
   32    HH   TYR   4           HH       TYR   4  -4.769  -9.691  -7.016
   33    H    ILE   5           H        ILE   5   0.093  -2.681  -3.907
   34    HA   ILE   5           HA       ILE   5   0.478  -2.510  -1.022
   35    HB   ILE   5           HB       ILE   5   1.973  -0.943  -3.110
   36   1HG1  ILE   5          2HG1      ILE   5   2.597  -3.732  -2.112
   37   2HG1  ILE   5          1HG1      ILE   5   2.016  -3.330  -3.726
   38   1HG2  ILE   5          1HG2      ILE   5   2.644  -0.102  -1.094
   39   2HG2  ILE   5          2HG2      ILE   5   3.780  -1.441  -1.249
   40   3HG2  ILE   5          3HG2      ILE   5   2.346  -1.614  -0.236
   41   1HD1  ILE   5          1HD1      ILE   5   4.443  -1.909  -2.892
   42   2HD1  ILE   5          2HD1      ILE   5   4.044  -2.684  -4.425
   43   3HD1  ILE   5          3HD1      ILE   5   4.613  -3.655  -3.067
   44    H    ALA   6           H        ALA   6   0.690  -0.415   0.018
   45    HA   ALA   6           HA       ALA   6  -1.083   1.649  -1.124
   46   1HB   ALA   6          1HB       ALA   6  -1.504   2.159   1.406
   47   2HB   ALA   6          2HB       ALA   6  -1.003   0.483   1.627
   48   3HB   ALA   6          3HB       ALA   6  -2.392   0.861   0.609
   49    H    ILE   7           H        ILE   7  -0.166   3.621  -1.303
   50    HA   ILE   7           HA       ILE   7   2.357   4.086   0.152
   51    HB   ILE   7           HB       ILE   7   1.575   5.303  -2.498
   52   1HG1  ILE   7          2HG1      ILE   7   3.470   3.002  -1.955
   53   2HG1  ILE   7          1HG1      ILE   7   1.854   2.829  -2.626
   54   1HG2  ILE   7          1HG2      ILE   7   4.237   5.478  -2.415
   55   2HG2  ILE   7          2HG2      ILE   7   3.905   5.532  -0.682
   56   3HG2  ILE   7          3HG2      ILE   7   3.180   6.726  -1.757
   57   1HD1  ILE   7          1HD1      ILE   7   4.233   3.194  -4.016
   58   2HD1  ILE   7          2HD1      ILE   7   3.382   4.733  -4.144
   59   3HD1  ILE   7          3HD1      ILE   7   2.595   3.244  -4.669
   60    H    GLY   8           H        GLY   8   2.865   6.260   0.757
   61   1HA   GLY   8          2HA       GLY   8   0.683   8.201   0.747
   62   2HA   GLY   8          1HA       GLY   8   1.245   7.643   2.317
   63    H    SER   9           H        SER   9   1.365  10.327   1.600
   64    HA   SER   9           HA       SER   9   4.025  10.989   2.192
   65   1HB   SER   9          2HB       SER   9   4.558  12.154  -0.011
   66   2HB   SER   9          1HB       SER   9   4.668  10.396  -0.020
   67    HG   SER   9           HG       SER   9   3.247  10.432  -1.552
   68    H    ASN  10           H        ASN  10   4.014  12.981   3.099
   69    HA   ASN  10           HA       ASN  10   2.115  14.958   2.117
   70   1HB   ASN  10          2HB       ASN  10   1.541  15.382   4.642
   71   2HB   ASN  10          1HB       ASN  10   0.684  14.165   3.710
   72   1HD2  ASN  10          1HD2      ASN  10   0.122  13.044   5.575
   73   2HD2  ASN  10          2HD2      ASN  10   1.268  12.079   6.437
   74    H    LEU  11           H        LEU  11   4.201  14.595   4.988
   75    HA   LEU  11           HA       LEU  11   4.920  17.337   4.941
   76   1HB   LEU  11          2HB       LEU  11   6.160  16.922   6.899
   77   2HB   LEU  11          1HB       LEU  11   4.742  15.897   6.981
   78    HG   LEU  11           HG       LEU  11   6.430  14.553   7.806
   79   1HD1  LEU  11          1HD1      LEU  11   5.973  13.970   4.915
   80   2HD1  LEU  11          2HD1      LEU  11   5.306  13.174   6.341
   81   3HD1  LEU  11          3HD1      LEU  11   6.998  12.929   5.905
   82   1HD2  LEU  11          1HD2      LEU  11   8.199  16.230   6.735
   83   2HD2  LEU  11          2HD2      LEU  11   8.367  14.890   5.601
   84   3HD2  LEU  11          3HD2      LEU  11   8.634  14.624   7.324
   85    H    ALA  12           H        ALA  12   5.856  15.207   2.746
   86    HA   ALA  12           HA       ALA  12   8.301  16.663   2.221
   87   1HB   ALA  12          1HB       ALA  12   8.511  14.265   3.592
   88   2HB   ALA  12          2HB       ALA  12   9.803  15.114   2.743
   89   3HB   ALA  12          3HB       ALA  12   8.890  13.849   1.922
   90    H    SER  13           H        SER  13   6.702  17.277   0.536
   91    HA   SER  13           HA       SER  13   5.901  17.219  -1.595
   92   1HB   SER  13          2HB       SER  13   8.297  15.410  -1.993
   93   2HB   SER  13          1HB       SER  13   7.395  16.210  -3.280
   94    HG   SER  13           HG       SER  13   9.436  17.199  -2.189
   95    HA   PRO  14           HA       PRO  14   3.539  13.335  -0.875
   96   1HB   PRO  14          2HB       PRO  14   1.458  14.998  -2.167
   97   2HB   PRO  14          1HB       PRO  14   1.382  14.059  -0.674
   98   1HG   PRO  14          2HG       PRO  14   1.510  16.721  -0.607
   99   2HG   PRO  14          1HG       PRO  14   2.375  15.733   0.585
  100   1HD   PRO  14          2HD       PRO  14   3.434  17.132  -1.842
  101   2HD   PRO  14          1HD       PRO  14   4.147  16.996  -0.221
  102    H    LEU  15           H        LEU  15   3.894  15.344  -3.742
  103    HA   LEU  15           HA       LEU  15   2.882  13.285  -5.506
  104   1HB   LEU  15          2HB       LEU  15   2.441  15.630  -5.993
  105   2HB   LEU  15          1HB       LEU  15   4.161  15.951  -6.098
  106    HG   LEU  15           HG       LEU  15   4.294  14.439  -8.061
  107   1HD1  LEU  15          1HD1      LEU  15   2.461  12.968  -7.697
  108   2HD1  LEU  15          2HD1      LEU  15   2.125  13.866  -9.177
  109   3HD1  LEU  15          3HD1      LEU  15   1.312  14.305  -7.674
  110   1HD2  LEU  15          1HD2      LEU  15   3.054  17.019  -7.899
  111   2HD2  LEU  15          2HD2      LEU  15   2.373  16.106  -9.245
  112   3HD2  LEU  15          3HD2      LEU  15   4.114  16.365  -9.148
  113    H    GLU  16           H        GLU  16   6.025  14.540  -4.534
  114    HA   GLU  16           HA       GLU  16   7.474  13.217  -6.599
  115   1HB   GLU  16          2HB       GLU  16   8.260  14.576  -4.046
  116   2HB   GLU  16          1HB       GLU  16   9.450  13.803  -5.090
  117   1HG   GLU  16          2HG       GLU  16   7.554  15.962  -5.970
  118   2HG   GLU  16          1HG       GLU  16   9.214  16.248  -5.444
  119    H    GLN  17           H        GLN  17   6.395  12.269  -3.433
  120    HA   GLN  17           HA       GLN  17   8.257  10.154  -3.056
  121   1HB   GLN  17          2HB       GLN  17   5.515  10.575  -1.864
  122   2HB   GLN  17          1HB       GLN  17   6.678   9.375  -1.315
  123   1HG   GLN  17          2HG       GLN  17   7.127  12.350  -1.298
  124   2HG   GLN  17          1HG       GLN  17   6.636  11.386   0.093
  125   1HE2  GLN  17          1HE2      GLN  17   9.188  12.826  -1.312
  126   2HE2  GLN  17          2HE2      GLN  17  10.467  11.846  -0.693
  127    H    VAL  18           H        VAL  18   5.422  10.471  -4.968
  128    HA   VAL  18           HA       VAL  18   4.949   7.613  -5.136
  129    HB   VAL  18           HB       VAL  18   3.626   9.890  -6.614
  130   1HG1  VAL  18          1HG1      VAL  18   2.681   8.354  -7.908
  131   2HG1  VAL  18          2HG1      VAL  18   1.967   7.613  -6.476
  132   3HG1  VAL  18          3HG1      VAL  18   3.542   7.070  -7.057
  133   1HG2  VAL  18          1HG2      VAL  18   1.833   9.692  -5.053
  134   2HG2  VAL  18          2HG2      VAL  18   3.328   9.848  -4.130
  135   3HG2  VAL  18          3HG2      VAL  18   2.565   8.270  -4.309
  136    H    ASN  19           H        ASN  19   6.480  10.130  -7.068
  137    HA   ASN  19           HA       ASN  19   6.557   8.834  -9.528
  138   1HB   ASN  19          2HB       ASN  19   8.609  10.667  -8.277
  139   2HB   ASN  19          1HB       ASN  19   8.644  10.151  -9.960
  140   1HD2  ASN  19          1HD2      ASN  19   8.007  12.698  -8.222
  141   2HD2  ASN  19          2HD2      ASN  19   6.678  13.392  -9.082
  142    H    ALA  20           H        ALA  20   8.811   8.551  -6.797
  143    HA   ALA  20           HA       ALA  20  10.347   6.525  -8.197
  144   1HB   ALA  20          1HB       ALA  20  11.357   8.302  -6.696
  145   2HB   ALA  20          2HB       ALA  20  11.900   6.646  -6.433
  146   3HB   ALA  20          3HB       ALA  20  10.723   7.371  -5.339
  147    H    ALA  21           H        ALA  21   7.810   6.686  -5.838
  148    HA   ALA  21           HA       ALA  21   8.151   4.195  -4.589
  149   1HB   ALA  21          1HB       ALA  21   5.735   4.368  -4.051
  150   2HB   ALA  21          2HB       ALA  21   5.640   5.776  -5.108
  151   3HB   ALA  21          3HB       ALA  21   6.652   5.824  -3.664
  152    H    LEU  22           H        LEU  22   6.462   5.097  -7.559
  153    HA   LEU  22           HA       LEU  22   5.531   2.393  -8.022
  154   1HB   LEU  22          2HB       LEU  22   5.496   4.642 -10.017
  155   2HB   LEU  22          1HB       LEU  22   4.428   3.256  -9.926
  156    HG   LEU  22           HG       LEU  22   4.446   5.693  -8.163
  157   1HD1  LEU  22          1HD1      LEU  22   3.229   5.490 -10.458
  158   2HD1  LEU  22          2HD1      LEU  22   2.400   6.200  -9.073
  159   3HD1  LEU  22          3HD1      LEU  22   2.071   4.530  -9.538
  160   1HD2  LEU  22          1HD2      LEU  22   2.929   4.687  -6.691
  161   2HD2  LEU  22          2HD2      LEU  22   4.215   3.500  -6.913
  162   3HD2  LEU  22          3HD2      LEU  22   2.679   3.305  -7.759
  163    H    LYS  23           H        LYS  23   7.686   4.667  -9.611
  164    HA   LYS  23           HA       LYS  23   8.631   3.037 -11.651
  165   1HB   LYS  23          2HB       LYS  23   9.775   5.396 -10.215
  166   2HB   LYS  23          1HB       LYS  23  10.751   4.547 -11.405
  167   1HG   LYS  23          2HG       LYS  23   9.468   6.569 -12.221
  168   2HG   LYS  23          1HG       LYS  23   9.284   5.087 -13.159
  169   1HD   LYS  23          2HD       LYS  23   7.136   4.668 -12.237
  170   2HD   LYS  23          1HD       LYS  23   7.344   5.918 -11.011
  171   1HE   LYS  23          2HE       LYS  23   5.863   6.671 -12.801
  172   2HE   LYS  23          1HE       LYS  23   7.341   7.631 -12.758
  173   1HZ   LYS  23          1HZ       LYS  23   6.325   5.926 -14.834
  174   2HZ   LYS  23          2HZ       LYS  23   7.951   5.627 -14.476
  175   3HZ   LYS  23          3HZ       LYS  23   7.455   7.182 -14.924
  176    H    ALA  24           H        ALA  24   9.740   3.260  -8.313
  177    HA   ALA  24           HA       ALA  24  12.136   1.869  -8.518
  178   1HB   ALA  24          1HB       ALA  24  11.935   1.375  -6.177
  179   2HB   ALA  24          2HB       ALA  24  10.194   1.652  -6.223
  180   3HB   ALA  24          3HB       ALA  24  11.308   2.997  -6.466
  181    H    LEU  25           H        LEU  25   8.839   0.690  -8.470
  182    HA   LEU  25           HA       LEU  25   9.521  -2.068  -8.151
  183   1HB   LEU  25          2HB       LEU  25   7.011  -0.753  -9.196
  184   2HB   LEU  25          1HB       LEU  25   7.172  -2.469  -8.874
  185    HG   LEU  25           HG       LEU  25   7.396  -0.282  -6.804
  186   1HD1  LEU  25          1HD1      LEU  25   5.150  -0.306  -7.141
  187   2HD1  LEU  25          2HD1      LEU  25   5.269  -1.680  -6.041
  188   3HD1  LEU  25          3HD1      LEU  25   5.150  -1.950  -7.781
  189   1HD2  LEU  25          1HD2      LEU  25   8.757  -2.348  -6.395
  190   2HD2  LEU  25          2HD2      LEU  25   7.250  -3.263  -6.398
  191   3HD2  LEU  25          3HD2      LEU  25   7.521  -2.021  -5.177
  192    H    GLY  26           H        GLY  26   9.192   0.118 -10.859
  193   1HA   GLY  26          2HA       GLY  26   8.951  -1.800 -12.915
  194   2HA   GLY  26          1HA       GLY  26   9.567  -0.167 -13.107
  195    H    ASP  27           H        ASP  27  11.520  -1.272 -10.822
  196    HA   ASP  27           HA       ASP  27  13.435  -2.427 -12.746
  197   1HB   ASP  27          2HB       ASP  27  14.021  -0.151 -11.898
  198   2HB   ASP  27          1HB       ASP  27  14.072  -0.812 -10.267
  199    H    ILE  28           H        ILE  28  11.910  -2.710  -9.647
  200    HA   ILE  28           HA       ILE  28  13.507  -4.424  -8.233
  201    HB   ILE  28           HB       ILE  28  10.500  -4.417  -8.479
  202   1HG1  ILE  28          2HG1      ILE  28  11.464  -2.368  -7.561
  203   2HG1  ILE  28          1HG1      ILE  28  10.606  -3.255  -6.305
  204   1HG2  ILE  28          1HG2      ILE  28  11.780  -5.619  -6.100
  205   2HG2  ILE  28          2HG2      ILE  28  11.786  -6.572  -7.584
  206   3HG2  ILE  28          3HG2      ILE  28  10.259  -6.017  -6.899
  207   1HD1  ILE  28          1HD1      ILE  28  13.218  -4.175  -6.146
  208   2HD1  ILE  28          2HD1      ILE  28  12.423  -3.033  -5.062
  209   3HD1  ILE  28          3HD1      ILE  28  13.365  -2.441  -6.431
  210    HA   PRO  29           HA       PRO  29  13.894  -8.128 -10.639
  211   1HB   PRO  29          2HB       PRO  29  14.361  -9.912  -8.627
  212   2HB   PRO  29          1HB       PRO  29  15.581  -8.788  -9.233
  213   1HG   PRO  29          2HG       PRO  29  13.829  -8.557  -6.816
  214   2HG   PRO  29          1HG       PRO  29  15.557  -8.197  -6.982
  215   1HD   PRO  29          2HD       PRO  29  13.701  -6.253  -7.002
  216   2HD   PRO  29          1HD       PRO  29  15.160  -6.161  -8.005
  217    H    GLU  30           H        GLU  30  12.468  -9.511 -11.465
  218    HA   GLU  30           HA       GLU  30  10.528 -10.649 -11.810
  219   1HB   GLU  30          2HB       GLU  30  10.892 -11.330  -8.886
  220   2HB   GLU  30          1HB       GLU  30   9.858 -12.191 -10.017
  221   1HG   GLU  30          2HG       GLU  30  12.833 -11.916 -10.316
  222   2HG   GLU  30          1HG       GLU  30  12.034 -13.298  -9.564
  223    H    SER  31           H        SER  31  10.225  -7.911 -11.214
  224    HA   SER  31           HA       SER  31   7.468  -7.933 -10.281
  225   1HB   SER  31          2HB       SER  31   9.568  -6.124  -9.053
  226   2HB   SER  31          1HB       SER  31   7.832  -6.020  -8.757
  227    HG   SER  31           HG       SER  31   8.434  -7.288  -7.146
  228    H    HIS  32           H        HIS  32   6.261  -6.760 -11.610
  229    HA   HIS  32           HA       HIS  32   7.373  -4.381 -12.890
  230   1HB   HIS  32          2HB       HIS  32   6.140  -6.668 -14.443
  231   2HB   HIS  32          1HB       HIS  32   6.550  -5.095 -15.112
  232    HD1  HIS  32           1HD      HIS  32   8.415  -7.840 -13.229
  233    HD2  HIS  32           2HD      HIS  32   8.940  -5.148 -16.352
  234    HE1  HIS  32           1HE      HIS  32  10.718  -8.296 -14.131
  235    HE2  HIS  32           2HE      HIS  32  10.971  -6.728 -16.087
  236    H    ILE  33           H        ILE  33   5.962  -2.819 -12.447
  237    HA   ILE  33           HA       ILE  33   3.347  -3.247 -11.542
  238    HB   ILE  33           HB       ILE  33   4.724  -0.789 -12.584
  239   1HG1  ILE  33          2HG1      ILE  33   3.797  -1.685  -9.851
  240   2HG1  ILE  33          1HG1      ILE  33   5.458  -1.656 -10.428
  241   1HG2  ILE  33          1HG2      ILE  33   1.950  -0.907 -11.403
  242   2HG2  ILE  33          2HG2      ILE  33   2.316  -0.624 -13.104
  243   3HG2  ILE  33          3HG2      ILE  33   2.831   0.541 -11.885
  244   1HD1  ILE  33          1HD1      ILE  33   5.011   0.882 -10.773
  245   2HD1  ILE  33          2HD1      ILE  33   5.353   0.256  -9.158
  246   3HD1  ILE  33          3HD1      ILE  33   3.692   0.609  -9.634
  247    H    LEU  34           H        LEU  34   1.423  -3.375 -12.475
  248    HA   LEU  34           HA       LEU  34   1.326  -3.379 -15.410
  249   1HB   LEU  34          2HB       LEU  34   0.676  -5.405 -13.940
  250   2HB   LEU  34          1HB       LEU  34  -0.778  -4.500 -13.575
  251    HG   LEU  34           HG       LEU  34  -1.146  -6.155 -15.347
  252   1HD1  LEU  34          1HD1      LEU  34  -2.432  -4.040 -15.327
  253   2HD1  LEU  34          2HD1      LEU  34  -2.258  -4.747 -16.934
  254   3HD1  LEU  34          3HD1      LEU  34  -1.269  -3.364 -16.467
  255   1HD2  LEU  34          1HD2      LEU  34  -0.089  -5.941 -17.513
  256   2HD2  LEU  34          2HD2      LEU  34   1.132  -6.160 -16.259
  257   3HD2  LEU  34          3HD2      LEU  34   0.848  -4.560 -16.945
  258    H    THR  35           H        THR  35  -0.974  -2.678 -12.757
  259    HA   THR  35           HA       THR  35  -1.840  -0.301 -14.272
  260    HB   THR  35           HB       THR  35  -4.080  -0.631 -13.185
  261    HG1  THR  35           1HG      THR  35  -3.039  -3.187 -12.548
  262   1HG2  THR  35          1HG2      THR  35  -3.508  -3.124 -14.702
  263   2HG2  THR  35          2HG2      THR  35  -3.378  -1.561 -15.509
  264   3HG2  THR  35          3HG2      THR  35  -4.905  -2.049 -14.777
  265    H    VAL  36           H        VAL  36  -2.403   1.557 -13.089
  266    HA   VAL  36           HA       VAL  36  -1.601   1.547 -10.253
  267    HB   VAL  36           HB       VAL  36  -0.943   3.723 -12.246
  268   1HG1  VAL  36          1HG1      VAL  36   0.520   3.781  -9.763
  269   2HG1  VAL  36          2HG1      VAL  36  -1.219   3.853  -9.474
  270   3HG1  VAL  36          3HG1      VAL  36  -0.451   5.043 -10.526
  271   1HG2  VAL  36          1HG2      VAL  36   1.350   2.539 -11.020
  272   2HG2  VAL  36          2HG2      VAL  36   0.935   2.645 -12.730
  273   3HG2  VAL  36          3HG2      VAL  36   0.373   1.277 -11.769
  274    H    SER  37           H        SER  37  -2.849   2.732  -8.880
  275    HA   SER  37           HA       SER  37  -5.425   3.588  -9.809
  276   1HB   SER  37          2HB       SER  37  -5.889   4.069  -7.461
  277   2HB   SER  37          1HB       SER  37  -5.078   2.514  -7.589
  278    HG   SER  37           HG       SER  37  -3.248   4.446  -7.344
  279    H    SER  38           H        SER  38  -5.981   5.827  -8.273
  280    HA   SER  38           HA       SER  38  -4.405   7.859  -9.681
  281   1HB   SER  38          2HB       SER  38  -7.093   8.093  -8.300
  282   2HB   SER  38          1HB       SER  38  -6.282   9.384  -9.186
  283    HG   SER  38           HG       SER  38  -6.945   6.892 -10.355
  284    H    PHE  39           H        PHE  39  -4.753  10.069  -8.154
  285    HA   PHE  39           HA       PHE  39  -3.355   9.335  -5.671
  286   1HB   PHE  39          2HB       PHE  39  -3.303  12.083  -6.905
  287   2HB   PHE  39          1HB       PHE  39  -2.180  11.375  -5.757
  288    HD1  PHE  39           1HD      PHE  39  -0.193  10.437  -6.496
  289    HD2  PHE  39           2HD      PHE  39  -3.376  11.021  -9.259
  290    HE1  PHE  39           1HE      PHE  39   1.296   9.787  -8.342
  291    HE2  PHE  39           2HE      PHE  39  -1.892  10.369 -11.112
  292    HZ   PHE  39           HZ       PHE  39   0.444   9.733 -10.649
  293    H    TYR  40           H        TYR  40  -4.599   9.424  -3.933
  294    HA   TYR  40           HA       TYR  40  -6.764  11.422  -3.869
  295   1HB   TYR  40          2HB       TYR  40  -6.626   8.774  -2.412
  296   2HB   TYR  40          1HB       TYR  40  -7.961   9.916  -2.352
  297    HD1  TYR  40           1HD      TYR  40  -6.018   7.837  -4.785
  298    HD2  TYR  40           2HD      TYR  40  -9.740   9.666  -3.812
  299    HE1  TYR  40           1HE      TYR  40  -7.062   6.727  -6.711
  300    HE2  TYR  40           2HE      TYR  40 -10.790   8.555  -5.739
  301    HH   TYR  40           HH       TYR  40 -10.383   7.414  -7.655
  302    H    ARG  41           H        ARG  41  -6.934  12.788  -2.193
  303    HA   ARG  41           HA       ARG  41  -4.723  12.942  -0.324
  304   1HB   ARG  41          2HB       ARG  41  -5.631  14.982  -1.419
  305   2HB   ARG  41          1HB       ARG  41  -7.165  14.712  -0.606
  306   1HG   ARG  41          2HG       ARG  41  -5.884  14.856   1.570
  307   2HG   ARG  41          1HG       ARG  41  -4.524  15.438   0.608
  308   1HD   ARG  41          2HD       ARG  41  -7.257  16.707   0.677
  309   2HD   ARG  41          1HD       ARG  41  -5.866  17.262   1.605
  310    HE   ARG  41           HE       ARG  41  -5.167  17.153  -1.111
  311   1HH1  ARG  41          1HH1      ARG  41  -7.208  18.965   1.058
  312   2HH1  ARG  41          2HH1      ARG  41  -7.126  20.421   0.123
  313   1HH2  ARG  41          1HH2      ARG  41  -5.048  19.071  -2.341
  314   2HH2  ARG  41          2HH2      ARG  41  -5.899  20.482  -1.806
  315    H    THR  42           H        THR  42  -4.924  12.729   1.943
  316    HA   THR  42           HA       THR  42  -7.475  12.187   3.147
  317    HB   THR  42           HB       THR  42  -7.144  10.045   2.095
  318    HG1  THR  42           1HG      THR  42  -6.362   9.221   4.564
  319   1HG2  THR  42          1HG2      THR  42  -5.271   8.627   2.481
  320   2HG2  THR  42          2HG2      THR  42  -4.540   9.805   3.569
  321   3HG2  THR  42          3HG2      THR  42  -4.684  10.163   1.847
  322    HA   PRO  43           HA       PRO  43  -5.231  13.446   6.741
  323   1HB   PRO  43          2HB       PRO  43  -6.859  12.532   8.691
  324   2HB   PRO  43          1HB       PRO  43  -7.312  13.889   7.650
  325   1HG   PRO  43          2HG       PRO  43  -8.117  11.008   7.462
  326   2HG   PRO  43          1HG       PRO  43  -9.118  12.461   7.287
  327   1HD   PRO  43          2HD       PRO  43  -8.172  11.053   5.160
  328   2HD   PRO  43          1HD       PRO  43  -8.456  12.809   5.112
  329    HA   PRO  44           HA       PRO  44  -2.762   9.696   7.352
  330   1HB   PRO  44          2HB       PRO  44  -1.364  11.521   9.231
  331   2HB   PRO  44          1HB       PRO  44  -0.706  10.517   7.933
  332   1HG   PRO  44          2HG       PRO  44  -0.916  13.164   7.653
  333   2HG   PRO  44          1HG       PRO  44  -1.212  12.064   6.294
  334   1HD   PRO  44          2HD       PRO  44  -3.164  13.560   7.985
  335   2HD   PRO  44          1HD       PRO  44  -3.224  13.185   6.250
  336    H    LEU  45           H        LEU  45  -2.015   8.483   9.317
  337    HA   LEU  45           HA       LEU  45  -3.532   9.067  11.733
  338   1HB   LEU  45          2HB       LEU  45  -4.943   7.656  10.216
  339   2HB   LEU  45          1HB       LEU  45  -3.734   6.398  10.348
  340    HG   LEU  45           HG       LEU  45  -5.053   7.485  12.815
  341   1HD1  LEU  45          1HD1      LEU  45  -6.123   5.196  11.177
  342   2HD1  LEU  45          2HD1      LEU  45  -6.796   6.826  11.134
  343   3HD1  LEU  45          3HD1      LEU  45  -6.820   5.900  12.637
  344   1HD2  LEU  45          1HD2      LEU  45  -4.431   4.632  12.510
  345   2HD2  LEU  45          2HD2      LEU  45  -4.109   5.729  13.854
  346   3HD2  LEU  45          3HD2      LEU  45  -3.029   5.703  12.460
  347    H    GLY  46           H        GLY  46  -1.873   9.233  13.088
  348   1HA   GLY  46          2HA       GLY  46  -0.631   7.461  14.511
  349   2HA   GLY  46          1HA       GLY  46   0.254   7.206  13.012
  350    HA   PRO  47           HA       PRO  47   2.551  10.628  14.909
  351   1HB   PRO  47          2HB       PRO  47   4.883   9.367  15.136
  352   2HB   PRO  47          1HB       PRO  47   3.549   9.026  16.237
  353   1HG   PRO  47          2HG       PRO  47   4.704   7.334  14.140
  354   2HG   PRO  47          1HG       PRO  47   3.634   6.881  15.477
  355   1HD   PRO  47          2HD       PRO  47   2.960   7.483  12.689
  356   2HD   PRO  47          1HD       PRO  47   1.962   6.720  13.948
  357    H    GLN  48           H        GLN  48   3.004  12.193  13.413
  358    HA   GLN  48           HA       GLN  48   5.397  12.307  12.080
  359   1HB   GLN  48          2HB       GLN  48   5.231  11.294  10.116
  360   2HB   GLN  48          1HB       GLN  48   3.688  10.637  10.609
  361   1HG   GLN  48          2HG       GLN  48   3.852  13.356   9.384
  362   2HG   GLN  48          1HG       GLN  48   3.939  11.923   8.370
  363   1HE2  GLN  48          1HE2      GLN  48   2.003  11.370  11.084
  364   2HE2  GLN  48          2HE2      GLN  48   0.477  11.640  10.340
  365    H    ASP  49           H        ASP  49   2.007  13.266  11.755
  366    HA   ASP  49           HA       ASP  49   2.249  15.889  12.463
  367   1HB   ASP  49          2HB       ASP  49   3.796  16.182  10.554
  368   2HB   ASP  49          1HB       ASP  49   2.532  15.640   9.457
  369    H    GLN  50           H        GLN  50   0.849  13.615  10.284
  370    HA   GLN  50           HA       GLN  50  -1.267  13.045   9.734
  371   1HB   GLN  50          2HB       GLN  50  -2.151  14.810  12.001
  372   2HB   GLN  50          1HB       GLN  50  -3.007  13.444  11.303
  373   1HG   GLN  50          2HG       GLN  50  -0.360  13.186  12.695
  374   2HG   GLN  50          1HG       GLN  50  -1.911  13.037  13.523
  375   1HE2  GLN  50          1HE2      GLN  50   0.511  11.354  12.114
  376   2HE2  GLN  50          2HE2      GLN  50  -0.304   9.882  11.765
  377    HA   PRO  51           HA       PRO  51  -2.145  17.481   8.142
  378   1HB   PRO  51          2HB       PRO  51  -0.736  17.488   5.803
  379   2HB   PRO  51          1HB       PRO  51  -0.120  18.153   7.318
  380   1HG   PRO  51          2HG       PRO  51   0.503  15.557   5.998
  381   2HG   PRO  51          1HG       PRO  51   1.552  16.623   6.939
  382   1HD   PRO  51          2HD       PRO  51   0.433  14.314   7.908
  383   2HD   PRO  51          1HD       PRO  51   0.939  15.682   8.914
  384    H    ASP  52           H        ASP  52  -1.254  15.611   5.317
  385    HA   ASP  52           HA       ASP  52  -3.636  14.215   4.897
  386   1HB   ASP  52          2HB       ASP  52  -4.575  15.621   3.042
  387   2HB   ASP  52          1HB       ASP  52  -4.740  16.340   4.640
  388    H    TYR  53           H        TYR  53  -1.803  12.814   4.450
  389    HA   TYR  53           HA       TYR  53  -0.026  13.315   2.324
  390   1HB   TYR  53          2HB       TYR  53   0.719  11.052   2.573
  391   2HB   TYR  53          1HB       TYR  53   0.408  11.710   4.171
  392    HD1  TYR  53           1HD      TYR  53  -1.089   9.563   1.532
  393    HD2  TYR  53           2HD      TYR  53  -0.994  10.564   5.665
  394    HE1  TYR  53           1HE      TYR  53  -2.558   7.653   2.023
  395    HE2  TYR  53           2HE      TYR  53  -2.455   8.652   6.169
  396    HH   TYR  53           HH       TYR  53  -4.320   7.192   4.176
  397    H    LEU  54           H        LEU  54   0.190  11.594   0.519
  398    HA   LEU  54           HA       LEU  54  -2.387  11.534  -0.906
  399   1HB   LEU  54          2HB       LEU  54  -0.506  12.905  -1.868
  400   2HB   LEU  54          1HB       LEU  54   0.383  11.414  -2.097
  401    HG   LEU  54           HG       LEU  54  -1.497  10.614  -3.562
  402   1HD1  LEU  54          1HD1      LEU  54  -2.510  13.280  -2.815
  403   2HD1  LEU  54          2HD1      LEU  54  -3.381  11.816  -3.270
  404   3HD1  LEU  54          3HD1      LEU  54  -2.666  12.839  -4.514
  405   1HD2  LEU  54          1HD2      LEU  54   0.689  11.652  -4.315
  406   2HD2  LEU  54          2HD2      LEU  54  -0.216  13.148  -4.556
  407   3HD2  LEU  54          3HD2      LEU  54  -0.643  11.703  -5.471
  408    H    ASN  55           H        ASN  55  -3.266   9.612  -1.289
  409    HA   ASN  55           HA       ASN  55  -1.612   7.216  -0.932
  410   1HB   ASN  55          2HB       ASN  55  -3.676   6.026  -0.481
  411   2HB   ASN  55          1HB       ASN  55  -3.604   7.466   0.530
  412   1HD2  ASN  55          1HD2      ASN  55  -5.350   8.664   0.590
  413   2HD2  ASN  55          2HD2      ASN  55  -6.610   8.693  -0.590
  414    H    ALA  56           H        ALA  56  -1.841   5.441  -2.375
  415    HA   ALA  56           HA       ALA  56  -3.403   5.515  -4.720
  416   1HB   ALA  56          1HB       ALA  56  -0.684   5.770  -5.714
  417   2HB   ALA  56          2HB       ALA  56  -1.252   7.228  -4.901
  418   3HB   ALA  56          3HB       ALA  56  -2.165   6.559  -6.254
  419    H    ALA  57           H        ALA  57  -3.800   3.352  -4.502
  420    HA   ALA  57           HA       ALA  57  -1.753   1.455  -3.892
  421   1HB   ALA  57          1HB       ALA  57  -3.795   0.654  -3.243
  422   2HB   ALA  57          2HB       ALA  57  -3.660  -0.124  -4.820
  423   3HB   ALA  57          3HB       ALA  57  -4.629   1.337  -4.637
  424    H    VAL  58           H        VAL  58  -1.512  -0.519  -5.475
  425    HA   VAL  58           HA       VAL  58  -1.696   0.068  -8.264
  426    HB   VAL  58           HB       VAL  58   0.182   1.481  -7.850
  427   1HG1  VAL  58          1HG1      VAL  58   2.168  -0.439  -7.050
  428   2HG1  VAL  58          2HG1      VAL  58   0.848  -0.385  -5.879
  429   3HG1  VAL  58          3HG1      VAL  58   1.721   1.092  -6.295
  430   1HG2  VAL  58          1HG2      VAL  58   0.554   0.608  -9.921
  431   2HG2  VAL  58          2HG2      VAL  58   0.622  -1.052  -9.329
  432   3HG2  VAL  58          3HG2      VAL  58   2.003   0.022  -9.107
  433    H    ALA  59           H        ALA  59  -2.080  -1.803  -9.212
  434    HA   ALA  59           HA       ALA  59  -1.502  -4.280  -7.888
  435   1HB   ALA  59          1HB       ALA  59  -2.749  -3.586 -10.535
  436   2HB   ALA  59          2HB       ALA  59  -3.530  -4.216  -9.084
  437   3HB   ALA  59          3HB       ALA  59  -2.462  -5.253 -10.031
  438    H    LEU  60           H        LEU  60   0.730  -4.364  -7.751
  439    HA   LEU  60           HA       LEU  60   2.457  -4.128 -10.005
  440   1HB   LEU  60          2HB       LEU  60   3.322  -3.635  -7.828
  441   2HB   LEU  60          1HB       LEU  60   2.848  -5.207  -7.218
  442    HG   LEU  60           HG       LEU  60   4.552  -6.274  -8.664
  443   1HD1  LEU  60          1HD1      LEU  60   5.222  -5.120 -10.449
  444   2HD1  LEU  60          2HD1      LEU  60   6.258  -4.217  -9.344
  445   3HD1  LEU  60          3HD1      LEU  60   4.668  -3.588  -9.774
  446   1HD2  LEU  60          1HD2      LEU  60   5.816  -6.100  -6.850
  447   2HD2  LEU  60          2HD2      LEU  60   4.991  -4.614  -6.380
  448   3HD2  LEU  60          3HD2      LEU  60   6.407  -4.543  -7.428
  449    H    GLU  61           H        GLU  61   2.779  -5.585 -11.547
  450    HA   GLU  61           HA       GLU  61   1.830  -8.306 -11.204
  451   1HB   GLU  61          2HB       GLU  61   1.666  -6.808 -13.339
  452   2HB   GLU  61          1HB       GLU  61   3.336  -7.284 -13.601
  453   1HG   GLU  61          2HG       GLU  61   1.159  -9.307 -13.198
  454   2HG   GLU  61          1HG       GLU  61   1.520  -8.625 -14.780
  455    H    THR  62           H        THR  62   3.208  -9.157  -9.677
  456    HA   THR  62           HA       THR  62   6.006  -9.454 -10.535
  457    HB   THR  62           HB       THR  62   6.025  -7.870  -8.760
  458    HG1  THR  62           1HG      THR  62   7.221  -8.976  -7.227
  459   1HG2  THR  62          1HG2      THR  62   3.749  -8.416  -7.874
  460   2HG2  THR  62          2HG2      THR  62   4.984  -8.112  -6.653
  461   3HG2  THR  62          3HG2      THR  62   4.488  -9.765  -7.013
  462    H    SER  63           H        SER  63   7.069 -11.316  -9.982
  463    HA   SER  63           HA       SER  63   5.381 -13.549  -9.073
  464   1HB   SER  63          2HB       SER  63   7.702 -13.626 -11.024
  465   2HB   SER  63          1HB       SER  63   6.791 -15.028 -10.463
  466    HG   SER  63           HG       SER  63   5.268 -14.565 -11.834
  467    H    LEU  64           H        LEU  64   7.552 -11.464  -8.074
  468    HA   LEU  64           HA       LEU  64   9.723 -12.937  -7.071
  469   1HB   LEU  64          2HB       LEU  64   9.287 -10.367  -7.211
  470   2HB   LEU  64          1HB       LEU  64   8.555 -10.571  -5.637
  471    HG   LEU  64           HG       LEU  64  10.951  -9.783  -5.647
  472   1HD1  LEU  64          1HD1      LEU  64  11.279 -10.675  -3.611
  473   2HD1  LEU  64          2HD1      LEU  64  11.001 -12.325  -4.166
  474   3HD1  LEU  64          3HD1      LEU  64   9.632 -11.262  -3.838
  475   1HD2  LEU  64          1HD2      LEU  64  11.632 -12.644  -6.258
  476   2HD2  LEU  64          2HD2      LEU  64  12.711 -11.254  -6.149
  477   3HD2  LEU  64          3HD2      LEU  64  11.592 -11.395  -7.502
  478    H    ALA  65           H        ALA  65  10.136 -13.598  -4.862
  479    HA   ALA  65           HA       ALA  65   8.233 -15.302  -3.797
  480   1HB   ALA  65          1HB       ALA  65  10.600 -15.511  -3.283
  481   2HB   ALA  65          2HB       ALA  65   9.660 -15.393  -1.795
  482   3HB   ALA  65          3HB       ALA  65  10.557 -13.994  -2.384
  483    HA   PRO  66           HA       PRO  66   5.307 -12.550  -1.907
  484   1HB   PRO  66          2HB       PRO  66   4.429 -14.336   0.025
  485   2HB   PRO  66          1HB       PRO  66   3.791 -14.198  -1.612
  486   1HG   PRO  66          2HG       PRO  66   5.743 -16.146  -0.495
  487   2HG   PRO  66          1HG       PRO  66   4.474 -16.395  -1.711
  488   1HD   PRO  66          2HD       PRO  66   7.075 -16.181  -2.383
  489   2HD   PRO  66          1HD       PRO  66   5.782 -15.546  -3.424
  490    H    GLU  67           H        GLU  67   7.889 -14.105  -0.212
  491    HA   GLU  67           HA       GLU  67   7.372 -12.581   2.205
  492   1HB   GLU  67          2HB       GLU  67   9.321 -13.791   3.124
  493   2HB   GLU  67          1HB       GLU  67   8.064 -14.867   2.526
  494   1HG   GLU  67          2HG       GLU  67   9.340 -15.188   0.467
  495   2HG   GLU  67          1HG       GLU  67  10.613 -14.145   1.097
  496    H    GLU  68           H        GLU  68   9.609 -12.643  -0.506
  497    HA   GLU  68           HA       GLU  68  11.208 -10.534   0.708
  498   1HB   GLU  68          2HB       GLU  68  12.387 -12.273  -0.531
  499   2HB   GLU  68          1HB       GLU  68  11.497 -11.853  -1.991
  500   1HG   GLU  68          2HG       GLU  68  12.507  -9.639  -1.994
  501   2HG   GLU  68          1HG       GLU  68  13.373 -10.019  -0.507
  502    H    LEU  69           H        LEU  69   8.646 -10.853  -1.587
  503    HA   LEU  69           HA       LEU  69   8.934  -8.631  -3.169
  504   1HB   LEU  69          2HB       LEU  69   7.181 -10.292  -3.418
  505   2HB   LEU  69          1HB       LEU  69   6.389  -9.726  -1.977
  506    HG   LEU  69           HG       LEU  69   5.236  -8.989  -4.005
  507   1HD1  LEU  69          1HD1      LEU  69   6.259  -6.384  -3.231
  508   2HD1  LEU  69          2HD1      LEU  69   5.853  -7.407  -1.851
  509   3HD1  LEU  69          3HD1      LEU  69   4.637  -7.062  -3.081
  510   1HD2  LEU  69          1HD2      LEU  69   7.933  -8.316  -4.821
  511   2HD2  LEU  69          2HD2      LEU  69   6.798  -6.992  -5.082
  512   3HD2  LEU  69          3HD2      LEU  69   6.484  -8.574  -5.791
  513    H    LEU  70           H        LEU  70   7.019  -8.686  -0.135
  514    HA   LEU  70           HA       LEU  70   6.819  -5.879   0.040
  515   1HB   LEU  70          2HB       LEU  70   5.363  -7.272   1.359
  516   2HB   LEU  70          1HB       LEU  70   6.725  -8.001   2.183
  517    HG   LEU  70           HG       LEU  70   6.214  -5.056   2.456
  518   1HD1  LEU  70          1HD1      LEU  70   4.791  -7.305   3.852
  519   2HD1  LEU  70          2HD1      LEU  70   4.098  -5.898   3.047
  520   3HD1  LEU  70          3HD1      LEU  70   4.963  -5.703   4.573
  521   1HD2  LEU  70          1HD2      LEU  70   7.379  -7.100   4.347
  522   2HD2  LEU  70          2HD2      LEU  70   7.335  -5.353   4.574
  523   3HD2  LEU  70          3HD2      LEU  70   8.325  -6.050   3.293
  524    H    ASN  71           H        ASN  71   9.127  -8.173   1.396
  525    HA   ASN  71           HA       ASN  71  10.672  -6.550   2.970
  526   1HB   ASN  71          2HB       ASN  71  11.525  -8.827   1.185
  527   2HB   ASN  71          1HB       ASN  71  12.608  -8.049   2.334
  528   1HD2  ASN  71          1HD2      ASN  71   9.572  -7.928   3.633
  529   2HD2  ASN  71          2HD2      ASN  71   9.628  -9.358   4.597
  530    H    HIS  72           H        HIS  72  10.920  -6.875  -0.582
  531    HA   HIS  72           HA       HIS  72  13.102  -5.009  -0.644
  532   1HB   HIS  72          2HB       HIS  72  13.104  -5.298  -3.024
  533   2HB   HIS  72          1HB       HIS  72  12.946  -6.870  -2.271
  534    HD1  HIS  72           1HD      HIS  72  10.389  -4.296  -3.454
  535    HD2  HIS  72           2HD      HIS  72  11.294  -8.336  -3.772
  536    HE1  HIS  72           1HE      HIS  72   8.593  -5.274  -4.914
  537    HE2  HIS  72           2HE      HIS  72   9.253  -7.686  -5.215
  538    H    THR  73           H        THR  73   9.617  -4.972  -1.315
  539    HA   THR  73           HA       THR  73   9.474  -2.399  -2.433
  540    HB   THR  73           HB       THR  73   7.159  -2.302  -1.587
  541    HG1  THR  73           1HG      THR  73   6.804  -3.268   0.219
  542   1HG2  THR  73          1HG2      THR  73   7.914  -3.891  -3.524
  543   2HG2  THR  73          2HG2      THR  73   6.264  -3.922  -2.900
  544   3HG2  THR  73          3HG2      THR  73   7.427  -5.144  -2.381
  545    H    GLN  74           H        GLN  74  10.250  -3.472   0.708
  546    HA   GLN  74           HA       GLN  74   9.612  -1.133   2.190
  547   1HB   GLN  74          2HB       GLN  74  11.548  -3.397   2.716
  548   2HB   GLN  74          1HB       GLN  74  11.207  -2.115   3.873
  549   1HG   GLN  74          2HG       GLN  74   9.161  -4.017   2.757
  550   2HG   GLN  74          1HG       GLN  74   9.971  -4.203   4.309
  551   1HE2  GLN  74          1HE2      GLN  74   9.645  -0.989   4.007
  552   2HE2  GLN  74          2HE2      GLN  74   8.114  -0.759   4.767
  553    H    ARG  75           H        ARG  75  12.565  -2.336   0.636
  554    HA   ARG  75           HA       ARG  75  14.328  -0.357   1.476
  555   1HB   ARG  75          2HB       ARG  75  14.230  -2.051  -1.009
  556   2HB   ARG  75          1HB       ARG  75  15.501  -0.859  -0.771
  557   1HG   ARG  75          2HG       ARG  75  16.322  -2.985  -0.077
  558   2HG   ARG  75          1HG       ARG  75  16.083  -1.995   1.363
  559   1HD   ARG  75          2HD       ARG  75  13.926  -3.115   1.748
  560   2HD   ARG  75          1HD       ARG  75  14.213  -4.126   0.335
  561    HE   ARG  75           HE       ARG  75  15.463  -5.469   1.671
  562   1HH1  ARG  75          1HH1      ARG  75  15.514  -2.260   3.031
  563   2HH1  ARG  75          2HH1      ARG  75  16.477  -2.715   4.396
  564   1HH2  ARG  75          1HH2      ARG  75  16.725  -6.076   3.468
  565   2HH2  ARG  75          2HH2      ARG  75  17.164  -4.884   4.645
  566    H    ILE  76           H        ILE  76  12.009  -0.352  -1.176
  567    HA   ILE  76           HA       ILE  76  12.777   1.879  -2.596
  568    HB   ILE  76           HB       ILE  76   9.959   1.044  -1.897
  569   1HG1  ILE  76          2HG1      ILE  76  11.656   0.428  -4.327
  570   2HG1  ILE  76          1HG1      ILE  76  11.325  -0.697  -3.014
  571   1HG2  ILE  76          1HG2      ILE  76  10.917   2.796  -4.156
  572   2HG2  ILE  76          2HG2      ILE  76  10.111   3.370  -2.694
  573   3HG2  ILE  76          3HG2      ILE  76   9.251   2.321  -3.824
  574   1HD1  ILE  76          1HD1      ILE  76   9.869  -1.264  -4.773
  575   2HD1  ILE  76          2HD1      ILE  76   9.400   0.417  -5.028
  576   3HD1  ILE  76          3HD1      ILE  76   8.883  -0.431  -3.570
  577    H    GLU  77           H        GLU  77  10.977   1.715   0.431
  578    HA   GLU  77           HA       GLU  77  10.251   4.404   0.661
  579   1HB   GLU  77          2HB       GLU  77   9.427   2.528   2.076
  580   2HB   GLU  77          1HB       GLU  77  10.970   2.516   2.906
  581   1HG   GLU  77          2HG       GLU  77  10.556   4.825   3.637
  582   2HG   GLU  77          1HG       GLU  77   8.979   4.767   2.851
  583    H    LEU  78           H        LEU  78  13.149   2.695   1.770
  584    HA   LEU  78           HA       LEU  78  14.358   5.022   2.905
  585   1HB   LEU  78          2HB       LEU  78  15.603   2.395   2.084
  586   2HB   LEU  78          1HB       LEU  78  16.368   3.618   3.082
  587    HG   LEU  78           HG       LEU  78  13.916   2.014   3.823
  588   1HD1  LEU  78          1HD1      LEU  78  15.464   0.466   4.291
  589   2HD1  LEU  78          2HD1      LEU  78  15.825   1.488   5.684
  590   3HD1  LEU  78          3HD1      LEU  78  16.793   1.625   4.215
  591   1HD2  LEU  78          1HD2      LEU  78  14.552   4.527   4.704
  592   2HD2  LEU  78          2HD2      LEU  78  15.323   3.499   5.909
  593   3HD2  LEU  78          3HD2      LEU  78  13.595   3.345   5.595
  594    H    GLN  79           H        GLN  79  14.292   3.536  -0.236
  595    HA   GLN  79           HA       GLN  79  16.569   4.931  -1.267
  596   1HB   GLN  79          2HB       GLN  79  14.324   3.503  -2.693
  597   2HB   GLN  79          1HB       GLN  79  15.776   4.125  -3.469
  598   1HG   GLN  79          2HG       GLN  79  17.116   2.650  -1.982
  599   2HG   GLN  79          1HG       GLN  79  15.606   1.941  -1.414
  600   1HE2  GLN  79          1HE2      GLN  79  15.112   0.113  -2.358
  601   2HE2  GLN  79          2HE2      GLN  79  15.497  -0.339  -3.978
  602    H    GLN  80           H        GLN  80  13.216   5.654  -0.840
  603    HA   GLN  80           HA       GLN  80  13.212   7.812  -2.765
  604   1HB   GLN  80          2HB       GLN  80  11.152   6.555  -2.352
  605   2HB   GLN  80          1HB       GLN  80  11.193   7.013  -0.657
  606   1HG   GLN  80          2HG       GLN  80   9.576   8.338  -1.871
  607   2HG   GLN  80          1HG       GLN  80  10.892   9.350  -1.277
  608   1HE2  GLN  80          1HE2      GLN  80   8.978   8.689  -3.866
  609   2HE2  GLN  80          2HE2      GLN  80   9.945   9.373  -5.125
  610    H    GLY  81           H        GLY  81  14.150   7.296   0.452
  611   1HA   GLY  81          2HA       GLY  81  15.461   8.883   1.618
  612   2HA   GLY  81          1HA       GLY  81  14.598  10.166   0.783
  613    H    ARG  82           H        ARG  82  13.174   7.365   2.473
  614    HA   ARG  82           HA       ARG  82  11.237   8.898   3.748
  615   1HB   ARG  82          2HB       ARG  82  10.522   6.951   4.627
  616   2HB   ARG  82          1HB       ARG  82  11.756   6.220   3.613
  617   1HG   ARG  82          2HG       ARG  82  13.220   5.919   5.396
  618   2HG   ARG  82          1HG       ARG  82  12.386   7.106   6.402
  619   1HD   ARG  82          2HD       ARG  82  10.425   5.603   6.489
  620   2HD   ARG  82          1HD       ARG  82  11.340   4.403   5.571
  621    HE   ARG  82           HE       ARG  82  12.870   5.056   7.792
  622   1HH1  ARG  82          1HH1      ARG  82   9.762   3.619   7.138
  623   2HH1  ARG  82          2HH1      ARG  82   9.792   2.609   8.546
  624   1HH2  ARG  82          1HH2      ARG  82  12.915   3.730   9.641
  625   2HH2  ARG  82          2HH2      ARG  82  11.584   2.672   9.967
  626    H    VAL  83           H        VAL  83  11.058   9.679   5.877
  627    HA   VAL  83           HA       VAL  83  13.628  10.538   6.946
  628    HB   VAL  83           HB       VAL  83  10.881  11.517   7.698
  629   1HG1  VAL  83          1HG1      VAL  83  12.851  11.951   9.233
  630   2HG1  VAL  83          2HG1      VAL  83  11.976  13.374   8.665
  631   3HG1  VAL  83          3HG1      VAL  83  13.521  12.938   7.935
  632   1HG2  VAL  83          1HG2      VAL  83  12.483  13.233   5.976
  633   2HG2  VAL  83          2HG2      VAL  83  10.791  12.751   5.832
  634   3HG2  VAL  83          3HG2      VAL  83  12.066  11.699   5.206
  635    H    ARG  84           H        ARG  84  14.492   9.578   8.595
  636    HA   ARG  84           HA       ARG  84  13.429   7.455  10.006
  637   1HB   ARG  84          2HB       ARG  84  15.624   9.348  10.853
  638   2HB   ARG  84          1HB       ARG  84  15.313   7.770  11.564
  639   1HG   ARG  84          2HG       ARG  84  15.810   6.691   9.449
  640   2HG   ARG  84          1HG       ARG  84  16.063   8.264   8.691
  641   1HD   ARG  84          2HD       ARG  84  18.179   7.179   9.293
  642   2HD   ARG  84          1HD       ARG  84  17.945   8.700  10.155
  643    HE   ARG  84           HE       ARG  84  18.117   7.510  12.081
  644   1HH1  ARG  84          1HH1      ARG  84  16.907   5.371   9.607
  645   2HH1  ARG  84          2HH1      ARG  84  16.847   3.990  10.653
  646   1HH2  ARG  84          1HH2      ARG  84  18.038   5.698  13.461
  647   2HH2  ARG  84          2HH2      ARG  84  17.488   4.177  12.842
  648    H    LYS  85           H        LYS  85  12.030   7.259  11.564
  649    HA   LYS  85           HA       LYS  85  11.819   8.702  13.900
  650   1HB   LYS  85          2HB       LYS  85  11.128  10.589  12.412
  651   2HB   LYS  85          1HB       LYS  85   9.754   9.627  11.887
  652   1HG   LYS  85          2HG       LYS  85   9.073  11.234  13.560
  653   2HG   LYS  85          1HG       LYS  85   8.908   9.593  14.187
  654   1HD   LYS  85          2HD       LYS  85  11.026   9.835  15.388
  655   2HD   LYS  85          1HD       LYS  85  11.204  11.470  14.748
  656   1HE   LYS  85          2HE       LYS  85   9.153  12.143  15.897
  657   2HE   LYS  85          1HE       LYS  85   8.961  10.506  16.522
  658   1HZ   LYS  85          1HZ       LYS  85  11.533  11.631  17.109
  659   2HZ   LYS  85          2HZ       LYS  85  10.417  10.894  18.144
  660   3HZ   LYS  85          3HZ       LYS  85  10.265  12.536  17.767
  661    H    ALA  86           H        ALA  86   9.774   8.151  15.107
  662    HA   ALA  86           HA       ALA  86   9.193   5.436  14.875
  663   1HB   ALA  86          1HB       ALA  86   7.989   5.716  16.755
  664   2HB   ALA  86          2HB       ALA  86   7.071   7.068  16.089
  665   3HB   ALA  86          3HB       ALA  86   8.688   7.336  16.742
  666    H    GLU  87           H        GLU  87   8.216   4.457  13.247
  667    HA   GLU  87           HA       GLU  87   5.839   5.723  12.061
  668   1HB   GLU  87          2HB       GLU  87   7.708   5.821  10.494
  669   2HB   GLU  87          1HB       GLU  87   7.956   4.088  10.653
  670   1HG   GLU  87          2HG       GLU  87   5.789   3.669   9.638
  671   2HG   GLU  87          1HG       GLU  87   5.497   5.405   9.519
  672    H    ARG  88           H        ARG  88   4.629   4.505  13.649
  673    HA   ARG  88           HA       ARG  88   4.635   1.603  13.319
  674   1HB   ARG  88          2HB       ARG  88   3.074   3.334  15.244
  675   2HB   ARG  88          1HB       ARG  88   3.151   1.578  15.269
  676   1HG   ARG  88          2HG       ARG  88   5.498   3.419  15.684
  677   2HG   ARG  88          1HG       ARG  88   4.586   2.624  16.966
  678   1HD   ARG  88          2HD       ARG  88   5.206   0.439  16.025
  679   2HD   ARG  88          1HD       ARG  88   6.149   1.254  14.779
  680    HE   ARG  88           HE       ARG  88   7.840   1.376  16.290
  681   1HH1  ARG  88          1HH1      ARG  88   4.834   1.280  18.057
  682   2HH1  ARG  88          2HH1      ARG  88   5.600   1.330  19.610
  683   1HH2  ARG  88          1HH2      ARG  88   8.851   1.440  18.332
  684   2HH2  ARG  88          2HH2      ARG  88   7.881   1.422  19.766
  685    H    TRP  89           H        TRP  89   2.218   4.221  13.385
  686    HA   TRP  89           HA       TRP  89   0.565   2.625  11.534
  687   1HB   TRP  89          2HB       TRP  89  -0.270   4.539  13.720
  688   2HB   TRP  89          1HB       TRP  89  -1.377   3.920  12.504
  689    HD1  TRP  89           HD       TRP  89   1.225   1.622  14.140
  690    HE1  TRP  89           1HE      TRP  89  -0.009  -0.133  15.555
  691    HE3  TRP  89           3HE      TRP  89  -3.513   3.501  13.801
  692    HZ2  TRP  89           2HZ      TRP  89  -2.646  -0.653  16.421
  693    HZ3  TRP  89           3HZ      TRP  89  -5.336   2.316  14.956
  694    HH2  TRP  89           HH       TRP  89  -4.909   0.281  16.239
  695    H    GLY  90           H        GLY  90   1.842   5.783  12.339
  696   1HA   GLY  90          2HA       GLY  90   0.449   7.263  10.361
  697   2HA   GLY  90          1HA       GLY  90   1.913   7.769  11.187
  698    HA   PRO  91           HA       PRO  91   2.848   6.590   6.731
  699   1HB   PRO  91          2HB       PRO  91   2.771   8.962   5.484
  700   2HB   PRO  91          1HB       PRO  91   1.316   7.993   5.736
  701   1HG   PRO  91          2HG       PRO  91   2.264  10.409   7.202
  702   2HG   PRO  91          1HG       PRO  91   0.613   9.934   6.767
  703   1HD   PRO  91          2HD       PRO  91   1.787   9.587   9.265
  704   2HD   PRO  91          1HD       PRO  91   0.353   8.728   8.675
  705    H    ARG  92           H        ARG  92   3.813   9.906   7.671
  706    HA   ARG  92           HA       ARG  92   5.821  10.878   7.984
  707   1HB   ARG  92          2HB       ARG  92   6.297   9.220   9.662
  708   2HB   ARG  92          1HB       ARG  92   6.737   8.036   8.441
  709   1HG   ARG  92          2HG       ARG  92   8.574   9.346   9.791
  710   2HG   ARG  92          1HG       ARG  92   8.799   8.958   8.085
  711   1HD   ARG  92          2HD       ARG  92   8.811  11.102   7.491
  712   2HD   ARG  92          1HD       ARG  92   7.399  11.470   8.469
  713    HE   ARG  92           HE       ARG  92  10.079  12.065   9.109
  714   1HH1  ARG  92          1HH1      ARG  92   7.144  10.903  10.596
  715   2HH1  ARG  92          2HH1      ARG  92   7.537  11.534  12.160
  716   1HH2  ARG  92          1HH2      ARG  92  10.593  12.906  11.161
  717   2HH2  ARG  92          2HH2      ARG  92   9.496  12.672  12.481
  718    H    THR  93           H        THR  93   5.425  11.339   5.695
  719    HA   THR  93           HA       THR  93   6.338  11.880   3.702
  720    HB   THR  93           HB       THR  93   8.655  10.103   4.515
  721    HG1  THR  93           1HG      THR  93   8.606  12.919   4.555
  722   1HG2  THR  93          1HG2      THR  93   9.962  11.364   2.897
  723   2HG2  THR  93          2HG2      THR  93   8.506  12.220   2.384
  724   3HG2  THR  93          3HG2      THR  93   8.648  10.482   2.119
  725    H    LEU  94           H        LEU  94   6.652   8.469   4.622
  726    HA   LEU  94           HA       LEU  94   4.885   7.666   2.610
  727   1HB   LEU  94          2HB       LEU  94   6.292   6.532   1.030
  728   2HB   LEU  94          1HB       LEU  94   6.762   8.217   1.116
  729    HG   LEU  94           HG       LEU  94   8.230   5.968   2.493
  730   1HD1  LEU  94          1HD1      LEU  94   8.144   6.339  -0.184
  731   2HD1  LEU  94          2HD1      LEU  94   9.538   5.697   0.684
  732   3HD1  LEU  94          3HD1      LEU  94   9.479   7.406   0.254
  733   1HD2  LEU  94          1HD2      LEU  94   8.346   8.821   2.736
  734   2HD2  LEU  94          2HD2      LEU  94   9.860   8.213   2.069
  735   3HD2  LEU  94          3HD2      LEU  94   9.260   7.589   3.605
  736    H    ASP  95           H        ASP  95   4.687   5.336   2.385
  737    HA   ASP  95           HA       ASP  95   6.039   3.536   4.108
  738   1HB   ASP  95          2HB       ASP  95   4.745   4.698   5.838
  739   2HB   ASP  95          1HB       ASP  95   3.258   4.404   4.943
  740    H    LEU  96           H        LEU  96   6.147   2.374   2.163
  741    HA   LEU  96           HA       LEU  96   3.592   1.425   1.085
  742   1HB   LEU  96          2HB       LEU  96   4.760   0.827  -0.931
  743   2HB   LEU  96          1HB       LEU  96   5.147   2.479  -0.510
  744    HG   LEU  96           HG       LEU  96   6.972   0.145   0.053
  745   1HD1  LEU  96          1HD1      LEU  96   7.314   0.120  -2.155
  746   2HD1  LEU  96          2HD1      LEU  96   8.153   1.653  -1.904
  747   3HD1  LEU  96          3HD1      LEU  96   6.459   1.646  -2.396
  748   1HD2  LEU  96          1HD2      LEU  96   8.076   1.629   1.287
  749   2HD2  LEU  96          2HD2      LEU  96   6.977   2.922   0.808
  750   3HD2  LEU  96          3HD2      LEU  96   8.382   2.546  -0.190
  751    H    ASP  97           H        ASP  97   2.920  -0.330   2.111
  752    HA   ASP  97           HA       ASP  97   4.795  -2.583   2.381
  753   1HB   ASP  97          2HB       ASP  97   2.684  -1.742   4.384
  754   2HB   ASP  97          1HB       ASP  97   3.631  -3.218   4.477
  755    H    ILE  98           H        ILE  98   3.885  -4.670   2.150
  756    HA   ILE  98           HA       ILE  98   1.832  -4.850   0.238
  757    HB   ILE  98           HB       ILE  98   3.253  -6.897   1.909
  758   1HG1  ILE  98          2HG1      ILE  98   4.450  -6.123  -0.009
  759   2HG1  ILE  98          1HG1      ILE  98   3.849  -7.732  -0.378
  760   1HG2  ILE  98          1HG2      ILE  98   0.633  -7.218   0.622
  761   2HG2  ILE  98          2HG2      ILE  98   1.411  -8.186   1.874
  762   3HG2  ILE  98          3HG2      ILE  98   1.828  -8.438   0.178
  763   1HD1  ILE  98          1HD1      ILE  98   3.398  -5.268  -1.764
  764   2HD1  ILE  98          2HD1      ILE  98   1.864  -5.980  -1.262
  765   3HD1  ILE  98          3HD1      ILE  98   2.993  -6.916  -2.242
  766    H    MET  99           H        MET  99  -0.262  -4.752   0.432
  767    HA   MET  99           HA       MET  99  -1.481  -5.236   3.070
  768   1HB   MET  99          2HB       MET  99  -2.605  -3.577   0.804
  769   2HB   MET  99          1HB       MET  99  -3.250  -3.711   2.435
  770   1HG   MET  99          2HG       MET  99  -0.651  -2.437   1.619
  771   2HG   MET  99          1HG       MET  99  -2.101  -1.620   2.200
  772   1HE   MET  99          1HE       MET  99  -0.309  -0.534   4.838
  773   2HE   MET  99          2HE       MET  99   0.160  -0.707   3.149
  774   3HE   MET  99          3HE       MET  99   1.112  -1.488   4.411
  775    H    LEU 100           H        LEU 100  -1.324  -6.152  -0.216
  776    HA   LEU 100           HA       LEU 100  -3.069  -8.392   0.256
  777   1HB   LEU 100          2HB       LEU 100  -4.031  -6.064  -1.148
  778   2HB   LEU 100          1HB       LEU 100  -3.961  -7.427  -2.248
  779    HG   LEU 100           HG       LEU 100  -5.415  -7.400   0.401
  780   1HD1  LEU 100          1HD1      LEU 100  -7.337  -7.762  -1.413
  781   2HD1  LEU 100          2HD1      LEU 100  -6.228  -6.778  -2.373
  782   3HD1  LEU 100          3HD1      LEU 100  -6.850  -6.166  -0.838
  783   1HD2  LEU 100          1HD2      LEU 100  -5.618  -9.475  -1.758
  784   2HD2  LEU 100          2HD2      LEU 100  -6.165  -9.565  -0.084
  785   3HD2  LEU 100          3HD2      LEU 100  -4.441  -9.600  -0.450
  786    H    PHE 101           H        PHE 101  -2.315 -10.139  -0.790
  787    HA   PHE 101           HA       PHE 101  -0.681  -9.781  -3.185
  788   1HB   PHE 101          2HB       PHE 101   0.810  -9.735  -1.135
  789   2HB   PHE 101          1HB       PHE 101   0.324 -11.403  -0.844
  790    HD1  PHE 101           1HD      PHE 101   1.436 -13.150  -1.870
  791    HD2  PHE 101           2HD      PHE 101   1.907  -9.204  -3.384
  792    HE1  PHE 101           1HE      PHE 101   3.205 -13.947  -3.389
  793    HE2  PHE 101           2HE      PHE 101   3.673  -9.991  -4.907
  794    HZ   PHE 101           HZ       PHE 101   4.323 -12.366  -4.910
  795    H    GLY 102           H        GLY 102  -2.413 -10.815  -4.271
  796   1HA   GLY 102          2HA       GLY 102  -3.506 -12.622  -5.172
  797   2HA   GLY 102          1HA       GLY 102  -2.159 -13.587  -4.581
  798    H    ASN 103           H        ASN 103  -2.381 -14.777  -2.721
  799    HA   ASN 103           HA       ASN 103  -4.480 -14.409  -0.860
  800   1HB   ASN 103          2HB       ASN 103  -5.812 -16.410  -1.335
  801   2HB   ASN 103          1HB       ASN 103  -5.861 -15.281  -2.685
  802   1HD2  ASN 103          1HD2      ASN 103  -2.864 -16.586  -2.798
  803   2HD2  ASN 103          2HD2      ASN 103  -3.163 -17.914  -3.856
  804    H    GLU 104           H        GLU 104  -1.530 -15.167  -1.305
  805    HA   GLU 104           HA       GLU 104  -1.225 -17.745  -0.131
  806   1HB   GLU 104          2HB       GLU 104   1.152 -17.085   0.176
  807   2HB   GLU 104          1HB       GLU 104   0.564 -16.928  -1.464
  808   1HG   GLU 104          2HG       GLU 104   1.712 -14.970  -1.258
  809   2HG   GLU 104          1HG       GLU 104   0.122 -14.445  -0.723
  810    H    VAL 105           H        VAL 105   0.246 -17.895   1.877
  811    HA   VAL 105           HA       VAL 105  -0.439 -15.971   3.941
  812    HB   VAL 105           HB       VAL 105  -1.337 -18.842   3.971
  813   1HG1  VAL 105          1HG1      VAL 105  -0.587 -17.100   6.207
  814   2HG1  VAL 105          2HG1      VAL 105  -0.823 -18.848   6.167
  815   3HG1  VAL 105          3HG1      VAL 105  -2.210 -17.776   6.348
  816   1HG2  VAL 105          1HG2      VAL 105  -3.120 -17.749   3.102
  817   2HG2  VAL 105          2HG2      VAL 105  -2.666 -16.204   3.819
  818   3HG2  VAL 105          3HG2      VAL 105  -3.454 -17.436   4.804
  819    H    ILE 106           H        ILE 106   1.821 -15.617   3.917
  820    HA   ILE 106           HA       ILE 106   3.327 -17.644   5.411
  821    HB   ILE 106           HB       ILE 106   4.348 -16.157   2.986
  822   1HG1  ILE 106          2HG1      ILE 106   4.978 -18.579   2.347
  823   2HG1  ILE 106          1HG1      ILE 106   3.850 -19.062   3.608
  824   1HG2  ILE 106          1HG2      ILE 106   5.812 -17.606   5.157
  825   2HG2  ILE 106          2HG2      ILE 106   6.155 -16.032   4.439
  826   3HG2  ILE 106          3HG2      ILE 106   6.476 -17.507   3.526
  827   1HD1  ILE 106          1HD1      ILE 106   3.339 -18.202   0.911
  828   2HD1  ILE 106          2HD1      ILE 106   2.447 -17.221   2.075
  829   3HD1  ILE 106          3HD1      ILE 106   2.262 -18.975   2.072
  830    H    ASN 107           H        ASN 107   4.078 -16.798   7.219
  831    HA   ASN 107           HA       ASN 107   4.474 -13.887   7.373
  832   1HB   ASN 107          2HB       ASN 107   3.926 -15.887   9.579
  833   2HB   ASN 107          1HB       ASN 107   4.216 -14.172   9.828
  834   1HD2  ASN 107          1HD2      ASN 107   2.579 -14.364   6.997
  835   2HD2  ASN 107          2HD2      ASN 107   0.965 -14.188   7.581
  836    H    THR 108           H        THR 108   6.556 -13.426   7.039
  837    HA   THR 108           HA       THR 108   8.583 -15.228   8.166
  838    HB   THR 108           HB       THR 108  10.163 -14.037   6.646
  839    HG1  THR 108           1HG      THR 108   7.789 -12.693   5.942
  840   1HG2  THR 108          1HG2      THR 108   9.401 -15.001   4.576
  841   2HG2  THR 108          2HG2      THR 108   7.768 -15.160   5.220
  842   3HG2  THR 108          3HG2      THR 108   9.083 -16.112   5.909
  843    H    GLU 109           H        GLU 109   9.847 -12.184   7.425
  844    HA   GLU 109           HA       GLU 109  10.031 -11.568  10.290
  845   1HB   GLU 109          2HB       GLU 109  11.764 -10.643   7.991
  846   2HB   GLU 109          1HB       GLU 109  12.012 -10.234   9.683
  847   1HG   GLU 109          2HG       GLU 109  12.395 -12.579  10.209
  848   2HG   GLU 109          1HG       GLU 109  12.110 -13.011   8.523
  849    H    ARG 110           H        ARG 110  10.321  -9.522   7.395
  850    HA   ARG 110           HA       ARG 110   8.660  -7.516   8.726
  851   1HB   ARG 110          2HB       ARG 110  10.333  -7.290   6.216
  852   2HB   ARG 110          1HB       ARG 110   9.501  -5.967   7.020
  853   1HG   ARG 110          2HG       ARG 110  10.915  -6.273   8.991
  854   2HG   ARG 110          1HG       ARG 110  11.752  -7.598   8.181
  855   1HD   ARG 110          2HD       ARG 110  12.501  -6.063   6.436
  856   2HD   ARG 110          1HD       ARG 110  11.643  -4.739   7.221
  857    HE   ARG 110           HE       ARG 110  14.224  -5.653   7.854
  858   1HH1  ARG 110          1HH1      ARG 110  11.286  -4.603   9.412
  859   2HH1  ARG 110          2HH1      ARG 110  12.093  -4.034  10.834
  860   1HH2  ARG 110          1HH2      ARG 110  15.293  -4.899   9.723
  861   2HH2  ARG 110          2HH2      ARG 110  14.369  -4.201  11.012
  862    H    LEU 111           H        LEU 111   8.477  -9.892   6.302
  863    HA   LEU 111           HA       LEU 111   6.509  -8.607   4.671
  864   1HB   LEU 111          2HB       LEU 111   7.930 -10.284   3.685
  865   2HB   LEU 111          1HB       LEU 111   7.402 -11.484   4.845
  866    HG   LEU 111           HG       LEU 111   6.458 -11.660   2.496
  867   1HD1  LEU 111          1HD1      LEU 111   4.980 -12.964   3.486
  868   2HD1  LEU 111          2HD1      LEU 111   4.001 -11.556   3.898
  869   3HD1  LEU 111          3HD1      LEU 111   5.251 -12.119   5.009
  870   1HD2  LEU 111          1HD2      LEU 111   5.498  -9.886   1.596
  871   2HD2  LEU 111          2HD2      LEU 111   5.626  -8.995   3.111
  872   3HD2  LEU 111          3HD2      LEU 111   4.216 -10.008   2.802
  873    H    THR 112           H        THR 112   4.372  -8.748   4.688
  874    HA   THR 112           HA       THR 112   3.023 -10.539   6.542
  875    HB   THR 112           HB       THR 112   1.486  -8.467   7.001
  876    HG1  THR 112           1HG      THR 112   3.608  -6.844   7.142
  877   1HG2  THR 112          1HG2      THR 112   3.978  -8.114   8.516
  878   2HG2  THR 112          2HG2      THR 112   3.254  -9.720   8.564
  879   3HG2  THR 112          3HG2      THR 112   2.317  -8.315   9.077
  880    H    VAL 113           H        VAL 113   1.131 -11.317   5.738
  881    HA   VAL 113           HA       VAL 113   0.453 -10.571   3.010
  882    HB   VAL 113           HB       VAL 113   0.487 -12.972   4.302
  883   1HG1  VAL 113          1HG1      VAL 113  -1.355 -12.706   5.717
  884   2HG1  VAL 113          2HG1      VAL 113  -1.943 -13.697   4.379
  885   3HG1  VAL 113          3HG1      VAL 113  -2.337 -11.980   4.444
  886   1HG2  VAL 113          1HG2      VAL 113   0.191 -13.687   2.242
  887   2HG2  VAL 113          2HG2      VAL 113  -0.176 -12.030   1.768
  888   3HG2  VAL 113          3HG2      VAL 113  -1.480 -13.128   2.222
  889    HA   PRO 114           HA       PRO 114  -3.382  -8.145   3.390
  890   1HB   PRO 114          2HB       PRO 114  -4.801 -10.622   4.338
  891   2HB   PRO 114          1HB       PRO 114  -5.429  -9.286   3.364
  892   1HG   PRO 114          2HG       PRO 114  -4.499 -11.596   2.269
  893   2HG   PRO 114          1HG       PRO 114  -4.424 -10.030   1.442
  894   1HD   PRO 114          2HD       PRO 114  -2.242 -11.655   2.412
  895   2HD   PRO 114          1HD       PRO 114  -2.156 -10.133   1.510
  896    H    HIS 115           H        HIS 115  -2.495  -6.976   5.048
  897    HA   HIS 115           HA       HIS 115  -2.433  -7.837   7.758
  898   1HB   HIS 115          2HB       HIS 115  -0.839  -6.219   6.749
  899   2HB   HIS 115          1HB       HIS 115  -2.153  -5.063   6.581
  900    HD1  HIS 115           1HD      HIS 115  -3.429  -4.990   9.263
  901    HD2  HIS 115           2HD      HIS 115   0.683  -5.335   8.774
  902    HE1  HIS 115           1HE      HIS 115  -2.423  -4.144  11.407
  903    HE2  HIS 115           2HE      HIS 115   0.066  -4.393  11.102
  904    H    TYR 116           H        TYR 116  -4.084  -7.876   9.129
  905    HA   TYR 116           HA       TYR 116  -6.661  -6.982   8.584
  906   1HB   TYR 116          2HB       TYR 116  -6.740  -6.960  11.257
  907   2HB   TYR 116          1HB       TYR 116  -6.702  -8.459  10.336
  908    HD1  TYR 116           1HD      TYR 116  -3.939  -6.096  11.145
  909    HD2  TYR 116           2HD      TYR 116  -5.557  -9.991  11.715
  910    HE1  TYR 116           1HE      TYR 116  -1.905  -6.760  12.352
  911    HE2  TYR 116           2HE      TYR 116  -3.526 -10.663  12.921
  912    HH   TYR 116           HH       TYR 116  -1.664  -9.267  14.313
  913    H    ASP 117           H        ASP 117  -6.649  -4.907   7.777
  914    HA   ASP 117           HA       ASP 117  -6.884  -2.766   9.601
  915   1HB   ASP 117          2HB       ASP 117  -4.327  -3.227   9.460
  916   2HB   ASP 117          1HB       ASP 117  -4.447  -2.526   7.852
  917    H    MET 118           H        MET 118  -5.754  -3.484   6.336
  918    HA   MET 118           HA       MET 118  -6.590  -1.312   4.924
  919   1HB   MET 118          2HB       MET 118  -6.705  -2.786   2.973
  920   2HB   MET 118          1HB       MET 118  -5.288  -3.121   3.960
  921   1HG   MET 118          2HG       MET 118  -6.393  -5.059   4.925
  922   2HG   MET 118          1HG       MET 118  -7.847  -4.709   3.989
  923   1HE   MET 118          1HE       MET 118  -6.593  -3.744   1.243
  924   2HE   MET 118          2HE       MET 118  -7.950  -4.866   1.310
  925   3HE   MET 118          3HE       MET 118  -6.543  -5.244   0.317
  926    H    LYS 119           H        LYS 119  -8.527  -4.142   5.738
  927    HA   LYS 119           HA       LYS 119 -10.794  -3.436   4.248
  928   1HB   LYS 119          2HB       LYS 119 -11.921  -5.094   5.814
  929   2HB   LYS 119          1HB       LYS 119 -10.548  -5.673   4.874
  930   1HG   LYS 119          2HG       LYS 119  -9.091  -5.399   6.797
  931   2HG   LYS 119          1HG       LYS 119 -10.448  -4.804   7.751
  932   1HD   LYS 119          2HD       LYS 119 -10.083  -7.129   8.276
  933   2HD   LYS 119          1HD       LYS 119 -11.598  -6.976   7.382
  934   1HE   LYS 119          2HE       LYS 119 -10.296  -8.883   6.591
  935   2HE   LYS 119          1HE       LYS 119 -10.462  -7.660   5.331
  936   1HZ   LYS 119          1HZ       LYS 119  -8.217  -8.471   5.384
  937   2HZ   LYS 119          2HZ       LYS 119  -8.075  -8.130   7.034
  938   3HZ   LYS 119          3HZ       LYS 119  -8.226  -6.867   5.921
  939    H    ASN 120           H        ASN 120  -9.969  -2.852   7.652
  940    HA   ASN 120           HA       ASN 120 -12.465  -1.454   8.077
  941   1HB   ASN 120          2HB       ASN 120 -11.685  -1.145  10.367
  942   2HB   ASN 120          1HB       ASN 120 -11.462  -2.817   9.868
  943   1HD2  ASN 120          1HD2      ASN 120  -9.745  -3.583  10.787
  944   2HD2  ASN 120          2HD2      ASN 120  -8.215  -2.795  10.933
  945    H    ARG 121           H        ARG 121 -10.646  -0.476   6.041
  946    HA   ARG 121           HA       ARG 121 -10.543   2.309   6.859
  947   1HB   ARG 121          2HB       ARG 121  -8.084   0.852   5.864
  948   2HB   ARG 121          1HB       ARG 121  -8.206   2.588   6.093
  949   1HG   ARG 121          2HG       ARG 121  -8.571   0.609   8.324
  950   2HG   ARG 121          1HG       ARG 121  -7.012   1.318   7.899
  951   1HD   ARG 121          2HD       ARG 121  -7.923   3.554   8.302
  952   2HD   ARG 121          1HD       ARG 121  -9.483   2.847   8.719
  953    HE   ARG 121           HE       ARG 121  -7.498   1.720  10.354
  954   1HH1  ARG 121          1HH1      ARG 121  -9.164   4.739   9.844
  955   2HH1  ARG 121          2HH1      ARG 121  -8.998   5.256  11.488
  956   1HH2  ARG 121          1HH2      ARG 121  -7.274   2.395  12.517
  957   2HH2  ARG 121          2HH2      ARG 121  -7.923   3.923  13.009
  958    H    GLY 122           H        GLY 122 -10.412   3.763   5.076
  959   1HA   GLY 122          2HA       GLY 122 -11.254   2.554   2.526
  960   2HA   GLY 122          1HA       GLY 122 -11.481   4.233   2.999
  961    H    PHE 123           H        PHE 123  -8.481   3.346   3.932
  962    HA   PHE 123           HA       PHE 123  -7.201   4.857   1.851
  963   1HB   PHE 123          2HB       PHE 123  -6.381   5.289   4.009
  964   2HB   PHE 123          1HB       PHE 123  -6.316   3.582   4.424
  965    HD1  PHE 123           1HD      PHE 123  -4.128   3.005   4.902
  966    HD2  PHE 123           2HD      PHE 123  -4.927   5.544   1.580
  967    HE1  PHE 123           1HE      PHE 123  -1.741   2.973   4.305
  968    HE2  PHE 123           2HE      PHE 123  -2.542   5.514   0.978
  969    HZ   PHE 123           HZ       PHE 123  -0.930   4.192   2.412
  970    H    MET 124           H        MET 124  -7.079   1.529   3.038
  971    HA   MET 124           HA       MET 124  -5.302   0.776   0.873
  972   1HB   MET 124          2HB       MET 124  -6.452  -0.892   3.114
  973   2HB   MET 124          1HB       MET 124  -5.192  -1.394   1.990
  974   1HG   MET 124          2HG       MET 124  -3.749   0.420   2.820
  975   2HG   MET 124          1HG       MET 124  -5.000   0.859   3.978
  976   1HE   MET 124          1HE       MET 124  -3.295   0.294   6.391
  977   2HE   MET 124          2HE       MET 124  -2.414   0.687   4.914
  978   3HE   MET 124          3HE       MET 124  -1.937  -0.708   5.881
  979    H    LEU 125           H        LEU 125  -8.699   0.518   1.610
  980    HA   LEU 125           HA       LEU 125  -9.163  -1.616  -0.284
  981   1HB   LEU 125          2HB       LEU 125 -11.021   0.148   1.290
  982   2HB   LEU 125          1HB       LEU 125 -11.590  -1.053   0.152
  983    HG   LEU 125           HG       LEU 125 -10.027  -1.580   2.672
  984   1HD1  LEU 125          1HD1      LEU 125 -12.895  -1.850   1.893
  985   2HD1  LEU 125          2HD1      LEU 125 -12.191  -1.151   3.350
  986   3HD1  LEU 125          3HD1      LEU 125 -12.196  -2.900   3.129
  987   1HD2  LEU 125          1HD2      LEU 125 -11.193  -3.902   1.457
  988   2HD2  LEU 125          2HD2      LEU 125  -9.515  -3.606   1.916
  989   3HD2  LEU 125          3HD2      LEU 125 -10.094  -3.111   0.326
  990    H    TRP 126           H        TRP 126 -10.357   1.719  -0.108
  991    HA   TRP 126           HA       TRP 126 -11.627   1.911  -2.493
  992   1HB   TRP 126          2HB       TRP 126 -11.723   3.635  -0.804
  993   2HB   TRP 126          1HB       TRP 126 -10.038   4.051  -1.082
  994    HD1  TRP 126           HD       TRP 126 -10.188   6.418  -1.985
  995    HE1  TRP 126           1HE      TRP 126 -11.366   7.560  -3.971
  996    HE3  TRP 126           3HE      TRP 126 -13.098   2.518  -3.556
  997    HZ2  TRP 126           2HZ      TRP 126 -13.275   6.896  -5.940
  998    HZ3  TRP 126           3HZ      TRP 126 -14.575   2.856  -5.495
  999    HH2  TRP 126           HH       TRP 126 -14.661   4.999  -6.661
 1000    HA   PRO 127           HA       PRO 127  -7.699   3.476  -4.892
 1001   1HB   PRO 127          2HB       PRO 127  -5.490   2.501  -3.171
 1002   2HB   PRO 127          1HB       PRO 127  -5.646   4.029  -4.047
 1003   1HG   PRO 127          2HG       PRO 127  -5.908   3.975  -1.408
 1004   2HG   PRO 127          1HG       PRO 127  -6.976   4.989  -2.402
 1005   1HD   PRO 127          2HD       PRO 127  -7.530   2.306  -1.163
 1006   2HD   PRO 127          1HD       PRO 127  -8.557   3.757  -1.198
 1007    H    LEU 128           H        LEU 128  -7.114   0.575  -2.923
 1008    HA   LEU 128           HA       LEU 128  -5.814  -0.969  -4.879
 1009   1HB   LEU 128          2HB       LEU 128  -6.613  -1.269  -2.237
 1010   2HB   LEU 128          1HB       LEU 128  -7.519  -2.492  -3.094
 1011    HG   LEU 128           HG       LEU 128  -5.313  -3.286  -4.038
 1012   1HD1  LEU 128          1HD1      LEU 128  -4.393  -0.965  -2.741
 1013   2HD1  LEU 128          2HD1      LEU 128  -3.430  -2.210  -3.538
 1014   3HD1  LEU 128          3HD1      LEU 128  -3.771  -2.330  -1.814
 1015   1HD2  LEU 128          1HD2      LEU 128  -5.956  -4.803  -2.519
 1016   2HD2  LEU 128          2HD2      LEU 128  -6.418  -3.574  -1.341
 1017   3HD2  LEU 128          3HD2      LEU 128  -4.728  -4.060  -1.492
 1018    H    PHE 129           H        PHE 129  -9.120  -0.192  -4.329
 1019    HA   PHE 129           HA       PHE 129 -10.396  -2.308  -5.711
 1020   1HB   PHE 129          2HB       PHE 129 -11.687  -0.952  -4.220
 1021   2HB   PHE 129          1HB       PHE 129 -11.234   0.525  -5.058
 1022    HD1  PHE 129           1HD      PHE 129 -12.919   1.501  -6.241
 1023    HD2  PHE 129           2HD      PHE 129 -12.808  -2.744  -5.973
 1024    HE1  PHE 129           1HE      PHE 129 -14.974   1.366  -7.589
 1025    HE2  PHE 129           2HE      PHE 129 -14.858  -2.885  -7.324
 1026    HZ   PHE 129           HZ       PHE 129 -15.945  -0.830  -8.133
 1027    H    GLU 130           H        GLU 130  -8.518   0.264  -6.816
 1028    HA   GLU 130           HA       GLU 130  -9.728   0.205  -9.482
 1029   1HB   GLU 130          2HB       GLU 130  -9.466   2.419  -8.457
 1030   2HB   GLU 130          1HB       GLU 130  -7.734   2.151  -8.318
 1031   1HG   GLU 130          2HG       GLU 130  -7.529   2.068 -10.733
 1032   2HG   GLU 130          1HG       GLU 130  -9.274   2.261 -10.901
 1033    H    ILE 131           H        ILE 131  -6.798  -0.578  -7.737
 1034    HA   ILE 131           HA       ILE 131  -5.216  -0.894 -10.111
 1035    HB   ILE 131           HB       ILE 131  -3.470  -1.668  -8.709
 1036   1HG1  ILE 131          2HG1      ILE 131  -5.518  -2.008  -6.491
 1037   2HG1  ILE 131          1HG1      ILE 131  -4.764  -3.328  -7.378
 1038   1HG2  ILE 131          1HG2      ILE 131  -3.996   0.046  -6.651
 1039   2HG2  ILE 131          2HG2      ILE 131  -5.109   0.611  -7.897
 1040   3HG2  ILE 131          3HG2      ILE 131  -3.381   0.517  -8.236
 1041   1HD1  ILE 131          1HD1      ILE 131  -2.673  -1.757  -6.386
 1042   2HD1  ILE 131          2HD1      ILE 131  -3.172  -3.363  -5.859
 1043   3HD1  ILE 131          3HD1      ILE 131  -3.837  -1.931  -5.076
 1044    H    ALA 132           H        ALA 132  -7.251  -2.889  -8.151
 1045    HA   ALA 132           HA       ALA 132  -7.963  -4.741  -9.958
 1046   1HB   ALA 132          1HB       ALA 132  -6.261  -6.076 -10.455
 1047   2HB   ALA 132          2HB       ALA 132  -6.168  -6.564  -8.762
 1048   3HB   ALA 132          3HB       ALA 132  -5.218  -5.195  -9.339
 1049    HA   PRO 133           HA       PRO 133  -9.748  -5.627  -5.859
 1050   1HB   PRO 133          2HB       PRO 133 -12.220  -4.843  -6.298
 1051   2HB   PRO 133          1HB       PRO 133 -10.926  -3.635  -6.188
 1052   1HG   PRO 133          2HG       PRO 133 -12.289  -4.736  -8.616
 1053   2HG   PRO 133          1HG       PRO 133 -11.789  -3.070  -8.273
 1054   1HD   PRO 133          2HD       PRO 133 -10.349  -4.963  -9.776
 1055   2HD   PRO 133          1HD       PRO 133  -9.717  -3.431  -9.140
 1056    H    GLU 134           H        GLU 134  -9.908  -7.071  -8.811
 1057    HA   GLU 134           HA       GLU 134 -12.194  -8.764  -8.395
 1058   1HB   GLU 134          2HB       GLU 134 -11.457  -9.894 -10.446
 1059   2HB   GLU 134          1HB       GLU 134 -11.539  -8.150 -10.654
 1060   1HG   GLU 134          2HG       GLU 134  -9.120  -7.997 -10.391
 1061   2HG   GLU 134          1HG       GLU 134  -9.031  -9.742 -10.163
 1062    H    LEU 135           H        LEU 135  -9.680  -8.766  -6.532
 1063    HA   LEU 135           HA       LEU 135  -8.671 -11.413  -6.805
 1064   1HB   LEU 135          2HB       LEU 135  -7.865 -10.871  -4.469
 1065   2HB   LEU 135          1HB       LEU 135  -7.132 -10.020  -5.807
 1066    HG   LEU 135           HG       LEU 135  -9.212  -8.413  -4.934
 1067   1HD1  LEU 135          1HD1      LEU 135  -9.587  -9.719  -2.972
 1068   2HD1  LEU 135          2HD1      LEU 135  -8.690  -8.285  -2.471
 1069   3HD1  LEU 135          3HD1      LEU 135  -7.858  -9.831  -2.643
 1070   1HD2  LEU 135          1HD2      LEU 135  -6.257  -8.504  -4.524
 1071   2HD2  LEU 135          2HD2      LEU 135  -7.222  -7.212  -3.803
 1072   3HD2  LEU 135          3HD2      LEU 135  -7.205  -7.431  -5.554
 1073    H    VAL 136           H        VAL 136  -8.577 -12.709  -4.751
 1074    HA   VAL 136           HA       VAL 136 -11.015 -12.703  -3.189
 1075    HB   VAL 136           HB       VAL 136 -11.814 -14.051  -4.952
 1076   1HG1  VAL 136          1HG1      VAL 136  -9.819 -16.189  -4.863
 1077   2HG1  VAL 136          2HG1      VAL 136  -9.185 -14.655  -5.459
 1078   3HG1  VAL 136          3HG1      VAL 136 -10.574 -15.401  -6.249
 1079   1HG2  VAL 136          1HG2      VAL 136 -12.694 -15.529  -3.545
 1080   2HG2  VAL 136          2HG2      VAL 136 -11.485 -15.047  -2.354
 1081   3HG2  VAL 136          3HG2      VAL 136 -11.168 -16.407  -3.431
 1082    H    PHE 137           H        PHE 137 -10.355 -12.894  -1.127
 1083    HA   PHE 137           HA       PHE 137  -7.763 -13.740  -0.406
 1084   1HB   PHE 137          2HB       PHE 137 -10.282 -13.331   1.208
 1085   2HB   PHE 137          1HB       PHE 137  -8.761 -13.813   1.944
 1086    HD1  PHE 137           1HD      PHE 137  -9.538 -11.342  -0.725
 1087    HD2  PHE 137           2HD      PHE 137  -7.978 -12.018   3.175
 1088    HE1  PHE 137           1HE      PHE 137  -8.873  -8.977  -0.587
 1089    HE2  PHE 137           2HE      PHE 137  -7.314  -9.654   3.321
 1090    HZ   PHE 137           HZ       PHE 137  -7.766  -8.134   1.511
 1091    HA   PRO 138           HA       PRO 138  -7.928 -18.148  -0.198
 1092   1HB   PRO 138          2HB       PRO 138  -6.958 -18.498   2.411
 1093   2HB   PRO 138          1HB       PRO 138  -5.984 -18.440   0.941
 1094   1HG   PRO 138          2HG       PRO 138  -6.505 -16.325   2.958
 1095   2HG   PRO 138          1HG       PRO 138  -5.065 -16.604   1.961
 1096   1HD   PRO 138          2HD       PRO 138  -6.811 -14.615   1.447
 1097   2HD   PRO 138          1HD       PRO 138  -5.946 -15.472   0.154
 1098    H    ASP 139           H        ASP 139  -9.303 -16.126   2.226
 1099    HA   ASP 139           HA       ASP 139 -10.776 -18.024   3.709
 1100   1HB   ASP 139          2HB       ASP 139 -10.269 -15.607   4.333
 1101   2HB   ASP 139          1HB       ASP 139 -11.546 -15.145   3.217
 1102    H    GLY 140           H        GLY 140 -11.797 -15.765   1.157
 1103   1HA   GLY 140          2HA       GLY 140 -13.196 -17.275  -0.534
 1104   2HA   GLY 140          1HA       GLY 140 -14.309 -17.192   0.826
 1105    H    GLU 141           H        GLU 141 -12.918 -14.396   1.216
 1106    HA   GLU 141           HA       GLU 141 -14.975 -12.943  -0.210
 1107   1HB   GLU 141          2HB       GLU 141 -14.323 -11.051   1.044
 1108   2HB   GLU 141          1HB       GLU 141 -14.277 -12.417   2.148
 1109   1HG   GLU 141          2HG       GLU 141 -11.834 -12.536   1.817
 1110   2HG   GLU 141          1HG       GLU 141 -11.927 -11.095   0.814
 1111    H    MET 142           H        MET 142 -14.129 -10.704  -1.013
 1112    HA   MET 142           HA       MET 142 -11.762 -11.036  -2.716
 1113   1HB   MET 142          2HB       MET 142 -14.491 -10.194  -3.725
 1114   2HB   MET 142          1HB       MET 142 -13.024 -10.285  -4.687
 1115   1HG   MET 142          2HG       MET 142 -12.947 -12.686  -4.401
 1116   2HG   MET 142          1HG       MET 142 -14.358 -12.627  -3.349
 1117   1HE   MET 142          1HE       MET 142 -14.319 -10.521  -7.050
 1118   2HE   MET 142          2HE       MET 142 -14.038 -12.082  -7.819
 1119   3HE   MET 142          3HE       MET 142 -12.929 -11.497  -6.579
 1120    H    LEU 143           H        LEU 143 -10.810  -8.965  -3.470
 1121    HA   LEU 143           HA       LEU 143 -10.989  -6.864  -1.628
 1122   1HB   LEU 143          2HB       LEU 143  -9.218  -7.003  -3.333
 1123   2HB   LEU 143          1HB       LEU 143 -10.382  -6.613  -4.581
 1124    HG   LEU 143           HG       LEU 143 -10.587  -4.360  -3.813
 1125   1HD1  LEU 143          1HD1      LEU 143  -8.837  -3.966  -1.735
 1126   2HD1  LEU 143          2HD1      LEU 143  -9.603  -5.497  -1.310
 1127   3HD1  LEU 143          3HD1      LEU 143 -10.593  -4.064  -1.594
 1128   1HD2  LEU 143          1HD2      LEU 143  -7.788  -4.228  -3.362
 1129   2HD2  LEU 143          2HD2      LEU 143  -8.687  -3.858  -4.833
 1130   3HD2  LEU 143          3HD2      LEU 143  -8.100  -5.496  -4.547
 1131    H    ARG 144           H        ARG 144 -13.147  -7.822  -4.068
 1132    HA   ARG 144           HA       ARG 144 -14.587  -5.345  -4.298
 1133   1HB   ARG 144          2HB       ARG 144 -14.601  -6.778  -6.206
 1134   2HB   ARG 144          1HB       ARG 144 -15.107  -8.166  -5.248
 1135   1HG   ARG 144          2HG       ARG 144 -16.927  -7.270  -6.617
 1136   2HG   ARG 144          1HG       ARG 144 -17.284  -7.153  -4.894
 1137   1HD   ARG 144          2HD       ARG 144 -17.936  -5.108  -6.015
 1138   2HD   ARG 144          1HD       ARG 144 -16.587  -4.798  -4.925
 1139    HE   ARG 144           HE       ARG 144 -15.439  -4.049  -6.732
 1140   1HH1  ARG 144          1HH1      ARG 144 -17.766  -6.393  -7.855
 1141   2HH1  ARG 144          2HH1      ARG 144 -17.310  -6.233  -9.519
 1142   1HH2  ARG 144          1HH2      ARG 144 -14.839  -3.834  -8.914
 1143   2HH2  ARG 144          2HH2      ARG 144 -15.648  -4.778 -10.121
 1144    H    GLN 145           H        GLN 145 -15.152  -8.516  -2.795
 1145    HA   GLN 145           HA       GLN 145 -17.657  -7.958  -1.683
 1146   1HB   GLN 145          2HB       GLN 145 -16.884 -10.225  -1.836
 1147   2HB   GLN 145          1HB       GLN 145 -15.487  -9.878  -0.829
 1148   1HG   GLN 145          2HG       GLN 145 -18.237  -9.504   0.268
 1149   2HG   GLN 145          1HG       GLN 145 -17.542 -11.119   0.159
 1150   1HE2  GLN 145          1HE2      GLN 145 -14.924  -9.306   0.538
 1151   2HE2  GLN 145          2HE2      GLN 145 -14.792  -9.278   2.255
 1152    H    ILE 146           H        ILE 146 -14.403  -7.620  -0.266
 1153    HA   ILE 146           HA       ILE 146 -15.074  -6.852   2.288
 1154    HB   ILE 146           HB       ILE 146 -12.826  -5.722   0.620
 1155   1HG1  ILE 146          2HG1      ILE 146 -12.905  -8.095   2.498
 1156   2HG1  ILE 146          1HG1      ILE 146 -12.809  -8.179   0.742
 1157   1HG2  ILE 146          1HG2      ILE 146 -12.960  -5.926   3.618
 1158   2HG2  ILE 146          2HG2      ILE 146 -13.434  -4.478   2.733
 1159   3HG2  ILE 146          3HG2      ILE 146 -11.774  -5.065   2.637
 1160   1HD1  ILE 146          1HD1      ILE 146 -10.609  -8.062   0.838
 1161   2HD1  ILE 146          2HD1      ILE 146 -10.706  -8.051   2.598
 1162   3HD1  ILE 146          3HD1      ILE 146 -10.698  -6.529   1.705
 1163    H    LEU 147           H        LEU 147 -15.186  -4.930  -0.663
 1164    HA   LEU 147           HA       LEU 147 -15.656  -2.453   0.717
 1165   1HB   LEU 147          2HB       LEU 147 -15.911  -3.271  -2.174
 1166   2HB   LEU 147          1HB       LEU 147 -16.288  -1.655  -1.605
 1167    HG   LEU 147           HG       LEU 147 -13.588  -2.985  -1.358
 1168   1HD1  LEU 147          1HD1      LEU 147 -13.007  -2.130  -3.337
 1169   2HD1  LEU 147          2HD1      LEU 147 -13.842  -0.607  -3.025
 1170   3HD1  LEU 147          3HD1      LEU 147 -14.740  -1.996  -3.640
 1171   1HD2  LEU 147          1HD2      LEU 147 -13.143  -0.356  -1.041
 1172   2HD2  LEU 147          2HD2      LEU 147 -13.440  -1.457   0.304
 1173   3HD2  LEU 147          3HD2      LEU 147 -14.756  -0.471  -0.336
 1174    H    HIS 148           H        HIS 148 -17.591  -5.048  -0.536
 1175    HA   HIS 148           HA       HIS 148 -20.067  -3.708  -0.722
 1176   1HB   HIS 148          2HB       HIS 148 -19.686  -5.876  -1.781
 1177   2HB   HIS 148          1HB       HIS 148 -19.472  -6.630  -0.206
 1178    HD1  HIS 148           1HD      HIS 148 -22.223  -4.535  -1.824
 1179    HD2  HIS 148           2HD      HIS 148 -21.714  -7.938   0.505
 1180    HE1  HIS 148           1HE      HIS 148 -24.539  -5.434  -1.431
 1181    HE2  HIS 148           2HE      HIS 148 -24.209  -7.460   0.031
 1182    H    THR 149           H        THR 149 -18.288  -5.020   1.960
 1183    HA   THR 149           HA       THR 149 -20.595  -4.682   3.739
 1184    HB   THR 149           HB       THR 149 -17.889  -5.925   4.277
 1185    HG1  THR 149           1HG      THR 149 -20.324  -7.317   4.166
 1186   1HG2  THR 149          1HG2      THR 149 -20.059  -6.713   6.019
 1187   2HG2  THR 149          2HG2      THR 149 -19.685  -4.994   6.151
 1188   3HG2  THR 149          3HG2      THR 149 -18.420  -6.194   6.412
 1189    H    ARG 150           H        ARG 150 -17.339  -3.494   3.142
 1190    HA   ARG 150           HA       ARG 150 -17.365  -1.748   5.440
 1191   1HB   ARG 150          2HB       ARG 150 -15.449  -1.966   3.112
 1192   2HB   ARG 150          1HB       ARG 150 -15.218  -0.902   4.490
 1193   1HG   ARG 150          2HG       ARG 150 -15.394  -3.903   4.623
 1194   2HG   ARG 150          1HG       ARG 150 -13.905  -2.960   4.666
 1195   1HD   ARG 150          2HD       ARG 150 -14.603  -1.896   6.725
 1196   2HD   ARG 150          1HD       ARG 150 -16.152  -2.736   6.666
 1197    HE   ARG 150           HE       ARG 150 -14.111  -4.647   6.625
 1198   1HH1  ARG 150          1HH1      ARG 150 -15.467  -2.267   8.778
 1199   2HH1  ARG 150          2HH1      ARG 150 -15.047  -3.139  10.214
 1200   1HH2  ARG 150          1HH2      ARG 150 -13.558  -5.805   8.509
 1201   2HH2  ARG 150          2HH2      ARG 150 -13.961  -5.151  10.062
 1202    H    ALA 151           H        ALA 151 -17.123  -1.173   1.930
 1203    HA   ALA 151           HA       ALA 151 -17.894   0.496   0.597
 1204   1HB   ALA 151          1HB       ALA 151 -19.809   1.917   1.939
 1205   2HB   ALA 151          2HB       ALA 151 -19.885   0.343   2.733
 1206   3HB   ALA 151          3HB       ALA 151 -20.099   0.460   0.987
 1207    H    PHE 152           H        PHE 152 -15.576   1.101   1.635
 1208    HA   PHE 152           HA       PHE 152 -15.794   3.775   2.805
 1209   1HB   PHE 152          2HB       PHE 152 -13.575   1.737   2.806
 1210   2HB   PHE 152          1HB       PHE 152 -13.288   3.420   3.229
 1211    HD1  PHE 152           1HD      PHE 152 -12.781   3.366   5.485
 1212    HD2  PHE 152           2HD      PHE 152 -16.202   1.264   4.079
 1213    HE1  PHE 152           1HE      PHE 152 -13.443   2.900   7.808
 1214    HE2  PHE 152           2HE      PHE 152 -16.872   0.797   6.398
 1215    HZ   PHE 152           HZ       PHE 152 -15.493   1.616   8.268
 1216    H    ASP 153           H        ASP 153 -16.465   4.094   0.362
 1217    HA   ASP 153           HA       ASP 153 -14.310   4.318  -1.516
 1218   1HB   ASP 153          2HB       ASP 153 -17.100   5.498  -1.577
 1219   2HB   ASP 153          1HB       ASP 153 -15.977   5.480  -2.932
 1220    H    LYS 154           H        LYS 154 -14.203   5.682   1.120
 1221    HA   LYS 154           HA       LYS 154 -14.453   8.447   0.926
 1222   1HB   LYS 154          2HB       LYS 154 -12.658   6.702   2.611
 1223   2HB   LYS 154          1HB       LYS 154 -12.862   8.432   2.869
 1224   1HG   LYS 154          2HG       LYS 154 -15.298   8.018   3.198
 1225   2HG   LYS 154          1HG       LYS 154 -14.961   6.289   3.107
 1226   1HD   LYS 154          2HD       LYS 154 -13.779   8.201   5.120
 1227   2HD   LYS 154          1HD       LYS 154 -15.100   7.074   5.429
 1228   1HE   LYS 154          2HE       LYS 154 -13.618   5.195   4.938
 1229   2HE   LYS 154          1HE       LYS 154 -12.299   6.315   4.596
 1230   1HZ   LYS 154          1HZ       LYS 154 -11.834   6.463   6.744
 1231   2HZ   LYS 154          2HZ       LYS 154 -12.931   5.208   7.031
 1232   3HZ   LYS 154          3HZ       LYS 154 -13.437   6.818   7.152
 1233    H    LEU 155           H        LEU 155 -11.693   8.995   1.933
 1234    HA   LEU 155           HA       LEU 155  -9.753   9.876   1.168
 1235   1HB   LEU 155          2HB       LEU 155  -9.994   7.702  -0.908
 1236   2HB   LEU 155          1HB       LEU 155  -8.556   8.657  -0.615
 1237    HG   LEU 155           HG       LEU 155  -9.784   6.571   1.175
 1238   1HD1  LEU 155          1HD1      LEU 155  -7.095   6.133   0.936
 1239   2HD1  LEU 155          2HD1      LEU 155  -7.525   6.752  -0.658
 1240   3HD1  LEU 155          3HD1      LEU 155  -8.353   5.335  -0.007
 1241   1HD2  LEU 155          1HD2      LEU 155  -8.514   7.203   2.965
 1242   2HD2  LEU 155          2HD2      LEU 155  -8.921   8.783   2.296
 1243   3HD2  LEU 155          3HD2      LEU 155  -7.341   8.068   1.970
 1244    H    ASN 156           H        ASN 156 -10.530  11.888   0.551
 1245    HA   ASN 156           HA       ASN 156 -11.663  12.312  -2.063
 1246   1HB   ASN 156          2HB       ASN 156 -12.451  13.751  -0.337
 1247   2HB   ASN 156          1HB       ASN 156 -10.815  14.187   0.141
 1248   1HD2  ASN 156          1HD2      ASN 156 -10.228  16.119  -0.465
 1249   2HD2  ASN 156          2HD2      ASN 156 -10.763  16.959  -1.876
 1250    H    LYS 157           H        LYS 157 -10.595  12.689  -3.862
 1251    HA   LYS 157           HA       LYS 157  -7.896  12.388  -4.213
 1252   1HB   LYS 157          2HB       LYS 157  -9.907  13.885  -5.877
 1253   2HB   LYS 157          1HB       LYS 157  -8.238  13.681  -6.387
 1254   1HG   LYS 157          2HG       LYS 157  -8.487  11.279  -6.378
 1255   2HG   LYS 157          1HG       LYS 157 -10.132  11.428  -5.760
 1256   1HD   LYS 157          2HD       LYS 157 -10.778  12.628  -7.800
 1257   2HD   LYS 157          1HD       LYS 157  -9.134  12.452  -8.416
 1258   1HE   LYS 157          2HE       LYS 157  -9.376  10.018  -8.363
 1259   2HE   LYS 157          1HE       LYS 157 -11.019  10.195  -7.744
 1260   1HZ   LYS 157          1HZ       LYS 157  -9.983  10.721 -10.435
 1261   2HZ   LYS 157          2HZ       LYS 157 -11.300  11.629  -9.886
 1262   3HZ   LYS 157          3HZ       LYS 157 -11.409   9.945  -9.965
 1263    H    TRP 158           H        TRP 158  -6.124  13.659  -4.423
 1264    HA   TRP 158           HA       TRP 158  -5.586  15.700  -2.742
 1265   1HB   TRP 158          2HB       TRP 158  -3.934  14.476  -4.153
 1266   2HB   TRP 158          1HB       TRP 158  -4.438  15.446  -5.530
 1267    HD1  TRP 158           HD       TRP 158  -2.903  17.427  -5.986
 1268    HE1  TRP 158           1HE      TRP 158  -1.303  18.889  -4.600
 1269    HE3  TRP 158           3HE      TRP 158  -3.701  15.359  -1.378
 1270    HZ2  TRP 158           2HZ      TRP 158  -0.482  19.129  -1.911
 1271    HZ3  TRP 158           3HZ      TRP 158  -2.464  16.262   0.548
 1272    HH2  TRP 158           HH       TRP 158  -0.887  18.108   0.285
  Start of MODEL    4
    1   1H    THR   1          1HT       THR   1   2.446 -12.979 -10.483
    2   2H    THR   1          2HT       THR   1   0.871 -13.142 -11.076
    3   3H    THR   1          3HT       THR   1   1.597 -14.425 -10.249
    4    HA   THR   1           HA       THR   1  -0.058 -13.180  -8.916
    5    HB   THR   1           HB       THR   1   2.819 -13.153  -7.959
    6    HG1  THR   1           1HG      THR   1   2.495 -15.238  -7.415
    7   1HG2  THR   1          1HG2      THR   1   0.256 -12.786  -6.545
    8   2HG2  THR   1          2HG2      THR   1   1.866 -12.177  -6.165
    9   3HG2  THR   1          3HG2      THR   1   1.445 -13.848  -5.792
   10    H    VAL   2           H        VAL   2  -0.447 -11.280  -7.627
   11    HA   VAL   2           HA       VAL   2   0.901  -8.876  -8.672
   12    HB   VAL   2           HB       VAL   2  -1.993  -9.152  -7.856
   13   1HG1  VAL   2          1HG1      VAL   2  -0.796  -6.966  -7.295
   14   2HG1  VAL   2          2HG1      VAL   2  -2.277  -6.861  -8.246
   15   3HG1  VAL   2          3HG1      VAL   2  -0.707  -6.712  -9.038
   16   1HG2  VAL   2          1HG2      VAL   2  -2.228  -9.832  -9.969
   17   2HG2  VAL   2          2HG2      VAL   2  -0.591  -9.332 -10.402
   18   3HG2  VAL   2          3HG2      VAL   2  -1.903  -8.154 -10.403
   19    H    ALA   3           H        ALA   3   1.392  -7.237  -7.258
   20    HA   ALA   3           HA       ALA   3   1.192  -7.931  -4.410
   21   1HB   ALA   3          1HB       ALA   3   3.053  -5.806  -4.951
   22   2HB   ALA   3          2HB       ALA   3   3.406  -7.212  -5.955
   23   3HB   ALA   3          3HB       ALA   3   3.331  -7.377  -4.201
   24    H    TYR   4           H        TYR   4  -0.653  -7.006  -3.731
   25    HA   TYR   4           HA       TYR   4  -1.533  -4.396  -4.584
   26   1HB   TYR   4          2HB       TYR   4  -2.486  -6.187  -2.339
   27   2HB   TYR   4          1HB       TYR   4  -3.288  -4.717  -2.865
   28    HD1  TYR   4           1HD      TYR   4  -1.754  -7.267  -5.062
   29    HD2  TYR   4           2HD      TYR   4  -5.382  -5.611  -3.591
   30    HE1  TYR   4           1HE      TYR   4  -3.012  -8.560  -6.720
   31    HE2  TYR   4           2HE      TYR   4  -6.651  -6.905  -5.247
   32    HH   TYR   4           HH       TYR   4  -5.021  -8.845  -7.698
   33    H    ILE   5           H        ILE   5   0.203  -3.007  -4.024
   34    HA   ILE   5           HA       ILE   5   0.920  -2.828  -1.187
   35    HB   ILE   5           HB       ILE   5   2.224  -1.302  -3.426
   36   1HG1  ILE   5          2HG1      ILE   5   2.969  -4.075  -2.465
   37   2HG1  ILE   5          1HG1      ILE   5   2.154  -3.729  -3.987
   38   1HG2  ILE   5          1HG2      ILE   5   4.182  -1.461  -1.894
   39   2HG2  ILE   5          2HG2      ILE   5   3.128  -2.220  -0.699
   40   3HG2  ILE   5          3HG2      ILE   5   2.820  -0.563  -1.223
   41   1HD1  ILE   5          1HD1      ILE   5   4.705  -2.326  -3.478
   42   2HD1  ILE   5          2HD1      ILE   5   4.038  -2.970  -4.978
   43   3HD1  ILE   5          3HD1      ILE   5   4.777  -4.058  -3.802
   44    H    ALA   6           H        ALA   6   1.213  -0.709  -0.221
   45    HA   ALA   6           HA       ALA   6  -0.563   1.372  -1.312
   46   1HB   ALA   6          1HB       ALA   6  -1.897   0.534   0.398
   47   2HB   ALA   6          2HB       ALA   6  -1.059   1.876   1.174
   48   3HB   ALA   6          3HB       ALA   6  -0.518   0.221   1.452
   49    H    ILE   7           H        ILE   7   0.530   3.196  -1.631
   50    HA   ILE   7           HA       ILE   7   3.017   3.631  -0.127
   51    HB   ILE   7           HB       ILE   7   2.084   5.017  -2.642
   52   1HG1  ILE   7          2HG1      ILE   7   4.196   2.869  -2.403
   53   2HG1  ILE   7          1HG1      ILE   7   2.520   2.504  -2.794
   54   1HG2  ILE   7          1HG2      ILE   7   3.809   6.390  -2.339
   55   2HG2  ILE   7          2HG2      ILE   7   4.912   5.020  -2.250
   56   3HG2  ILE   7          3HG2      ILE   7   4.135   5.621  -0.784
   57   1HD1  ILE   7          1HD1      ILE   7   4.639   3.392  -4.500
   58   2HD1  ILE   7          2HD1      ILE   7   3.285   4.521  -4.569
   59   3HD1  ILE   7          3HD1      ILE   7   3.028   2.809  -4.918
   60    H    GLY   8           H        GLY   8   3.481   5.694   0.803
   61   1HA   GLY   8          2HA       GLY   8   1.208   7.537   0.969
   62   2HA   GLY   8          1HA       GLY   8   1.855   6.886   2.463
   63    H    SER   9           H        SER   9   1.721   9.568   2.005
   64    HA   SER   9           HA       SER   9   4.411  10.372   2.449
   65   1HB   SER   9          2HB       SER   9   4.520  11.968   0.518
   66   2HB   SER   9          1HB       SER   9   4.577  10.270   0.039
   67    HG   SER   9           HG       SER   9   2.118  11.628   0.156
   68    H    ASN  10           H        ASN  10   4.470  12.313   3.547
   69    HA   ASN  10           HA       ASN  10   2.018  13.921   3.617
   70   1HB   ASN  10          2HB       ASN  10   3.392  13.029   6.146
   71   2HB   ASN  10          1HB       ASN  10   1.861  13.875   5.994
   72   1HD2  ASN  10          1HD2      ASN  10   0.298  12.633   6.585
   73   2HD2  ASN  10          2HD2      ASN  10   0.129  10.950   6.227
   74    H    LEU  11           H        LEU  11   4.847  13.749   5.681
   75    HA   LEU  11           HA       LEU  11   5.221  16.607   5.446
   76   1HB   LEU  11          2HB       LEU  11   6.613  16.364   7.409
   77   2HB   LEU  11          1HB       LEU  11   5.076  15.546   7.630
   78    HG   LEU  11           HG       LEU  11   6.441  13.430   6.892
   79   1HD1  LEU  11          1HD1      LEU  11   8.749  13.764   8.119
   80   2HD1  LEU  11          2HD1      LEU  11   8.529  15.431   7.588
   81   3HD1  LEU  11          3HD1      LEU  11   8.563  14.126   6.403
   82   1HD2  LEU  11          1HD2      LEU  11   6.468  12.827   9.108
   83   2HD2  LEU  11          2HD2      LEU  11   5.342  14.184   9.140
   84   3HD2  LEU  11          3HD2      LEU  11   7.014  14.415   9.646
   85    H    ALA  12           H        ALA  12   6.113  14.712   3.259
   86    HA   ALA  12           HA       ALA  12   8.701  15.965   2.887
   87   1HB   ALA  12          1HB       ALA  12   8.701  13.474   4.010
   88   2HB   ALA  12          2HB       ALA  12  10.037  14.189   3.107
   89   3HB   ALA  12          3HB       ALA  12   8.897  13.115   2.294
   90    H    SER  13           H        SER  13   6.989  16.875   1.331
   91    HA   SER  13           HA       SER  13   6.177  17.107  -0.785
   92   1HB   SER  13          2HB       SER  13   8.502  15.284  -1.453
   93   2HB   SER  13          1HB       SER  13   7.616  16.282  -2.606
   94    HG   SER  13           HG       SER  13   8.578  17.650  -0.424
   95    HA   PRO  14           HA       PRO  14   3.643  13.241  -0.219
   96   1HB   PRO  14          2HB       PRO  14   1.830  15.210  -1.556
   97   2HB   PRO  14          1HB       PRO  14   1.485  14.056  -0.261
   98   1HG   PRO  14          2HG       PRO  14   1.830  16.621   0.304
   99   2HG   PRO  14          1HG       PRO  14   2.512  15.371   1.360
  100   1HD   PRO  14          2HD       PRO  14   3.877  17.138  -0.614
  101   2HD   PRO  14          1HD       PRO  14   4.465  16.511   0.938
  102    H    LEU  15           H        LEU  15   4.139  15.321  -3.042
  103    HA   LEU  15           HA       LEU  15   3.171  13.300  -4.872
  104   1HB   LEU  15          2HB       LEU  15   2.736  15.647  -5.328
  105   2HB   LEU  15          1HB       LEU  15   4.455  15.980  -5.372
  106    HG   LEU  15           HG       LEU  15   4.667  14.530  -7.366
  107   1HD1  LEU  15          1HD1      LEU  15   2.217  13.531  -6.581
  108   2HD1  LEU  15          2HD1      LEU  15   3.033  13.215  -8.113
  109   3HD1  LEU  15          3HD1      LEU  15   1.836  14.505  -8.001
  110   1HD2  LEU  15          1HD2      LEU  15   4.423  16.417  -8.500
  111   2HD2  LEU  15          2HD2      LEU  15   3.470  17.090  -7.176
  112   3HD2  LEU  15          3HD2      LEU  15   2.670  16.215  -8.482
  113    H    GLU  16           H        GLU  16   6.296  14.550  -3.825
  114    HA   GLU  16           HA       GLU  16   7.803  13.273  -5.865
  115   1HB   GLU  16          2HB       GLU  16   8.510  14.486  -3.214
  116   2HB   GLU  16          1HB       GLU  16   9.725  13.758  -4.259
  117   1HG   GLU  16          2HG       GLU  16   7.882  15.964  -5.124
  118   2HG   GLU  16          1HG       GLU  16   9.487  16.244  -4.446
  119    H    GLN  17           H        GLN  17   6.673  12.257  -2.714
  120    HA   GLN  17           HA       GLN  17   8.445  10.040  -2.462
  121   1HB   GLN  17          2HB       GLN  17   5.757  10.491  -1.162
  122   2HB   GLN  17          1HB       GLN  17   6.948   9.299  -0.668
  123   1HG   GLN  17          2HG       GLN  17   7.292  12.285  -0.589
  124   2HG   GLN  17          1HG       GLN  17   6.976  11.234   0.791
  125   1HE2  GLN  17          1HE2      GLN  17   8.675  10.676   1.926
  126   2HE2  GLN  17          2HE2      GLN  17  10.308  10.614   1.366
  127    H    VAL  18           H        VAL  18   5.536  10.578  -4.217
  128    HA   VAL  18           HA       VAL  18   4.882   7.767  -4.448
  129    HB   VAL  18           HB       VAL  18   3.692  10.117  -5.926
  130   1HG1  VAL  18          1HG1      VAL  18   1.785   8.138  -5.708
  131   2HG1  VAL  18          2HG1      VAL  18   3.265   7.242  -6.053
  132   3HG1  VAL  18          3HG1      VAL  18   2.728   8.515  -7.149
  133   1HG2  VAL  18          1HG2      VAL  18   3.357   9.154  -3.197
  134   2HG2  VAL  18          2HG2      VAL  18   1.839   9.256  -4.086
  135   3HG2  VAL  18          3HG2      VAL  18   2.865  10.680  -3.928
  136    H    ASN  19           H        ASN  19   6.521  10.219  -6.368
  137    HA   ASN  19           HA       ASN  19   6.454   8.925  -8.844
  138   1HB   ASN  19          2HB       ASN  19   8.572  10.738  -7.675
  139   2HB   ASN  19          1HB       ASN  19   8.529  10.226  -9.361
  140   1HD2  ASN  19          1HD2      ASN  19   7.971  12.769  -7.570
  141   2HD2  ASN  19          2HD2      ASN  19   6.618  13.476  -8.379
  142    H    ALA  20           H        ALA  20   9.100   8.836  -6.434
  143    HA   ALA  20           HA       ALA  20  10.479   6.758  -7.821
  144   1HB   ALA  20          1HB       ALA  20  11.336   8.560  -6.102
  145   2HB   ALA  20          2HB       ALA  20  12.136   6.998  -6.272
  146   3HB   ALA  20          3HB       ALA  20  11.010   7.271  -4.943
  147    H    ALA  21           H        ALA  21   7.907   6.786  -5.551
  148    HA   ALA  21           HA       ALA  21   8.321   4.254  -4.344
  149   1HB   ALA  21          1HB       ALA  21   6.871   5.940  -3.364
  150   2HB   ALA  21          2HB       ALA  21   5.993   4.433  -3.638
  151   3HB   ALA  21          3HB       ALA  21   5.763   5.797  -4.731
  152    H    LEU  22           H        LEU  22   6.224   5.250  -7.064
  153    HA   LEU  22           HA       LEU  22   5.578   2.486  -7.616
  154   1HB   LEU  22          2HB       LEU  22   4.207   3.418  -9.458
  155   2HB   LEU  22          1HB       LEU  22   3.800   4.042  -7.874
  156    HG   LEU  22           HG       LEU  22   5.281   6.055  -8.499
  157   1HD1  LEU  22          1HD1      LEU  22   5.593   4.489 -10.841
  158   2HD1  LEU  22          2HD1      LEU  22   6.268   6.076 -10.477
  159   3HD1  LEU  22          3HD1      LEU  22   4.697   5.946 -11.269
  160   1HD2  LEU  22          1HD2      LEU  22   2.603   5.447  -9.712
  161   2HD2  LEU  22          2HD2      LEU  22   3.370   7.027  -9.870
  162   3HD2  LEU  22          3HD2      LEU  22   2.971   6.397  -8.272
  163    H    LYS  23           H        LYS  23   7.788   4.887  -8.848
  164    HA   LYS  23           HA       LYS  23   8.273   3.567 -11.336
  165   1HB   LYS  23          2HB       LYS  23   9.775   5.704  -9.839
  166   2HB   LYS  23          1HB       LYS  23  10.348   5.045 -11.365
  167   1HG   LYS  23          2HG       LYS  23   7.705   6.422 -10.930
  168   2HG   LYS  23          1HG       LYS  23   9.134   7.136 -11.680
  169   1HD   LYS  23          2HD       LYS  23   9.038   5.448 -13.456
  170   2HD   LYS  23          1HD       LYS  23   7.603   4.747 -12.707
  171   1HE   LYS  23          2HE       LYS  23   6.974   6.187 -14.559
  172   2HE   LYS  23          1HE       LYS  23   6.409   6.864 -13.034
  173   1HZ   LYS  23          1HZ       LYS  23   7.762   8.244 -14.883
  174   2HZ   LYS  23          2HZ       LYS  23   9.030   7.761 -13.874
  175   3HZ   LYS  23          3HZ       LYS  23   7.733   8.645 -13.240
  176    H    ALA  24           H        ALA  24   9.811   3.470  -8.162
  177    HA   ALA  24           HA       ALA  24  12.086   1.994  -8.939
  178   1HB   ALA  24          1HB       ALA  24  12.302   3.024  -6.878
  179   2HB   ALA  24          2HB       ALA  24  12.062   1.333  -6.438
  180   3HB   ALA  24          3HB       ALA  24  10.721   2.473  -6.323
  181    H    LEU  25           H        LEU  25   8.801   1.051  -8.379
  182    HA   LEU  25           HA       LEU  25   9.263  -1.688  -7.786
  183   1HB   LEU  25          2HB       LEU  25   6.837  -0.389  -9.043
  184   2HB   LEU  25          1HB       LEU  25   6.888  -1.996  -8.347
  185    HG   LEU  25           HG       LEU  25   7.275   0.583  -6.821
  186   1HD1  LEU  25          1HD1      LEU  25   5.091  -0.329  -5.747
  187   2HD1  LEU  25          2HD1      LEU  25   4.925  -1.204  -7.269
  188   3HD1  LEU  25          3HD1      LEU  25   5.015   0.558  -7.270
  189   1HD2  LEU  25          1HD2      LEU  25   7.035  -0.934  -4.841
  190   2HD2  LEU  25          2HD2      LEU  25   8.531  -1.131  -5.750
  191   3HD2  LEU  25          3HD2      LEU  25   7.223  -2.296  -5.944
  192    H    GLY  26           H        GLY  26   8.842   0.130 -10.773
  193   1HA   GLY  26          2HA       GLY  26   8.602  -2.100 -12.506
  194   2HA   GLY  26          1HA       GLY  26   9.082  -0.476 -12.977
  195    H    ASP  27           H        ASP  27  11.235  -0.892 -10.752
  196    HA   ASP  27           HA       ASP  27  13.180  -2.137 -12.565
  197   1HB   ASP  27          2HB       ASP  27  13.632   0.196 -11.884
  198   2HB   ASP  27          1HB       ASP  27  13.648  -0.309 -10.197
  199    H    ILE  28           H        ILE  28  11.670  -2.418  -9.458
  200    HA   ILE  28           HA       ILE  28  13.439  -3.961  -8.022
  201    HB   ILE  28           HB       ILE  28  10.431  -4.052  -8.127
  202   1HG1  ILE  28          2HG1      ILE  28  12.394  -3.001  -6.074
  203   2HG1  ILE  28          1HG1      ILE  28  11.459  -2.024  -7.199
  204   1HG2  ILE  28          1HG2      ILE  28  11.893  -6.188  -7.273
  205   2HG2  ILE  28          2HG2      ILE  28  10.273  -5.778  -6.710
  206   3HG2  ILE  28          3HG2      ILE  28  11.684  -5.270  -5.780
  207   1HD1  ILE  28          1HD1      ILE  28  10.672  -3.273  -4.670
  208   2HD1  ILE  28          2HD1      ILE  28   9.487  -3.397  -5.971
  209   3HD1  ILE  28          3HD1      ILE  28  10.073  -1.814  -5.457
  210    HA   PRO  29           HA       PRO  29  14.173  -7.677 -10.278
  211   1HB   PRO  29          2HB       PRO  29  14.406  -9.376  -8.094
  212   2HB   PRO  29          1HB       PRO  29  15.706  -8.380  -8.755
  213   1HG   PRO  29          2HG       PRO  29  13.900  -7.845  -6.432
  214   2HG   PRO  29          1HG       PRO  29  15.639  -7.532  -6.597
  215   1HD   PRO  29          2HD       PRO  29  13.866  -5.549  -6.832
  216   2HD   PRO  29          1HD       PRO  29  15.293  -5.628  -7.892
  217    H    GLU  30           H        GLU  30  13.023  -9.339 -11.108
  218    HA   GLU  30           HA       GLU  30  11.116 -10.451 -11.688
  219   1HB   GLU  30          2HB       GLU  30  11.393 -11.152  -8.768
  220   2HB   GLU  30          1HB       GLU  30  10.246 -11.940  -9.842
  221   1HG   GLU  30          2HG       GLU  30  12.021 -13.388  -9.906
  222   2HG   GLU  30          1HG       GLU  30  12.310 -12.374 -11.318
  223    H    SER  31           H        SER  31  10.645  -7.751 -11.117
  224    HA   SER  31           HA       SER  31   7.830  -7.903 -10.313
  225   1HB   SER  31          2HB       SER  31   8.893  -7.075  -8.337
  226   2HB   SER  31          1HB       SER  31   9.855  -5.926  -9.266
  227    HG   SER  31           HG       SER  31   7.128  -5.711  -9.592
  228    H    HIS  32           H        HIS  32   6.493  -6.220 -11.143
  229    HA   HIS  32           HA       HIS  32   7.495  -4.235 -12.937
  230   1HB   HIS  32          2HB       HIS  32   7.755  -6.390 -14.241
  231   2HB   HIS  32          1HB       HIS  32   6.005  -6.510 -14.241
  232    HD1  HIS  32           1HD      HIS  32   4.893  -4.046 -15.163
  233    HD2  HIS  32           2HD      HIS  32   8.622  -5.258 -16.536
  234    HE1  HIS  32           1HE      HIS  32   5.260  -2.788 -17.309
  235    HE2  HIS  32           2HE      HIS  32   7.561  -3.472 -18.076
  236    H    ILE  33           H        ILE  33   6.048  -2.605 -12.780
  237    HA   ILE  33           HA       ILE  33   3.448  -3.093 -11.688
  238    HB   ILE  33           HB       ILE  33   4.864  -0.620 -12.610
  239   1HG1  ILE  33          2HG1      ILE  33   3.658  -1.561 -10.004
  240   2HG1  ILE  33          1HG1      ILE  33   5.372  -1.454 -10.396
  241   1HG2  ILE  33          1HG2      ILE  33   2.863   0.697 -11.991
  242   2HG2  ILE  33          2HG2      ILE  33   1.946  -0.803 -11.852
  243   3HG2  ILE  33          3HG2      ILE  33   2.602  -0.312 -13.414
  244   1HD1  ILE  33          1HD1      ILE  33   5.084   1.012 -10.623
  245   2HD1  ILE  33          2HD1      ILE  33   4.815   0.384  -8.997
  246   3HD1  ILE  33          3HD1      ILE  33   3.441   0.817 -10.013
  247    H    LEU  34           H        LEU  34   1.537  -3.237 -12.627
  248    HA   LEU  34           HA       LEU  34   1.432  -3.110 -15.563
  249   1HB   LEU  34          2HB       LEU  34   0.973  -5.315 -14.630
  250   2HB   LEU  34          1HB       LEU  34  -0.280  -4.643 -13.599
  251    HG   LEU  34           HG       LEU  34  -1.585  -4.049 -15.622
  252   1HD1  LEU  34          1HD1      LEU  34  -0.780  -5.384 -17.717
  253   2HD1  LEU  34          2HD1      LEU  34   0.808  -5.212 -16.968
  254   3HD1  LEU  34          3HD1      LEU  34  -0.131  -3.778 -17.381
  255   1HD2  LEU  34          1HD2      LEU  34  -2.572  -5.993 -15.215
  256   2HD2  LEU  34          2HD2      LEU  34  -1.072  -6.651 -14.561
  257   3HD2  LEU  34          3HD2      LEU  34  -1.416  -6.783 -16.285
  258    H    THR  35           H        THR  35  -0.711  -2.648 -12.742
  259    HA   THR  35           HA       THR  35  -1.989  -0.428 -14.200
  260    HB   THR  35           HB       THR  35  -3.996  -0.870 -12.821
  261    HG1  THR  35           1HG      THR  35  -3.397  -3.343 -12.019
  262   1HG2  THR  35          1HG2      THR  35  -4.667  -3.021 -13.794
  263   2HG2  THR  35          2HG2      THR  35  -3.006  -3.278 -14.325
  264   3HG2  THR  35          3HG2      THR  35  -3.943  -1.935 -14.977
  265    H    VAL  36           H        VAL  36  -2.359   1.499 -13.130
  266    HA   VAL  36           HA       VAL  36  -1.320   1.744 -10.396
  267    HB   VAL  36           HB       VAL  36   0.504   2.456 -11.787
  268   1HG1  VAL  36          1HG1      VAL  36  -1.206   2.995 -13.711
  269   2HG1  VAL  36          2HG1      VAL  36   0.364   3.797 -13.635
  270   3HG1  VAL  36          3HG1      VAL  36  -1.080   4.628 -13.059
  271   1HG2  VAL  36          1HG2      VAL  36   0.974   4.301 -10.589
  272   2HG2  VAL  36          2HG2      VAL  36  -0.576   3.977  -9.810
  273   3HG2  VAL  36          3HG2      VAL  36  -0.478   5.144 -11.129
  274    H    SER  37           H        SER  37  -2.431   3.102  -9.094
  275    HA   SER  37           HA       SER  37  -4.947   4.130 -10.070
  276   1HB   SER  37          2HB       SER  37  -5.410   4.647  -7.723
  277   2HB   SER  37          1HB       SER  37  -4.788   3.003  -7.869
  278    HG   SER  37           HG       SER  37  -3.053   5.160  -7.348
  279    H    SER  38           H        SER  38  -5.399   6.392  -8.643
  280    HA   SER  38           HA       SER  38  -3.474   8.278  -9.820
  281   1HB   SER  38          2HB       SER  38  -6.355   8.732  -8.996
  282   2HB   SER  38          1HB       SER  38  -5.300   9.926  -9.755
  283    HG   SER  38           HG       SER  38  -5.126   8.035 -11.402
  284    H    PHE  39           H        PHE  39  -4.057  10.555  -8.423
  285    HA   PHE  39           HA       PHE  39  -2.892   9.938  -5.836
  286   1HB   PHE  39          2HB       PHE  39  -2.746  12.524  -5.742
  287   2HB   PHE  39          1HB       PHE  39  -1.688  11.658  -6.848
  288    HD1  PHE  39           1HD      PHE  39  -1.465  12.502  -8.955
  289    HD2  PHE  39           2HD      PHE  39  -5.095  13.206  -6.853
  290    HE1  PHE  39           1HE      PHE  39  -2.273  13.884 -10.822
  291    HE2  PHE  39           2HE      PHE  39  -5.914  14.583  -8.719
  292    HZ   PHE  39           HZ       PHE  39  -4.501  14.925 -10.708
  293    H    TYR  40           H        TYR  40  -3.923  10.101  -3.945
  294    HA   TYR  40           HA       TYR  40  -6.537  11.439  -3.893
  295   1HB   TYR  40          2HB       TYR  40  -5.949   8.717  -2.708
  296   2HB   TYR  40          1HB       TYR  40  -7.456   9.607  -2.527
  297    HD1  TYR  40           1HD      TYR  40  -5.257   7.975  -5.029
  298    HD2  TYR  40           2HD      TYR  40  -9.157   9.441  -4.153
  299    HE1  TYR  40           1HE      TYR  40  -6.104   6.944  -7.094
  300    HE2  TYR  40           2HE      TYR  40 -10.013   8.404  -6.212
  301    HH   TYR  40           HH       TYR  40  -8.212   6.152  -8.025
  302    H    ARG  41           H        ARG  41  -7.040  12.499  -2.029
  303    HA   ARG  41           HA       ARG  41  -4.892  12.691  -0.042
  304   1HB   ARG  41          2HB       ARG  41  -5.900  14.733  -1.323
  305   2HB   ARG  41          1HB       ARG  41  -7.233  14.566  -0.188
  306   1HG   ARG  41          2HG       ARG  41  -5.460  14.676   1.651
  307   2HG   ARG  41          1HG       ARG  41  -4.368  15.228   0.379
  308   1HD   ARG  41          2HD       ARG  41  -5.862  17.084  -0.123
  309   2HD   ARG  41          1HD       ARG  41  -6.986  16.529   1.112
  310    HE   ARG  41           HE       ARG  41  -4.486  16.914   2.305
  311   1HH1  ARG  41          1HH1      ARG  41  -7.037  18.773   0.828
  312   2HH1  ARG  41          2HH1      ARG  41  -6.720  20.194   1.766
  313   1HH2  ARG  41          1HH2      ARG  41  -4.066  18.779   3.548
  314   2HH2  ARG  41          2HH2      ARG  41  -5.033  20.197   3.314
  315    H    THR  42           H        THR  42  -5.324  12.328   2.149
  316    HA   THR  42           HA       THR  42  -7.977  11.987   3.158
  317    HB   THR  42           HB       THR  42  -7.733   9.886   1.875
  318    HG1  THR  42           1HG      THR  42  -8.288   8.512   3.590
  319   1HG2  THR  42          1HG2      THR  42  -6.031   8.409   3.558
  320   2HG2  THR  42          2HG2      THR  42  -5.140   9.839   3.035
  321   3HG2  THR  42          3HG2      THR  42  -5.845   8.751   1.839
  322    HA   PRO  43           HA       PRO  43  -6.058  12.871   7.042
  323   1HB   PRO  43          2HB       PRO  43  -7.356  10.944   8.617
  324   2HB   PRO  43          1HB       PRO  43  -7.915  12.590   8.315
  325   1HG   PRO  43          2HG       PRO  43  -8.724  10.042   7.000
  326   2HG   PRO  43          1HG       PRO  43  -9.702  11.470   7.386
  327   1HD   PRO  43          2HD       PRO  43  -8.902  10.974   4.883
  328   2HD   PRO  43          1HD       PRO  43  -8.957  12.636   5.514
  329    HA   PRO  44           HA       PRO  44  -2.741   9.824   6.571
  330   1HB   PRO  44          2HB       PRO  44  -1.685  11.497   8.785
  331   2HB   PRO  44          1HB       PRO  44  -0.892  10.954   7.298
  332   1HG   PRO  44          2HG       PRO  44  -1.743  13.465   7.551
  333   2HG   PRO  44          1HG       PRO  44  -1.887  12.599   6.012
  334   1HD   PRO  44          2HD       PRO  44  -3.983  13.256   8.023
  335   2HD   PRO  44          1HD       PRO  44  -4.099  13.165   6.253
  336    H    LEU  45           H        LEU  45  -3.893  10.912   9.758
  337    HA   LEU  45           HA       LEU  45  -4.344   9.776  11.671
  338   1HB   LEU  45          2HB       LEU  45  -4.266   7.355   9.861
  339   2HB   LEU  45          1HB       LEU  45  -4.805   7.334  11.529
  340    HG   LEU  45           HG       LEU  45  -6.124   8.891   9.299
  341   1HD1  LEU  45          1HD1      LEU  45  -6.504   6.165  10.375
  342   2HD1  LEU  45          2HD1      LEU  45  -6.823   6.807   8.765
  343   3HD1  LEU  45          3HD1      LEU  45  -7.963   7.111  10.076
  344   1HD2  LEU  45          1HD2      LEU  45  -7.601   9.730  10.808
  345   2HD2  LEU  45          2HD2      LEU  45  -6.203   9.579  11.873
  346   3HD2  LEU  45          3HD2      LEU  45  -7.459   8.341  11.887
  347    H    GLY  46           H        GLY  46  -3.393   8.203  13.241
  348   1HA   GLY  46          2HA       GLY  46  -1.561   7.248  14.282
  349   2HA   GLY  46          1HA       GLY  46  -0.747   7.216  12.721
  350    HA   PRO  47           HA       PRO  47   1.125  10.763  14.950
  351   1HB   PRO  47          2HB       PRO  47   3.222   9.650  16.103
  352   2HB   PRO  47          1HB       PRO  47   1.605   9.376  16.751
  353   1HG   PRO  47          2HG       PRO  47   3.382   7.512  15.304
  354   2HG   PRO  47          1HG       PRO  47   2.028   7.155  16.388
  355   1HD   PRO  47          2HD       PRO  47   2.051   7.299  13.473
  356   2HD   PRO  47          1HD       PRO  47   0.755   6.732  14.550
  357    H    GLN  48           H        GLN  48   1.826  11.849  13.025
  358    HA   GLN  48           HA       GLN  48   4.634  11.604  12.520
  359   1HB   GLN  48          2HB       GLN  48   4.692  10.960  10.278
  360   2HB   GLN  48          1HB       GLN  48   3.545   9.850  10.989
  361   1HG   GLN  48          2HG       GLN  48   2.848  12.321   9.430
  362   2HG   GLN  48          1HG       GLN  48   2.878  10.691   8.788
  363   1HE2  GLN  48          1HE2      GLN  48   1.733   9.740  11.470
  364   2HE2  GLN  48          2HE2      GLN  48   0.064  10.072  11.315
  365    H    ASP  49           H        ASP  49   1.562  13.057  11.518
  366    HA   ASP  49           HA       ASP  49   2.313  15.674  11.994
  367   1HB   ASP  49          2HB       ASP  49   3.941  15.296  10.136
  368   2HB   ASP  49          1HB       ASP  49   2.581  15.018   9.052
  369    H    GLN  50           H        GLN  50   0.498  13.509   9.976
  370    HA   GLN  50           HA       GLN  50  -1.653  13.447   9.246
  371   1HB   GLN  50          2HB       GLN  50  -2.507  15.433  11.286
  372   2HB   GLN  50          1HB       GLN  50  -3.282  13.945  10.762
  373   1HG   GLN  50          2HG       GLN  50  -0.740  13.879  12.320
  374   2HG   GLN  50          1HG       GLN  50  -2.300  14.061  13.121
  375   1HE2  GLN  50          1HE2      GLN  50  -0.120  11.948  11.641
  376   2HE2  GLN  50          2HE2      GLN  50  -1.050  10.503  11.788
  377    HA   PRO  51           HA       PRO  51  -1.576  17.774   7.481
  378   1HB   PRO  51          2HB       PRO  51   0.267  17.475   5.456
  379   2HB   PRO  51          1HB       PRO  51   0.626  18.125   7.056
  380   1HG   PRO  51          2HG       PRO  51   1.524  15.659   5.905
  381   2HG   PRO  51          1HG       PRO  51   1.902  16.316   7.501
  382   1HD   PRO  51          2HD       PRO  51  -0.067  14.264   6.718
  383   2HD   PRO  51          1HD       PRO  51   0.700  14.560   8.295
  384    H    ASP  52           H        ASP  52  -0.488  15.623   4.912
  385    HA   ASP  52           HA       ASP  52  -3.153  15.324   3.822
  386   1HB   ASP  52          2HB       ASP  52  -2.264  16.180   1.570
  387   2HB   ASP  52          1HB       ASP  52  -2.664  17.385   2.791
  388    H    TYR  53           H        TYR  53  -2.719  13.141   4.286
  389    HA   TYR  53           HA       TYR  53  -0.495  11.729   3.251
  390   1HB   TYR  53          2HB       TYR  53  -1.547  10.922   5.197
  391   2HB   TYR  53          1HB       TYR  53  -3.138  10.956   4.458
  392    HD1  TYR  53           1HD      TYR  53  -3.948   8.836   4.516
  393    HD2  TYR  53           2HD      TYR  53   0.071   9.436   3.300
  394    HE1  TYR  53           1HE      TYR  53  -3.757   6.434   4.012
  395    HE2  TYR  53           2HE      TYR  53   0.279   7.038   2.785
  396    HH   TYR  53           HH       TYR  53  -0.764   5.080   2.663
  397    H    LEU  54           H        LEU  54  -0.209  11.652   1.104
  398    HA   LEU  54           HA       LEU  54  -2.459  11.319  -0.700
  399   1HB   LEU  54          2HB       LEU  54  -0.473  12.763  -1.231
  400   2HB   LEU  54          1HB       LEU  54   0.492  11.304  -1.346
  401    HG   LEU  54           HG       LEU  54  -1.070  10.535  -3.187
  402   1HD1  LEU  54          1HD1      LEU  54  -1.962  13.056  -4.057
  403   2HD1  LEU  54          2HD1      LEU  54  -2.457  12.894  -2.372
  404   3HD1  LEU  54          3HD1      LEU  54  -2.929  11.670  -3.552
  405   1HD2  LEU  54          1HD2      LEU  54   1.139  11.440  -3.659
  406   2HD2  LEU  54          2HD2      LEU  54   0.492  13.081  -3.622
  407   3HD2  LEU  54          3HD2      LEU  54  -0.022  11.958  -4.882
  408    H    ASN  55           H        ASN  55  -3.309   9.364  -0.956
  409    HA   ASN  55           HA       ASN  55  -1.518   7.032  -0.792
  410   1HB   ASN  55          2HB       ASN  55  -3.302   7.064   0.895
  411   2HB   ASN  55          1HB       ASN  55  -4.511   7.153  -0.383
  412   1HD2  ASN  55          1HD2      ASN  55  -3.004   5.129   1.696
  413   2HD2  ASN  55          2HD2      ASN  55  -3.233   3.629   0.870
  414    H    ALA  56           H        ALA  56  -1.591   5.414  -2.307
  415    HA   ALA  56           HA       ALA  56  -3.437   5.385  -4.483
  416   1HB   ALA  56          1HB       ALA  56  -0.630   6.258  -5.153
  417   2HB   ALA  56          2HB       ALA  56  -2.036   7.321  -5.131
  418   3HB   ALA  56          3HB       ALA  56  -1.954   5.989  -6.285
  419    H    ALA  57           H        ALA  57  -3.692   3.199  -4.285
  420    HA   ALA  57           HA       ALA  57  -1.412   1.460  -3.959
  421   1HB   ALA  57          1HB       ALA  57  -4.275   0.704  -4.509
  422   2HB   ALA  57          2HB       ALA  57  -3.622   1.029  -2.902
  423   3HB   ALA  57          3HB       ALA  57  -3.004  -0.324  -3.848
  424    H    VAL  58           H        VAL  58  -0.954  -0.339  -5.442
  425    HA   VAL  58           HA       VAL  58  -1.871  -0.017  -8.188
  426    HB   VAL  58           HB       VAL  58   0.422  -0.002  -9.102
  427   1HG1  VAL  58          1HG1      VAL  58   0.658   2.288  -9.033
  428   2HG1  VAL  58          2HG1      VAL  58   0.243   2.387  -7.321
  429   3HG1  VAL  58          3HG1      VAL  58  -1.018   2.096  -8.520
  430   1HG2  VAL  58          1HG2      VAL  58   1.153  -0.574  -6.457
  431   2HG2  VAL  58          2HG2      VAL  58   1.787   1.035  -6.798
  432   3HG2  VAL  58          3HG2      VAL  58   2.221  -0.321  -7.837
  433    H    ALA  59           H        ALA  59  -2.046  -1.935  -9.227
  434    HA   ALA  59           HA       ALA  59  -1.354  -4.337  -7.797
  435   1HB   ALA  59          1HB       ALA  59  -3.037  -3.618 -10.049
  436   2HB   ALA  59          2HB       ALA  59  -3.179  -4.961  -8.914
  437   3HB   ALA  59          3HB       ALA  59  -2.140  -5.110 -10.332
  438    H    LEU  60           H        LEU  60   0.843  -4.494  -7.689
  439    HA   LEU  60           HA       LEU  60   2.579  -4.117  -9.911
  440   1HB   LEU  60          2HB       LEU  60   3.320  -3.797  -7.602
  441   2HB   LEU  60          1HB       LEU  60   3.051  -5.496  -7.268
  442    HG   LEU  60           HG       LEU  60   4.841  -6.077  -8.912
  443   1HD1  LEU  60          1HD1      LEU  60   5.075  -3.075  -9.064
  444   2HD1  LEU  60          2HD1      LEU  60   4.803  -4.214 -10.381
  445   3HD1  LEU  60          3HD1      LEU  60   6.361  -4.175  -9.559
  446   1HD2  LEU  60          1HD2      LEU  60   5.222  -4.566  -6.409
  447   2HD2  LEU  60          2HD2      LEU  60   6.644  -4.696  -7.443
  448   3HD2  LEU  60          3HD2      LEU  60   5.824  -6.154  -6.884
  449    H    GLU  61           H        GLU  61   2.905  -5.455 -11.539
  450    HA   GLU  61           HA       GLU  61   2.028  -8.216 -11.402
  451   1HB   GLU  61          2HB       GLU  61   1.776  -6.759 -13.460
  452   2HB   GLU  61          1HB       GLU  61   3.522  -6.809 -13.627
  453   1HG   GLU  61          2HG       GLU  61   2.544  -8.412 -15.110
  454   2HG   GLU  61          1HG       GLU  61   3.418  -9.255 -13.834
  455    H    THR  62           H        THR  62   3.407  -9.099  -9.862
  456    HA   THR  62           HA       THR  62   6.188  -9.404 -10.748
  457    HB   THR  62           HB       THR  62   6.294  -7.730  -9.056
  458    HG1  THR  62           1HG      THR  62   6.875 -10.203  -7.800
  459   1HG2  THR  62          1HG2      THR  62   5.460  -8.219  -6.731
  460   2HG2  THR  62          2HG2      THR  62   4.495  -9.513  -7.446
  461   3HG2  THR  62          3HG2      THR  62   4.230  -7.840  -7.938
  462    H    SER  63           H        SER  63   7.235 -11.265 -10.130
  463    HA   SER  63           HA       SER  63   5.507 -13.407  -9.076
  464   1HB   SER  63          2HB       SER  63   7.776 -13.634 -11.078
  465   2HB   SER  63          1HB       SER  63   6.848 -14.987 -10.431
  466    HG   SER  63           HG       SER  63   5.250 -14.510 -11.726
  467    H    LEU  64           H        LEU  64   7.706 -11.339  -8.177
  468    HA   LEU  64           HA       LEU  64   9.814 -12.937  -7.113
  469   1HB   LEU  64          2HB       LEU  64   9.805 -10.436  -7.617
  470   2HB   LEU  64          1HB       LEU  64   8.912 -10.235  -6.127
  471    HG   LEU  64           HG       LEU  64  11.370  -9.769  -5.981
  472   1HD1  LEU  64          1HD1      LEU  64   9.671 -11.003  -4.171
  473   2HD1  LEU  64          2HD1      LEU  64  11.201 -10.199  -3.812
  474   3HD1  LEU  64          3HD1      LEU  64  11.163 -11.939  -4.087
  475   1HD2  LEU  64          1HD2      LEU  64  12.786 -11.864  -5.704
  476   2HD2  LEU  64          2HD2      LEU  64  12.355 -11.399  -7.349
  477   3HD2  LEU  64          3HD2      LEU  64  11.495 -12.716  -6.550
  478    H    ALA  65           H        ALA  65  10.105 -13.737  -5.027
  479    HA   ALA  65           HA       ALA  65   8.073 -14.910  -3.688
  480   1HB   ALA  65          1HB       ALA  65  10.826 -14.367  -3.156
  481   2HB   ALA  65          2HB       ALA  65   9.812 -15.675  -2.545
  482   3HB   ALA  65          3HB       ALA  65   9.894 -14.144  -1.675
  483    HA   PRO  66           HA       PRO  66   5.538 -11.690  -1.987
  484   1HB   PRO  66          2HB       PRO  66   4.969 -13.674   0.133
  485   2HB   PRO  66          1HB       PRO  66   3.861 -12.805  -0.926
  486   1HG   PRO  66          2HG       PRO  66   4.404 -15.410  -1.273
  487   2HG   PRO  66          1HG       PRO  66   4.087 -14.323  -2.639
  488   1HD   PRO  66          2HD       PRO  66   6.662 -15.465  -1.683
  489   2HD   PRO  66          1HD       PRO  66   6.147 -15.046  -3.332
  490    H    GLU  67           H        GLU  67   8.010 -13.346  -0.239
  491    HA   GLU  67           HA       GLU  67   7.807 -11.602   2.066
  492   1HB   GLU  67          2HB       GLU  67   9.997 -12.988   2.624
  493   2HB   GLU  67          1HB       GLU  67   8.387 -13.664   2.847
  494   1HG   GLU  67          2HG       GLU  67   8.533 -14.829   0.753
  495   2HG   GLU  67          1HG       GLU  67  10.084 -14.075   0.395
  496    H    GLU  68           H        GLU  68   9.934 -12.130  -0.677
  497    HA   GLU  68           HA       GLU  68  11.738 -10.072   0.278
  498   1HB   GLU  68          2HB       GLU  68  12.626 -12.072  -0.866
  499   2HB   GLU  68          1HB       GLU  68  11.803 -11.575  -2.338
  500   1HG   GLU  68          2HG       GLU  68  13.115  -9.545  -2.415
  501   2HG   GLU  68          1HG       GLU  68  13.908  -9.979  -0.905
  502    H    LEU  69           H        LEU  69   9.051 -10.363  -1.886
  503    HA   LEU  69           HA       LEU  69   9.524  -8.101  -3.500
  504   1HB   LEU  69          2HB       LEU  69   7.829  -9.832  -3.986
  505   2HB   LEU  69          1HB       LEU  69   6.868  -9.263  -2.641
  506    HG   LEU  69           HG       LEU  69   6.079  -8.523  -4.904
  507   1HD1  LEU  69          1HD1      LEU  69   5.353  -6.449  -4.177
  508   2HD1  LEU  69          2HD1      LEU  69   6.852  -6.115  -3.311
  509   3HD1  LEU  69          3HD1      LEU  69   5.708  -7.293  -2.670
  510   1HD2  LEU  69          1HD2      LEU  69   8.225  -8.176  -5.969
  511   2HD2  LEU  69          2HD2      LEU  69   8.603  -6.879  -4.835
  512   3HD2  LEU  69          3HD2      LEU  69   7.286  -6.682  -5.990
  513    H    LEU  70           H        LEU  70   7.523  -8.502  -0.577
  514    HA   LEU  70           HA       LEU  70   6.815  -5.845  -0.203
  515   1HB   LEU  70          2HB       LEU  70   5.789  -7.449   1.201
  516   2HB   LEU  70          1HB       LEU  70   7.330  -8.104   1.718
  517    HG   LEU  70           HG       LEU  70   6.778  -5.284   2.456
  518   1HD1  LEU  70          1HD1      LEU  70   4.651  -6.714   2.815
  519   2HD1  LEU  70          2HD1      LEU  70   5.260  -5.736   4.151
  520   3HD1  LEU  70          3HD1      LEU  70   5.581  -7.470   4.109
  521   1HD2  LEU  70          1HD2      LEU  70   8.775  -6.963   3.017
  522   2HD2  LEU  70          2HD2      LEU  70   7.698  -7.352   4.357
  523   3HD2  LEU  70          3HD2      LEU  70   8.253  -5.695   4.126
  524    H    ASN  71           H        ASN  71   9.540  -7.611   1.195
  525    HA   ASN  71           HA       ASN  71  10.855  -5.478   2.379
  526   1HB   ASN  71          2HB       ASN  71  11.844  -8.078   1.264
  527   2HB   ASN  71          1HB       ASN  71  12.960  -6.907   1.957
  528   1HD2  ASN  71          1HD2      ASN  71  11.532  -9.637   2.680
  529   2HD2  ASN  71          2HD2      ASN  71  11.203  -9.423   4.362
  530    H    HIS  72           H        HIS  72  10.815  -6.429  -1.006
  531    HA   HIS  72           HA       HIS  72  13.035  -4.813  -1.776
  532   1HB   HIS  72          2HB       HIS  72  10.805  -6.138  -3.286
  533   2HB   HIS  72          1HB       HIS  72  11.805  -4.934  -4.092
  534    HD1  HIS  72           1HD      HIS  72  14.563  -5.671  -3.043
  535    HD2  HIS  72           2HD      HIS  72  11.758  -8.463  -4.310
  536    HE1  HIS  72           1HE      HIS  72  15.888  -7.702  -3.703
  537    HE2  HIS  72           2HE      HIS  72  14.177  -9.353  -4.537
  538    H    THR  73           H        THR  73   9.537  -4.396  -1.715
  539    HA   THR  73           HA       THR  73   9.548  -1.749  -2.730
  540    HB   THR  73           HB       THR  73   7.278  -1.617  -1.911
  541    HG1  THR  73           1HG      THR  73   6.441  -3.028  -0.479
  542   1HG2  THR  73          1HG2      THR  73   7.967  -4.306  -3.024
  543   2HG2  THR  73          2HG2      THR  73   7.360  -2.892  -3.883
  544   3HG2  THR  73          3HG2      THR  73   6.308  -3.765  -2.770
  545    H    GLN  74           H        GLN  74  10.122  -3.180   0.374
  546    HA   GLN  74           HA       GLN  74   9.785  -0.861   1.970
  547   1HB   GLN  74          2HB       GLN  74  11.576  -3.251   2.489
  548   2HB   GLN  74          1HB       GLN  74  11.053  -2.070   3.682
  549   1HG   GLN  74          2HG       GLN  74   9.336  -4.078   2.243
  550   2HG   GLN  74          1HG       GLN  74   9.799  -4.094   3.938
  551   1HE2  GLN  74          1HE2      GLN  74   9.330  -0.968   3.552
  552   2HE2  GLN  74          2HE2      GLN  74   7.636  -0.839   3.862
  553    H    ARG  75           H        ARG  75  12.233  -1.985  -0.163
  554    HA   ARG  75           HA       ARG  75  14.443  -0.563   0.877
  555   1HB   ARG  75          2HB       ARG  75  14.710  -2.395  -0.715
  556   2HB   ARG  75          1HB       ARG  75  13.888  -1.462  -1.955
  557   1HG   ARG  75          2HG       ARG  75  15.693   0.185  -1.904
  558   2HG   ARG  75          1HG       ARG  75  16.516  -0.762  -0.664
  559   1HD   ARG  75          2HD       ARG  75  15.866  -1.682  -3.462
  560   2HD   ARG  75          1HD       ARG  75  17.455  -1.192  -2.878
  561    HE   ARG  75           HE       ARG  75  16.518  -3.249  -1.235
  562   1HH1  ARG  75          1HH1      ARG  75  17.541  -2.757  -4.528
  563   2HH1  ARG  75          2HH1      ARG  75  18.100  -4.382  -4.734
  564   1HH2  ARG  75          1HH2      ARG  75  17.247  -5.395  -1.499
  565   2HH2  ARG  75          2HH2      ARG  75  17.932  -5.881  -3.015
  566    H    ILE  76           H        ILE  76  11.687   0.382  -0.993
  567    HA   ILE  76           HA       ILE  76  12.812   2.765  -2.084
  568    HB   ILE  76           HB       ILE  76   9.888   2.192  -1.519
  569   1HG1  ILE  76          2HG1      ILE  76  11.599   1.678  -3.971
  570   2HG1  ILE  76          1HG1      ILE  76  10.828   0.464  -2.958
  571   1HG2  ILE  76          1HG2      ILE  76  10.033   3.824  -3.715
  572   2HG2  ILE  76          2HG2      ILE  76  11.343   4.437  -2.706
  573   3HG2  ILE  76          3HG2      ILE  76   9.699   4.358  -2.066
  574   1HD1  ILE  76          1HD1      ILE  76   9.150   0.490  -4.398
  575   2HD1  ILE  76          2HD1      ILE  76   9.781   1.924  -5.207
  576   3HD1  ILE  76          3HD1      ILE  76   8.747   2.095  -3.788
  577    H    GLU  77           H        GLU  77  11.336   1.819   0.901
  578    HA   GLU  77           HA       GLU  77  10.838   4.385   1.970
  579   1HB   GLU  77          2HB       GLU  77  11.420   1.737   3.304
  580   2HB   GLU  77          1HB       GLU  77  10.935   3.180   4.173
  581   1HG   GLU  77          2HG       GLU  77   8.836   3.226   2.905
  582   2HG   GLU  77          1HG       GLU  77   9.322   1.742   2.087
  583    H    LEU  78           H        LEU  78  13.682   2.445   1.595
  584    HA   LEU  78           HA       LEU  78  15.282   4.051   3.407
  585   1HB   LEU  78          2HB       LEU  78  16.062   1.838   1.506
  586   2HB   LEU  78          1HB       LEU  78  17.143   2.608   2.651
  587    HG   LEU  78           HG       LEU  78  14.707   0.973   3.370
  588   1HD1  LEU  78          1HD1      LEU  78  17.566   0.261   3.916
  589   2HD1  LEU  78          2HD1      LEU  78  16.783  -0.186   2.401
  590   3HD1  LEU  78          3HD1      LEU  78  16.139  -0.776   3.933
  591   1HD2  LEU  78          1HD2      LEU  78  14.939   1.617   5.498
  592   2HD2  LEU  78          2HD2      LEU  78  15.864   2.971   4.849
  593   3HD2  LEU  78          3HD2      LEU  78  16.699   1.530   5.428
  594    H    GLN  79           H        GLN  79  15.277   3.305  -0.083
  595    HA   GLN  79           HA       GLN  79  17.248   5.133  -0.841
  596   1HB   GLN  79          2HB       GLN  79  14.867   4.164  -2.424
  597   2HB   GLN  79          1HB       GLN  79  16.266   4.984  -3.103
  598   1HG   GLN  79          2HG       GLN  79  17.686   3.134  -2.255
  599   2HG   GLN  79          1HG       GLN  79  16.218   2.298  -1.755
  600   1HE2  GLN  79          1HE2      GLN  79  15.456   0.887  -3.139
  601   2HE2  GLN  79          2HE2      GLN  79  15.709   0.890  -4.844
  602    H    GLN  80           H        GLN  80  13.814   5.610  -0.278
  603    HA   GLN  80           HA       GLN  80  13.675   8.205  -1.445
  604   1HB   GLN  80          2HB       GLN  80  11.765   6.552  -1.032
  605   2HB   GLN  80          1HB       GLN  80  11.806   7.087   0.641
  606   1HG   GLN  80          2HG       GLN  80  10.078   8.235  -0.605
  607   2HG   GLN  80          1HG       GLN  80  11.319   9.366  -0.072
  608   1HE2  GLN  80          1HE2      GLN  80   9.483   8.342  -2.640
  609   2HE2  GLN  80          2HE2      GLN  80  10.385   9.058  -3.925
  610    H    GLY  81           H        GLY  81  15.169   7.109   1.300
  611   1HA   GLY  81          2HA       GLY  81  16.136   8.188   3.079
  612   2HA   GLY  81          1HA       GLY  81  15.774   9.697   2.253
  613    H    ARG  82           H        ARG  82  13.401   7.290   3.263
  614    HA   ARG  82           HA       ARG  82  11.706   9.170   4.449
  615   1HB   ARG  82          2HB       ARG  82  10.360   7.393   4.291
  616   2HB   ARG  82          1HB       ARG  82  11.733   6.334   4.019
  617   1HG   ARG  82          2HG       ARG  82  12.006   6.021   6.395
  618   2HG   ARG  82          1HG       ARG  82  10.705   7.167   6.723
  619   1HD   ARG  82          2HD       ARG  82   9.122   5.697   5.580
  620   2HD   ARG  82          1HD       ARG  82  10.421   4.557   5.233
  621    HE   ARG  82           HE       ARG  82  10.375   4.956   7.985
  622   1HH1  ARG  82          1HH1      ARG  82   8.291   3.645   5.520
  623   2HH1  ARG  82          2HH1      ARG  82   7.541   2.501   6.582
  624   1HH2  ARG  82          1HH2      ARG  82   9.393   3.455   9.390
  625   2HH2  ARG  82          2HH2      ARG  82   8.167   2.394   8.782
  626    H    VAL  83           H        VAL  83  11.396   9.844   6.530
  627    HA   VAL  83           HA       VAL  83  13.500   9.082   8.451
  628    HB   VAL  83           HB       VAL  83  12.025  11.715   8.310
  629   1HG1  VAL  83          1HG1      VAL  83  14.091  12.346   9.764
  630   2HG1  VAL  83          2HG1      VAL  83  14.165  10.613  10.084
  631   3HG1  VAL  83          3HG1      VAL  83  12.717  11.526  10.506
  632   1HG2  VAL  83          1HG2      VAL  83  13.664  12.604   7.017
  633   2HG2  VAL  83          2HG2      VAL  83  13.804  10.933   6.466
  634   3HG2  VAL  83          3HG2      VAL  83  14.915  11.555   7.688
  635    H    ARG  84           H        ARG  84  12.211   7.398   9.305
  636    HA   ARG  84           HA       ARG  84   9.830   8.247  10.798
  637   1HB   ARG  84          2HB       ARG  84  10.321   6.020   9.081
  638   2HB   ARG  84          1HB       ARG  84  10.051   5.409  10.706
  639   1HG   ARG  84          2HG       ARG  84   8.204   7.155   9.099
  640   2HG   ARG  84          1HG       ARG  84   7.970   5.461   9.528
  641   1HD   ARG  84          2HD       ARG  84   7.864   6.059  11.887
  642   2HD   ARG  84          1HD       ARG  84   8.142   7.752  11.481
  643    HE   ARG  84           HE       ARG  84   5.870   6.713  10.122
  644   1HH1  ARG  84          1HH1      ARG  84   6.980   7.954  13.179
  645   2HH1  ARG  84          2HH1      ARG  84   5.400   8.417  13.714
  646   1HH2  ARG  84          1HH2      ARG  84   3.783   7.314  10.812
  647   2HH2  ARG  84          2HH2      ARG  84   3.578   8.051  12.365
  648    H    LYS  85           H        LYS  85   9.604   7.729  12.935
  649    HA   LYS  85           HA       LYS  85  12.007   6.733  14.310
  650   1HB   LYS  85          2HB       LYS  85   9.739   8.434  15.368
  651   2HB   LYS  85          1HB       LYS  85  11.105   7.868  16.320
  652   1HG   LYS  85          2HG       LYS  85  11.295   9.699  13.936
  653   2HG   LYS  85          1HG       LYS  85  11.330  10.212  15.625
  654   1HD   LYS  85          2HD       LYS  85  13.349   8.867  15.983
  655   2HD   LYS  85          1HD       LYS  85  13.318   8.376  14.287
  656   1HE   LYS  85          2HE       LYS  85  13.578  10.713  13.609
  657   2HE   LYS  85          1HE       LYS  85  13.602  11.204  15.302
  658   1HZ   LYS  85          1HZ       LYS  85  15.832  11.041  14.354
  659   2HZ   LYS  85          2HZ       LYS  85  15.584   9.403  14.019
  660   3HZ   LYS  85          3HZ       LYS  85  15.620   9.940  15.621
  661    H    ALA  86           H        ALA  86   8.518   6.848  14.695
  662    HA   ALA  86           HA       ALA  86   8.413   3.971  15.179
  663   1HB   ALA  86          1HB       ALA  86   6.831   4.377  17.103
  664   2HB   ALA  86          2HB       ALA  86   7.354   6.060  17.083
  665   3HB   ALA  86          3HB       ALA  86   8.517   4.780  17.424
  666    H    GLU  87           H        GLU  87   7.023   3.290  13.648
  667    HA   GLU  87           HA       GLU  87   4.729   5.029  13.020
  668   1HB   GLU  87          2HB       GLU  87   6.220   4.973  11.151
  669   2HB   GLU  87          1HB       GLU  87   6.330   3.219  11.218
  670   1HG   GLU  87          2HG       GLU  87   3.995   3.033  10.572
  671   2HG   GLU  87          1HG       GLU  87   3.853   4.789  10.551
  672    H    ARG  88           H        ARG  88   2.999   4.213  13.999
  673    HA   ARG  88           HA       ARG  88   2.537   1.316  13.847
  674   1HB   ARG  88          2HB       ARG  88   1.310   3.417  15.641
  675   2HB   ARG  88          1HB       ARG  88   0.803   1.733  15.602
  676   1HG   ARG  88          2HG       ARG  88   3.571   2.684  16.310
  677   2HG   ARG  88          1HG       ARG  88   2.318   2.244  17.472
  678   1HD   ARG  88          2HD       ARG  88   2.259  -0.024  16.519
  679   2HD   ARG  88          1HD       ARG  88   3.543   0.425  15.397
  680    HE   ARG  88           HE       ARG  88   4.427   0.953  17.996
  681   1HH1  ARG  88          1HH1      ARG  88   3.593  -1.774  15.992
  682   2HH1  ARG  88          2HH1      ARG  88   4.665  -2.863  16.805
  683   1HH2  ARG  88          1HH2      ARG  88   5.842  -0.475  19.071
  684   2HH2  ARG  88          2HH2      ARG  88   5.944  -2.126  18.555
  685    H    TRP  89           H        TRP  89   0.695   4.374  13.680
  686    HA   TRP  89           HA       TRP  89  -0.936   3.164  11.543
  687   1HB   TRP  89          2HB       TRP  89  -1.906   5.180  13.576
  688   2HB   TRP  89          1HB       TRP  89  -2.869   4.405  12.325
  689    HD1  TRP  89           HD       TRP  89  -3.580   1.845  12.729
  690    HE1  TRP  89           1HE      TRP  89  -3.731   0.437  14.879
  691    HE3  TRP  89           3HE      TRP  89  -0.820   4.817  15.842
  692    HZ2  TRP  89           2HZ      TRP  89  -2.809   0.572  17.543
  693    HZ3  TRP  89           3HZ      TRP  89  -0.507   4.109  18.177
  694    HH2  TRP  89           HH       TRP  89  -1.483   2.030  19.008
  695    H    GLY  90           H        GLY  90   1.145   5.691  12.422
  696   1HA   GLY  90          2HA       GLY  90   0.051   7.691  10.662
  697   2HA   GLY  90          1HA       GLY  90   1.564   7.791  11.538
  698    HA   PRO  91           HA       PRO  91   2.011   6.405   6.893
  699   1HB   PRO  91          2HB       PRO  91   1.645   9.227   6.079
  700   2HB   PRO  91          1HB       PRO  91   1.002   7.753   5.345
  701   1HG   PRO  91          2HG       PRO  91  -0.628   9.356   6.675
  702   2HG   PRO  91          1HG       PRO  91  -0.745   7.600   6.903
  703   1HD   PRO  91          2HD       PRO  91   0.704   9.611   8.614
  704   2HD   PRO  91          1HD       PRO  91  -0.503   8.405   9.120
  705    H    ARG  92           H        ARG  92   2.919   9.743   7.899
  706    HA   ARG  92           HA       ARG  92   4.966  10.640   8.366
  707   1HB   ARG  92          2HB       ARG  92   5.525   8.019   8.761
  708   2HB   ARG  92          1HB       ARG  92   6.579   8.357   7.397
  709   1HG   ARG  92          2HG       ARG  92   6.577   9.866  10.004
  710   2HG   ARG  92          1HG       ARG  92   7.707   8.606   9.552
  711   1HD   ARG  92          2HD       ARG  92   8.898   9.965   8.243
  712   2HD   ARG  92          1HD       ARG  92   7.469  10.770   7.604
  713    HE   ARG  92           HE       ARG  92   8.112  12.476   8.960
  714   1HH1  ARG  92          1HH1      ARG  92   8.661   9.510  10.749
  715   2HH1  ARG  92          2HH1      ARG  92   9.096  10.339  12.203
  716   1HH2  ARG  92          1HH2      ARG  92   8.689  13.537  10.871
  717   2HH2  ARG  92          2HH2      ARG  92   9.116  12.613  12.274
  718    H    THR  93           H        THR  93   7.104   9.215   6.335
  719    HA   THR  93           HA       THR  93   6.605  11.227   4.263
  720    HB   THR  93           HB       THR  93   8.960  10.861   3.623
  721    HG1  THR  93           1HG      THR  93   9.176   9.197   5.894
  722   1HG2  THR  93          1HG2      THR  93   9.139  12.555   5.078
  723   2HG2  THR  93          2HG2      THR  93   9.903  11.334   6.095
  724   3HG2  THR  93          3HG2      THR  93   8.200  11.731   6.322
  725    H    LEU  94           H        LEU  94   7.372   7.797   4.673
  726    HA   LEU  94           HA       LEU  94   5.943   7.110   2.259
  727   1HB   LEU  94          2HB       LEU  94   8.131   7.642   1.344
  728   2HB   LEU  94          1HB       LEU  94   8.912   6.607   2.524
  729    HG   LEU  94           HG       LEU  94   7.796   4.645   1.500
  730   1HD1  LEU  94          1HD1      LEU  94   5.857   5.484   0.505
  731   2HD1  LEU  94          2HD1      LEU  94   6.900   5.069  -0.856
  732   3HD1  LEU  94          3HD1      LEU  94   6.736   6.751  -0.352
  733   1HD2  LEU  94          1HD2      LEU  94  10.075   5.346   0.859
  734   2HD2  LEU  94          2HD2      LEU  94   9.385   6.289  -0.463
  735   3HD2  LEU  94          3HD2      LEU  94   9.213   4.534  -0.448
  736    H    ASP  95           H        ASP  95   5.395   4.915   2.163
  737    HA   ASP  95           HA       ASP  95   6.409   2.957   3.937
  738   1HB   ASP  95          2HB       ASP  95   5.197   4.256   5.625
  739   2HB   ASP  95          1HB       ASP  95   3.724   4.146   4.668
  740    H    LEU  96           H        LEU  96   6.444   1.778   1.995
  741    HA   LEU  96           HA       LEU  96   3.792   1.027   0.977
  742   1HB   LEU  96          2HB       LEU  96   4.858   0.471  -1.146
  743   2HB   LEU  96          1HB       LEU  96   5.140   2.139  -0.704
  744    HG   LEU  96           HG       LEU  96   7.183  -0.023  -0.230
  745   1HD1  LEU  96          1HD1      LEU  96   6.267   0.871  -2.713
  746   2HD1  LEU  96          2HD1      LEU  96   7.748  -0.025  -2.376
  747   3HD1  LEU  96          3HD1      LEU  96   7.775   1.737  -2.426
  748   1HD2  LEU  96          1HD2      LEU  96   8.091   2.681  -0.758
  749   2HD2  LEU  96          2HD2      LEU  96   8.473   1.604   0.586
  750   3HD2  LEU  96          3HD2      LEU  96   7.022   2.605   0.643
  751    H    ASP  97           H        ASP  97   3.211  -0.747   2.044
  752    HA   ASP  97           HA       ASP  97   5.096  -3.014   2.081
  753   1HB   ASP  97          2HB       ASP  97   4.025  -3.757   4.171
  754   2HB   ASP  97          1HB       ASP  97   4.764  -2.173   4.356
  755    H    ILE  98           H        ILE  98   4.140  -5.129   1.977
  756    HA   ILE  98           HA       ILE  98   2.068  -5.329   0.059
  757    HB   ILE  98           HB       ILE  98   3.527  -7.344   1.748
  758   1HG1  ILE  98          2HG1      ILE  98   4.737  -6.603  -0.169
  759   2HG1  ILE  98          1HG1      ILE  98   4.124  -8.212  -0.532
  760   1HG2  ILE  98          1HG2      ILE  98   2.160  -8.972   0.118
  761   2HG2  ILE  98          2HG2      ILE  98   0.943  -7.718   0.356
  762   3HG2  ILE  98          3HG2      ILE  98   1.617  -8.565   1.747
  763   1HD1  ILE  98          1HD1      ILE  98   2.437  -7.344  -1.950
  764   2HD1  ILE  98          2HD1      ILE  98   3.955  -6.569  -2.398
  765   3HD1  ILE  98          3HD1      ILE  98   2.766  -5.691  -1.436
  766    H    MET  99           H        MET  99  -0.079  -5.553   0.281
  767    HA   MET  99           HA       MET  99  -1.156  -5.943   2.998
  768   1HB   MET  99          2HB       MET  99  -2.365  -4.178   0.870
  769   2HB   MET  99          1HB       MET  99  -2.938  -4.386   2.519
  770   1HG   MET  99          2HG       MET  99  -0.785  -3.406   3.303
  771   2HG   MET  99          1HG       MET  99  -0.407  -3.044   1.619
  772   1HE   MET  99          1HE       MET  99  -3.450  -2.606   0.687
  773   2HE   MET  99          2HE       MET  99  -2.248  -1.471   0.074
  774   3HE   MET  99          3HE       MET  99  -3.722  -0.870   0.834
  775    H    LEU 100           H        LEU 100  -1.137  -6.889  -0.262
  776    HA   LEU 100           HA       LEU 100  -3.027  -8.984   0.244
  777   1HB   LEU 100          2HB       LEU 100  -3.852  -6.535  -1.144
  778   2HB   LEU 100          1HB       LEU 100  -4.219  -8.000  -2.036
  779    HG   LEU 100           HG       LEU 100  -5.120  -7.345   0.775
  780   1HD1  LEU 100          1HD1      LEU 100  -7.374  -7.393  -0.275
  781   2HD1  LEU 100          2HD1      LEU 100  -6.586  -7.478  -1.851
  782   3HD1  LEU 100          3HD1      LEU 100  -6.351  -6.064  -0.823
  783   1HD2  LEU 100          1HD2      LEU 100  -6.229  -9.640  -0.726
  784   2HD2  LEU 100          2HD2      LEU 100  -5.970  -9.434   1.005
  785   3HD2  LEU 100          3HD2      LEU 100  -4.611  -9.828  -0.048
  786    H    PHE 101           H        PHE 101  -1.666 -10.542  -0.461
  787    HA   PHE 101           HA       PHE 101  -0.364 -10.146  -3.049
  788   1HB   PHE 101          2HB       PHE 101   0.571 -11.252  -0.689
  789   2HB   PHE 101          1HB       PHE 101   0.251 -12.656  -1.701
  790    HD1  PHE 101           1HD      PHE 101   1.849 -13.344  -3.211
  791    HD2  PHE 101           2HD      PHE 101   1.895  -9.324  -1.824
  792    HE1  PHE 101           1HE      PHE 101   3.952 -12.951  -4.431
  793    HE2  PHE 101           2HE      PHE 101   3.996  -8.920  -3.042
  794    HZ   PHE 101           HZ       PHE 101   5.026 -10.736  -4.349
  795    H    GLY 102           H        GLY 102  -0.103 -12.417  -4.223
  796   1HA   GLY 102          2HA       GLY 102  -2.669 -13.003  -5.250
  797   2HA   GLY 102          1HA       GLY 102  -1.184 -13.837  -5.659
  798    H    ASN 103           H        ASN 103  -3.897 -13.738  -3.416
  799    HA   ASN 103           HA       ASN 103  -4.919 -15.343  -2.155
  800   1HB   ASN 103          2HB       ASN 103  -5.166 -16.396  -4.341
  801   2HB   ASN 103          1HB       ASN 103  -3.584 -17.151  -4.174
  802   1HD2  ASN 103          1HD2      ASN 103  -3.420 -19.041  -3.186
  803   2HD2  ASN 103          2HD2      ASN 103  -4.720 -19.866  -2.401
  804    H    GLU 104           H        GLU 104  -1.657 -14.961  -1.954
  805    HA   GLU 104           HA       GLU 104  -1.300 -17.273  -0.227
  806   1HB   GLU 104          2HB       GLU 104   1.107 -16.271  -0.235
  807   2HB   GLU 104          1HB       GLU 104   0.525 -17.278  -1.535
  808   1HG   GLU 104          2HG       GLU 104  -0.204 -14.837  -2.424
  809   2HG   GLU 104          1HG       GLU 104   1.234 -14.427  -1.494
  810    H    VAL 105           H        VAL 105  -1.201 -17.167   1.828
  811    HA   VAL 105           HA       VAL 105  -1.129 -14.534   3.132
  812    HB   VAL 105           HB       VAL 105  -2.567 -17.066   3.890
  813   1HG1  VAL 105          1HG1      VAL 105  -1.517 -15.689   5.812
  814   2HG1  VAL 105          2HG1      VAL 105  -3.225 -16.111   5.930
  815   3HG1  VAL 105          3HG1      VAL 105  -2.752 -14.490   5.428
  816   1HG2  VAL 105          1HG2      VAL 105  -4.554 -15.469   3.784
  817   2HG2  VAL 105          2HG2      VAL 105  -3.818 -15.948   2.253
  818   3HG2  VAL 105          3HG2      VAL 105  -3.467 -14.363   2.945
  819    H    ILE 106           H        ILE 106   1.156 -14.630   3.310
  820    HA   ILE 106           HA       ILE 106   2.065 -16.436   5.435
  821    HB   ILE 106           HB       ILE 106   3.680 -15.710   2.984
  822   1HG1  ILE 106          2HG1      ILE 106   2.526 -18.380   3.827
  823   2HG1  ILE 106          1HG1      ILE 106   1.892 -17.367   2.536
  824   1HG2  ILE 106          1HG2      ILE 106   5.202 -15.904   4.756
  825   2HG2  ILE 106          2HG2      ILE 106   5.227 -17.487   3.978
  826   3HG2  ILE 106          3HG2      ILE 106   4.328 -17.255   5.477
  827   1HD1  ILE 106          1HD1      ILE 106   3.195 -18.511   1.159
  828   2HD1  ILE 106          2HD1      ILE 106   4.060 -19.268   2.497
  829   3HD1  ILE 106          3HD1      ILE 106   4.568 -17.689   1.899
  830    H    ASN 107           H        ASN 107   2.201 -15.049   7.056
  831    HA   ASN 107           HA       ASN 107   3.454 -12.442   6.662
  832   1HB   ASN 107          2HB       ASN 107   2.354 -13.401   9.282
  833   2HB   ASN 107          1HB       ASN 107   2.420 -11.763   8.637
  834   1HD2  ASN 107          1HD2      ASN 107   0.685 -10.979   7.656
  835   2HD2  ASN 107          2HD2      ASN 107  -0.730 -11.877   7.246
  836    H    THR 108           H        THR 108   5.623 -12.542   6.743
  837    HA   THR 108           HA       THR 108   6.857 -14.340   8.721
  838    HB   THR 108           HB       THR 108   8.889 -14.190   7.461
  839    HG1  THR 108           1HG      THR 108   8.555 -11.899   6.942
  840   1HG2  THR 108          1HG2      THR 108   7.885 -14.515   5.009
  841   2HG2  THR 108          2HG2      THR 108   6.416 -14.743   5.958
  842   3HG2  THR 108          3HG2      THR 108   7.825 -15.763   6.254
  843    H    GLU 109           H        GLU 109   9.382 -12.884   8.659
  844    HA   GLU 109           HA       GLU 109   9.119 -11.337  10.949
  845   1HB   GLU 109          2HB       GLU 109  11.267 -11.143   8.828
  846   2HB   GLU 109          1HB       GLU 109  11.391 -10.532  10.472
  847   1HG   GLU 109          2HG       GLU 109  11.021 -13.426   9.733
  848   2HG   GLU 109          1HG       GLU 109  12.562 -12.671  10.131
  849    H    ARG 110           H        ARG 110  10.039  -9.998   7.775
  850    HA   ARG 110           HA       ARG 110   8.788  -7.473   8.553
  851   1HB   ARG 110          2HB       ARG 110  10.576  -8.095   6.193
  852   2HB   ARG 110          1HB       ARG 110   9.993  -6.502   6.652
  853   1HG   ARG 110          2HG       ARG 110  11.225  -6.612   8.737
  854   2HG   ARG 110          1HG       ARG 110  11.774  -8.241   8.347
  855   1HD   ARG 110          2HD       ARG 110  12.365  -5.792   6.691
  856   2HD   ARG 110          1HD       ARG 110  13.461  -6.472   7.892
  857    HE   ARG 110           HE       ARG 110  12.757  -8.495   6.093
  858   1HH1  ARG 110          1HH1      ARG 110  14.546  -5.504   6.150
  859   2HH1  ARG 110          2HH1      ARG 110  15.632  -5.981   4.887
  860   1HH2  ARG 110          1HH2      ARG 110  14.181  -9.127   4.429
  861   2HH2  ARG 110          2HH2      ARG 110  15.424  -8.039   3.909
  862    H    LEU 111           H        LEU 111   8.506 -10.089   6.248
  863    HA   LEU 111           HA       LEU 111   6.714  -8.804   4.473
  864   1HB   LEU 111          2HB       LEU 111   7.619 -10.703   3.523
  865   2HB   LEU 111          1HB       LEU 111   7.467 -11.641   4.994
  866    HG   LEU 111           HG       LEU 111   5.039 -11.808   4.643
  867   1HD1  LEU 111          1HD1      LEU 111   5.655 -10.026   2.343
  868   2HD1  LEU 111          2HD1      LEU 111   4.292  -9.998   3.462
  869   3HD1  LEU 111          3HD1      LEU 111   4.357 -11.208   2.182
  870   1HD2  LEU 111          1HD2      LEU 111   6.932 -13.279   3.459
  871   2HD2  LEU 111          2HD2      LEU 111   6.060 -12.705   2.038
  872   3HD2  LEU 111          3HD2      LEU 111   5.205 -13.596   3.298
  873    H    THR 112           H        THR 112   4.608  -8.515   4.522
  874    HA   THR 112           HA       THR 112   2.995  -9.897   6.517
  875    HB   THR 112           HB       THR 112   1.782  -7.643   6.811
  876    HG1  THR 112           1HG      THR 112   3.154  -5.842   6.553
  877   1HG2  THR 112          1HG2      THR 112   3.753  -8.827   8.315
  878   2HG2  THR 112          2HG2      THR 112   2.716  -7.489   8.810
  879   3HG2  THR 112          3HG2      THR 112   4.310  -7.165   8.128
  880    H    VAL 113           H        VAL 113   1.501 -10.932   5.374
  881    HA   VAL 113           HA       VAL 113   0.659  -9.898   2.804
  882    HB   VAL 113           HB       VAL 113  -0.827 -11.996   2.837
  883   1HG1  VAL 113          1HG1      VAL 113   1.270 -11.817   1.602
  884   2HG1  VAL 113          2HG1      VAL 113   0.985 -13.446   2.212
  885   3HG1  VAL 113          3HG1      VAL 113   2.143 -12.391   3.022
  886   1HG2  VAL 113          1HG2      VAL 113   0.975 -13.012   4.967
  887   2HG2  VAL 113          2HG2      VAL 113  -0.601 -13.605   4.441
  888   3HG2  VAL 113          3HG2      VAL 113  -0.489 -12.136   5.412
  889    HA   PRO 114           HA       PRO 114  -3.604  -8.344   3.430
  890   1HB   PRO 114          2HB       PRO 114  -4.391 -10.993   4.593
  891   2HB   PRO 114          1HB       PRO 114  -5.309  -9.915   3.546
  892   1HG   PRO 114          2HG       PRO 114  -3.782 -12.105   2.695
  893   2HG   PRO 114          1HG       PRO 114  -4.420 -10.815   1.665
  894   1HD   PRO 114          2HD       PRO 114  -1.709 -11.347   2.141
  895   2HD   PRO 114          1HD       PRO 114  -2.362  -9.847   1.453
  896    H    HIS 115           H        HIS 115  -2.546  -7.034   4.966
  897    HA   HIS 115           HA       HIS 115  -2.238  -7.859   7.696
  898   1HB   HIS 115          2HB       HIS 115  -0.759  -6.255   6.340
  899   2HB   HIS 115          1HB       HIS 115  -2.026  -5.062   6.584
  900    HD1  HIS 115           1HD      HIS 115  -2.657  -5.436   9.533
  901    HD2  HIS 115           2HD      HIS 115   1.204  -5.416   7.985
  902    HE1  HIS 115           1HE      HIS 115  -1.167  -4.787  11.451
  903    HE2  HIS 115           2HE      HIS 115   1.154  -4.715  10.477
  904    H    TYR 116           H        TYR 116  -3.755  -7.716   9.230
  905    HA   TYR 116           HA       TYR 116  -6.335  -6.720   8.731
  906   1HB   TYR 116          2HB       TYR 116  -6.358  -6.700  11.392
  907   2HB   TYR 116          1HB       TYR 116  -6.408  -8.200  10.481
  908    HD1  TYR 116           1HD      TYR 116  -3.492  -6.002  11.164
  909    HD2  TYR 116           2HD      TYR 116  -5.354  -9.754  11.929
  910    HE1  TYR 116           1HE      TYR 116  -1.476  -6.757  12.347
  911    HE2  TYR 116           2HE      TYR 116  -3.341 -10.514  13.113
  912    HH   TYR 116           HH       TYR 116  -1.322  -9.968  13.855
  913    H    ASP 117           H        ASP 117  -6.194  -4.659   7.908
  914    HA   ASP 117           HA       ASP 117  -6.234  -2.507   9.752
  915   1HB   ASP 117          2HB       ASP 117  -3.718  -3.119   9.459
  916   2HB   ASP 117          1HB       ASP 117  -3.895  -2.397   7.867
  917    H    MET 118           H        MET 118  -5.211  -3.153   6.425
  918    HA   MET 118           HA       MET 118  -6.186  -0.909   5.165
  919   1HB   MET 118          2HB       MET 118  -6.224  -2.302   3.113
  920   2HB   MET 118          1HB       MET 118  -4.739  -2.471   4.039
  921   1HG   MET 118          2HG       MET 118  -5.443  -4.586   4.909
  922   2HG   MET 118          1HG       MET 118  -7.040  -4.402   4.189
  923   1HE   MET 118          1HE       MET 118  -6.198  -3.248   1.165
  924   2HE   MET 118          2HE       MET 118  -7.510  -4.287   1.723
  925   3HE   MET 118          3HE       MET 118  -6.439  -4.833   0.432
  926    H    LYS 119           H        LYS 119  -7.850  -3.897   5.902
  927    HA   LYS 119           HA       LYS 119 -10.240  -3.281   4.497
  928   1HB   LYS 119          2HB       LYS 119 -11.127  -5.219   5.895
  929   2HB   LYS 119          1HB       LYS 119  -9.764  -5.549   4.828
  930   1HG   LYS 119          2HG       LYS 119  -8.232  -5.332   6.716
  931   2HG   LYS 119          1HG       LYS 119  -9.602  -5.034   7.788
  932   1HD   LYS 119          2HD       LYS 119  -8.979  -7.334   8.016
  933   2HD   LYS 119          1HD       LYS 119 -10.509  -7.270   7.141
  934   1HE   LYS 119          2HE       LYS 119  -7.813  -7.529   5.814
  935   2HE   LYS 119          1HE       LYS 119  -8.841  -8.899   6.230
  936   1HZ   LYS 119          1HZ       LYS 119  -9.690  -8.605   4.203
  937   2HZ   LYS 119          2HZ       LYS 119  -9.047  -7.051   4.038
  938   3HZ   LYS 119          3HZ       LYS 119 -10.512  -7.277   4.852
  939    H    ASN 120           H        ASN 120  -9.082  -1.591   6.879
  940    HA   ASN 120           HA       ASN 120 -11.721  -1.043   8.052
  941   1HB   ASN 120          2HB       ASN 120  -9.106  -0.875   9.568
  942   2HB   ASN 120          1HB       ASN 120 -10.725  -0.671  10.222
  943   1HD2  ASN 120          1HD2      ASN 120  -8.254  -2.669  10.224
  944   2HD2  ASN 120          2HD2      ASN 120  -9.046  -4.195  10.386
  945    H    ARG 121           H        ARG 121 -10.112   0.054   5.824
  946    HA   ARG 121           HA       ARG 121 -10.192   2.867   6.623
  947   1HB   ARG 121          2HB       ARG 121  -7.823   1.643   5.192
  948   2HB   ARG 121          1HB       ARG 121  -8.006   3.327   5.663
  949   1HG   ARG 121          2HG       ARG 121  -7.956   1.069   7.645
  950   2HG   ARG 121          1HG       ARG 121  -6.507   1.928   7.123
  951   1HD   ARG 121          2HD       ARG 121  -7.429   4.022   7.945
  952   2HD   ARG 121          1HD       ARG 121  -8.929   3.210   8.388
  953    HE   ARG 121           HE       ARG 121  -7.926   2.676  10.354
  954   1HH1  ARG 121          1HH1      ARG 121  -5.432   2.981   7.936
  955   2HH1  ARG 121          2HH1      ARG 121  -4.141   2.650   9.043
  956   1HH2  ARG 121          1HH2      ARG 121  -6.229   2.243  11.814
  957   2HH2  ARG 121          2HH2      ARG 121  -4.593   2.230  11.243
  958    H    GLY 122           H        GLY 122  -9.424   4.135   4.406
  959   1HA   GLY 122          2HA       GLY 122 -10.975   2.908   2.210
  960   2HA   GLY 122          1HA       GLY 122 -11.186   4.590   2.655
  961    H    PHE 123           H        PHE 123  -8.002   3.893   3.098
  962    HA   PHE 123           HA       PHE 123  -7.361   4.961   0.458
  963   1HB   PHE 123          2HB       PHE 123  -5.077   5.418   1.598
  964   2HB   PHE 123          1HB       PHE 123  -6.447   6.448   1.987
  965    HD1  PHE 123           1HD      PHE 123  -4.921   3.264   3.184
  966    HD2  PHE 123           2HD      PHE 123  -6.729   6.975   4.202
  967    HE1  PHE 123           1HE      PHE 123  -4.608   2.755   5.569
  968    HE2  PHE 123           2HE      PHE 123  -6.415   6.477   6.591
  969    HZ   PHE 123           HZ       PHE 123  -5.309   4.438   7.288
  970    H    MET 124           H        MET 124  -7.026   2.210   2.477
  971    HA   MET 124           HA       MET 124  -4.959   1.046   0.778
  972   1HB   MET 124          2HB       MET 124  -6.322   0.004   3.275
  973   2HB   MET 124          1HB       MET 124  -5.109  -0.889   2.369
  974   1HG   MET 124          2HG       MET 124  -3.492   0.918   2.773
  975   2HG   MET 124          1HG       MET 124  -4.706   1.770   3.721
  976   1HE   MET 124          1HE       MET 124  -2.436   1.814   4.868
  977   2HE   MET 124          2HE       MET 124  -1.653   0.445   5.658
  978   3HE   MET 124          3HE       MET 124  -2.899   1.362   6.508
  979    H    LEU 125           H        LEU 125  -8.368   0.783   1.485
  980    HA   LEU 125           HA       LEU 125  -8.781  -1.581  -0.119
  981   1HB   LEU 125          2HB       LEU 125 -10.643   0.320   1.284
  982   2HB   LEU 125          1HB       LEU 125 -11.216  -1.030   0.331
  983    HG   LEU 125           HG       LEU 125  -9.549  -1.180   2.834
  984   1HD1  LEU 125          1HD1      LEU 125 -12.395  -1.952   2.258
  985   2HD1  LEU 125          2HD1      LEU 125 -11.848  -0.624   3.281
  986   3HD1  LEU 125          3HD1      LEU 125 -11.534  -2.293   3.757
  987   1HD2  LEU 125          1HD2      LEU 125 -10.378  -3.708   2.388
  988   2HD2  LEU 125          2HD2      LEU 125  -8.797  -3.089   1.905
  989   3HD2  LEU 125          3HD2      LEU 125 -10.114  -3.157   0.733
  990    H    TRP 126           H        TRP 126 -10.052   1.726  -0.310
  991    HA   TRP 126           HA       TRP 126 -11.398   1.603  -2.661
  992   1HB   TRP 126          2HB       TRP 126 -11.483   3.533  -1.211
  993   2HB   TRP 126          1HB       TRP 126  -9.815   3.935  -1.591
  994    HD1  TRP 126           HD       TRP 126 -10.094   6.194  -2.758
  995    HE1  TRP 126           1HE      TRP 126 -11.321   7.021  -4.868
  996    HE3  TRP 126           3HE      TRP 126 -12.836   2.007  -3.794
  997    HZ2  TRP 126           2HZ      TRP 126 -13.209   6.029  -6.717
  998    HZ3  TRP 126           3HZ      TRP 126 -14.334   2.031  -5.746
  999    HH2  TRP 126           HH       TRP 126 -14.515   4.002  -7.176
 1000    HA   PRO 127           HA       PRO 127  -7.573   2.935  -5.351
 1001   1HB   PRO 127          2HB       PRO 127  -5.294   2.157  -3.630
 1002   2HB   PRO 127          1HB       PRO 127  -5.505   3.590  -4.640
 1003   1HG   PRO 127          2HG       PRO 127  -5.654   3.770  -1.997
 1004   2HG   PRO 127          1HG       PRO 127  -6.747   4.705  -3.037
 1005   1HD   PRO 127          2HD       PRO 127  -7.288   2.169  -1.522
 1006   2HD   PRO 127          1HD       PRO 127  -8.307   3.615  -1.693
 1007    H    LEU 128           H        LEU 128  -6.858   0.269  -3.106
 1008    HA   LEU 128           HA       LEU 128  -5.629  -1.462  -4.941
 1009   1HB   LEU 128          2HB       LEU 128  -6.317  -1.532  -2.258
 1010   2HB   LEU 128          1HB       LEU 128  -7.304  -2.786  -2.974
 1011    HG   LEU 128           HG       LEU 128  -5.267  -3.826  -3.900
 1012   1HD1  LEU 128          1HD1      LEU 128  -3.095  -3.124  -3.091
 1013   2HD1  LEU 128          2HD1      LEU 128  -3.831  -1.823  -2.157
 1014   3HD1  LEU 128          3HD1      LEU 128  -3.879  -1.780  -3.918
 1015   1HD2  LEU 128          1HD2      LEU 128  -4.875  -5.006  -1.980
 1016   2HD2  LEU 128          2HD2      LEU 128  -6.370  -4.186  -1.531
 1017   3HD2  LEU 128          3HD2      LEU 128  -4.818  -3.562  -0.971
 1018    H    PHE 129           H        PHE 129  -8.939  -0.752  -4.214
 1019    HA   PHE 129           HA       PHE 129 -10.201  -2.938  -5.499
 1020   1HB   PHE 129          2HB       PHE 129 -11.404  -1.498  -3.941
 1021   2HB   PHE 129          1HB       PHE 129 -11.157  -0.103  -4.984
 1022    HD1  PHE 129           1HD      PHE 129 -12.835   0.509  -6.449
 1023    HD2  PHE 129           2HD      PHE 129 -12.687  -3.495  -5.019
 1024    HE1  PHE 129           1HE      PHE 129 -14.972   0.033  -7.574
 1025    HE2  PHE 129           2HE      PHE 129 -14.822  -3.979  -6.140
 1026    HZ   PHE 129           HZ       PHE 129 -15.961  -2.185  -7.443
 1027    H    GLU 130           H        GLU 130  -8.465  -0.288  -6.679
 1028    HA   GLU 130           HA       GLU 130  -9.712  -0.429  -9.325
 1029   1HB   GLU 130          2HB       GLU 130  -9.533   1.810  -8.311
 1030   2HB   GLU 130          1HB       GLU 130  -7.789   1.620  -8.211
 1031   1HG   GLU 130          2HG       GLU 130  -7.648   1.504 -10.637
 1032   2HG   GLU 130          1HG       GLU 130  -9.400   1.656 -10.753
 1033    H    ILE 131           H        ILE 131  -6.729  -1.040  -7.586
 1034    HA   ILE 131           HA       ILE 131  -5.077  -1.260  -9.902
 1035    HB   ILE 131           HB       ILE 131  -3.374  -1.990  -8.497
 1036   1HG1  ILE 131          2HG1      ILE 131  -5.379  -2.935  -6.425
 1037   2HG1  ILE 131          1HG1      ILE 131  -4.637  -3.995  -7.618
 1038   1HG2  ILE 131          1HG2      ILE 131  -3.547  -0.652  -6.438
 1039   2HG2  ILE 131          2HG2      ILE 131  -5.274  -0.453  -6.737
 1040   3HG2  ILE 131          3HG2      ILE 131  -4.100   0.224  -7.866
 1041   1HD1  ILE 131          1HD1      ILE 131  -2.815  -2.374  -5.956
 1042   2HD1  ILE 131          2HD1      ILE 131  -2.652  -4.026  -6.551
 1043   3HD1  ILE 131          3HD1      ILE 131  -3.685  -3.689  -5.163
 1044    H    ALA 132           H        ALA 132  -7.148  -3.366  -8.119
 1045    HA   ALA 132           HA       ALA 132  -7.876  -5.118 -10.020
 1046   1HB   ALA 132          1HB       ALA 132  -6.053  -6.257 -10.649
 1047   2HB   ALA 132          2HB       ALA 132  -6.172  -7.078  -9.092
 1048   3HB   ALA 132          3HB       ALA 132  -5.116  -5.677  -9.272
 1049    HA   PRO 133           HA       PRO 133  -9.524  -6.060  -5.856
 1050   1HB   PRO 133          2HB       PRO 133 -12.065  -5.474  -6.261
 1051   2HB   PRO 133          1HB       PRO 133 -10.860  -4.176  -6.138
 1052   1HG   PRO 133          2HG       PRO 133 -12.081  -5.394  -8.603
 1053   2HG   PRO 133          1HG       PRO 133 -11.853  -3.680  -8.207
 1054   1HD   PRO 133          2HD       PRO 133 -10.131  -5.148  -9.781
 1055   2HD   PRO 133          1HD       PRO 133  -9.659  -3.698  -8.870
 1056    H    GLU 134           H        GLU 134  -9.323  -7.672  -8.575
 1057    HA   GLU 134           HA       GLU 134 -11.543  -9.504  -8.312
 1058   1HB   GLU 134          2HB       GLU 134 -10.443 -10.743 -10.137
 1059   2HB   GLU 134          1HB       GLU 134 -10.641  -9.042 -10.535
 1060   1HG   GLU 134          2HG       GLU 134  -8.299  -8.636  -9.979
 1061   2HG   GLU 134          1HG       GLU 134  -8.101 -10.339  -9.573
 1062    H    LEU 135           H        LEU 135  -9.100  -8.950  -6.400
 1063    HA   LEU 135           HA       LEU 135  -7.890 -11.516  -6.067
 1064   1HB   LEU 135          2HB       LEU 135  -7.157  -9.059  -5.323
 1065   2HB   LEU 135          1HB       LEU 135  -7.964  -9.541  -3.843
 1066    HG   LEU 135           HG       LEU 135  -5.594 -10.905  -5.132
 1067   1HD1  LEU 135          1HD1      LEU 135  -5.197 -10.175  -2.428
 1068   2HD1  LEU 135          2HD1      LEU 135  -5.823  -8.772  -3.294
 1069   3HD1  LEU 135          3HD1      LEU 135  -4.363  -9.584  -3.866
 1070   1HD2  LEU 135          1HD2      LEU 135  -7.513 -11.869  -3.144
 1071   2HD2  LEU 135          2HD2      LEU 135  -5.826 -11.986  -2.643
 1072   3HD2  LEU 135          3HD2      LEU 135  -6.356 -12.762  -4.136
 1073    H    VAL 136           H        VAL 136  -8.379 -13.102  -4.653
 1074    HA   VAL 136           HA       VAL 136 -10.599 -12.671  -2.801
 1075    HB   VAL 136           HB       VAL 136 -11.646 -13.751  -4.680
 1076   1HG1  VAL 136          1HG1      VAL 136  -9.212 -15.432  -4.634
 1077   2HG1  VAL 136          2HG1      VAL 136 -10.159 -14.842  -5.999
 1078   3HG1  VAL 136          3HG1      VAL 136 -10.721 -16.231  -5.070
 1079   1HG2  VAL 136          1HG2      VAL 136 -12.467 -15.810  -3.618
 1080   2HG2  VAL 136          2HG2      VAL 136 -12.385 -14.466  -2.480
 1081   3HG2  VAL 136          3HG2      VAL 136 -11.149 -15.721  -2.450
 1082    H    PHE 137           H        PHE 137 -10.006 -13.274  -0.803
 1083    HA   PHE 137           HA       PHE 137  -7.543 -14.394  -0.175
 1084   1HB   PHE 137          2HB       PHE 137 -10.104 -14.211   1.423
 1085   2HB   PHE 137          1HB       PHE 137  -8.594 -14.798   2.100
 1086    HD1  PHE 137           1HD      PHE 137  -9.437 -11.866  -0.083
 1087    HD2  PHE 137           2HD      PHE 137  -7.752 -13.275   3.562
 1088    HE1  PHE 137           1HE      PHE 137  -8.803  -9.568   0.507
 1089    HE2  PHE 137           2HE      PHE 137  -7.114 -10.976   4.156
 1090    HZ   PHE 137           HZ       PHE 137  -7.639  -9.119   2.629
 1091    HA   PRO 138           HA       PRO 138  -7.865 -18.737  -0.881
 1092   1HB   PRO 138          2HB       PRO 138  -6.919 -19.567   1.639
 1093   2HB   PRO 138          1HB       PRO 138  -5.956 -19.349   0.181
 1094   1HG   PRO 138          2HG       PRO 138  -6.307 -17.550   2.512
 1095   2HG   PRO 138          1HG       PRO 138  -4.918 -17.736   1.429
 1096   1HD   PRO 138          2HD       PRO 138  -6.556 -15.604   1.304
 1097   2HD   PRO 138          1HD       PRO 138  -5.792 -16.291  -0.145
 1098    H    ASP 139           H        ASP 139  -9.242 -17.132   1.818
 1099    HA   ASP 139           HA       ASP 139 -10.846 -19.317   2.777
 1100   1HB   ASP 139          2HB       ASP 139  -9.973 -17.106   3.975
 1101   2HB   ASP 139          1HB       ASP 139 -11.500 -16.470   3.385
 1102    H    GLY 140           H        GLY 140 -11.749 -16.130   1.447
 1103   1HA   GLY 140          2HA       GLY 140 -13.289 -16.764  -0.678
 1104   2HA   GLY 140          1HA       GLY 140 -14.357 -17.118   0.672
 1105    H    GLU 141           H        GLU 141 -11.962 -14.552   0.575
 1106    HA   GLU 141           HA       GLU 141 -14.142 -12.567   0.663
 1107   1HB   GLU 141          2HB       GLU 141 -12.988 -12.693   2.790
 1108   2HB   GLU 141          1HB       GLU 141 -11.428 -12.557   1.993
 1109   1HG   GLU 141          2HG       GLU 141 -11.966 -10.291   1.300
 1110   2HG   GLU 141          1HG       GLU 141 -13.546 -10.426   2.068
 1111    H    MET 142           H        MET 142 -13.658 -10.465  -0.315
 1112    HA   MET 142           HA       MET 142 -11.370 -10.382  -2.132
 1113   1HB   MET 142          2HB       MET 142 -14.230 -10.031  -3.043
 1114   2HB   MET 142          1HB       MET 142 -12.807  -9.747  -4.038
 1115   1HG   MET 142          2HG       MET 142 -12.210 -12.130  -3.797
 1116   2HG   MET 142          1HG       MET 142 -13.699 -12.382  -2.888
 1117   1HE   MET 142          1HE       MET 142 -16.429 -12.240  -4.645
 1118   2HE   MET 142          2HE       MET 142 -16.100 -10.770  -5.561
 1119   3HE   MET 142          3HE       MET 142 -15.676 -10.857  -3.852
 1120    H    LEU 143           H        LEU 143 -10.928  -8.168  -2.959
 1121    HA   LEU 143           HA       LEU 143 -11.283  -6.187  -1.028
 1122   1HB   LEU 143          2HB       LEU 143  -9.765  -6.325  -3.204
 1123   2HB   LEU 143          1HB       LEU 143 -11.084  -5.409  -3.907
 1124    HG   LEU 143           HG       LEU 143  -9.381  -3.883  -3.204
 1125   1HD1  LEU 143          1HD1      LEU 143 -11.360  -3.553  -1.015
 1126   2HD1  LEU 143          2HD1      LEU 143 -11.892  -3.445  -2.693
 1127   3HD1  LEU 143          3HD1      LEU 143 -10.653  -2.348  -2.088
 1128   1HD2  LEU 143          1HD2      LEU 143  -8.023  -4.657  -1.599
 1129   2HD2  LEU 143          2HD2      LEU 143  -9.300  -5.608  -0.842
 1130   3HD2  LEU 143          3HD2      LEU 143  -9.169  -3.882  -0.502
 1131    H    ARG 144           H        ARG 144 -13.315  -7.342  -3.566
 1132    HA   ARG 144           HA       ARG 144 -15.112  -5.130  -3.675
 1133   1HB   ARG 144          2HB       ARG 144 -15.126  -6.617  -5.537
 1134   2HB   ARG 144          1HB       ARG 144 -15.361  -8.022  -4.504
 1135   1HG   ARG 144          2HG       ARG 144 -17.408  -7.455  -5.675
 1136   2HG   ARG 144          1HG       ARG 144 -17.603  -7.232  -3.936
 1137   1HD   ARG 144          2HD       ARG 144 -18.568  -5.308  -4.762
 1138   2HD   ARG 144          1HD       ARG 144 -16.921  -4.777  -4.446
 1139    HE   ARG 144           HE       ARG 144 -17.000  -5.683  -7.072
 1140   1HH1  ARG 144          1HH1      ARG 144 -18.400  -3.130  -5.155
 1141   2HH1  ARG 144          2HH1      ARG 144 -18.542  -2.034  -6.489
 1142   1HH2  ARG 144          1HH2      ARG 144 -17.187  -4.248  -8.829
 1143   2HH2  ARG 144          2HH2      ARG 144 -17.853  -2.670  -8.575
 1144    H    GLN 145           H        GLN 145 -15.388  -8.358  -2.197
 1145    HA   GLN 145           HA       GLN 145 -17.772  -7.882  -0.818
 1146   1HB   GLN 145          2HB       GLN 145 -16.958 -10.130  -1.132
 1147   2HB   GLN 145          1HB       GLN 145 -15.491  -9.777  -0.233
 1148   1HG   GLN 145          2HG       GLN 145 -18.173  -9.555   1.073
 1149   2HG   GLN 145          1HG       GLN 145 -17.376 -11.117   0.900
 1150   1HE2  GLN 145          1HE2      GLN 145 -14.851  -9.181   1.117
 1151   2HE2  GLN 145          2HE2      GLN 145 -14.611  -9.131   2.824
 1152    H    ILE 146           H        ILE 146 -14.510  -6.943  -0.148
 1153    HA   ILE 146           HA       ILE 146 -14.893  -6.386   2.631
 1154    HB   ILE 146           HB       ILE 146 -12.749  -5.412   0.735
 1155   1HG1  ILE 146          2HG1      ILE 146 -12.712  -7.609   2.821
 1156   2HG1  ILE 146          1HG1      ILE 146 -12.807  -7.865   1.082
 1157   1HG2  ILE 146          1HG2      ILE 146 -13.333  -4.812   3.551
 1158   2HG2  ILE 146          2HG2      ILE 146 -12.387  -3.908   2.369
 1159   3HG2  ILE 146          3HG2      ILE 146 -11.663  -5.274   3.217
 1160   1HD1  ILE 146          1HD1      ILE 146 -10.535  -8.087   2.286
 1161   2HD1  ILE 146          2HD1      ILE 146 -10.531  -6.323   2.248
 1162   3HD1  ILE 146          3HD1      ILE 146 -10.613  -7.240   0.742
 1163    H    LEU 147           H        LEU 147 -14.647  -4.314  -0.290
 1164    HA   LEU 147           HA       LEU 147 -15.275  -1.930   1.119
 1165   1HB   LEU 147          2HB       LEU 147 -15.317  -2.674  -1.790
 1166   2HB   LEU 147          1HB       LEU 147 -15.880  -1.105  -1.247
 1167    HG   LEU 147           HG       LEU 147 -13.098  -2.209  -0.854
 1168   1HD1  LEU 147          1HD1      LEU 147 -13.649   0.235  -2.425
 1169   2HD1  LEU 147          2HD1      LEU 147 -14.078  -1.306  -3.164
 1170   3HD1  LEU 147          3HD1      LEU 147 -12.418  -1.007  -2.651
 1171   1HD2  LEU 147          1HD2      LEU 147 -12.757   0.303  -0.248
 1172   2HD2  LEU 147          2HD2      LEU 147 -13.369  -0.817   0.968
 1173   3HD2  LEU 147          3HD2      LEU 147 -14.482   0.253   0.118
 1174    H    HIS 148           H        HIS 148 -17.172  -4.569   0.177
 1175    HA   HIS 148           HA       HIS 148 -19.637  -3.193  -0.282
 1176   1HB   HIS 148          2HB       HIS 148 -19.192  -5.468  -1.157
 1177   2HB   HIS 148          1HB       HIS 148 -19.168  -6.082   0.491
 1178    HD1  HIS 148           1HD      HIS 148 -21.592  -5.329   1.805
 1179    HD2  HIS 148           2HD      HIS 148 -21.579  -5.918  -2.309
 1180    HE1  HIS 148           1HE      HIS 148 -23.990  -5.755   1.180
 1181    HE2  HIS 148           2HE      HIS 148 -23.969  -6.009  -1.327
 1182    H    THR 149           H        THR 149 -18.034  -4.630   2.487
 1183    HA   THR 149           HA       THR 149 -20.300  -4.031   4.224
 1184    HB   THR 149           HB       THR 149 -17.644  -5.356   4.817
 1185    HG1  THR 149           1HG      THR 149 -20.206  -6.543   4.680
 1186   1HG2  THR 149          1HG2      THR 149 -18.825  -4.239   6.776
 1187   2HG2  THR 149          2HG2      THR 149 -18.422  -5.950   6.933
 1188   3HG2  THR 149          3HG2      THR 149 -20.076  -5.464   6.560
 1189    H    ARG 150           H        ARG 150 -17.181  -2.817   3.351
 1190    HA   ARG 150           HA       ARG 150 -17.077  -1.002   5.627
 1191   1HB   ARG 150          2HB       ARG 150 -15.166  -1.556   3.358
 1192   2HB   ARG 150          1HB       ARG 150 -14.916  -0.253   4.512
 1193   1HG   ARG 150          2HG       ARG 150 -15.147  -3.170   5.227
 1194   2HG   ARG 150          1HG       ARG 150 -13.635  -2.277   5.058
 1195   1HD   ARG 150          2HD       ARG 150 -14.195  -0.847   6.889
 1196   2HD   ARG 150          1HD       ARG 150 -15.826  -1.506   6.976
 1197    HE   ARG 150           HE       ARG 150 -13.956  -3.577   7.337
 1198   1HH1  ARG 150          1HH1      ARG 150 -15.234  -0.778   8.972
 1199   2HH1  ARG 150          2HH1      ARG 150 -14.948  -1.414  10.558
 1200   1HH2  ARG 150          1HH2      ARG 150 -13.584  -4.425   9.422
 1201   2HH2  ARG 150          2HH2      ARG 150 -14.010  -3.485  10.813
 1202    H    ALA 151           H        ALA 151 -16.776  -0.628   2.087
 1203    HA   ALA 151           HA       ALA 151 -17.447   1.024   0.670
 1204   1HB   ALA 151          1HB       ALA 151 -19.390   2.486   2.035
 1205   2HB   ALA 151          2HB       ALA 151 -19.553   0.837   2.638
 1206   3HB   ALA 151          3HB       ALA 151 -19.658   1.157   0.907
 1207    H    PHE 152           H        PHE 152 -15.180   1.622   1.731
 1208    HA   PHE 152           HA       PHE 152 -15.362   4.284   2.949
 1209   1HB   PHE 152          2HB       PHE 152 -13.191   2.203   2.887
 1210   2HB   PHE 152          1HB       PHE 152 -12.844   3.871   3.321
 1211    HD1  PHE 152           1HD      PHE 152 -12.219   3.632   5.540
 1212    HD2  PHE 152           2HD      PHE 152 -15.883   1.937   4.210
 1213    HE1  PHE 152           1HE      PHE 152 -12.848   3.172   7.877
 1214    HE2  PHE 152           2HE      PHE 152 -16.524   1.472   6.542
 1215    HZ   PHE 152           HZ       PHE 152 -15.003   2.090   8.379
 1216    H    ASP 153           H        ASP 153 -15.968   4.236   0.270
 1217    HA   ASP 153           HA       ASP 153 -14.098   4.457  -1.664
 1218   1HB   ASP 153          2HB       ASP 153 -16.348   6.430  -1.187
 1219   2HB   ASP 153          1HB       ASP 153 -15.491   6.210  -2.709
 1220    H    LYS 154           H        LYS 154 -15.061   7.205   0.381
 1221    HA   LYS 154           HA       LYS 154 -14.021   9.267   0.606
 1222   1HB   LYS 154          2HB       LYS 154 -12.248   7.155   1.785
 1223   2HB   LYS 154          1HB       LYS 154 -12.024   8.870   2.110
 1224   1HG   LYS 154          2HG       LYS 154 -14.340   8.932   3.007
 1225   2HG   LYS 154          1HG       LYS 154 -14.422   7.184   2.791
 1226   1HD   LYS 154          2HD       LYS 154 -12.445   8.658   4.533
 1227   2HD   LYS 154          1HD       LYS 154 -13.869   7.791   5.103
 1228   1HE   LYS 154          2HE       LYS 154 -12.048   6.331   5.445
 1229   2HE   LYS 154          1HE       LYS 154 -12.883   5.728   4.015
 1230   1HZ   LYS 154          1HZ       LYS 154 -10.296   6.013   4.060
 1231   2HZ   LYS 154          2HZ       LYS 154 -10.670   7.606   3.636
 1232   3HZ   LYS 154          3HZ       LYS 154 -11.180   6.327   2.652
 1233    H    LEU 155           H        LEU 155 -10.989   9.195   0.996
 1234    HA   LEU 155           HA       LEU 155  -9.207   9.977  -0.177
 1235   1HB   LEU 155          2HB       LEU 155 -10.189   7.689  -1.845
 1236   2HB   LEU 155          1HB       LEU 155  -8.763   8.597  -2.305
 1237    HG   LEU 155           HG       LEU 155  -9.116   7.056   0.270
 1238   1HD1  LEU 155          1HD1      LEU 155  -7.043   5.926  -1.013
 1239   2HD1  LEU 155          2HD1      LEU 155  -8.018   6.424  -2.395
 1240   3HD1  LEU 155          3HD1      LEU 155  -8.707   5.363  -1.167
 1241   1HD2  LEU 155          1HD2      LEU 155  -7.207   7.950   1.027
 1242   2HD2  LEU 155          2HD2      LEU 155  -7.521   9.241  -0.131
 1243   3HD2  LEU 155          3HD2      LEU 155  -6.445   7.913  -0.562
 1244    H    ASN 156           H        ASN 156  -9.904  12.074  -0.667
 1245    HA   ASN 156           HA       ASN 156 -11.299  12.510  -3.185
 1246   1HB   ASN 156          2HB       ASN 156 -11.386  14.858  -2.529
 1247   2HB   ASN 156          1HB       ASN 156 -11.940  13.846  -1.203
 1248   1HD2  ASN 156          1HD2      ASN 156 -11.076  14.170   0.724
 1249   2HD2  ASN 156          2HD2      ASN 156  -9.642  15.075   1.047
 1250    H    LYS 157           H        LYS 157 -10.219  12.709  -5.030
 1251    HA   LYS 157           HA       LYS 157  -7.601  12.461  -5.506
 1252   1HB   LYS 157          2HB       LYS 157  -9.590  14.169  -6.973
 1253   2HB   LYS 157          1HB       LYS 157  -7.939  13.982  -7.544
 1254   1HG   LYS 157          2HG       LYS 157  -8.233  11.611  -7.785
 1255   2HG   LYS 157          1HG       LYS 157  -9.841  11.699  -7.063
 1256   1HD   LYS 157          2HD       LYS 157 -10.585  13.112  -8.931
 1257   2HD   LYS 157          1HD       LYS 157  -8.981  12.989  -9.653
 1258   1HE   LYS 157          2HE       LYS 157  -9.253  10.567  -9.843
 1259   2HE   LYS 157          1HE       LYS 157 -10.854  10.686  -9.114
 1260   1HZ   LYS 157          1HZ       LYS 157 -11.214  12.358 -11.077
 1261   2HZ   LYS 157          2HZ       LYS 157 -11.393  10.692 -11.314
 1262   3HZ   LYS 157          3HZ       LYS 157  -9.967  11.467 -11.796
 1263    H    TRP 158           H        TRP 158  -5.934  13.353  -4.602
 1264    HA   TRP 158           HA       TRP 158  -5.352  15.316  -3.065
 1265   1HB   TRP 158          2HB       TRP 158  -3.544  14.141  -4.042
 1266   2HB   TRP 158          1HB       TRP 158  -3.919  14.740  -5.649
 1267    HD1  TRP 158           HD       TRP 158  -2.568  16.788  -6.429
 1268    HE1  TRP 158           1HE      TRP 158  -1.016  18.496  -5.287
 1269    HE3  TRP 158           3HE      TRP 158  -3.240  15.357  -1.570
 1270    HZ2  TRP 158           2HZ      TRP 158  -0.188  19.149  -2.669
 1271    HZ3  TRP 158           3HZ      TRP 158  -2.030  16.577   0.191
 1272    HH2  TRP 158           HH       TRP 158  -0.535  18.430  -0.348
  Start of MODEL    5
    1   1H    THR   1          1HT       THR   1   2.420 -13.088  -9.859
    2   2H    THR   1          2HT       THR   1   1.019 -12.906 -10.790
    3   3H    THR   1          3HT       THR   1   1.291 -14.345  -9.944
    4    HA   THR   1           HA       THR   1  -0.333 -13.087  -8.762
    5    HB   THR   1           HB       THR   1   2.396 -12.964  -7.449
    6    HG1  THR   1           1HG      THR   1   0.672 -15.025  -8.054
    7   1HG2  THR   1          1HG2      THR   1   1.265 -11.980  -5.786
    8   2HG2  THR   1          2HG2      THR   1   0.696 -13.618  -5.467
    9   3HG2  THR   1          3HG2      THR   1  -0.305 -12.504  -6.397
   10    H    VAL   2           H        VAL   2  -0.920 -11.151  -7.612
   11    HA   VAL   2           HA       VAL   2   0.364  -8.752  -8.737
   12    HB   VAL   2           HB       VAL   2  -2.453  -9.152  -7.720
   13   1HG1  VAL   2          1HG1      VAL   2  -2.337  -6.977  -7.173
   14   2HG1  VAL   2          2HG1      VAL   2  -2.434  -6.705  -8.913
   15   3HG1  VAL   2          3HG1      VAL   2  -0.864  -6.720  -8.108
   16   1HG2  VAL   2          1HG2      VAL   2  -2.522  -8.103 -10.269
   17   2HG2  VAL   2          2HG2      VAL   2  -2.805  -9.787  -9.824
   18   3HG2  VAL   2          3HG2      VAL   2  -1.198  -9.267 -10.332
   19    H    ALA   3           H        ALA   3   0.910  -7.030  -7.431
   20    HA   ALA   3           HA       ALA   3   0.962  -7.627  -4.554
   21   1HB   ALA   3          1HB       ALA   3   2.666  -5.495  -4.946
   22   2HB   ALA   3          2HB       ALA   3   2.902  -6.480  -6.389
   23   3HB   ALA   3          3HB       ALA   3   3.136  -7.187  -4.789
   24    H    TYR   4           H        TYR   4  -0.899  -6.817  -3.806
   25    HA   TYR   4           HA       TYR   4  -1.894  -4.195  -4.568
   26   1HB   TYR   4          2HB       TYR   4  -2.870  -6.077  -2.417
   27   2HB   TYR   4          1HB       TYR   4  -3.752  -4.729  -3.127
   28    HD1  TYR   4           1HD      TYR   4  -2.255  -8.035  -3.945
   29    HD2  TYR   4           2HD      TYR   4  -5.076  -5.045  -5.028
   30    HE1  TYR   4           1HE      TYR   4  -3.166  -9.531  -5.669
   31    HE2  TYR   4           2HE      TYR   4  -5.994  -6.532  -6.751
   32    HH   TYR   4           HH       TYR   4  -4.691  -8.801  -8.111
   33    H    ILE   5           H        ILE   5  -0.369  -2.697  -3.798
   34    HA   ILE   5           HA       ILE   5  -0.012  -2.655  -0.865
   35    HB   ILE   5           HB       ILE   5   2.091  -1.622  -2.732
   36   1HG1  ILE   5          2HG1      ILE   5   1.874  -4.467  -1.725
   37   2HG1  ILE   5          1HG1      ILE   5   1.608  -3.952  -3.392
   38   1HG2  ILE   5          1HG2      ILE   5   2.518  -2.899  -0.064
   39   2HG2  ILE   5          2HG2      ILE   5   1.949  -1.234  -0.174
   40   3HG2  ILE   5          3HG2      ILE   5   3.493  -1.687  -0.895
   41   1HD1  ILE   5          1HD1      ILE   5   4.122  -4.321  -1.894
   42   2HD1  ILE   5          2HD1      ILE   5   4.061  -2.964  -3.018
   43   3HD1  ILE   5          3HD1      ILE   5   3.756  -4.601  -3.596
   44    H    ALA   6           H        ALA   6  -0.233  -0.744   0.167
   45    HA   ALA   6           HA       ALA   6  -1.130   1.542  -1.420
   46   1HB   ALA   6          1HB       ALA   6  -2.517   1.701   0.323
   47   2HB   ALA   6          2HB       ALA   6  -1.141   2.327   1.232
   48   3HB   ALA   6          3HB       ALA   6  -1.534   0.608   1.300
   49    H    ILE   7           H        ILE   7  -0.201   3.671  -1.120
   50    HA   ILE   7           HA       ILE   7   2.533   3.695  -0.036
   51    HB   ILE   7           HB       ILE   7   1.730   4.789  -2.738
   52   1HG1  ILE   7          2HG1      ILE   7   3.631   2.565  -1.956
   53   2HG1  ILE   7          1HG1      ILE   7   2.052   2.356  -2.708
   54   1HG2  ILE   7          1HG2      ILE   7   4.065   5.462  -2.974
   55   2HG2  ILE   7          2HG2      ILE   7   4.397   4.910  -1.333
   56   3HG2  ILE   7          3HG2      ILE   7   3.307   6.271  -1.601
   57   1HD1  ILE   7          1HD1      ILE   7   3.726   4.123  -4.254
   58   2HD1  ILE   7          2HD1      ILE   7   2.902   2.639  -4.731
   59   3HD1  ILE   7          3HD1      ILE   7   4.497   2.560  -3.986
   60    H    GLY   8           H        GLY   8   3.307   5.810   0.611
   61   1HA   GLY   8          2HA       GLY   8   1.320   7.957   0.566
   62   2HA   GLY   8          1HA       GLY   8   1.805   7.349   2.139
   63    H    SER   9           H        SER   9   2.115   9.967   1.557
   64    HA   SER   9           HA       SER   9   4.886  10.375   2.022
   65   1HB   SER   9          2HB       SER   9   5.159  11.890  -0.046
   66   2HB   SER   9          1HB       SER   9   5.261  10.148  -0.293
   67    HG   SER   9           HG       SER   9   3.803  10.592  -1.761
   68    H    ASN  10           H        ASN  10   5.165  12.246   3.141
   69    HA   ASN  10           HA       ASN  10   3.188  14.383   2.851
   70   1HB   ASN  10          2HB       ASN  10   3.796  12.984   5.456
   71   2HB   ASN  10          1HB       ASN  10   3.010  14.556   5.361
   72   1HD2  ASN  10          1HD2      ASN  10   2.170  11.784   6.257
   73   2HD2  ASN  10          2HD2      ASN  10   0.659  11.532   5.447
   74    H    LEU  11           H        LEU  11   6.096  13.370   4.635
   75    HA   LEU  11           HA       LEU  11   6.939  16.157   4.802
   76   1HB   LEU  11          2HB       LEU  11   8.047  13.649   6.059
   77   2HB   LEU  11          1HB       LEU  11   8.730  15.247   6.284
   78    HG   LEU  11           HG       LEU  11   7.383  14.621   8.201
   79   1HD1  LEU  11          1HD1      LEU  11   6.985  16.795   8.345
   80   2HD1  LEU  11          2HD1      LEU  11   5.468  16.527   7.489
   81   3HD1  LEU  11          3HD1      LEU  11   6.923  16.951   6.589
   82   1HD2  LEU  11          1HD2      LEU  11   4.914  14.616   6.520
   83   2HD2  LEU  11          2HD2      LEU  11   5.168  13.965   8.139
   84   3HD2  LEU  11          3HD2      LEU  11   5.855  13.141   6.739
   85    H    ALA  12           H        ALA  12   7.042  15.361   2.215
   86    HA   ALA  12           HA       ALA  12   9.596  16.018   1.394
   87   1HB   ALA  12          1HB       ALA  12   9.618  13.397   2.312
   88   2HB   ALA  12          2HB       ALA  12  10.845  14.174   1.312
   89   3HB   ALA  12          3HB       ALA  12   9.549  13.246   0.557
   90    H    SER  13           H        SER  13   7.019  16.675   0.634
   91    HA   SER  13           HA       SER  13   5.785  17.103  -1.227
   92   1HB   SER  13          2HB       SER  13   8.116  15.812  -2.669
   93   2HB   SER  13          1HB       SER  13   6.809  16.702  -3.453
   94    HG   SER  13           HG       SER  13   7.716  18.273  -1.568
   95    HA   PRO  14           HA       PRO  14   3.831  12.973  -0.901
   96   1HB   PRO  14          2HB       PRO  14   1.542  14.662  -1.721
   97   2HB   PRO  14          1HB       PRO  14   1.659  13.478  -0.419
   98   1HG   PRO  14          2HG       PRO  14   1.671  16.084   0.117
   99   2HG   PRO  14          1HG       PRO  14   2.707  14.963   1.021
  100   1HD   PRO  14          2HD       PRO  14   3.424  16.868  -1.169
  101   2HD   PRO  14          1HD       PRO  14   4.334  16.433   0.293
  102    H    LEU  15           H        LEU  15   3.774  15.308  -3.518
  103    HA   LEU  15           HA       LEU  15   2.629  13.428  -5.393
  104   1HB   LEU  15          2HB       LEU  15   2.063  15.785  -5.550
  105   2HB   LEU  15          1HB       LEU  15   3.751  16.198  -5.783
  106    HG   LEU  15           HG       LEU  15   3.736  14.947  -7.923
  107   1HD1  LEU  15          1HD1      LEU  15   2.124  13.452  -8.250
  108   2HD1  LEU  15          2HD1      LEU  15   1.031  14.807  -8.541
  109   3HD1  LEU  15          3HD1      LEU  15   1.158  14.106  -6.927
  110   1HD2  LEU  15          1HD2      LEU  15   1.618  17.084  -7.706
  111   2HD2  LEU  15          2HD2      LEU  15   2.461  16.597  -9.176
  112   3HD2  LEU  15          3HD2      LEU  15   3.352  17.365  -7.862
  113    H    GLU  16           H        GLU  16   5.838  14.671  -4.633
  114    HA   GLU  16           HA       GLU  16   7.028  13.579  -7.006
  115   1HB   GLU  16          2HB       GLU  16   8.142  14.845  -4.522
  116   2HB   GLU  16          1HB       GLU  16   9.166  14.256  -5.828
  117   1HG   GLU  16          2HG       GLU  16   7.990  15.779  -7.375
  118   2HG   GLU  16          1HG       GLU  16   7.076  16.414  -6.008
  119    H    GLN  17           H        GLN  17   6.605  12.485  -3.696
  120    HA   GLN  17           HA       GLN  17   8.612  10.469  -3.834
  121   1HB   GLN  17          2HB       GLN  17   6.239  10.624  -1.979
  122   2HB   GLN  17          1HB       GLN  17   7.672   9.628  -1.758
  123   1HG   GLN  17          2HG       GLN  17   8.985  11.812  -1.807
  124   2HG   GLN  17          1HG       GLN  17   7.425  12.608  -1.600
  125   1HE2  GLN  17          1HE2      GLN  17   6.762  12.933   0.394
  126   2HE2  GLN  17          2HE2      GLN  17   7.347  12.118   1.801
  127    H    VAL  18           H        VAL  18   5.315  10.622  -4.878
  128    HA   VAL  18           HA       VAL  18   4.848   7.804  -4.938
  129    HB   VAL  18           HB       VAL  18   3.472   9.990  -6.510
  130   1HG1  VAL  18          1HG1      VAL  18   2.682   8.179  -7.613
  131   2HG1  VAL  18          2HG1      VAL  18   1.615   8.073  -6.211
  132   3HG1  VAL  18          3HG1      VAL  18   3.066   7.074  -6.294
  133   1HG2  VAL  18          1HG2      VAL  18   2.445  10.583  -4.634
  134   2HG2  VAL  18          2HG2      VAL  18   3.457   9.449  -3.737
  135   3HG2  VAL  18          3HG2      VAL  18   1.900   8.924  -4.382
  136    H    ASN  19           H        ASN  19   5.793  10.182  -7.398
  137    HA   ASN  19           HA       ASN  19   5.836   8.628  -9.648
  138   1HB   ASN  19          2HB       ASN  19   7.883  10.701  -8.829
  139   2HB   ASN  19          1HB       ASN  19   7.675  10.079 -10.463
  140   1HD2  ASN  19          1HD2      ASN  19   6.996  12.595  -8.524
  141   2HD2  ASN  19          2HD2      ASN  19   5.564  13.190  -9.285
  142    H    ALA  20           H        ALA  20   8.256   8.758  -7.080
  143    HA   ALA  20           HA       ALA  20   9.920   6.773  -8.406
  144   1HB   ALA  20          1HB       ALA  20  11.447   8.010  -7.340
  145   2HB   ALA  20          2HB       ALA  20  10.978   7.114  -5.895
  146   3HB   ALA  20          3HB       ALA  20  10.254   8.687  -6.231
  147    H    ALA  21           H        ALA  21   7.692   6.970  -5.682
  148    HA   ALA  21           HA       ALA  21   8.290   4.534  -4.457
  149   1HB   ALA  21          1HB       ALA  21   5.643   5.965  -4.648
  150   2HB   ALA  21          2HB       ALA  21   6.861   6.160  -3.389
  151   3HB   ALA  21          3HB       ALA  21   5.996   4.631  -3.550
  152    H    LEU  22           H        LEU  22   6.313   5.265  -7.264
  153    HA   LEU  22           HA       LEU  22   5.325   2.551  -7.509
  154   1HB   LEU  22          2HB       LEU  22   5.177   4.643  -9.652
  155   2HB   LEU  22          1HB       LEU  22   4.075   3.319  -9.339
  156    HG   LEU  22           HG       LEU  22   4.374   5.721  -7.546
  157   1HD1  LEU  22          1HD1      LEU  22   2.416   5.127  -9.747
  158   2HD1  LEU  22          2HD1      LEU  22   3.540   6.480  -9.638
  159   3HD1  LEU  22          3HD1      LEU  22   2.177   6.377  -8.524
  160   1HD2  LEU  22          1HD2      LEU  22   1.880   4.268  -7.457
  161   2HD2  LEU  22          2HD2      LEU  22   2.970   4.720  -6.147
  162   3HD2  LEU  22          3HD2      LEU  22   3.250   3.233  -7.055
  163    H    LYS  23           H        LYS  23   7.259   4.734  -9.526
  164    HA   LYS  23           HA       LYS  23   8.075   2.930 -11.458
  165   1HB   LYS  23          2HB       LYS  23   8.378   5.401 -11.508
  166   2HB   LYS  23          1HB       LYS  23   9.697   5.231 -10.357
  167   1HG   LYS  23          2HG       LYS  23   9.748   3.804 -12.992
  168   2HG   LYS  23          1HG       LYS  23  10.250   5.488 -12.850
  169   1HD   LYS  23          2HD       LYS  23  11.916   4.844 -11.170
  170   2HD   LYS  23          1HD       LYS  23  11.417   3.159 -11.328
  171   1HE   LYS  23          2HE       LYS  23  13.430   3.586 -12.624
  172   2HE   LYS  23          1HE       LYS  23  12.079   3.182 -13.682
  173   1HZ   LYS  23          1HZ       LYS  23  12.413   6.007 -13.164
  174   2HZ   LYS  23          2HZ       LYS  23  12.106   5.203 -14.618
  175   3HZ   LYS  23          3HZ       LYS  23  13.688   5.295 -14.022
  176    H    ALA  24           H        ALA  24   9.310   3.437  -8.232
  177    HA   ALA  24           HA       ALA  24  11.773   2.141  -8.401
  178   1HB   ALA  24          1HB       ALA  24  11.374   1.554  -5.963
  179   2HB   ALA  24          2HB       ALA  24   9.802   2.335  -6.133
  180   3HB   ALA  24          3HB       ALA  24  11.282   3.264  -6.382
  181    H    LEU  25           H        LEU  25   8.528   0.858  -8.100
  182    HA   LEU  25           HA       LEU  25   9.208  -1.836  -7.585
  183   1HB   LEU  25          2HB       LEU  25   6.775  -0.720  -8.993
  184   2HB   LEU  25          1HB       LEU  25   6.926  -2.350  -8.368
  185    HG   LEU  25           HG       LEU  25   6.953   0.167  -6.697
  186   1HD1  LEU  25          1HD1      LEU  25   4.746   0.009  -7.269
  187   2HD1  LEU  25          2HD1      LEU  25   4.780  -1.065  -5.869
  188   3HD1  LEU  25          3HD1      LEU  25   4.815  -1.738  -7.499
  189   1HD2  LEU  25          1HD2      LEU  25   7.906  -1.117  -5.150
  190   2HD2  LEU  25          2HD2      LEU  25   7.731  -2.562  -6.146
  191   3HD2  LEU  25          3HD2      LEU  25   6.405  -2.042  -5.106
  192    H    GLY  26           H        GLY  26   8.827   0.020 -10.554
  193   1HA   GLY  26          2HA       GLY  26   8.894  -2.108 -12.390
  194   2HA   GLY  26          1HA       GLY  26   9.379  -0.453 -12.733
  195    H    ASP  27           H        ASP  27  11.423  -0.524 -10.594
  196    HA   ASP  27           HA       ASP  27  13.527  -1.757 -12.171
  197   1HB   ASP  27          2HB       ASP  27  13.877   0.512 -11.310
  198   2HB   ASP  27          1HB       ASP  27  13.668  -0.071  -9.660
  199    H    ILE  28           H        ILE  28  11.747  -2.288  -9.258
  200    HA   ILE  28           HA       ILE  28  13.490  -3.974  -7.863
  201    HB   ILE  28           HB       ILE  28  10.480  -3.844  -7.938
  202   1HG1  ILE  28          2HG1      ILE  28  12.493  -2.990  -5.845
  203   2HG1  ILE  28          1HG1      ILE  28  11.709  -1.911  -6.992
  204   1HG2  ILE  28          1HG2      ILE  28  11.928  -5.281  -5.766
  205   2HG2  ILE  28          2HG2      ILE  28  11.570  -6.125  -7.272
  206   3HG2  ILE  28          3HG2      ILE  28  10.258  -5.445  -6.308
  207   1HD1  ILE  28          1HD1      ILE  28   9.705  -3.389  -5.624
  208   2HD1  ILE  28          2HD1      ILE  28  10.015  -1.653  -5.606
  209   3HD1  ILE  28          3HD1      ILE  28  10.822  -2.706  -4.443
  210    HA   PRO  29           HA       PRO  29  13.766  -7.597 -10.371
  211   1HB   PRO  29          2HB       PRO  29  14.104  -9.471  -8.392
  212   2HB   PRO  29          1HB       PRO  29  15.388  -8.421  -9.001
  213   1HG   PRO  29          2HG       PRO  29  13.689  -8.116  -6.555
  214   2HG   PRO  29          1HG       PRO  29  15.431  -7.841  -6.752
  215   1HD   PRO  29          2HD       PRO  29  13.690  -5.800  -6.707
  216   2HD   PRO  29          1HD       PRO  29  15.114  -5.781  -7.767
  217    H    GLU  30           H        GLU  30  12.378  -8.934 -11.286
  218    HA   GLU  30           HA       GLU  30  10.538 -10.175 -11.732
  219   1HB   GLU  30          2HB       GLU  30  10.312 -10.619  -8.761
  220   2HB   GLU  30          1HB       GLU  30   9.722 -11.658 -10.052
  221   1HG   GLU  30          2HG       GLU  30  12.162 -11.861 -10.746
  222   2HG   GLU  30          1HG       GLU  30  12.540 -11.182  -9.170
  223    H    SER  31           H        SER  31  10.374  -7.305 -10.281
  224    HA   SER  31           HA       SER  31   7.446  -7.368  -9.979
  225   1HB   SER  31          2HB       SER  31   9.397  -5.297  -8.949
  226   2HB   SER  31          1HB       SER  31   7.658  -5.327  -8.658
  227    HG   SER  31           HG       SER  31   9.208  -7.561  -7.973
  228    H    HIS  32           H        HIS  32   6.138  -6.133 -11.220
  229    HA   HIS  32           HA       HIS  32   7.242  -3.998 -12.863
  230   1HB   HIS  32          2HB       HIS  32   7.611  -6.098 -14.163
  231   2HB   HIS  32          1HB       HIS  32   5.875  -6.369 -14.147
  232    HD1  HIS  32           1HD      HIS  32   8.128  -3.458 -15.151
  233    HD2  HIS  32           2HD      HIS  32   4.774  -5.536 -16.456
  234    HE1  HIS  32           1HE      HIS  32   7.472  -2.378 -17.325
  235    HE2  HIS  32           2HE      HIS  32   5.393  -3.600 -18.056
  236    H    ILE  33           H        ILE  33   5.826  -2.407 -12.347
  237    HA   ILE  33           HA       ILE  33   3.181  -2.843 -11.518
  238    HB   ILE  33           HB       ILE  33   4.600  -0.370 -12.470
  239   1HG1  ILE  33          2HG1      ILE  33   3.486  -1.290  -9.816
  240   2HG1  ILE  33          1HG1      ILE  33   5.185  -1.265 -10.277
  241   1HG2  ILE  33          1HG2      ILE  33   1.710  -0.629 -11.647
  242   2HG2  ILE  33          2HG2      ILE  33   2.341  -0.012 -13.173
  243   3HG2  ILE  33          3HG2      ILE  33   2.591   0.898 -11.684
  244   1HD1  ILE  33          1HD1      ILE  33   3.371   1.069  -9.760
  245   2HD1  ILE  33          2HD1      ILE  33   4.938   1.233 -10.552
  246   3HD1  ILE  33          3HD1      ILE  33   4.844   0.615  -8.904
  247    H    LEU  34           H        LEU  34   1.293  -2.992 -12.512
  248    HA   LEU  34           HA       LEU  34   1.275  -2.877 -15.451
  249   1HB   LEU  34          2HB       LEU  34   0.778  -5.077 -14.549
  250   2HB   LEU  34          1HB       LEU  34  -0.485  -4.406 -13.533
  251    HG   LEU  34           HG       LEU  34  -1.764  -3.797 -15.562
  252   1HD1  LEU  34          1HD1      LEU  34   0.473  -5.235 -16.979
  253   2HD1  LEU  34          2HD1      LEU  34   0.012  -3.542 -17.157
  254   3HD1  LEU  34          3HD1      LEU  34  -1.073  -4.814 -17.715
  255   1HD2  LEU  34          1HD2      LEU  34  -0.979  -6.705 -15.393
  256   2HD2  LEU  34          2HD2      LEU  34  -2.442  -6.069 -16.145
  257   3HD2  LEU  34          3HD2      LEU  34  -2.201  -5.904 -14.406
  258    H    THR  35           H        THR  35  -0.830  -2.252 -12.630
  259    HA   THR  35           HA       THR  35  -2.120  -0.125 -14.209
  260    HB   THR  35           HB       THR  35  -4.150  -0.511 -12.854
  261    HG1  THR  35           1HG      THR  35  -4.031  -1.694 -11.147
  262   1HG2  THR  35          1HG2      THR  35  -3.545  -1.875 -15.006
  263   2HG2  THR  35          2HG2      THR  35  -4.960  -2.281 -14.036
  264   3HG2  THR  35          3HG2      THR  35  -3.476  -3.217 -13.865
  265    H    VAL  36           H        VAL  36  -2.533   1.837 -13.220
  266    HA   VAL  36           HA       VAL  36  -1.376   2.211 -10.537
  267    HB   VAL  36           HB       VAL  36  -1.117   4.115 -12.871
  268   1HG1  VAL  36          1HG1      VAL  36   0.588   5.083 -11.067
  269   2HG1  VAL  36          2HG1      VAL  36  -0.594   4.375  -9.965
  270   3HG1  VAL  36          3HG1      VAL  36  -1.100   5.588 -11.140
  271   1HG2  VAL  36          1HG2      VAL  36   0.441   2.458 -13.313
  272   2HG2  VAL  36          2HG2      VAL  36   0.762   2.160 -11.605
  273   3HG2  VAL  36          3HG2      VAL  36   1.379   3.621 -12.378
  274    H    SER  37           H        SER  37  -2.685   3.165  -9.120
  275    HA   SER  37           HA       SER  37  -5.325   3.957  -9.863
  276   1HB   SER  37          2HB       SER  37  -5.645   4.398  -7.486
  277   2HB   SER  37          1HB       SER  37  -4.777   2.880  -7.690
  278    HG   SER  37           HG       SER  37  -3.410   5.315  -7.299
  279    H    SER  38           H        SER  38  -5.797   6.188  -8.209
  280    HA   SER  38           HA       SER  38  -4.376   8.263  -9.731
  281   1HB   SER  38          2HB       SER  38  -7.086   8.376  -8.382
  282   2HB   SER  38          1HB       SER  38  -6.329   9.708  -9.253
  283    HG   SER  38           HG       SER  38  -7.886   8.326 -10.439
  284    H    PHE  39           H        PHE  39  -4.667  10.484  -8.381
  285    HA   PHE  39           HA       PHE  39  -3.126  10.024  -5.966
  286   1HB   PHE  39          2HB       PHE  39  -3.085  12.670  -6.128
  287   2HB   PHE  39          1HB       PHE  39  -2.041  11.667  -7.126
  288    HD1  PHE  39           1HD      PHE  39  -1.780  12.492  -9.227
  289    HD2  PHE  39           2HD      PHE  39  -5.596  12.839  -7.377
  290    HE1  PHE  39           1HE      PHE  39  -2.665  13.558 -11.259
  291    HE2  PHE  39           2HE      PHE  39  -6.489  13.901  -9.405
  292    HZ   PHE  39           HZ       PHE  39  -5.024  14.263 -11.350
  293    H    TYR  40           H        TYR  40  -4.363   9.559  -4.258
  294    HA   TYR  40           HA       TYR  40  -6.716  11.250  -3.750
  295   1HB   TYR  40          2HB       TYR  40  -6.039   8.549  -2.567
  296   2HB   TYR  40          1HB       TYR  40  -7.505   9.469  -2.258
  297    HD1  TYR  40           1HD      TYR  40  -5.591   7.841  -5.004
  298    HD2  TYR  40           2HD      TYR  40  -9.391   9.147  -3.600
  299    HE1  TYR  40           1HE      TYR  40  -6.672   6.745  -6.923
  300    HE2  TYR  40           2HE      TYR  40 -10.481   8.050  -5.511
  301    HH   TYR  40           HH       TYR  40  -9.874   7.322  -7.808
  302    H    ARG  41           H        ARG  41  -7.022  12.186  -1.718
  303    HA   ARG  41           HA       ARG  41  -4.619  12.251  -0.023
  304   1HB   ARG  41          2HB       ARG  41  -5.029  14.385  -1.207
  305   2HB   ARG  41          1HB       ARG  41  -6.615  14.481  -0.462
  306   1HG   ARG  41          2HG       ARG  41  -4.175  14.268   1.246
  307   2HG   ARG  41          1HG       ARG  41  -4.633  15.819   0.541
  308   1HD   ARG  41          2HD       ARG  41  -6.863  15.594   1.583
  309   2HD   ARG  41          1HD       ARG  41  -6.339  14.088   2.330
  310    HE   ARG  41           HE       ARG  41  -5.379  15.341   3.963
  311   1HH1  ARG  41          1HH1      ARG  41  -5.557  17.288   1.074
  312   2HH1  ARG  41          2HH1      ARG  41  -4.877  18.692   1.828
  313   1HH2  ARG  41          1HH2      ARG  41  -4.489  17.185   4.957
  314   2HH2  ARG  41          2HH2      ARG  41  -4.270  18.633   4.033
  315    H    THR  42           H        THR  42  -4.875  11.935   2.150
  316    HA   THR  42           HA       THR  42  -7.441  12.072   3.430
  317    HB   THR  42           HB       THR  42  -7.791   9.976   2.321
  318    HG1  THR  42           1HG      THR  42  -7.133   8.763   4.632
  319   1HG2  THR  42          1HG2      THR  42  -5.197   9.574   2.153
  320   2HG2  THR  42          2HG2      THR  42  -6.350   8.238   2.128
  321   3HG2  THR  42          3HG2      THR  42  -5.491   8.635   3.618
  322    HA   PRO  43           HA       PRO  43  -5.250  12.766   7.191
  323   1HB   PRO  43          2HB       PRO  43  -6.828  10.462   8.267
  324   2HB   PRO  43          1HB       PRO  43  -6.560  12.063   8.965
  325   1HG   PRO  43          2HG       PRO  43  -8.861  11.470   7.763
  326   2HG   PRO  43          1HG       PRO  43  -8.125  13.074   7.587
  327   1HD   PRO  43          2HD       PRO  43  -8.301  10.845   5.629
  328   2HD   PRO  43          1HD       PRO  43  -8.226  12.595   5.350
  329    HA   PRO  44           HA       PRO  44  -1.868   9.829   6.338
  330   1HB   PRO  44          2HB       PRO  44  -0.978  11.450   8.693
  331   2HB   PRO  44          1HB       PRO  44  -0.045  10.903   7.292
  332   1HG   PRO  44          2HG       PRO  44  -0.935  13.385   7.367
  333   2HG   PRO  44          1HG       PRO  44  -1.046  12.454   5.861
  334   1HD   PRO  44          2HD       PRO  44  -3.183  13.207   7.789
  335   2HD   PRO  44          1HD       PRO  44  -3.272  12.988   6.030
  336    H    LEU  45           H        LEU  45  -2.737  10.615   9.715
  337    HA   LEU  45           HA       LEU  45  -3.127   9.300  11.526
  338   1HB   LEU  45          2HB       LEU  45  -3.345   7.081   9.481
  339   2HB   LEU  45          1HB       LEU  45  -3.729   6.903  11.181
  340    HG   LEU  45           HG       LEU  45  -5.152   8.766   9.277
  341   1HD1  LEU  45          1HD1      LEU  45  -6.841   7.206   9.060
  342   2HD1  LEU  45          2HD1      LEU  45  -6.356   6.325  10.510
  343   3HD1  LEU  45          3HD1      LEU  45  -5.400   6.190   9.033
  344   1HD2  LEU  45          1HD2      LEU  45  -4.966   9.037  11.961
  345   2HD2  LEU  45          2HD2      LEU  45  -6.370   7.977  11.836
  346   3HD2  LEU  45          3HD2      LEU  45  -6.365   9.535  11.012
  347    H    GLY  46           H        GLY  46  -1.680   8.762  12.996
  348   1HA   GLY  46          2HA       GLY  46   0.023   7.156  13.729
  349   2HA   GLY  46          1HA       GLY  46   0.716   7.270  12.118
  350    HA   PRO  47           HA       PRO  47   2.868  10.515  14.524
  351   1HB   PRO  47          2HB       PRO  47   5.099   9.253  15.186
  352   2HB   PRO  47          1HB       PRO  47   3.589   8.909  16.030
  353   1HG   PRO  47          2HG       PRO  47   5.095   7.228  14.138
  354   2HG   PRO  47          1HG       PRO  47   3.858   6.757  15.314
  355   1HD   PRO  47          2HD       PRO  47   3.563   7.318  12.458
  356   2HD   PRO  47          1HD       PRO  47   2.395   6.588  13.582
  357    H    GLN  48           H        GLN  48   3.186  11.749  12.513
  358    HA   GLN  48           HA       GLN  48   5.935  11.800  11.743
  359   1HB   GLN  48          2HB       GLN  48   5.968  10.962   9.662
  360   2HB   GLN  48          1HB       GLN  48   4.579  10.051  10.197
  361   1HG   GLN  48          2HG       GLN  48   4.371  12.700   8.797
  362   2HG   GLN  48          1HG       GLN  48   4.437  11.173   7.945
  363   1HE2  GLN  48          1HE2      GLN  48   2.767  10.196  10.479
  364   2HE2  GLN  48          2HE2      GLN  48   1.175  10.583   9.969
  365    H    ASP  49           H        ASP  49   2.663  12.978  11.075
  366    HA   ASP  49           HA       ASP  49   3.217  15.643  11.584
  367   1HB   ASP  49          2HB       ASP  49   4.679  15.509   9.580
  368   2HB   ASP  49          1HB       ASP  49   3.278  15.060   8.615
  369    H    GLN  50           H        GLN  50   1.441  13.401   9.608
  370    HA   GLN  50           HA       GLN  50  -0.764  13.115   9.146
  371   1HB   GLN  50          2HB       GLN  50  -1.484  15.010  11.338
  372   2HB   GLN  50          1HB       GLN  50  -2.302  13.544  10.815
  373   1HG   GLN  50          2HG       GLN  50   0.398  13.481  12.104
  374   2HG   GLN  50          1HG       GLN  50  -1.094  13.477  13.045
  375   1HE2  GLN  50          1HE2      GLN  50   1.133  11.643  11.334
  376   2HE2  GLN  50          2HE2      GLN  50   0.314  10.127  11.393
  377    HA   PRO  51           HA       PRO  51  -1.314  17.454   7.484
  378   1HB   PRO  51          2HB       PRO  51   0.393  17.576   5.379
  379   2HB   PRO  51          1HB       PRO  51   0.839  18.050   7.019
  380   1HG   PRO  51          2HG       PRO  51   1.706  15.738   5.469
  381   2HG   PRO  51          1HG       PRO  51   2.392  16.405   6.952
  382   1HD   PRO  51          2HD       PRO  51   0.619  14.132   6.610
  383   2HD   PRO  51          1HD       PRO  51   1.478  14.669   8.068
  384    H    ASP  52           H        ASP  52  -0.145  15.959   4.556
  385    HA   ASP  52           HA       ASP  52  -2.889  15.321   3.727
  386   1HB   ASP  52          2HB       ASP  52  -2.204  16.226   1.444
  387   2HB   ASP  52          1HB       ASP  52  -2.476  17.421   2.710
  388    H    TYR  53           H        TYR  53  -2.305  13.132   4.179
  389    HA   TYR  53           HA       TYR  53  -0.136  11.825   2.898
  390   1HB   TYR  53          2HB       TYR  53  -0.793  10.788   4.844
  391   2HB   TYR  53          1HB       TYR  53  -2.501  11.037   4.530
  392    HD1  TYR  53           1HD      TYR  53  -3.643   9.023   4.392
  393    HD2  TYR  53           2HD      TYR  53   0.268   9.296   2.759
  394    HE1  TYR  53           1HE      TYR  53  -3.807   6.692   3.618
  395    HE2  TYR  53           2HE      TYR  53   0.118   6.966   1.981
  396    HH   TYR  53           HH       TYR  53  -1.060   5.031   2.187
  397    H    LEU  54           H        LEU  54  -0.027  11.637   0.740
  398    HA   LEU  54           HA       LEU  54  -2.418  11.356  -0.861
  399   1HB   LEU  54          2HB       LEU  54  -0.363  12.608  -1.604
  400   2HB   LEU  54          1HB       LEU  54   0.464  11.067  -1.725
  401    HG   LEU  54           HG       LEU  54  -1.257  10.363  -3.420
  402   1HD1  LEU  54          1HD1      LEU  54  -2.091  12.906  -4.293
  403   2HD1  LEU  54          2HD1      LEU  54  -2.464  12.804  -2.572
  404   3HD1  LEU  54          3HD1      LEU  54  -3.085  11.582  -3.683
  405   1HD2  LEU  54          1HD2      LEU  54   0.461  12.774  -3.980
  406   2HD2  LEU  54          2HD2      LEU  54  -0.324  11.808  -5.228
  407   3HD2  LEU  54          3HD2      LEU  54   0.894  11.076  -4.182
  408    H    ASN  55           H        ASN  55  -3.439   9.460  -0.839
  409    HA   ASN  55           HA       ASN  55  -1.857   6.995  -0.643
  410   1HB   ASN  55          2HB       ASN  55  -3.960   5.904   0.003
  411   2HB   ASN  55          1HB       ASN  55  -3.612   7.281   1.045
  412   1HD2  ASN  55          1HD2      ASN  55  -5.994   5.750  -0.560
  413   2HD2  ASN  55          2HD2      ASN  55  -7.096   7.059  -0.788
  414    H    ALA  56           H        ALA  56  -1.948   5.405  -2.146
  415    HA   ALA  56           HA       ALA  56  -3.867   5.280  -4.236
  416   1HB   ALA  56          1HB       ALA  56  -2.660   7.230  -5.052
  417   2HB   ALA  56          2HB       ALA  56  -2.402   5.850  -6.117
  418   3HB   ALA  56          3HB       ALA  56  -1.142   6.337  -4.984
  419    H    ALA  57           H        ALA  57  -4.027   3.092  -4.064
  420    HA   ALA  57           HA       ALA  57  -1.707   1.424  -3.717
  421   1HB   ALA  57          1HB       ALA  57  -4.086   0.032  -4.609
  422   2HB   ALA  57          2HB       ALA  57  -4.428   1.136  -3.278
  423   3HB   ALA  57          3HB       ALA  57  -3.197  -0.113  -3.093
  424    H    VAL  58           H        VAL  58  -1.200  -0.386  -5.256
  425    HA   VAL  58           HA       VAL  58  -1.970   0.079  -8.021
  426    HB   VAL  58           HB       VAL  58   0.410   0.086  -8.800
  427   1HG1  VAL  58          1HG1      VAL  58   0.802   2.498  -8.229
  428   2HG1  VAL  58          2HG1      VAL  58  -0.591   2.399  -7.152
  429   3HG1  VAL  58          3HG1      VAL  58  -0.795   2.138  -8.884
  430   1HG2  VAL  58          1HG2      VAL  58   0.871  -0.140  -5.951
  431   2HG2  VAL  58          2HG2      VAL  58   1.741   1.226  -6.649
  432   3HG2  VAL  58          3HG2      VAL  58   1.981  -0.395  -7.297
  433    H    ALA  59           H        ALA  59  -2.215  -1.808  -9.062
  434    HA   ALA  59           HA       ALA  59  -1.485  -4.255  -7.743
  435   1HB   ALA  59          1HB       ALA  59  -3.525  -4.369  -8.879
  436   2HB   ALA  59          2HB       ALA  59  -2.412  -5.246  -9.929
  437   3HB   ALA  59          3HB       ALA  59  -2.872  -3.590 -10.319
  438    H    LEU  60           H        LEU  60   0.760  -4.215  -7.658
  439    HA   LEU  60           HA       LEU  60   2.415  -3.840  -9.940
  440   1HB   LEU  60          2HB       LEU  60   3.284  -3.394  -7.741
  441   2HB   LEU  60          1HB       LEU  60   2.954  -5.036  -7.227
  442    HG   LEU  60           HG       LEU  60   4.663  -5.831  -8.890
  443   1HD1  LEU  60          1HD1      LEU  60   4.501  -3.151  -9.756
  444   2HD1  LEU  60          2HD1      LEU  60   5.518  -4.445 -10.388
  445   3HD1  LEU  60          3HD1      LEU  60   6.122  -3.396  -9.106
  446   1HD2  LEU  60          1HD2      LEU  60   6.368  -4.141  -7.338
  447   2HD2  LEU  60          2HD2      LEU  60   6.025  -5.859  -7.142
  448   3HD2  LEU  60          3HD2      LEU  60   5.003  -4.662  -6.352
  449    H    GLU  61           H        GLU  61   2.623  -5.206 -11.573
  450    HA   GLU  61           HA       GLU  61   1.836  -7.965 -11.360
  451   1HB   GLU  61          2HB       GLU  61   1.639  -6.472 -13.433
  452   2HB   GLU  61          1HB       GLU  61   3.372  -6.687 -13.623
  453   1HG   GLU  61          2HG       GLU  61   3.084  -9.087 -13.822
  454   2HG   GLU  61          1HG       GLU  61   1.347  -8.906 -13.595
  455    H    THR  62           H        THR  62   3.207  -8.859  -9.820
  456    HA   THR  62           HA       THR  62   5.984  -9.189 -10.711
  457    HB   THR  62           HB       THR  62   6.039  -7.498  -9.000
  458    HG1  THR  62           1HG      THR  62   7.757  -8.693  -8.615
  459   1HG2  THR  62          1HG2      THR  62   3.818  -8.384  -7.947
  460   2HG2  THR  62          2HG2      THR  62   5.020  -7.552  -6.961
  461   3HG2  THR  62          3HG2      THR  62   4.921  -9.312  -6.931
  462    H    SER  63           H        SER  63   7.068 -11.008  -9.931
  463    HA   SER  63           HA       SER  63   5.322 -13.172  -8.958
  464   1HB   SER  63          2HB       SER  63   7.669 -13.391 -10.869
  465   2HB   SER  63          1HB       SER  63   6.732 -14.747 -10.243
  466    HG   SER  63           HG       SER  63   6.072 -14.013 -12.351
  467    H    LEU  64           H        LEU  64   7.473 -11.073  -8.001
  468    HA   LEU  64           HA       LEU  64   9.644 -12.454  -6.918
  469   1HB   LEU  64          2HB       LEU  64   9.061  -9.897  -7.057
  470   2HB   LEU  64          1HB       LEU  64   8.360 -10.162  -5.476
  471    HG   LEU  64           HG       LEU  64  10.724  -9.255  -5.520
  472   1HD1  LEU  64          1HD1      LEU  64  10.722  -9.966  -3.428
  473   2HD1  LEU  64          2HD1      LEU  64  11.218 -11.570  -3.962
  474   3HD1  LEU  64          3HD1      LEU  64   9.505 -11.174  -3.835
  475   1HD2  LEU  64          1HD2      LEU  64  12.536 -10.639  -6.037
  476   2HD2  LEU  64          2HD2      LEU  64  11.407 -10.859  -7.373
  477   3HD2  LEU  64          3HD2      LEU  64  11.527 -12.084  -6.108
  478    H    ALA  65           H        ALA  65  10.036 -13.131  -4.713
  479    HA   ALA  65           HA       ALA  65   8.135 -14.890  -3.710
  480   1HB   ALA  65          1HB       ALA  65  10.785 -14.045  -3.010
  481   2HB   ALA  65          2HB       ALA  65   9.970 -15.571  -2.662
  482   3HB   ALA  65          3HB       ALA  65   9.799 -14.208  -1.556
  483    HA   PRO  66           HA       PRO  66   5.160 -12.300  -1.677
  484   1HB   PRO  66          2HB       PRO  66   4.940 -14.519   0.257
  485   2HB   PRO  66          1HB       PRO  66   3.699 -13.765  -0.737
  486   1HG   PRO  66          2HG       PRO  66   4.724 -16.220  -1.246
  487   2HG   PRO  66          1HG       PRO  66   4.084 -15.155  -2.507
  488   1HD   PRO  66          2HD       PRO  66   6.877 -15.873  -1.880
  489   2HD   PRO  66          1HD       PRO  66   6.169 -15.304  -3.403
  490    H    GLU  67           H        GLU  67   7.867 -13.765  -0.076
  491    HA   GLU  67           HA       GLU  67   7.457 -12.183   2.325
  492   1HB   GLU  67          2HB       GLU  67   9.634 -13.416   2.998
  493   2HB   GLU  67          1HB       GLU  67   8.123 -14.314   2.920
  494   1HG   GLU  67          2HG       GLU  67   8.706 -15.226   0.785
  495   2HG   GLU  67          1HG       GLU  67  10.141 -14.214   0.700
  496    H    GLU  68           H        GLU  68   9.602 -12.313  -0.452
  497    HA   GLU  68           HA       GLU  68  11.294 -10.244   0.678
  498   1HB   GLU  68          2HB       GLU  68  12.358 -11.996  -0.640
  499   2HB   GLU  68          1HB       GLU  68  11.386 -11.556  -2.038
  500   1HG   GLU  68          2HG       GLU  68  12.441  -9.354  -2.085
  501   2HG   GLU  68          1HG       GLU  68  13.412  -9.791  -0.681
  502    H    LEU  69           H        LEU  69   8.542 -10.495  -1.360
  503    HA   LEU  69           HA       LEU  69   8.783  -8.198  -2.919
  504   1HB   LEU  69          2HB       LEU  69   7.080  -9.945  -3.183
  505   2HB   LEU  69          1HB       LEU  69   6.274  -9.393  -1.744
  506    HG   LEU  69           HG       LEU  69   5.104  -8.664  -3.751
  507   1HD1  LEU  69          1HD1      LEU  69   4.810  -6.372  -3.240
  508   2HD1  LEU  69          2HD1      LEU  69   6.418  -6.255  -2.526
  509   3HD1  LEU  69          3HD1      LEU  69   5.161  -7.198  -1.723
  510   1HD2  LEU  69          1HD2      LEU  69   6.807  -6.665  -4.774
  511   2HD2  LEU  69          2HD2      LEU  69   6.210  -8.116  -5.579
  512   3HD2  LEU  69          3HD2      LEU  69   7.736  -8.162  -4.696
  513    H    LEU  70           H        LEU  70   6.889  -8.501   0.116
  514    HA   LEU  70           HA       LEU  70   6.574  -5.725   0.456
  515   1HB   LEU  70          2HB       LEU  70   5.184  -7.254   1.704
  516   2HB   LEU  70          1HB       LEU  70   6.586  -7.958   2.488
  517    HG   LEU  70           HG       LEU  70   5.984  -5.052   2.899
  518   1HD1  LEU  70          1HD1      LEU  70   4.569  -5.570   4.777
  519   2HD1  LEU  70          2HD1      LEU  70   4.743  -7.299   4.479
  520   3HD1  LEU  70          3HD1      LEU  70   3.881  -6.288   3.320
  521   1HD2  LEU  70          1HD2      LEU  70   6.967  -5.627   5.140
  522   2HD2  LEU  70          2HD2      LEU  70   8.072  -5.788   3.773
  523   3HD2  LEU  70          3HD2      LEU  70   7.339  -7.223   4.486
  524    H    ASN  71           H        ASN  71   8.989  -7.987   1.653
  525    HA   ASN  71           HA       ASN  71  10.412  -6.277   3.298
  526   1HB   ASN  71          2HB       ASN  71  10.790  -8.704   3.203
  527   2HB   ASN  71          1HB       ASN  71  11.551  -8.518   1.624
  528   1HD2  ASN  71          1HD2      ASN  71  12.017  -8.543   4.943
  529   2HD2  ASN  71          2HD2      ASN  71  13.632  -7.936   4.982
  530    H    HIS  72           H        HIS  72  10.711  -6.675  -0.236
  531    HA   HIS  72           HA       HIS  72  12.944  -4.880  -0.307
  532   1HB   HIS  72          2HB       HIS  72  12.931  -5.132  -2.682
  533   2HB   HIS  72          1HB       HIS  72  12.698  -6.708  -1.965
  534    HD1  HIS  72           1HD      HIS  72  10.142  -4.050  -2.936
  535    HD2  HIS  72           2HD      HIS  72  11.122  -8.014  -3.687
  536    HE1  HIS  72           1HE      HIS  72   8.361  -4.898  -4.494
  537    HE2  HIS  72           2HE      HIS  72   9.065  -7.251  -5.052
  538    H    THR  73           H        THR  73   9.460  -4.707  -0.823
  539    HA   THR  73           HA       THR  73   9.370  -2.120  -1.930
  540    HB   THR  73           HB       THR  73   7.103  -1.934  -0.981
  541    HG1  THR  73           1HG      THR  73   6.307  -3.627   0.298
  542   1HG2  THR  73          1HG2      THR  73   6.832  -4.698  -1.722
  543   2HG2  THR  73          2HG2      THR  73   7.903  -3.835  -2.825
  544   3HG2  THR  73          3HG2      THR  73   6.267  -3.244  -2.544
  545    H    GLN  74           H        GLN  74   9.992  -3.284   1.280
  546    HA   GLN  74           HA       GLN  74   9.646  -0.851   2.699
  547   1HB   GLN  74          2HB       GLN  74  11.532  -3.132   3.352
  548   2HB   GLN  74          1HB       GLN  74  10.967  -1.896   4.468
  549   1HG   GLN  74          2HG       GLN  74   9.315  -4.055   3.181
  550   2HG   GLN  74          1HG       GLN  74   9.825  -3.975   4.859
  551   1HE2  GLN  74          1HE2      GLN  74   9.234  -0.895   4.356
  552   2HE2  GLN  74          2HE2      GLN  74   7.551  -0.805   4.718
  553    H    ARG  75           H        ARG  75  12.269  -2.307   0.907
  554    HA   ARG  75           HA       ARG  75  14.350  -0.603   1.703
  555   1HB   ARG  75          2HB       ARG  75  14.900  -2.642   0.607
  556   2HB   ARG  75          1HB       ARG  75  13.923  -2.240  -0.796
  557   1HG   ARG  75          2HG       ARG  75  16.282  -2.014  -1.292
  558   2HG   ARG  75          1HG       ARG  75  15.487  -0.441  -1.356
  559   1HD   ARG  75          2HD       ARG  75  17.641  -0.294  -0.218
  560   2HD   ARG  75          1HD       ARG  75  16.314   0.083   0.876
  561    HE   ARG  75           HE       ARG  75  17.036  -1.628   2.180
  562   1HH1  ARG  75          1HH1      ARG  75  18.010  -2.305  -1.100
  563   2HH1  ARG  75          2HH1      ARG  75  18.821  -3.779  -0.688
  564   1HH2  ARG  75          1HH2      ARG  75  18.104  -3.559   2.727
  565   2HH2  ARG  75          2HH2      ARG  75  18.876  -4.491   1.487
  566    H    ILE  76           H        ILE  76  11.719  -0.129  -0.513
  567    HA   ILE  76           HA       ILE  76  12.853   1.952  -2.059
  568    HB   ILE  76           HB       ILE  76   9.935   1.499  -1.383
  569   1HG1  ILE  76          2HG1      ILE  76  11.597   0.581  -3.744
  570   2HG1  ILE  76          1HG1      ILE  76  10.958  -0.450  -2.470
  571   1HG2  ILE  76          1HG2      ILE  76   9.601   2.755  -3.551
  572   2HG2  ILE  76          2HG2      ILE  76  11.299   3.214  -3.448
  573   3HG2  ILE  76          3HG2      ILE  76  10.174   3.715  -2.188
  574   1HD1  ILE  76          1HD1      ILE  76   9.734   0.364  -4.903
  575   2HD1  ILE  76          2HD1      ILE  76   8.777   0.961  -3.549
  576   3HD1  ILE  76          3HD1      ILE  76   9.139  -0.758  -3.679
  577    H    GLU  77           H        GLU  77  11.389   1.748   1.059
  578    HA   GLU  77           HA       GLU  77  10.812   4.449   1.537
  579   1HB   GLU  77          2HB       GLU  77  11.665   2.271   3.453
  580   2HB   GLU  77          1HB       GLU  77  10.983   3.812   3.925
  581   1HG   GLU  77          2HG       GLU  77   8.917   3.263   2.733
  582   2HG   GLU  77          1HG       GLU  77   9.605   1.699   2.299
  583    H    LEU  78           H        LEU  78  13.766   2.589   1.709
  584    HA   LEU  78           HA       LEU  78  15.272   4.756   2.903
  585   1HB   LEU  78          2HB       LEU  78  16.199   2.105   1.795
  586   2HB   LEU  78          1HB       LEU  78  17.190   3.236   2.698
  587    HG   LEU  78           HG       LEU  78  14.789   1.752   3.772
  588   1HD1  LEU  78          1HD1      LEU  78  17.719   1.417   4.392
  589   2HD1  LEU  78          2HD1      LEU  78  16.771   0.342   3.365
  590   3HD1  LEU  78          3HD1      LEU  78  16.381   0.497   5.080
  591   1HD2  LEU  78          1HD2      LEU  78  14.750   3.230   5.426
  592   2HD2  LEU  78          2HD2      LEU  78  16.053   4.139   4.663
  593   3HD2  LEU  78          3HD2      LEU  78  16.428   2.849   5.806
  594    H    GLN  79           H        GLN  79  14.753   3.299  -0.241
  595    HA   GLN  79           HA       GLN  79  16.873   4.562  -1.610
  596   1HB   GLN  79          2HB       GLN  79  14.198   3.662  -2.696
  597   2HB   GLN  79          1HB       GLN  79  15.630   4.016  -3.653
  598   1HG   GLN  79          2HG       GLN  79  16.804   2.180  -2.474
  599   2HG   GLN  79          1HG       GLN  79  15.296   1.793  -1.658
  600   1HE2  GLN  79          1HE2      GLN  79  14.426   2.862  -4.629
  601   2HE2  GLN  79          2HE2      GLN  79  14.355   1.357  -5.472
  602    H    GLN  80           H        GLN  80  13.825   5.680  -0.473
  603    HA   GLN  80           HA       GLN  80  14.015   8.129  -2.075
  604   1HB   GLN  80          2HB       GLN  80  11.859   6.861  -2.059
  605   2HB   GLN  80          1HB       GLN  80  11.743   7.151  -0.330
  606   1HG   GLN  80          2HG       GLN  80  10.344   8.698  -1.535
  607   2HG   GLN  80          1HG       GLN  80  11.661   9.560  -0.743
  608   1HE2  GLN  80          1HE2      GLN  80   9.973   9.180  -3.567
  609   2HE2  GLN  80          2HE2      GLN  80  11.085   9.926  -4.659
  610    H    GLY  81           H        GLY  81  14.975   6.888   0.814
  611   1HA   GLY  81          2HA       GLY  81  15.928   7.874   2.658
  612   2HA   GLY  81          1HA       GLY  81  15.682   9.433   1.882
  613    H    ARG  82           H        ARG  82  14.110   6.928   3.839
  614    HA   ARG  82           HA       ARG  82  11.934   8.719   4.455
  615   1HB   ARG  82          2HB       ARG  82  11.073   6.596   4.228
  616   2HB   ARG  82          1HB       ARG  82  12.526   5.827   4.859
  617   1HG   ARG  82          2HG       ARG  82  11.955   6.668   7.076
  618   2HG   ARG  82          1HG       ARG  82  10.429   7.286   6.436
  619   1HD   ARG  82          2HD       ARG  82   9.993   5.161   7.458
  620   2HD   ARG  82          1HD       ARG  82   9.882   4.961   5.712
  621    HE   ARG  82           HE       ARG  82  12.482   4.333   6.408
  622   1HH1  ARG  82          1HH1      ARG  82   9.287   3.155   7.135
  623   2HH1  ARG  82          2HH1      ARG  82   9.801   1.515   7.356
  624   1HH2  ARG  82          1HH2      ARG  82  13.170   2.180   6.701
  625   2HH2  ARG  82          2HH2      ARG  82  12.010   0.962   7.110
  626    H    VAL  83           H        VAL  83  12.226  10.163   5.975
  627    HA   VAL  83           HA       VAL  83  14.289   9.873   7.965
  628    HB   VAL  83           HB       VAL  83  12.243  12.063   7.833
  629   1HG1  VAL  83          1HG1      VAL  83  13.528  12.127   9.832
  630   2HG1  VAL  83          2HG1      VAL  83  14.156  13.385   8.767
  631   3HG1  VAL  83          3HG1      VAL  83  15.028  11.863   8.946
  632   1HG2  VAL  83          1HG2      VAL  83  14.782  12.656   6.556
  633   2HG2  VAL  83          2HG2      VAL  83  13.138  12.937   5.982
  634   3HG2  VAL  83          3HG2      VAL  83  13.903  11.362   5.737
  635    H    ARG  84           H        ARG  84  13.945   9.862  10.211
  636    HA   ARG  84           HA       ARG  84  12.856   9.479  12.203
  637   1HB   ARG  84          2HB       ARG  84  10.361   9.168  10.516
  638   2HB   ARG  84          1HB       ARG  84  10.409   9.029  12.267
  639   1HG   ARG  84          2HG       ARG  84  11.081  11.344  12.466
  640   2HG   ARG  84          1HG       ARG  84  11.138  11.498  10.708
  641   1HD   ARG  84          2HD       ARG  84   8.749  10.997  10.587
  642   2HD   ARG  84          1HD       ARG  84   8.691  10.844  12.343
  643    HE   ARG  84           HE       ARG  84   8.510  13.236  10.876
  644   1HH1  ARG  84          1HH1      ARG  84  10.022  11.950  13.744
  645   2HH1  ARG  84          2HH1      ARG  84  10.081  13.481  14.551
  646   1HH2  ARG  84          1HH2      ARG  84   8.580  15.249  11.937
  647   2HH2  ARG  84          2HH2      ARG  84   9.262  15.353  13.524
  648    H    LYS  85           H        LYS  85  12.558   7.590   9.354
  649    HA   LYS  85           HA       LYS  85  12.832   5.401   8.907
  650   1HB   LYS  85          2HB       LYS  85  13.913   5.341  11.712
  651   2HB   LYS  85          1HB       LYS  85  14.102   4.050  10.531
  652   1HG   LYS  85          2HG       LYS  85  15.359   5.543   9.080
  653   2HG   LYS  85          1HG       LYS  85  15.129   6.868  10.225
  654   1HD   LYS  85          2HD       LYS  85  16.390   5.648  11.912
  655   2HD   LYS  85          1HD       LYS  85  16.575   4.281  10.813
  656   1HE   LYS  85          2HE       LYS  85  18.593   5.663  10.880
  657   2HE   LYS  85          1HE       LYS  85  17.856   5.666   9.279
  658   1HZ   LYS  85          1HZ       LYS  85  18.193   7.839  11.164
  659   2HZ   LYS  85          2HZ       LYS  85  16.689   7.793  10.393
  660   3HZ   LYS  85          3HZ       LYS  85  18.107   7.873   9.475
  661    H    ALA  86           H        ALA  86  12.067   5.003  12.345
  662    HA   ALA  86           HA       ALA  86  10.399   2.829  12.014
  663   1HB   ALA  86          1HB       ALA  86  10.706   4.870  14.159
  664   2HB   ALA  86          2HB       ALA  86  11.006   3.132  14.201
  665   3HB   ALA  86          3HB       ALA  86   9.351   3.743  14.244
  666    H    GLU  87           H        GLU  87   8.673   2.685  10.800
  667    HA   GLU  87           HA       GLU  87   6.631   4.803  10.937
  668   1HB   GLU  87          2HB       GLU  87   7.663   5.010   8.789
  669   2HB   GLU  87          1HB       GLU  87   7.594   3.274   8.514
  670   1HG   GLU  87          2HG       GLU  87   5.118   4.931   8.836
  671   2HG   GLU  87          1HG       GLU  87   5.926   4.749   7.281
  672    H    ARG  88           H        ARG  88   5.025   3.949  12.117
  673    HA   ARG  88           HA       ARG  88   4.336   1.123  11.698
  674   1HB   ARG  88          2HB       ARG  88   3.469   2.976  13.927
  675   2HB   ARG  88          1HB       ARG  88   3.147   1.249  13.824
  676   1HG   ARG  88          2HG       ARG  88   5.575   0.825  13.927
  677   2HG   ARG  88          1HG       ARG  88   5.839   2.557  14.139
  678   1HD   ARG  88          2HD       ARG  88   4.449   2.483  16.178
  679   2HD   ARG  88          1HD       ARG  88   4.290   0.737  15.979
  680    HE   ARG  88           HE       ARG  88   7.016   1.427  16.006
  681   1HH1  ARG  88          1HH1      ARG  88   4.265   1.229  18.137
  682   2HH1  ARG  88          2HH1      ARG  88   5.222   0.960  19.554
  683   1HH2  ARG  88          1HH2      ARG  88   8.282   1.076  17.866
  684   2HH2  ARG  88          2HH2      ARG  88   7.504   0.874  19.400
  685    H    TRP  89           H        TRP  89   2.717   4.242  12.269
  686    HA   TRP  89           HA       TRP  89   0.600   3.373  10.416
  687   1HB   TRP  89          2HB       TRP  89   0.267   5.188  12.817
  688   2HB   TRP  89          1HB       TRP  89  -1.004   4.711  11.699
  689    HD1  TRP  89           HD       TRP  89  -1.941   2.202  11.903
  690    HE1  TRP  89           1HE      TRP  89  -1.867   0.504  13.834
  691    HE3  TRP  89           3HE      TRP  89   1.699   4.379  14.760
  692    HZ2  TRP  89           2HZ      TRP  89  -0.461   0.141  16.253
  693    HZ3  TRP  89           3HZ      TRP  89   2.343   3.294  16.873
  694    HH2  TRP  89           HH       TRP  89   1.284   1.221  17.604
  695    H    GLY  90           H        GLY  90   2.594   5.989  11.622
  696   1HA   GLY  90          2HA       GLY  90   1.576   8.074  10.042
  697   2HA   GLY  90          1HA       GLY  90   3.180   8.020  10.748
  698    HA   PRO  91           HA       PRO  91   2.953   6.739   6.003
  699   1HB   PRO  91          2HB       PRO  91   2.430   9.583   5.336
  700   2HB   PRO  91          1HB       PRO  91   1.794   8.116   4.582
  701   1HG   PRO  91          2HG       PRO  91   0.237   9.605   6.131
  702   2HG   PRO  91          1HG       PRO  91   0.160   7.833   6.219
  703   1HD   PRO  91          2HD       PRO  91   1.548   9.762   8.049
  704   2HD   PRO  91          1HD       PRO  91   0.552   8.351   8.461
  705    H    ARG  92           H        ARG  92   4.125   9.588   7.696
  706    HA   ARG  92           HA       ARG  92   6.091  10.734   7.635
  707   1HB   ARG  92          2HB       ARG  92   6.695   8.140   8.078
  708   2HB   ARG  92          1HB       ARG  92   7.590   8.392   6.586
  709   1HG   ARG  92          2HG       ARG  92   7.931   9.838   9.206
  710   2HG   ARG  92          1HG       ARG  92   9.087   8.797   8.379
  711   1HD   ARG  92          2HD       ARG  92   9.495  10.393   6.712
  712   2HD   ARG  92          1HD       ARG  92   8.064  11.328   7.129
  713    HE   ARG  92           HE       ARG  92   9.793  11.249   9.340
  714   1HH1  ARG  92          1HH1      ARG  92   9.632  12.634   6.151
  715   2HH1  ARG  92          2HH1      ARG  92  10.572  14.025   6.570
  716   1HH2  ARG  92          1HH2      ARG  92  11.024  13.075   9.899
  717   2HH2  ARG  92          2HH2      ARG  92  11.360  14.277   8.698
  718    H    THR  93           H        THR  93   7.943   9.122   5.413
  719    HA   THR  93           HA       THR  93   7.317  11.095   3.337
  720    HB   THR  93           HB       THR  93   9.534  10.438   2.390
  721    HG1  THR  93           1HG      THR  93   9.745   8.919   4.773
  722   1HG2  THR  93          1HG2      THR  93  10.375  12.105   3.556
  723   2HG2  THR  93          2HG2      THR  93  10.601  11.029   4.935
  724   3HG2  THR  93          3HG2      THR  93   9.095  11.928   4.757
  725    H    LEU  94           H        LEU  94   7.667   7.674   3.959
  726    HA   LEU  94           HA       LEU  94   6.087   7.082   1.577
  727   1HB   LEU  94          2HB       LEU  94   8.428   6.883   0.864
  728   2HB   LEU  94          1HB       LEU  94   8.745   5.777   2.186
  729    HG   LEU  94           HG       LEU  94   7.191   4.147   1.183
  730   1HD1  LEU  94          1HD1      LEU  94   5.730   4.752  -0.368
  731   2HD1  LEU  94          2HD1      LEU  94   7.046   5.195  -1.454
  732   3HD1  LEU  94          3HD1      LEU  94   6.379   6.389  -0.341
  733   1HD2  LEU  94          1HD2      LEU  94   9.314   3.605   0.563
  734   2HD2  LEU  94          2HD2      LEU  94   9.603   5.157  -0.224
  735   3HD2  LEU  94          3HD2      LEU  94   8.626   3.928  -1.029
  736    H    ASP  95           H        ASP  95   5.118   4.970   1.637
  737    HA   ASP  95           HA       ASP  95   5.335   3.343   3.988
  738   1HB   ASP  95          2HB       ASP  95   3.956   5.189   4.865
  739   2HB   ASP  95          1HB       ASP  95   2.798   4.945   3.563
  740    H    LEU  96           H        LEU  96   5.692   1.710   2.467
  741    HA   LEU  96           HA       LEU  96   3.269   0.892   1.028
  742   1HB   LEU  96          2HB       LEU  96   4.585   0.036  -0.801
  743   2HB   LEU  96          1HB       LEU  96   4.918   1.736  -0.569
  744    HG   LEU  96           HG       LEU  96   6.717  -0.523   0.310
  745   1HD1  LEU  96          1HD1      LEU  96   6.720  -0.391  -2.068
  746   2HD1  LEU  96          2HD1      LEU  96   8.191   0.393  -1.490
  747   3HD1  LEU  96          3HD1      LEU  96   6.825   1.370  -2.028
  748   1HD2  LEU  96          1HD2      LEU  96   6.922   2.464   0.529
  749   2HD2  LEU  96          2HD2      LEU  96   8.352   1.431   0.522
  750   3HD2  LEU  96          3HD2      LEU  96   7.136   1.246   1.786
  751    H    ASP  97           H        ASP  97   2.502  -0.661   2.244
  752    HA   ASP  97           HA       ASP  97   4.279  -2.907   2.940
  753   1HB   ASP  97          2HB       ASP  97   1.982  -1.721   4.509
  754   2HB   ASP  97          1HB       ASP  97   2.684  -3.290   4.870
  755    H    ILE  98           H        ILE  98   3.600  -4.915   2.364
  756    HA   ILE  98           HA       ILE  98   1.763  -5.268   0.362
  757    HB   ILE  98           HB       ILE  98   3.051  -7.127   2.280
  758   1HG1  ILE  98          2HG1      ILE  98   4.137  -6.510   0.200
  759   2HG1  ILE  98          1HG1      ILE  98   3.698  -8.209   0.167
  760   1HG2  ILE  98          1HG2      ILE  98   0.755  -7.951   2.341
  761   2HG2  ILE  98          2HG2      ILE  98   1.788  -9.058   1.435
  762   3HG2  ILE  98          3HG2      ILE  98   0.699  -7.965   0.579
  763   1HD1  ILE  98          1HD1      ILE  98   2.234  -5.974  -1.203
  764   2HD1  ILE  98          2HD1      ILE  98   1.733  -7.665  -1.196
  765   3HD1  ILE  98          3HD1      ILE  98   3.247  -7.197  -1.969
  766    H    MET  99           H        MET  99  -0.232  -4.782   0.310
  767    HA   MET  99           HA       MET  99  -1.910  -4.900   2.696
  768   1HB   MET  99          2HB       MET  99  -1.832  -2.881   1.180
  769   2HB   MET  99          1HB       MET  99  -2.594  -3.863  -0.062
  770   1HG   MET  99          2HG       MET  99  -4.400  -4.274   1.730
  771   2HG   MET  99          1HG       MET  99  -3.726  -2.846   2.501
  772   1HE   MET  99          1HE       MET  99  -2.669  -1.291   0.444
  773   2HE   MET  99          2HE       MET  99  -3.952  -0.120   0.743
  774   3HE   MET  99          3HE       MET  99  -3.670  -0.721  -0.892
  775    H    LEU 100           H        LEU 100  -1.395  -6.431  -0.353
  776    HA   LEU 100           HA       LEU 100  -3.023  -8.669   0.326
  777   1HB   LEU 100          2HB       LEU 100  -4.219  -6.547  -1.159
  778   2HB   LEU 100          1HB       LEU 100  -4.016  -7.908  -2.245
  779    HG   LEU 100           HG       LEU 100  -5.445  -7.974   0.409
  780   1HD1  LEU 100          1HD1      LEU 100  -6.487  -8.002  -2.419
  781   2HD1  LEU 100          2HD1      LEU 100  -6.713  -6.728  -1.221
  782   3HD1  LEU 100          3HD1      LEU 100  -7.462  -8.306  -0.979
  783   1HD2  LEU 100          1HD2      LEU 100  -6.207 -10.221  -0.474
  784   2HD2  LEU 100          2HD2      LEU 100  -4.528 -10.120   0.058
  785   3HD2  LEU 100          3HD2      LEU 100  -4.912 -10.084  -1.662
  786    H    PHE 101           H        PHE 101  -2.234 -10.468  -0.679
  787    HA   PHE 101           HA       PHE 101  -0.658 -10.132  -3.110
  788   1HB   PHE 101          2HB       PHE 101   0.840  -9.943  -1.049
  789   2HB   PHE 101          1HB       PHE 101   0.499 -11.650  -0.782
  790    HD1  PHE 101           1HD      PHE 101   1.703 -13.291  -1.906
  791    HD2  PHE 101           2HD      PHE 101   1.876  -9.262  -3.258
  792    HE1  PHE 101           1HE      PHE 101   3.502 -13.897  -3.477
  793    HE2  PHE 101           2HE      PHE 101   3.672  -9.858  -4.832
  794    HZ   PHE 101           HZ       PHE 101   4.486 -12.180  -4.943
  795    H    GLY 102           H        GLY 102  -1.753 -11.399  -4.433
  796   1HA   GLY 102          2HA       GLY 102  -2.863 -13.229  -5.273
  797   2HA   GLY 102          1HA       GLY 102  -1.525 -14.105  -4.548
  798    H    ASN 103           H        ASN 103  -1.976 -15.551  -3.033
  799    HA   ASN 103           HA       ASN 103  -4.502 -15.353  -1.540
  800   1HB   ASN 103          2HB       ASN 103  -4.936 -17.734  -1.918
  801   2HB   ASN 103          1HB       ASN 103  -4.868 -16.869  -3.453
  802   1HD2  ASN 103          1HD2      ASN 103  -3.618 -19.406  -1.606
  803   2HD2  ASN 103          2HD2      ASN 103  -2.327 -19.870  -2.654
  804    H    GLU 104           H        GLU 104  -1.165 -15.954  -1.571
  805    HA   GLU 104           HA       GLU 104  -0.874 -17.869   0.414
  806   1HB   GLU 104          2HB       GLU 104   1.305 -16.499   0.860
  807   2HB   GLU 104          1HB       GLU 104   1.112 -17.458  -0.584
  808   1HG   GLU 104          2HG       GLU 104   0.370 -14.567  -0.571
  809   2HG   GLU 104          1HG       GLU 104   2.055 -15.054  -0.741
  810    H    VAL 105           H        VAL 105  -0.302 -17.689   2.609
  811    HA   VAL 105           HA       VAL 105  -1.017 -15.216   3.980
  812    HB   VAL 105           HB       VAL 105  -2.347 -17.877   4.475
  813   1HG1  VAL 105          1HG1      VAL 105  -3.120 -15.508   6.078
  814   2HG1  VAL 105          2HG1      VAL 105  -1.585 -16.271   6.491
  815   3HG1  VAL 105          3HG1      VAL 105  -3.075 -17.214   6.526
  816   1HG2  VAL 105          1HG2      VAL 105  -3.401 -16.655   2.706
  817   2HG2  VAL 105          2HG2      VAL 105  -3.403 -15.174   3.664
  818   3HG2  VAL 105          3HG2      VAL 105  -4.421 -16.533   4.140
  819    H    ILE 106           H        ILE 106   1.218 -15.136   4.451
  820    HA   ILE 106           HA       ILE 106   1.943 -16.609   6.820
  821    HB   ILE 106           HB       ILE 106   4.289 -16.927   5.617
  822   1HG1  ILE 106          2HG1      ILE 106   3.908 -17.851   3.325
  823   2HG1  ILE 106          1HG1      ILE 106   2.270 -17.213   3.389
  824   1HG2  ILE 106          1HG2      ILE 106   1.996 -18.628   6.137
  825   2HG2  ILE 106          2HG2      ILE 106   3.707 -18.904   6.459
  826   3HG2  ILE 106          3HG2      ILE 106   3.042 -19.260   4.865
  827   1HD1  ILE 106          1HD1      ILE 106   2.943 -15.155   2.872
  828   2HD1  ILE 106          2HD1      ILE 106   4.447 -15.926   2.367
  829   3HD1  ILE 106          3HD1      ILE 106   4.313 -15.222   3.979
  830    H    ASN 107           H        ASN 107   3.600 -15.615   8.010
  831    HA   ASN 107           HA       ASN 107   4.416 -12.944   7.056
  832   1HB   ASN 107          2HB       ASN 107   3.693 -13.764   9.882
  833   2HB   ASN 107          1HB       ASN 107   4.329 -12.192   9.423
  834   1HD2  ASN 107          1HD2      ASN 107   2.442 -12.930   6.900
  835   2HD2  ASN 107          2HD2      ASN 107   0.943 -12.265   7.428
  836    H    THR 108           H        THR 108   6.559 -12.977   6.675
  837    HA   THR 108           HA       THR 108   8.220 -14.844   8.185
  838    HB   THR 108           HB       THR 108  10.009 -14.227   6.619
  839    HG1  THR 108           1HG      THR 108   9.677 -12.729   5.047
  840   1HG2  THR 108          1HG2      THR 108   8.522 -15.996   5.910
  841   2HG2  THR 108          2HG2      THR 108   9.026 -15.017   4.533
  842   3HG2  THR 108          3HG2      THR 108   7.415 -14.811   5.217
  843    H    GLU 109           H        GLU 109  10.408 -12.621   7.440
  844    HA   GLU 109           HA       GLU 109  10.804 -11.765  10.091
  845   1HB   GLU 109          2HB       GLU 109  11.916 -10.639   7.513
  846   2HB   GLU 109          1HB       GLU 109  12.502 -10.232   9.121
  847   1HG   GLU 109          2HG       GLU 109  12.552 -12.967   7.865
  848   2HG   GLU 109          1HG       GLU 109  13.928 -11.878   8.035
  849    H    ARG 110           H        ARG 110  10.390  -9.501   7.395
  850    HA   ARG 110           HA       ARG 110   8.738  -7.822   9.159
  851   1HB   ARG 110          2HB       ARG 110  10.239  -7.039   6.650
  852   2HB   ARG 110          1HB       ARG 110   9.370  -5.950   7.719
  853   1HG   ARG 110          2HG       ARG 110  11.821  -7.551   8.433
  854   2HG   ARG 110          1HG       ARG 110  11.767  -5.821   8.095
  855   1HD   ARG 110          2HD       ARG 110  10.337  -5.466  10.028
  856   2HD   ARG 110          1HD       ARG 110  10.308  -7.200  10.347
  857    HE   ARG 110           HE       ARG 110  12.282  -5.390  11.198
  858   1HH1  ARG 110          1HH1      ARG 110  11.975  -8.585   9.834
  859   2HH1  ARG 110          2HH1      ARG 110  13.457  -9.159  10.522
  860   1HH2  ARG 110          1HH2      ARG 110  14.234  -6.144  12.106
  861   2HH2  ARG 110          2HH2      ARG 110  14.740  -7.773  11.811
  862    H    LEU 111           H        LEU 111   8.457 -10.024   6.767
  863    HA   LEU 111           HA       LEU 111   6.561  -8.736   5.069
  864   1HB   LEU 111          2HB       LEU 111   7.933 -10.530   4.216
  865   2HB   LEU 111          1HB       LEU 111   7.296 -11.643   5.398
  866    HG   LEU 111           HG       LEU 111   6.429 -11.824   3.004
  867   1HD1  LEU 111          1HD1      LEU 111   3.938 -11.746   4.205
  868   2HD1  LEU 111          2HD1      LEU 111   5.061 -12.060   5.530
  869   3HD1  LEU 111          3HD1      LEU 111   5.034 -13.125   4.125
  870   1HD2  LEU 111          1HD2      LEU 111   5.968  -9.179   3.199
  871   2HD2  LEU 111          2HD2      LEU 111   4.381  -9.812   3.632
  872   3HD2  LEU 111          3HD2      LEU 111   5.113 -10.248   2.089
  873    H    THR 112           H        THR 112   4.461  -8.643   5.153
  874    HA   THR 112           HA       THR 112   2.954 -10.342   6.977
  875    HB   THR 112           HB       THR 112   1.549  -8.163   7.391
  876    HG1  THR 112           1HG      THR 112   4.110  -7.013   7.126
  877   1HG2  THR 112          1HG2      THR 112   3.846  -7.765   9.061
  878   2HG2  THR 112          2HG2      THR 112   3.455  -9.478   8.926
  879   3HG2  THR 112          3HG2      THR 112   2.229  -8.336   9.479
  880    H    VAL 113           H        VAL 113   1.183 -11.132   5.995
  881    HA   VAL 113           HA       VAL 113   0.574 -10.193   3.319
  882    HB   VAL 113           HB       VAL 113   0.501 -12.677   4.556
  883   1HG1  VAL 113          1HG1      VAL 113  -2.343 -12.289   3.831
  884   2HG1  VAL 113          2HG1      VAL 113  -1.811 -11.744   5.423
  885   3HG1  VAL 113          3HG1      VAL 113  -1.599 -13.431   4.949
  886   1HG2  VAL 113          1HG2      VAL 113   0.027 -11.569   1.962
  887   2HG2  VAL 113          2HG2      VAL 113  -1.066 -12.923   2.248
  888   3HG2  VAL 113          3HG2      VAL 113   0.676 -13.148   2.406
  889    HA   PRO 114           HA       PRO 114  -3.235  -7.757   3.668
  890   1HB   PRO 114          2HB       PRO 114  -4.666 -10.302   4.383
  891   2HB   PRO 114          1HB       PRO 114  -5.229  -8.942   3.401
  892   1HG   PRO 114          2HG       PRO 114  -4.066 -11.260   2.392
  893   2HG   PRO 114          1HG       PRO 114  -4.190  -9.721   1.528
  894   1HD   PRO 114          2HD       PRO 114  -1.807 -11.009   2.361
  895   2HD   PRO 114          1HD       PRO 114  -1.949  -9.355   1.731
  896    H    HIS 115           H        HIS 115  -2.251  -6.807   5.488
  897    HA   HIS 115           HA       HIS 115  -2.392  -7.875   8.098
  898   1HB   HIS 115          2HB       HIS 115  -0.668  -6.284   7.439
  899   2HB   HIS 115          1HB       HIS 115  -1.887  -5.067   7.099
  900    HD1  HIS 115           1HD      HIS 115  -1.316  -7.218  10.194
  901    HD2  HIS 115           2HD      HIS 115  -1.648  -3.235   9.053
  902    HE1  HIS 115           1HE      HIS 115  -1.173  -5.894  12.326
  903    HE2  HIS 115           2HE      HIS 115  -1.347  -3.484  11.610
  904    H    TYR 116           H        TYR 116  -4.266  -8.198   9.088
  905    HA   TYR 116           HA       TYR 116  -6.709  -7.049   8.587
  906   1HB   TYR 116          2HB       TYR 116  -7.036  -7.460  11.196
  907   2HB   TYR 116          1HB       TYR 116  -6.931  -8.794  10.057
  908    HD1  TYR 116           1HD      TYR 116  -4.158  -6.704  11.370
  909    HD2  TYR 116           2HD      TYR 116  -6.023 -10.532  11.410
  910    HE1  TYR 116           1HE      TYR 116  -2.265  -7.611  12.645
  911    HE2  TYR 116           2HE      TYR 116  -4.131 -11.444  12.683
  912    HH   TYR 116           HH       TYR 116  -2.319 -10.836  13.981
  913    H    ASP 117           H        ASP 117  -6.555  -4.875   8.128
  914    HA   ASP 117           HA       ASP 117  -6.858  -3.063  10.291
  915   1HB   ASP 117          2HB       ASP 117  -4.321  -3.568  10.199
  916   2HB   ASP 117          1HB       ASP 117  -4.338  -2.660   8.696
  917    H    MET 118           H        MET 118  -5.796  -3.463   6.966
  918    HA   MET 118           HA       MET 118  -6.550  -0.982   5.936
  919   1HB   MET 118          2HB       MET 118  -6.285  -1.967   3.792
  920   2HB   MET 118          1HB       MET 118  -5.086  -2.701   4.845
  921   1HG   MET 118          2HG       MET 118  -7.730  -3.959   4.174
  922   2HG   MET 118          1HG       MET 118  -6.238  -4.273   3.288
  923   1HE   MET 118          1HE       MET 118  -6.846  -7.572   5.321
  924   2HE   MET 118          2HE       MET 118  -6.303  -6.959   3.759
  925   3HE   MET 118          3HE       MET 118  -7.911  -6.552   4.354
  926    H    LYS 119           H        LYS 119  -8.334  -4.001   6.170
  927    HA   LYS 119           HA       LYS 119 -10.609  -3.223   4.710
  928   1HB   LYS 119          2HB       LYS 119 -11.696  -5.123   6.040
  929   2HB   LYS 119          1HB       LYS 119 -10.304  -5.534   5.044
  930   1HG   LYS 119          2HG       LYS 119  -8.861  -5.462   6.992
  931   2HG   LYS 119          1HG       LYS 119 -10.233  -5.013   8.007
  932   1HD   LYS 119          2HD       LYS 119  -9.826  -7.367   8.270
  933   2HD   LYS 119          1HD       LYS 119 -11.332  -7.155   7.377
  934   1HE   LYS 119          2HE       LYS 119 -10.164  -7.601   5.282
  935   2HE   LYS 119          1HE       LYS 119  -8.643  -7.769   6.155
  936   1HZ   LYS 119          1HZ       LYS 119  -9.369  -9.735   7.166
  937   2HZ   LYS 119          2HZ       LYS 119  -9.856  -9.886   5.555
  938   3HZ   LYS 119          3HZ       LYS 119 -10.987  -9.474   6.744
  939    H    ASN 120           H        ASN 120  -9.455  -2.052   7.570
  940    HA   ASN 120           HA       ASN 120 -12.127  -1.252   8.520
  941   1HB   ASN 120          2HB       ASN 120  -9.536  -1.271  10.076
  942   2HB   ASN 120          1HB       ASN 120 -11.153  -1.009  10.722
  943   1HD2  ASN 120          1HD2      ASN 120  -8.791  -3.120  10.687
  944   2HD2  ASN 120          2HD2      ASN 120  -9.650  -4.615  10.755
  945    H    ARG 121           H        ARG 121 -10.670  -0.024   6.350
  946    HA   ARG 121           HA       ARG 121 -10.528   2.698   7.380
  947   1HB   ARG 121          2HB       ARG 121  -8.293   1.413   5.787
  948   2HB   ARG 121          1HB       ARG 121  -8.388   3.118   6.206
  949   1HG   ARG 121          2HG       ARG 121  -8.263   0.900   8.234
  950   2HG   ARG 121          1HG       ARG 121  -6.850   1.766   7.632
  951   1HD   ARG 121          2HD       ARG 121  -7.887   3.884   8.416
  952   2HD   ARG 121          1HD       ARG 121  -9.202   2.938   9.116
  953    HE   ARG 121           HE       ARG 121  -6.747   1.972  10.089
  954   1HH1  ARG 121          1HH1      ARG 121  -8.847   4.742  10.343
  955   2HH1  ARG 121          2HH1      ARG 121  -8.312   5.163  11.936
  956   1HH2  ARG 121          1HH2      ARG 121  -6.032   2.522  12.182
  957   2HH2  ARG 121          2HH2      ARG 121  -6.710   3.902  12.980
  958    H    GLY 122           H        GLY 122  -9.081   3.093   4.598
  959   1HA   GLY 122          2HA       GLY 122 -11.102   2.473   2.668
  960   2HA   GLY 122          1HA       GLY 122 -11.167   4.150   3.170
  961    H    PHE 123           H        PHE 123  -8.151   4.109   3.563
  962    HA   PHE 123           HA       PHE 123  -7.546   4.903   0.871
  963   1HB   PHE 123          2HB       PHE 123  -5.179   5.207   1.915
  964   2HB   PHE 123          1HB       PHE 123  -6.475   6.292   2.394
  965    HD1  PHE 123           1HD      PHE 123  -5.115   2.976   3.458
  966    HD2  PHE 123           2HD      PHE 123  -6.587   6.796   4.611
  967    HE1  PHE 123           1HE      PHE 123  -4.718   2.411   5.819
  968    HE2  PHE 123           2HE      PHE 123  -6.192   6.240   6.974
  969    HZ   PHE 123           HZ       PHE 123  -5.256   4.043   7.582
  970    H    MET 124           H        MET 124  -7.431   2.081   2.662
  971    HA   MET 124           HA       MET 124  -5.383   0.819   1.022
  972   1HB   MET 124          2HB       MET 124  -7.081  -0.296   3.268
  973   2HB   MET 124          1HB       MET 124  -5.761  -1.138   2.471
  974   1HG   MET 124          2HG       MET 124  -5.493   1.398   4.061
  975   2HG   MET 124          1HG       MET 124  -5.124  -0.221   4.645
  976   1HE   MET 124          1HE       MET 124  -1.860   0.520   4.868
  977   2HE   MET 124          2HE       MET 124  -3.312   1.405   5.342
  978   3HE   MET 124          3HE       MET 124  -2.132   2.158   4.269
  979    H    LEU 125           H        LEU 125  -8.808   0.421   1.829
  980    HA   LEU 125           HA       LEU 125  -9.319  -1.637  -0.061
  981   1HB   LEU 125          2HB       LEU 125 -11.225   0.219   1.354
  982   2HB   LEU 125          1HB       LEU 125 -11.684  -1.232   0.496
  983    HG   LEU 125           HG       LEU 125 -10.043  -1.079   3.014
  984   1HD1  LEU 125          1HD1      LEU 125 -12.869  -1.382   2.452
  985   2HD1  LEU 125          2HD1      LEU 125 -12.044  -1.034   3.973
  986   3HD1  LEU 125          3HD1      LEU 125 -12.226  -2.702   3.429
  987   1HD2  LEU 125          1HD2      LEU 125 -10.566  -3.309   1.114
  988   2HD2  LEU 125          2HD2      LEU 125 -10.498  -3.658   2.841
  989   3HD2  LEU 125          3HD2      LEU 125  -9.110  -2.930   2.033
  990    H    TRP 126           H        TRP 126 -10.542   1.696   0.030
  991    HA   TRP 126           HA       TRP 126 -11.884   1.794  -2.320
  992   1HB   TRP 126          2HB       TRP 126 -11.963   3.605  -0.767
  993   2HB   TRP 126          1HB       TRP 126 -10.257   3.959  -0.999
  994    HD1  TRP 126           HD       TRP 126 -10.369   6.328  -1.917
  995    HE1  TRP 126           1HE      TRP 126 -11.410   7.440  -3.995
  996    HE3  TRP 126           3HE      TRP 126 -13.184   2.410  -3.609
  997    HZ2  TRP 126           2HZ      TRP 126 -13.189   6.746  -6.072
  998    HZ3  TRP 126           3HZ      TRP 126 -14.527   2.717  -5.647
  999    HH2  TRP 126           HH       TRP 126 -14.530   4.842  -6.851
 1000    HA   PRO 127           HA       PRO 127  -8.021   3.215  -4.916
 1001   1HB   PRO 127          2HB       PRO 127  -5.764   2.315  -3.217
 1002   2HB   PRO 127          1HB       PRO 127  -5.942   3.797  -4.162
 1003   1HG   PRO 127          2HG       PRO 127  -6.131   3.888  -1.525
 1004   2HG   PRO 127          1HG       PRO 127  -7.248   4.832  -2.535
 1005   1HD   PRO 127          2HD       PRO 127  -7.713   2.191  -1.164
 1006   2HD   PRO 127          1HD       PRO 127  -8.756   3.632  -1.201
 1007    H    LEU 128           H        LEU 128  -7.295   0.374  -2.867
 1008    HA   LEU 128           HA       LEU 128  -6.055  -1.195  -4.828
 1009   1HB   LEU 128          2HB       LEU 128  -6.640  -1.504  -2.182
 1010   2HB   LEU 128          1HB       LEU 128  -7.753  -2.626  -2.924
 1011    HG   LEU 128           HG       LEU 128  -5.727  -3.576  -4.148
 1012   1HD1  LEU 128          1HD1      LEU 128  -3.676  -2.832  -3.664
 1013   2HD1  LEU 128          2HD1      LEU 128  -4.002  -2.830  -1.932
 1014   3HD1  LEU 128          3HD1      LEU 128  -4.469  -1.446  -2.919
 1015   1HD2  LEU 128          1HD2      LEU 128  -5.155  -4.979  -2.180
 1016   2HD2  LEU 128          2HD2      LEU 128  -6.890  -4.803  -2.433
 1017   3HD2  LEU 128          3HD2      LEU 128  -6.086  -3.876  -1.169
 1018    H    PHE 129           H        PHE 129  -9.374  -0.524  -4.186
 1019    HA   PHE 129           HA       PHE 129 -10.603  -2.665  -5.546
 1020   1HB   PHE 129          2HB       PHE 129 -11.773  -1.069  -4.028
 1021   2HB   PHE 129          1HB       PHE 129 -11.606   0.185  -5.251
 1022    HD1  PHE 129           1HD      PHE 129 -13.317   0.516  -6.757
 1023    HD2  PHE 129           2HD      PHE 129 -12.980  -3.248  -4.804
 1024    HE1  PHE 129           1HE      PHE 129 -15.446  -0.194  -7.767
 1025    HE2  PHE 129           2HE      PHE 129 -15.105  -3.969  -5.814
 1026    HZ   PHE 129           HZ       PHE 129 -16.341  -2.440  -7.297
 1027    H    GLU 130           H        GLU 130  -8.744  -0.082  -6.691
 1028    HA   GLU 130           HA       GLU 130  -9.918  -0.211  -9.368
 1029   1HB   GLU 130          2HB       GLU 130  -9.725   2.030  -8.409
 1030   2HB   GLU 130          1HB       GLU 130  -7.996   1.799  -8.186
 1031   1HG   GLU 130          2HG       GLU 130  -7.682   1.659 -10.588
 1032   2HG   GLU 130          1HG       GLU 130  -9.420   1.826 -10.839
 1033    H    ILE 131           H        ILE 131  -6.929  -0.778  -7.588
 1034    HA   ILE 131           HA       ILE 131  -5.312  -1.116  -9.912
 1035    HB   ILE 131           HB       ILE 131  -3.581  -1.758  -8.498
 1036   1HG1  ILE 131          2HG1      ILE 131  -5.569  -2.585  -6.357
 1037   2HG1  ILE 131          1HG1      ILE 131  -4.800  -3.712  -7.469
 1038   1HG2  ILE 131          1HG2      ILE 131  -5.464   0.197  -7.417
 1039   2HG2  ILE 131          2HG2      ILE 131  -3.728   0.326  -7.705
 1040   3HG2  ILE 131          3HG2      ILE 131  -4.323  -0.435  -6.230
 1041   1HD1  ILE 131          1HD1      ILE 131  -2.614  -3.074  -6.583
 1042   2HD1  ILE 131          2HD1      ILE 131  -3.683  -3.717  -5.336
 1043   3HD1  ILE 131          3HD1      ILE 131  -3.408  -1.979  -5.448
 1044    H    ALA 132           H        ALA 132  -7.357  -3.150  -8.009
 1045    HA   ALA 132           HA       ALA 132  -7.932  -5.011  -9.907
 1046   1HB   ALA 132          1HB       ALA 132  -5.320  -5.556  -8.691
 1047   2HB   ALA 132          2HB       ALA 132  -5.999  -6.117 -10.216
 1048   3HB   ALA 132          3HB       ALA 132  -6.424  -6.930  -8.710
 1049    HA   PRO 133           HA       PRO 133 -10.160  -5.724  -6.004
 1050   1HB   PRO 133          2HB       PRO 133 -12.549  -4.927  -6.725
 1051   2HB   PRO 133          1HB       PRO 133 -11.245  -3.727  -6.573
 1052   1HG   PRO 133          2HG       PRO 133 -12.333  -5.034  -9.055
 1053   2HG   PRO 133          1HG       PRO 133 -11.971  -3.321  -8.765
 1054   1HD   PRO 133          2HD       PRO 133 -10.258  -5.138 -10.000
 1055   2HD   PRO 133          1HD       PRO 133  -9.760  -3.600  -9.266
 1056    H    GLU 134           H        GLU 134  -9.690  -7.430  -8.611
 1057    HA   GLU 134           HA       GLU 134 -12.028  -9.195  -8.398
 1058   1HB   GLU 134          2HB       GLU 134 -11.104 -10.303 -10.412
 1059   2HB   GLU 134          1HB       GLU 134 -11.392  -8.589 -10.675
 1060   1HG   GLU 134          2HG       GLU 134  -9.013  -8.137 -10.351
 1061   2HG   GLU 134          1HG       GLU 134  -8.725  -9.855 -10.086
 1062    H    LEU 135           H        LEU 135  -9.721  -8.720  -6.565
 1063    HA   LEU 135           HA       LEU 135  -8.297 -11.233  -6.489
 1064   1HB   LEU 135          2HB       LEU 135  -7.444  -8.851  -5.960
 1065   2HB   LEU 135          1HB       LEU 135  -8.262  -9.052  -4.430
 1066    HG   LEU 135           HG       LEU 135  -5.783  -9.521  -4.489
 1067   1HD1  LEU 135          1HD1      LEU 135  -6.209 -11.775  -3.174
 1068   2HD1  LEU 135          2HD1      LEU 135  -7.890 -11.266  -3.332
 1069   3HD1  LEU 135          3HD1      LEU 135  -6.725 -10.216  -2.529
 1070   1HD2  LEU 135          1HD2      LEU 135  -4.921 -11.117  -5.771
 1071   2HD2  LEU 135          2HD2      LEU 135  -6.485 -11.204  -6.582
 1072   3HD2  LEU 135          3HD2      LEU 135  -6.127 -12.287  -5.237
 1073    H    VAL 136           H        VAL 136  -8.488 -12.773  -4.859
 1074    HA   VAL 136           HA       VAL 136 -10.588 -12.379  -2.860
 1075    HB   VAL 136           HB       VAL 136 -11.661 -13.560  -4.731
 1076   1HG1  VAL 136          1HG1      VAL 136 -10.377 -16.116  -4.428
 1077   2HG1  VAL 136          2HG1      VAL 136  -9.213 -14.891  -4.931
 1078   3HG1  VAL 136          3HG1      VAL 136 -10.666 -15.172  -5.889
 1079   1HG2  VAL 136          1HG2      VAL 136 -12.474 -15.527  -3.442
 1080   2HG2  VAL 136          2HG2      VAL 136 -12.485 -14.018  -2.528
 1081   3HG2  VAL 136          3HG2      VAL 136 -11.215 -15.208  -2.248
 1082    H    PHE 137           H        PHE 137 -10.273 -13.564  -0.937
 1083    HA   PHE 137           HA       PHE 137  -7.555 -14.435  -0.494
 1084   1HB   PHE 137          2HB       PHE 137  -9.974 -14.229   1.312
 1085   2HB   PHE 137          1HB       PHE 137  -8.428 -14.859   1.860
 1086    HD1  PHE 137           1HD      PHE 137  -9.086 -11.981  -0.390
 1087    HD2  PHE 137           2HD      PHE 137  -7.718 -13.273   3.428
 1088    HE1  PHE 137           1HE      PHE 137  -8.345  -9.693   0.116
 1089    HE2  PHE 137           2HE      PHE 137  -6.976 -10.985   3.939
 1090    HZ   PHE 137           HZ       PHE 137  -7.295  -9.203   2.342
 1091    HA   PRO 138           HA       PRO 138  -7.882 -18.812  -0.991
 1092   1HB   PRO 138          2HB       PRO 138  -7.263 -19.639   1.636
 1093   2HB   PRO 138          1HB       PRO 138  -6.131 -19.465   0.297
 1094   1HG   PRO 138          2HG       PRO 138  -6.713 -17.612   2.542
 1095   2HG   PRO 138          1HG       PRO 138  -5.201 -17.867   1.654
 1096   1HD   PRO 138          2HD       PRO 138  -6.712 -15.679   1.268
 1097   2HD   PRO 138          1HD       PRO 138  -5.826 -16.449  -0.067
 1098    H    ASP 139           H        ASP 139  -9.496 -17.156   1.556
 1099    HA   ASP 139           HA       ASP 139 -11.304 -19.306   2.234
 1100   1HB   ASP 139          2HB       ASP 139 -10.455 -17.450   3.798
 1101   2HB   ASP 139          1HB       ASP 139 -11.592 -16.399   2.972
 1102    H    GLY 140           H        GLY 140 -11.769 -15.995   1.017
 1103   1HA   GLY 140          2HA       GLY 140 -13.123 -16.300  -1.267
 1104   2HA   GLY 140          1HA       GLY 140 -14.362 -16.705  -0.086
 1105    H    GLU 141           H        GLU 141 -11.815 -14.322   0.341
 1106    HA   GLU 141           HA       GLU 141 -13.874 -12.236   0.573
 1107   1HB   GLU 141          2HB       GLU 141 -12.600 -12.639   2.614
 1108   2HB   GLU 141          1HB       GLU 141 -11.093 -12.408   1.737
 1109   1HG   GLU 141          2HG       GLU 141 -11.690 -10.085   1.318
 1110   2HG   GLU 141          1HG       GLU 141 -13.200 -10.311   2.198
 1111    H    MET 142           H        MET 142 -13.940 -10.716  -0.958
 1112    HA   MET 142           HA       MET 142 -11.518 -10.272  -2.584
 1113   1HB   MET 142          2HB       MET 142 -14.398  -9.918  -3.426
 1114   2HB   MET 142          1HB       MET 142 -12.982  -9.733  -4.452
 1115   1HG   MET 142          2HG       MET 142 -12.468 -12.115  -4.132
 1116   2HG   MET 142          1HG       MET 142 -13.932 -12.279  -3.165
 1117   1HE   MET 142          1HE       MET 142 -12.931 -10.324  -6.169
 1118   2HE   MET 142          2HE       MET 142 -14.175 -10.632  -7.383
 1119   3HE   MET 142          3HE       MET 142 -12.820 -11.747  -7.207
 1120    H    LEU 143           H        LEU 143 -11.185  -8.033  -3.390
 1121    HA   LEU 143           HA       LEU 143 -11.528  -6.112  -1.388
 1122   1HB   LEU 143          2HB       LEU 143  -9.991  -6.160  -3.517
 1123   2HB   LEU 143          1HB       LEU 143 -11.335  -5.335  -4.278
 1124    HG   LEU 143           HG       LEU 143  -9.646  -3.752  -3.531
 1125   1HD1  LEU 143          1HD1      LEU 143 -12.310  -3.490  -3.164
 1126   2HD1  LEU 143          2HD1      LEU 143 -11.130  -2.202  -2.921
 1127   3HD1  LEU 143          3HD1      LEU 143 -11.701  -3.144  -1.545
 1128   1HD2  LEU 143          1HD2      LEU 143  -8.562  -4.782  -1.744
 1129   2HD2  LEU 143          2HD2      LEU 143 -10.071  -5.071  -0.878
 1130   3HD2  LEU 143          3HD2      LEU 143  -9.427  -3.434  -1.005
 1131    H    ARG 144           H        ARG 144 -13.585  -7.256  -3.902
 1132    HA   ARG 144           HA       ARG 144 -15.433  -5.058  -3.858
 1133   1HB   ARG 144          2HB       ARG 144 -15.281  -6.435  -5.846
 1134   2HB   ARG 144          1HB       ARG 144 -15.685  -7.878  -4.924
 1135   1HG   ARG 144          2HG       ARG 144 -17.561  -7.020  -6.273
 1136   2HG   ARG 144          1HG       ARG 144 -17.916  -7.079  -4.545
 1137   1HD   ARG 144          2HD       ARG 144 -17.542  -4.707  -4.340
 1138   2HD   ARG 144          1HD       ARG 144 -17.018  -4.605  -6.019
 1139    HE   ARG 144           HE       ARG 144 -19.211  -4.395  -6.583
 1140   1HH1  ARG 144          1HH1      ARG 144 -19.039  -6.119  -3.558
 1141   2HH1  ARG 144          2HH1      ARG 144 -20.758  -6.259  -3.394
 1142   1HH2  ARG 144          1HH2      ARG 144 -21.471  -4.576  -6.374
 1143   2HH2  ARG 144          2HH2      ARG 144 -22.139  -5.383  -4.994
 1144    H    GLN 145           H        GLN 145 -15.269  -8.283  -2.420
 1145    HA   GLN 145           HA       GLN 145 -17.776  -8.167  -1.105
 1146   1HB   GLN 145          2HB       GLN 145 -16.710 -10.304  -1.481
 1147   2HB   GLN 145          1HB       GLN 145 -15.294  -9.810  -0.567
 1148   1HG   GLN 145          2HG       GLN 145 -17.979  -9.917   0.741
 1149   2HG   GLN 145          1HG       GLN 145 -17.029 -11.384   0.516
 1150   1HE2  GLN 145          1HE2      GLN 145 -14.731  -9.159   0.811
 1151   2HE2  GLN 145          2HE2      GLN 145 -14.496  -9.152   2.522
 1152    H    ILE 146           H        ILE 146 -14.597  -6.984  -0.373
 1153    HA   ILE 146           HA       ILE 146 -15.066  -6.501   2.406
 1154    HB   ILE 146           HB       ILE 146 -12.972  -5.297   0.588
 1155   1HG1  ILE 146          2HG1      ILE 146 -12.759  -7.625   2.511
 1156   2HG1  ILE 146          1HG1      ILE 146 -12.886  -7.782   0.763
 1157   1HG2  ILE 146          1HG2      ILE 146 -13.554  -5.070   3.484
 1158   2HG2  ILE 146          2HG2      ILE 146 -12.858  -3.893   2.370
 1159   3HG2  ILE 146          3HG2      ILE 146 -11.862  -5.202   3.006
 1160   1HD1  ILE 146          1HD1      ILE 146 -10.766  -6.746   0.447
 1161   2HD1  ILE 146          2HD1      ILE 146 -10.581  -8.005   1.667
 1162   3HD1  ILE 146          3HD1      ILE 146 -10.665  -6.311   2.152
 1163    H    LEU 147           H        LEU 147 -14.781  -4.343  -0.442
 1164    HA   LEU 147           HA       LEU 147 -15.621  -2.038   0.944
 1165   1HB   LEU 147          2HB       LEU 147 -15.513  -2.764  -1.964
 1166   2HB   LEU 147          1HB       LEU 147 -16.233  -1.251  -1.449
 1167    HG   LEU 147           HG       LEU 147 -13.377  -2.115  -1.000
 1168   1HD1  LEU 147          1HD1      LEU 147 -12.783  -0.787  -2.727
 1169   2HD1  LEU 147          2HD1      LEU 147 -14.094   0.357  -2.442
 1170   3HD1  LEU 147          3HD1      LEU 147 -14.416  -1.163  -3.274
 1171   1HD2  LEU 147          1HD2      LEU 147 -13.278   0.394  -0.271
 1172   2HD2  LEU 147          2HD2      LEU 147 -13.773  -0.847   0.882
 1173   3HD2  LEU 147          3HD2      LEU 147 -14.989   0.152   0.084
 1174    H    HIS 148           H        HIS 148 -17.347  -4.778  -0.043
 1175    HA   HIS 148           HA       HIS 148 -19.876  -3.524  -0.543
 1176   1HB   HIS 148          2HB       HIS 148 -19.286  -5.763  -1.446
 1177   2HB   HIS 148          1HB       HIS 148 -19.288  -6.402   0.195
 1178    HD1  HIS 148           1HD      HIS 148 -21.775  -4.418  -1.912
 1179    HD2  HIS 148           2HD      HIS 148 -21.624  -7.654   0.691
 1180    HE1  HIS 148           1HE      HIS 148 -24.137  -5.269  -1.758
 1181    HE2  HIS 148           2HE      HIS 148 -24.028  -7.208  -0.155
 1182    H    THR 149           H        THR 149 -18.142  -4.652   2.231
 1183    HA   THR 149           HA       THR 149 -20.475  -4.421   3.974
 1184    HB   THR 149           HB       THR 149 -18.724  -6.290   4.118
 1185    HG1  THR 149           1HG      THR 149 -20.211  -5.906   5.792
 1186   1HG2  THR 149          1HG2      THR 149 -16.645  -5.288   4.074
 1187   2HG2  THR 149          2HG2      THR 149 -16.882  -5.705   5.769
 1188   3HG2  THR 149          3HG2      THR 149 -17.116  -4.043   5.229
 1189    H    ARG 150           H        ARG 150 -17.296  -3.079   3.451
 1190    HA   ARG 150           HA       ARG 150 -17.592  -1.011   5.443
 1191   1HB   ARG 150          2HB       ARG 150 -15.462  -1.588   3.380
 1192   2HB   ARG 150          1HB       ARG 150 -15.360  -0.287   4.558
 1193   1HG   ARG 150          2HG       ARG 150 -15.740  -3.143   5.363
 1194   2HG   ARG 150          1HG       ARG 150 -14.148  -2.445   5.112
 1195   1HD   ARG 150          2HD       ARG 150 -14.570  -0.777   6.815
 1196   2HD   ARG 150          1HD       ARG 150 -16.223  -1.359   7.014
 1197    HE   ARG 150           HE       ARG 150 -13.880  -2.428   8.218
 1198   1HH1  ARG 150          1HH1      ARG 150 -17.010  -3.304   6.957
 1199   2HH1  ARG 150          2HH1      ARG 150 -17.124  -4.751   7.901
 1200   1HH2  ARG 150          1HH2      ARG 150 -14.028  -4.331   9.463
 1201   2HH2  ARG 150          2HH2      ARG 150 -15.434  -5.334   9.323
 1202    H    ALA 151           H        ALA 151 -16.825  -0.856   1.972
 1203    HA   ALA 151           HA       ALA 151 -17.403   0.598   0.330
 1204   1HB   ALA 151          1HB       ALA 151 -19.759   1.775   1.512
 1205   2HB   ALA 151          2HB       ALA 151 -19.756   0.020   1.684
 1206   3HB   ALA 151          3HB       ALA 151 -19.604   0.750   0.087
 1207    H    PHE 152           H        PHE 152 -15.442   1.663   1.723
 1208    HA   PHE 152           HA       PHE 152 -16.318   4.381   2.401
 1209   1HB   PHE 152          2HB       PHE 152 -13.825   2.889   3.210
 1210   2HB   PHE 152          1HB       PHE 152 -14.100   4.598   3.535
 1211    HD1  PHE 152           1HD      PHE 152 -15.446   5.301   5.313
 1212    HD2  PHE 152           2HD      PHE 152 -15.291   1.187   4.259
 1213    HE1  PHE 152           1HE      PHE 152 -16.612   4.722   7.409
 1214    HE2  PHE 152           2HE      PHE 152 -16.459   0.596   6.345
 1215    HZ   PHE 152           HZ       PHE 152 -17.137   2.356   7.912
 1216    H    ASP 153           H        ASP 153 -16.405   4.961   0.158
 1217    HA   ASP 153           HA       ASP 153 -13.992   4.961  -1.410
 1218   1HB   ASP 153          2HB       ASP 153 -16.626   6.394  -1.856
 1219   2HB   ASP 153          1HB       ASP 153 -15.322   6.274  -3.032
 1220    H    LYS 154           H        LYS 154 -13.876   6.162   1.178
 1221    HA   LYS 154           HA       LYS 154 -14.009   8.937   1.248
 1222   1HB   LYS 154          2HB       LYS 154 -12.116   7.077   2.698
 1223   2HB   LYS 154          1HB       LYS 154 -12.460   8.738   3.163
 1224   1HG   LYS 154          2HG       LYS 154 -14.848   8.042   3.484
 1225   2HG   LYS 154          1HG       LYS 154 -14.319   6.378   3.236
 1226   1HD   LYS 154          2HD       LYS 154 -13.446   8.265   5.423
 1227   2HD   LYS 154          1HD       LYS 154 -14.423   6.808   5.600
 1228   1HE   LYS 154          2HE       LYS 154 -11.531   6.927   4.743
 1229   2HE   LYS 154          1HE       LYS 154 -12.128   6.402   6.314
 1230   1HZ   LYS 154          1HZ       LYS 154 -13.286   4.584   5.198
 1231   2HZ   LYS 154          2HZ       LYS 154 -11.616   4.517   4.938
 1232   3HZ   LYS 154          3HZ       LYS 154 -12.640   5.073   3.712
 1233    H    LEU 155           H        LEU 155 -11.185   9.209   2.228
 1234    HA   LEU 155           HA       LEU 155  -9.334  10.288   1.455
 1235   1HB   LEU 155          2HB       LEU 155  -9.014   8.221  -0.659
 1236   2HB   LEU 155          1HB       LEU 155  -7.838   8.854   0.473
 1237    HG   LEU 155           HG       LEU 155  -8.082   6.655   1.160
 1238   1HD1  LEU 155          1HD1      LEU 155 -10.186   7.217   3.010
 1239   2HD1  LEU 155          2HD1      LEU 155  -9.125   8.617   2.852
 1240   3HD1  LEU 155          3HD1      LEU 155  -8.453   7.048   3.294
 1241   1HD2  LEU 155          1HD2      LEU 155 -10.793   6.103   1.515
 1242   2HD2  LEU 155          2HD2      LEU 155  -9.708   5.444   0.290
 1243   3HD2  LEU 155          3HD2      LEU 155 -10.663   6.884  -0.061
 1244    H    ASN 156           H        ASN 156 -10.736  12.015   0.575
 1245    HA   ASN 156           HA       ASN 156 -11.568  12.144  -2.085
 1246   1HB   ASN 156          2HB       ASN 156 -11.520  14.631  -1.759
 1247   2HB   ASN 156          1HB       ASN 156 -12.396  13.754  -0.510
 1248   1HD2  ASN 156          1HD2      ASN 156 -12.002  14.371   1.475
 1249   2HD2  ASN 156          2HD2      ASN 156 -10.556  15.123   2.046
 1250    H    LYS 157           H        LYS 157 -10.530  12.328  -3.944
 1251    HA   LYS 157           HA       LYS 157  -7.855  12.030  -4.315
 1252   1HB   LYS 157          2HB       LYS 157  -9.893  13.393  -6.052
 1253   2HB   LYS 157          1HB       LYS 157  -8.229  13.170  -6.574
 1254   1HG   LYS 157          2HG       LYS 157  -8.455  10.769  -6.378
 1255   2HG   LYS 157          1HG       LYS 157 -10.096  10.954  -5.763
 1256   1HD   LYS 157          2HD       LYS 157  -9.152  11.842  -8.488
 1257   2HD   LYS 157          1HD       LYS 157 -10.034  10.349  -8.157
 1258   1HE   LYS 157          2HE       LYS 157 -11.918  11.662  -7.297
 1259   2HE   LYS 157          1HE       LYS 157 -11.037  13.149  -7.647
 1260   1HZ   LYS 157          1HZ       LYS 157 -12.654  12.586  -9.377
 1261   2HZ   LYS 157          2HZ       LYS 157 -11.842  11.133  -9.673
 1262   3HZ   LYS 157          3HZ       LYS 157 -11.074  12.609  -9.983
 1263    H    TRP 158           H        TRP 158  -6.084  13.180  -4.143
 1264    HA   TRP 158           HA       TRP 158  -5.513  15.322  -2.771
 1265   1HB   TRP 158          2HB       TRP 158  -3.790  14.143  -3.969
 1266   2HB   TRP 158          1HB       TRP 158  -4.404  14.710  -5.515
 1267    HD1  TRP 158           HD       TRP 158  -3.249  16.796  -6.468
 1268    HE1  TRP 158           1HE      TRP 158  -1.677  18.609  -5.535
 1269    HE3  TRP 158           3HE      TRP 158  -3.295  15.438  -1.543
 1270    HZ2  TRP 158           2HZ      TRP 158  -0.597  19.360  -3.039
 1271    HZ3  TRP 158           3HZ      TRP 158  -1.963  16.755   0.050
 1272    HH2  TRP 158           HH       TRP 158  -0.641  18.673  -0.682
  Start of MODEL    6
    1   1H    THR   1          1HT       THR   1   2.638 -12.384 -10.172
    2   2H    THR   1          2HT       THR   1   2.059 -13.973 -10.228
    3   3H    THR   1          3HT       THR   1   3.255 -13.548  -9.110
    4    HA   THR   1           HA       THR   1   0.395 -13.220  -8.978
    5    HB   THR   1           HB       THR   1   2.622 -13.230  -6.926
    6    HG1  THR   1           1HG      THR   1   2.040 -15.165  -8.374
    7   1HG2  THR   1          1HG2      THR   1   0.407 -12.266  -6.173
    8   2HG2  THR   1          2HG2      THR   1   1.034 -13.635  -5.253
    9   3HG2  THR   1          3HG2      THR   1  -0.261 -13.878  -6.425
   10    H    VAL   2           H        VAL   2  -0.651 -11.356  -8.927
   11    HA   VAL   2           HA       VAL   2   0.655  -8.847  -9.016
   12    HB   VAL   2           HB       VAL   2  -1.497  -9.176 -10.085
   13   1HG1  VAL   2          1HG1      VAL   2  -2.624  -9.488  -7.309
   14   2HG1  VAL   2          2HG1      VAL   2  -2.438 -10.778  -8.497
   15   3HG1  VAL   2          3HG1      VAL   2  -3.549  -9.445  -8.810
   16   1HG2  VAL   2          1HG2      VAL   2  -0.908  -7.035  -8.254
   17   2HG2  VAL   2          2HG2      VAL   2  -2.650  -7.262  -8.414
   18   3HG2  VAL   2          3HG2      VAL   2  -1.663  -6.976  -9.847
   19    H    ALA   3           H        ALA   3   0.839  -7.220  -7.479
   20    HA   ALA   3           HA       ALA   3   0.376  -8.071  -4.696
   21   1HB   ALA   3          1HB       ALA   3   2.575  -7.806  -4.478
   22   2HB   ALA   3          2HB       ALA   3   2.266  -6.071  -4.568
   23   3HB   ALA   3          3HB       ALA   3   2.708  -6.965  -6.023
   24    H    TYR   4           H        TYR   4  -0.875  -6.888  -3.448
   25    HA   TYR   4           HA       TYR   4  -1.893  -4.300  -4.422
   26   1HB   TYR   4          2HB       TYR   4  -2.946  -6.174  -2.303
   27   2HB   TYR   4          1HB       TYR   4  -3.702  -4.667  -2.787
   28    HD1  TYR   4           1HD      TYR   4  -2.242  -6.347  -5.551
   29    HD2  TYR   4           2HD      TYR   4  -5.709  -6.303  -3.092
   30    HE1  TYR   4           1HE      TYR   4  -3.489  -7.547  -7.292
   31    HE2  TYR   4           2HE      TYR   4  -6.964  -7.503  -4.825
   32    HH   TYR   4           HH       TYR   4  -5.392  -8.714  -7.723
   33    H    ILE   5           H        ILE   5  -0.051  -3.087  -3.760
   34    HA   ILE   5           HA       ILE   5   0.536  -3.030  -0.893
   35    HB   ILE   5           HB       ILE   5   1.974  -1.543  -3.084
   36   1HG1  ILE   5          2HG1      ILE   5   2.582  -4.277  -1.934
   37   2HG1  ILE   5          1HG1      ILE   5   1.979  -3.956  -3.557
   38   1HG2  ILE   5          1HG2      ILE   5   3.827  -1.556  -1.450
   39   2HG2  ILE   5          2HG2      ILE   5   2.752  -2.315  -0.275
   40   3HG2  ILE   5          3HG2      ILE   5   2.404  -0.690  -0.868
   41   1HD1  ILE   5          1HD1      ILE   5   4.022  -3.566  -4.324
   42   2HD1  ILE   5          2HD1      ILE   5   4.620  -4.200  -2.791
   43   3HD1  ILE   5          3HD1      ILE   5   4.391  -2.463  -2.999
   44    H    ALA   6           H        ALA   6   0.474  -1.169   0.343
   45    HA   ALA   6           HA       ALA   6  -1.173   1.015  -0.750
   46   1HB   ALA   6          1HB       ALA   6  -0.965  -0.205   1.967
   47   2HB   ALA   6          2HB       ALA   6  -2.398   0.220   1.033
   48   3HB   ALA   6          3HB       ALA   6  -1.449   1.484   1.813
   49    H    ILE   7           H        ILE   7   0.197   2.546  -1.461
   50    HA   ILE   7           HA       ILE   7   2.601   3.165   0.090
   51    HB   ILE   7           HB       ILE   7   1.777   4.234  -2.612
   52   1HG1  ILE   7          2HG1      ILE   7   3.695   1.987  -1.949
   53   2HG1  ILE   7          1HG1      ILE   7   2.078   1.768  -2.607
   54   1HG2  ILE   7          1HG2      ILE   7   3.525   5.588  -2.431
   55   2HG2  ILE   7          2HG2      ILE   7   4.588   4.203  -2.177
   56   3HG2  ILE   7          3HG2      ILE   7   3.818   4.988  -0.797
   57   1HD1  ILE   7          1HD1      ILE   7   4.253   1.796  -4.123
   58   2HD1  ILE   7          2HD1      ILE   7   3.918   3.528  -4.111
   59   3HD1  ILE   7          3HD1      ILE   7   2.697   2.397  -4.691
   60    H    GLY   8           H        GLY   8   2.848   4.990   1.249
   61   1HA   GLY   8          2HA       GLY   8   0.750   7.056   0.975
   62   2HA   GLY   8          1HA       GLY   8   1.467   6.619   2.521
   63    H    SER   9           H        SER   9   1.450   9.228   1.692
   64    HA   SER   9           HA       SER   9   4.286   9.770   1.604
   65   1HB   SER   9          2HB       SER   9   4.110  11.290  -0.336
   66   2HB   SER   9          1HB       SER   9   3.762   9.615  -0.761
   67    HG   SER   9           HG       SER   9   1.478  10.258  -0.408
   68    H    ASN  10           H        ASN  10   4.516  11.121   3.262
   69    HA   ASN  10           HA       ASN  10   2.522  13.264   3.535
   70   1HB   ASN  10          2HB       ASN  10   3.890  11.898   5.833
   71   2HB   ASN  10          1HB       ASN  10   2.650  13.106   5.931
   72   1HD2  ASN  10          1HD2      ASN  10   1.099  12.009   6.963
   73   2HD2  ASN  10          2HD2      ASN  10   0.330  10.587   6.344
   74    H    LEU  11           H        LEU  11   5.501  12.616   5.341
   75    HA   LEU  11           HA       LEU  11   6.325  15.371   4.860
   76   1HB   LEU  11          2HB       LEU  11   7.312  13.274   6.790
   77   2HB   LEU  11          1HB       LEU  11   8.016  14.875   6.644
   78    HG   LEU  11           HG       LEU  11   5.158  14.305   7.429
   79   1HD1  LEU  11          1HD1      LEU  11   6.289  13.640   9.304
   80   2HD1  LEU  11          2HD1      LEU  11   6.136  15.369   9.619
   81   3HD1  LEU  11          3HD1      LEU  11   7.652  14.716   8.998
   82   1HD2  LEU  11          1HD2      LEU  11   5.363  16.756   8.174
   83   2HD2  LEU  11          2HD2      LEU  11   5.143  16.424   6.455
   84   3HD2  LEU  11          3HD2      LEU  11   6.743  16.825   7.080
   85    H    ALA  12           H        ALA  12   6.865  14.803   2.585
   86    HA   ALA  12           HA       ALA  12   9.551  14.865   2.070
   87   1HB   ALA  12          1HB       ALA  12  10.385  12.811   2.227
   88   2HB   ALA  12          2HB       ALA  12   9.187  12.220   1.076
   89   3HB   ALA  12          3HB       ALA  12   8.825  12.225   2.804
   90    H    SER  13           H        SER  13   7.218  16.001   1.056
   91    HA   SER  13           HA       SER  13   6.308  16.668  -0.923
   92   1HB   SER  13          2HB       SER  13   8.443  14.907  -2.168
   93   2HB   SER  13          1HB       SER  13   7.438  16.066  -3.040
   94    HG   SER  13           HG       SER  13   8.520  17.703  -2.160
   95    HA   PRO  14           HA       PRO  14   3.772  12.788  -0.436
   96   1HB   PRO  14          2HB       PRO  14   1.825  14.947  -1.137
   97   2HB   PRO  14          1HB       PRO  14   1.665  13.621   0.020
   98   1HG   PRO  14          2HG       PRO  14   2.207  16.083   0.860
   99   2HG   PRO  14          1HG       PRO  14   2.984  14.676   1.612
  100   1HD   PRO  14          2HD       PRO  14   4.117  16.688  -0.264
  101   2HD   PRO  14          1HD       PRO  14   4.912  15.778   1.035
  102    H    LEU  15           H        LEU  15   4.066  15.127  -3.033
  103    HA   LEU  15           HA       LEU  15   2.558  13.500  -4.890
  104   1HB   LEU  15          2HB       LEU  15   2.482  15.951  -4.994
  105   2HB   LEU  15          1HB       LEU  15   4.195  15.987  -5.362
  106    HG   LEU  15           HG       LEU  15   3.756  14.785  -7.472
  107   1HD1  LEU  15          1HD1      LEU  15   0.943  14.883  -6.455
  108   2HD1  LEU  15          2HD1      LEU  15   1.837  13.524  -7.132
  109   3HD1  LEU  15          3HD1      LEU  15   1.279  14.823  -8.185
  110   1HD2  LEU  15          1HD2      LEU  15   1.932  16.876  -8.032
  111   2HD2  LEU  15          2HD2      LEU  15   3.667  16.823  -8.341
  112   3HD2  LEU  15          3HD2      LEU  15   3.064  17.463  -6.812
  113    H    GLU  16           H        GLU  16   5.944  14.170  -4.193
  114    HA   GLU  16           HA       GLU  16   6.887  12.786  -6.534
  115   1HB   GLU  16          2HB       GLU  16   8.235  14.017  -4.154
  116   2HB   GLU  16          1HB       GLU  16   9.132  13.169  -5.410
  117   1HG   GLU  16          2HG       GLU  16   7.321  15.508  -5.932
  118   2HG   GLU  16          1HG       GLU  16   9.055  15.654  -5.646
  119    H    GLN  17           H        GLN  17   6.439  12.036  -3.145
  120    HA   GLN  17           HA       GLN  17   8.065   9.801  -2.910
  121   1HB   GLN  17          2HB       GLN  17   5.417  10.356  -1.586
  122   2HB   GLN  17          1HB       GLN  17   6.548   9.107  -1.083
  123   1HG   GLN  17          2HG       GLN  17   8.233  10.830  -0.644
  124   2HG   GLN  17          1HG       GLN  17   7.066  12.067  -1.105
  125   1HE2  GLN  17          1HE2      GLN  17   6.106  13.009   0.526
  126   2HE2  GLN  17          2HE2      GLN  17   5.775  12.299   2.063
  127    H    VAL  18           H        VAL  18   4.838  10.075  -4.288
  128    HA   VAL  18           HA       VAL  18   4.507   7.227  -4.482
  129    HB   VAL  18           HB       VAL  18   2.839   9.475  -5.617
  130   1HG1  VAL  18          1HG1      VAL  18   2.528   6.497  -5.726
  131   2HG1  VAL  18          2HG1      VAL  18   2.303   7.690  -7.006
  132   3HG1  VAL  18          3HG1      VAL  18   1.112   7.549  -5.713
  133   1HG2  VAL  18          1HG2      VAL  18   1.906   9.602  -3.612
  134   2HG2  VAL  18          2HG2      VAL  18   3.137   8.493  -3.007
  135   3HG2  VAL  18          3HG2      VAL  18   1.598   7.865  -3.598
  136    H    ASN  19           H        ASN  19   5.680   9.754  -6.622
  137    HA   ASN  19           HA       ASN  19   5.350   8.361  -9.048
  138   1HB   ASN  19          2HB       ASN  19   7.344  10.477  -8.241
  139   2HB   ASN  19          1HB       ASN  19   7.239   9.829  -9.875
  140   1HD2  ASN  19          1HD2      ASN  19   6.488  12.421  -8.234
  141   2HD2  ASN  19          2HD2      ASN  19   4.994  12.881  -8.964
  142    H    ALA  20           H        ALA  20   8.080   8.428  -6.772
  143    HA   ALA  20           HA       ALA  20   9.583   6.532  -8.355
  144   1HB   ALA  20          1HB       ALA  20  10.836   8.192  -7.170
  145   2HB   ALA  20          2HB       ALA  20  11.192   6.622  -6.454
  146   3HB   ALA  20          3HB       ALA  20  10.092   7.731  -5.638
  147    H    ALA  21           H        ALA  21   7.235   6.400  -5.866
  148    HA   ALA  21           HA       ALA  21   7.963   3.921  -4.684
  149   1HB   ALA  21          1HB       ALA  21   6.365   5.713  -3.792
  150   2HB   ALA  21          2HB       ALA  21   5.928   4.023  -3.546
  151   3HB   ALA  21          3HB       ALA  21   5.154   4.958  -4.826
  152    H    LEU  22           H        LEU  22   5.702   4.803  -7.273
  153    HA   LEU  22           HA       LEU  22   5.051   2.032  -7.787
  154   1HB   LEU  22          2HB       LEU  22   3.639   2.967  -9.604
  155   2HB   LEU  22          1HB       LEU  22   3.268   3.601  -8.016
  156    HG   LEU  22           HG       LEU  22   4.713   5.612  -8.652
  157   1HD1  LEU  22          1HD1      LEU  22   4.202   5.495 -11.433
  158   2HD1  LEU  22          2HD1      LEU  22   5.089   4.038 -10.984
  159   3HD1  LEU  22          3HD1      LEU  22   5.753   5.628 -10.604
  160   1HD2  LEU  22          1HD2      LEU  22   2.385   5.545 -10.473
  161   2HD2  LEU  22          2HD2      LEU  22   2.838   6.730  -9.247
  162   3HD2  LEU  22          3HD2      LEU  22   2.079   5.211  -8.768
  163    H    LYS  23           H        LYS  23   7.393   4.281  -8.838
  164    HA   LYS  23           HA       LYS  23   7.835   3.016 -11.408
  165   1HB   LYS  23          2HB       LYS  23   8.164   5.433 -11.164
  166   2HB   LYS  23          1HB       LYS  23   9.416   5.150  -9.963
  167   1HG   LYS  23          2HG       LYS  23  10.397   5.693 -12.107
  168   2HG   LYS  23          1HG       LYS  23  10.785   4.033 -11.655
  169   1HD   LYS  23          2HD       LYS  23   9.009   3.215 -13.125
  170   2HD   LYS  23          1HD       LYS  23   8.605   4.877 -13.566
  171   1HE   LYS  23          2HE       LYS  23   9.982   3.822 -15.281
  172   2HE   LYS  23          1HE       LYS  23  10.830   5.170 -14.524
  173   1HZ   LYS  23          1HZ       LYS  23  11.220   2.334 -13.744
  174   2HZ   LYS  23          2HZ       LYS  23  12.137   3.665 -13.250
  175   3HZ   LYS  23          3HZ       LYS  23  12.201   3.144 -14.857
  176    H    ALA  24           H        ALA  24   9.262   3.020  -8.204
  177    HA   ALA  24           HA       ALA  24  11.643   1.642  -8.888
  178   1HB   ALA  24          1HB       ALA  24  11.811   1.198  -6.449
  179   2HB   ALA  24          2HB       ALA  24  10.211   1.911  -6.251
  180   3HB   ALA  24          3HB       ALA  24  11.546   2.896  -6.846
  181    H    LEU  25           H        LEU  25   8.384   0.609  -8.330
  182    HA   LEU  25           HA       LEU  25   8.966  -2.108  -7.671
  183   1HB   LEU  25          2HB       LEU  25   6.463  -0.896  -8.862
  184   2HB   LEU  25          1HB       LEU  25   6.586  -2.511  -8.190
  185    HG   LEU  25           HG       LEU  25   6.955   0.047  -6.624
  186   1HD1  LEU  25          1HD1      LEU  25   4.592  -1.251  -7.497
  187   2HD1  LEU  25          2HD1      LEU  25   4.752   0.126  -6.407
  188   3HD1  LEU  25          3HD1      LEU  25   4.746  -1.514  -5.760
  189   1HD2  LEU  25          1HD2      LEU  25   6.663  -1.611  -4.700
  190   2HD2  LEU  25          2HD2      LEU  25   8.218  -1.593  -5.532
  191   3HD2  LEU  25          3HD2      LEU  25   7.044  -2.861  -5.885
  192    H    GLY  26           H        GLY  26   8.424  -0.345 -10.666
  193   1HA   GLY  26          2HA       GLY  26   8.202  -2.605 -12.366
  194   2HA   GLY  26          1HA       GLY  26   8.629  -0.974 -12.869
  195    H    ASP  27           H        ASP  27  10.809  -1.402 -10.625
  196    HA   ASP  27           HA       ASP  27  12.771  -2.571 -12.476
  197   1HB   ASP  27          2HB       ASP  27  13.187  -0.231 -11.824
  198   2HB   ASP  27          1HB       ASP  27  13.201  -0.705 -10.128
  199    H    ILE  28           H        ILE  28  11.311  -2.861  -9.343
  200    HA   ILE  28           HA       ILE  28  13.155  -4.366  -7.947
  201    HB   ILE  28           HB       ILE  28  10.142  -4.531  -7.931
  202   1HG1  ILE  28          2HG1      ILE  28  12.175  -3.252  -6.087
  203   2HG1  ILE  28          1HG1      ILE  28  11.053  -2.416  -7.154
  204   1HG2  ILE  28          1HG2      ILE  28  12.109  -5.895  -6.097
  205   2HG2  ILE  28          2HG2      ILE  28  10.930  -6.666  -7.159
  206   3HG2  ILE  28          3HG2      ILE  28  10.383  -5.729  -5.769
  207   1HD1  ILE  28          1HD1      ILE  28   9.370  -3.926  -5.629
  208   2HD1  ILE  28          2HD1      ILE  28   9.778  -2.236  -5.337
  209   3HD1  ILE  28          3HD1      ILE  28  10.648  -3.512  -4.486
  210    HA   PRO  29           HA       PRO  29  13.932  -8.102 -10.137
  211   1HB   PRO  29          2HB       PRO  29  13.929  -9.763  -7.861
  212   2HB   PRO  29          1HB       PRO  29  15.326  -8.961  -8.582
  213   1HG   PRO  29          2HG       PRO  29  13.654  -8.136  -6.262
  214   2HG   PRO  29          1HG       PRO  29  15.392  -7.911  -6.537
  215   1HD   PRO  29          2HD       PRO  29  13.676  -5.873  -6.799
  216   2HD   PRO  29          1HD       PRO  29  15.057  -6.059  -7.906
  217    H    GLU  30           H        GLU  30  12.620  -9.374 -11.219
  218    HA   GLU  30           HA       GLU  30  10.791 -10.545 -11.881
  219   1HB   GLU  30          2HB       GLU  30  10.777 -11.383  -8.978
  220   2HB   GLU  30          1HB       GLU  30   9.927 -12.199 -10.281
  221   1HG   GLU  30          2HG       GLU  30  12.913 -11.863 -10.119
  222   2HG   GLU  30          1HG       GLU  30  12.029 -13.309  -9.636
  223    H    SER  31           H        SER  31  10.392  -7.796 -10.648
  224    HA   SER  31           HA       SER  31   7.536  -8.098  -9.995
  225   1HB   SER  31          2HB       SER  31   9.437  -5.877  -9.212
  226   2HB   SER  31          1HB       SER  31   7.712  -5.911  -8.848
  227    HG   SER  31           HG       SER  31   9.225  -8.123  -8.093
  228    H    HIS  32           H        HIS  32   6.036  -7.062 -11.198
  229    HA   HIS  32           HA       HIS  32   6.885  -4.992 -13.079
  230   1HB   HIS  32          2HB       HIS  32   7.148  -7.255 -14.167
  231   2HB   HIS  32          1HB       HIS  32   5.408  -7.444 -14.035
  232    HD1  HIS  32           1HD      HIS  32   6.083  -7.625 -16.787
  233    HD2  HIS  32           2HD      HIS  32   5.860  -3.881 -14.996
  234    HE1  HIS  32           1HE      HIS  32   5.768  -5.993 -18.674
  235    HE2  HIS  32           2HE      HIS  32   5.683  -3.729 -17.572
  236    H    ILE  33           H        ILE  33   5.524  -3.436 -12.305
  237    HA   ILE  33           HA       ILE  33   2.938  -3.854 -11.327
  238    HB   ILE  33           HB       ILE  33   4.379  -1.431 -12.332
  239   1HG1  ILE  33          2HG1      ILE  33   3.117  -2.183  -9.691
  240   2HG1  ILE  33          1HG1      ILE  33   4.829  -2.296 -10.083
  241   1HG2  ILE  33          1HG2      ILE  33   1.470  -1.495 -11.529
  242   2HG2  ILE  33          2HG2      ILE  33   2.104  -1.111 -13.128
  243   3HG2  ILE  33          3HG2      ILE  33   2.434  -0.037 -11.770
  244   1HD1  ILE  33          1HD1      ILE  33   5.101  -0.230  -9.353
  245   2HD1  ILE  33          2HD1      ILE  33   3.370  -0.088  -9.053
  246   3HD1  ILE  33          3HD1      ILE  33   4.029   0.349 -10.627
  247    H    LEU  34           H        LEU  34   0.975  -3.976 -12.214
  248    HA   LEU  34           HA       LEU  34   0.832  -4.109 -15.135
  249   1HB   LEU  34          2HB       LEU  34   0.082  -5.993 -13.558
  250   2HB   LEU  34          1HB       LEU  34  -1.295  -4.976 -13.189
  251    HG   LEU  34           HG       LEU  34  -0.619  -5.888 -15.985
  252   1HD1  LEU  34          1HD1      LEU  34  -2.205  -7.192 -13.819
  253   2HD1  LEU  34          2HD1      LEU  34  -1.075  -7.906 -14.969
  254   3HD1  LEU  34          3HD1      LEU  34  -2.676  -7.398 -15.506
  255   1HD2  LEU  34          1HD2      LEU  34  -3.222  -5.446 -16.059
  256   2HD2  LEU  34          2HD2      LEU  34  -2.058  -4.142 -16.300
  257   3HD2  LEU  34          3HD2      LEU  34  -2.833  -4.353 -14.730
  258    H    THR  35           H        THR  35  -0.859  -2.680 -12.347
  259    HA   THR  35           HA       THR  35  -1.730  -0.491 -14.084
  260    HB   THR  35           HB       THR  35  -3.975  -0.510 -12.986
  261    HG1  THR  35           1HG      THR  35  -3.802  -3.149 -12.296
  262   1HG2  THR  35          1HG2      THR  35  -4.677  -1.539 -14.802
  263   2HG2  THR  35          2HG2      THR  35  -4.284  -3.095 -14.069
  264   3HG2  THR  35          3HG2      THR  35  -3.079  -2.248 -15.042
  265    H    VAL  36           H        VAL  36  -2.499   1.398 -12.812
  266    HA   VAL  36           HA       VAL  36  -1.518   1.480 -10.062
  267    HB   VAL  36           HB       VAL  36   0.393   2.181 -11.405
  268   1HG1  VAL  36          1HG1      VAL  36  -1.063   3.018 -13.314
  269   2HG1  VAL  36          2HG1      VAL  36   0.370   3.969 -12.927
  270   3HG1  VAL  36          3HG1      VAL  36  -1.220   4.513 -12.392
  271   1HG2  VAL  36          1HG2      VAL  36   0.292   3.221  -9.295
  272   2HG2  VAL  36          2HG2      VAL  36  -0.996   4.313  -9.806
  273   3HG2  VAL  36          3HG2      VAL  36   0.638   4.519 -10.439
  274    H    SER  37           H        SER  37  -2.587   2.898  -8.756
  275    HA   SER  37           HA       SER  37  -5.061   3.983  -9.764
  276   1HB   SER  37          2HB       SER  37  -4.870   2.878  -7.530
  277   2HB   SER  37          1HB       SER  37  -3.865   4.221  -6.991
  278    HG   SER  37           HG       SER  37  -6.245   4.275  -6.558
  279    H    SER  38           H        SER  38  -5.270   6.293  -8.091
  280    HA   SER  38           HA       SER  38  -3.311   8.074  -9.390
  281   1HB   SER  38          2HB       SER  38  -5.069   9.808  -9.455
  282   2HB   SER  38          1HB       SER  38  -5.536   8.376 -10.370
  283    HG   SER  38           HG       SER  38  -6.534   9.358  -7.950
  284    H    PHE  39           H        PHE  39  -4.105  10.427  -8.064
  285    HA   PHE  39           HA       PHE  39  -2.897   9.924  -5.465
  286   1HB   PHE  39          2HB       PHE  39  -2.891  12.503  -5.399
  287   2HB   PHE  39          1HB       PHE  39  -1.824  11.701  -6.543
  288    HD1  PHE  39           1HD      PHE  39  -1.719  12.619  -8.651
  289    HD2  PHE  39           2HD      PHE  39  -5.327  12.972  -6.425
  290    HE1  PHE  39           1HE      PHE  39  -2.708  13.945 -10.471
  291    HE2  PHE  39           2HE      PHE  39  -6.324  14.295  -8.242
  292    HZ   PHE  39           HZ       PHE  39  -4.971  14.767 -10.305
  293    H    TYR  40           H        TYR  40  -3.846  10.342  -3.503
  294    HA   TYR  40           HA       TYR  40  -6.552  11.442  -3.463
  295   1HB   TYR  40          2HB       TYR  40  -5.882   8.761  -2.233
  296   2HB   TYR  40          1HB       TYR  40  -7.425   9.597  -2.114
  297    HD1  TYR  40           1HD      TYR  40  -5.143   7.832  -4.416
  298    HD2  TYR  40           2HD      TYR  40  -9.035   9.458  -3.866
  299    HE1  TYR  40           1HE      TYR  40  -5.893   6.715  -6.471
  300    HE2  TYR  40           2HE      TYR  40  -9.798   8.341  -5.919
  301    HH   TYR  40           HH       TYR  40  -9.096   6.310  -7.280
  302    H    ARG  41           H        ARG  41  -7.040  12.548  -1.663
  303    HA   ARG  41           HA       ARG  41  -4.948  12.978   0.312
  304   1HB   ARG  41          2HB       ARG  41  -6.136  14.920  -0.597
  305   2HB   ARG  41          1HB       ARG  41  -7.672  14.249  -0.074
  306   1HG   ARG  41          2HG       ARG  41  -6.862  14.422   2.283
  307   2HG   ARG  41          1HG       ARG  41  -5.437  15.264   1.666
  308   1HD   ARG  41          2HD       ARG  41  -6.825  17.011   0.735
  309   2HD   ARG  41          1HD       ARG  41  -8.283  16.149   1.212
  310    HE   ARG  41           HE       ARG  41  -6.755  17.891   2.827
  311   1HH1  ARG  41          1HH1      ARG  41  -8.539  14.899   2.974
  312   2HH1  ARG  41          2HH1      ARG  41  -8.921  15.062   4.654
  313   1HH2  ARG  41          1HH2      ARG  41  -7.257  18.111   5.037
  314   2HH2  ARG  41          2HH2      ARG  41  -8.193  16.887   5.828
  315    H    THR  42           H        THR  42  -5.011  12.138   2.397
  316    HA   THR  42           HA       THR  42  -7.541  11.188   3.449
  317    HB   THR  42           HB       THR  42  -6.954   9.280   2.126
  318    HG1  THR  42           1HG      THR  42  -6.280   7.845   4.072
  319   1HG2  THR  42          1HG2      THR  42  -4.618   9.550   1.753
  320   2HG2  THR  42          2HG2      THR  42  -4.875   8.002   2.558
  321   3HG2  THR  42          3HG2      THR  42  -4.272   9.383   3.474
  322    HA   PRO  43           HA       PRO  43  -5.536  12.814   7.114
  323   1HB   PRO  43          2HB       PRO  43  -7.287  11.310   8.760
  324   2HB   PRO  43          1HB       PRO  43  -7.456  13.007   8.310
  325   1HG   PRO  43          2HG       PRO  43  -8.757  10.601   7.148
  326   2HG   PRO  43          1HG       PRO  43  -9.366  12.262   7.280
  327   1HD   PRO  43          2HD       PRO  43  -8.536  11.261   4.937
  328   2HD   PRO  43          1HD       PRO  43  -8.236  12.958   5.373
  329    HA   PRO  44           HA       PRO  44  -2.908   9.106   7.191
  330   1HB   PRO  44          2HB       PRO  44  -1.373  10.889   8.986
  331   2HB   PRO  44          1HB       PRO  44  -0.831   9.946   7.594
  332   1HG   PRO  44          2HG       PRO  44  -1.144  12.605   7.454
  333   2HG   PRO  44          1HG       PRO  44  -1.507  11.551   6.078
  334   1HD   PRO  44          2HD       PRO  44  -3.361  12.939   7.942
  335   2HD   PRO  44          1HD       PRO  44  -3.565  12.549   6.224
  336    H    LEU  45           H        LEU  45  -1.546   8.271   9.253
  337    HA   LEU  45           HA       LEU  45  -3.120   8.356  11.695
  338   1HB   LEU  45          2HB       LEU  45  -2.806   5.834  10.058
  339   2HB   LEU  45          1HB       LEU  45  -3.286   5.844  11.743
  340    HG   LEU  45           HG       LEU  45  -4.831   7.130   9.493
  341   1HD1  LEU  45          1HD1      LEU  45  -6.464   5.246  10.240
  342   2HD1  LEU  45          2HD1      LEU  45  -4.996   4.469  10.837
  343   3HD1  LEU  45          3HD1      LEU  45  -5.148   4.877   9.127
  344   1HD2  LEU  45          1HD2      LEU  45  -5.340   8.340  11.436
  345   2HD2  LEU  45          2HD2      LEU  45  -5.308   6.897  12.449
  346   3HD2  LEU  45          3HD2      LEU  45  -6.627   7.142  11.307
  347    H    GLY  46           H        GLY  46  -2.080   6.765  13.319
  348   1HA   GLY  46          2HA       GLY  46  -0.192   5.984  14.404
  349   2HA   GLY  46          1HA       GLY  46   0.679   6.111  12.885
  350    HA   PRO  47           HA       PRO  47   2.330   9.623  15.234
  351   1HB   PRO  47          2HB       PRO  47   4.832   8.773  15.406
  352   2HB   PRO  47          1HB       PRO  47   3.555   8.018  16.363
  353   1HG   PRO  47          2HG       PRO  47   5.046   6.944  14.062
  354   2HG   PRO  47          1HG       PRO  47   4.104   6.080  15.289
  355   1HD   PRO  47          2HD       PRO  47   3.290   6.948  12.613
  356   2HD   PRO  47          1HD       PRO  47   2.463   5.840  13.732
  357    H    GLN  48           H        GLN  48   2.112  11.155  13.446
  358    HA   GLN  48           HA       GLN  48   4.623  12.002  12.456
  359   1HB   GLN  48          2HB       GLN  48   4.418  11.806  10.112
  360   2HB   GLN  48          1HB       GLN  48   4.092  10.217  10.753
  361   1HG   GLN  48          2HG       GLN  48   1.975  12.167   9.895
  362   2HG   GLN  48          1HG       GLN  48   2.652  10.921   8.864
  363   1HE2  GLN  48          1HE2      GLN  48   2.713   9.393  11.641
  364   2HE2  GLN  48          2HE2      GLN  48   1.149   8.702  11.689
  365    H    ASP  49           H        ASP  49   1.137  12.250  12.398
  366    HA   ASP  49           HA       ASP  49   0.712  14.675  13.356
  367   1HB   ASP  49          2HB       ASP  49   2.299  15.591  11.627
  368   2HB   ASP  49          1HB       ASP  49   1.118  15.161  10.397
  369    H    GLN  50           H        GLN  50  -0.054  12.556  10.736
  370    HA   GLN  50           HA       GLN  50  -1.988  11.872   9.762
  371   1HB   GLN  50          2HB       GLN  50  -3.204  12.613  12.410
  372   2HB   GLN  50          1HB       GLN  50  -3.920  11.577  11.192
  373   1HG   GLN  50          2HG       GLN  50  -3.040  10.285  13.019
  374   2HG   GLN  50          1HG       GLN  50  -2.171   9.946  11.526
  375   1HE2  GLN  50          1HE2      GLN  50  -0.171   9.568  11.947
  376   2HE2  GLN  50          2HE2      GLN  50   0.835  10.456  13.007
  377    HA   PRO  51           HA       PRO  51  -3.650  16.325   9.402
  378   1HB   PRO  51          2HB       PRO  51  -1.930  16.771   7.087
  379   2HB   PRO  51          1HB       PRO  51  -2.096  17.732   8.556
  380   1HG   PRO  51          2HG       PRO  51   0.130  16.305   8.011
  381   2HG   PRO  51          1HG       PRO  51  -0.448  16.574   9.662
  382   1HD   PRO  51          2HD       PRO  51  -0.769  14.150   7.912
  383   2HD   PRO  51          1HD       PRO  51  -0.328  14.248   9.627
  384    H    ASP  52           H        ASP  52  -2.425  15.192   6.266
  385    HA   ASP  52           HA       ASP  52  -4.974  14.137   5.451
  386   1HB   ASP  52          2HB       ASP  52  -5.216  15.721   3.532
  387   2HB   ASP  52          1HB       ASP  52  -5.455  16.479   5.102
  388    H    TYR  53           H        TYR  53  -2.010  15.528   4.090
  389    HA   TYR  53           HA       TYR  53  -0.623  14.806   2.429
  390   1HB   TYR  53          2HB       TYR  53  -0.788  12.572   4.403
  391   2HB   TYR  53          1HB       TYR  53   0.445  12.659   3.141
  392    HD1  TYR  53           1HD      TYR  53   0.060  13.280   6.446
  393    HD2  TYR  53           2HD      TYR  53   1.251  15.309   2.906
  394    HE1  TYR  53           1HE      TYR  53   1.402  14.856   7.791
  395    HE2  TYR  53           2HE      TYR  53   2.594  16.882   4.238
  396    HH   TYR  53           HH       TYR  53   2.854  16.538   7.758
  397    H    LEU  54           H        LEU  54  -0.043  12.334   1.302
  398    HA   LEU  54           HA       LEU  54  -2.520  11.747  -0.180
  399   1HB   LEU  54          2HB       LEU  54  -0.951  13.099  -1.459
  400   2HB   LEU  54          1HB       LEU  54   0.327  11.941  -1.167
  401    HG   LEU  54           HG       LEU  54  -2.148  11.191  -2.709
  402   1HD1  LEU  54          1HD1      LEU  54   0.262  12.716  -3.579
  403   2HD1  LEU  54          2HD1      LEU  54  -1.427  12.919  -4.046
  404   3HD1  LEU  54          3HD1      LEU  54  -0.490  11.569  -4.689
  405   1HD2  LEU  54          1HD2      LEU  54   0.053   9.745  -1.784
  406   2HD2  LEU  54          2HD2      LEU  54   0.346  10.000  -3.504
  407   3HD2  LEU  54          3HD2      LEU  54  -1.146   9.227  -2.973
  408    H    ASN  55           H        ASN  55  -2.810   9.649  -1.003
  409    HA   ASN  55           HA       ASN  55  -0.957   7.538  -0.316
  410   1HB   ASN  55          2HB       ASN  55  -2.328   7.831   1.757
  411   2HB   ASN  55          1HB       ASN  55  -3.766   7.468   0.810
  412   1HD2  ASN  55          1HD2      ASN  55  -4.392   5.435   0.753
  413   2HD2  ASN  55          2HD2      ASN  55  -3.416   4.060   1.128
  414    H    ALA  56           H        ALA  56  -1.418   5.568  -1.423
  415    HA   ALA  56           HA       ALA  56  -3.731   5.134  -2.977
  416   1HB   ALA  56          1HB       ALA  56  -2.608   5.413  -5.237
  417   2HB   ALA  56          2HB       ALA  56  -1.397   6.384  -4.397
  418   3HB   ALA  56          3HB       ALA  56  -3.085   6.892  -4.402
  419    H    ALA  57           H        ALA  57  -3.736   3.117  -3.973
  420    HA   ALA  57           HA       ALA  57  -1.479   1.398  -3.244
  421   1HB   ALA  57          1HB       ALA  57  -4.262   0.663  -4.144
  422   2HB   ALA  57          2HB       ALA  57  -3.710   0.746  -2.472
  423   3HB   ALA  57          3HB       ALA  57  -3.024  -0.453  -3.568
  424    H    VAL  58           H        VAL  58  -1.178  -0.513  -4.883
  425    HA   VAL  58           HA       VAL  58  -1.672   0.069  -7.634
  426    HB   VAL  58           HB       VAL  58   0.084   1.678  -7.337
  427   1HG1  VAL  58          1HG1      VAL  58   2.398   0.879  -6.725
  428   2HG1  VAL  58          2HG1      VAL  58   1.642  -0.618  -6.177
  429   3HG1  VAL  58          3HG1      VAL  58   1.225   0.913  -5.407
  430   1HG2  VAL  58          1HG2      VAL  58   0.529  -0.723  -8.990
  431   2HG2  VAL  58          2HG2      VAL  58   1.905   0.365  -8.809
  432   3HG2  VAL  58          3HG2      VAL  58   0.381   0.969  -9.460
  433    H    ALA  59           H        ALA  59  -1.763  -1.780  -8.720
  434    HA   ALA  59           HA       ALA  59  -0.986  -4.225  -7.436
  435   1HB   ALA  59          1HB       ALA  59  -2.523  -3.433  -9.816
  436   2HB   ALA  59          2HB       ALA  59  -2.851  -4.676  -8.609
  437   3HB   ALA  59          3HB       ALA  59  -1.713  -4.995  -9.915
  438    H    LEU  60           H        LEU  60   0.887  -5.225  -7.593
  439    HA   LEU  60           HA       LEU  60   2.689  -4.574  -9.830
  440   1HB   LEU  60          2HB       LEU  60   3.623  -3.844  -7.726
  441   2HB   LEU  60          1HB       LEU  60   3.313  -5.407  -6.996
  442    HG   LEU  60           HG       LEU  60   4.980  -6.424  -8.562
  443   1HD1  LEU  60          1HD1      LEU  60   6.166  -5.236 -10.088
  444   2HD1  LEU  60          2HD1      LEU  60   6.055  -3.729  -9.176
  445   3HD1  LEU  60          3HD1      LEU  60   4.674  -4.294 -10.114
  446   1HD2  LEU  60          1HD2      LEU  60   5.461  -4.654  -6.337
  447   2HD2  LEU  60          2HD2      LEU  60   6.833  -4.662  -7.444
  448   3HD2  LEU  60          3HD2      LEU  60   6.248  -6.176  -6.754
  449    H    GLU  61           H        GLU  61   2.518  -6.172 -11.293
  450    HA   GLU  61           HA       GLU  61   1.907  -8.871 -10.531
  451   1HB   GLU  61          2HB       GLU  61   1.303  -7.719 -12.738
  452   2HB   GLU  61          1HB       GLU  61   2.979  -7.960 -13.199
  453   1HG   GLU  61          2HG       GLU  61   1.098 -10.176 -12.422
  454   2HG   GLU  61          1HG       GLU  61   1.441  -9.683 -14.077
  455    H    THR  62           H        THR  62   3.523  -9.510  -9.144
  456    HA   THR  62           HA       THR  62   6.172  -9.856 -10.370
  457    HB   THR  62           HB       THR  62   6.322  -8.124  -8.691
  458    HG1  THR  62           1HG      THR  62   7.623 -10.462  -8.507
  459   1HG2  THR  62          1HG2      THR  62   5.191 -10.111  -6.737
  460   2HG2  THR  62          2HG2      THR  62   4.374  -8.668  -7.335
  461   3HG2  THR  62          3HG2      THR  62   5.828  -8.514  -6.350
  462    H    SER  63           H        SER  63   7.372 -11.664  -9.715
  463    HA   SER  63           HA       SER  63   5.729 -13.867  -8.651
  464   1HB   SER  63          2HB       SER  63   8.113 -13.990 -10.524
  465   2HB   SER  63          1HB       SER  63   7.232 -15.385  -9.906
  466    HG   SER  63           HG       SER  63   5.444 -13.763 -10.954
  467    H    LEU  64           H        LEU  64   7.802 -11.676  -7.705
  468    HA   LEU  64           HA       LEU  64   9.910 -13.138  -6.482
  469   1HB   LEU  64          2HB       LEU  64   9.713 -10.620  -7.011
  470   2HB   LEU  64          1HB       LEU  64   8.824 -10.507  -5.508
  471    HG   LEU  64           HG       LEU  64  11.253  -9.892  -5.392
  472   1HD1  LEU  64          1HD1      LEU  64   9.722 -10.819  -3.490
  473   2HD1  LEU  64          2HD1      LEU  64  11.454 -10.618  -3.223
  474   3HD1  LEU  64          3HD1      LEU  64  10.796 -12.214  -3.583
  475   1HD2  LEU  64          1HD2      LEU  64  11.575 -12.845  -5.874
  476   2HD2  LEU  64          2HD2      LEU  64  12.838 -11.817  -5.194
  477   3HD2  LEU  64          3HD2      LEU  64  12.239 -11.515  -6.826
  478    H    ALA  65           H        ALA  65  10.154 -13.761  -4.298
  479    HA   ALA  65           HA       ALA  65   8.082 -15.074  -3.090
  480   1HB   ALA  65          1HB       ALA  65  10.771 -14.313  -2.362
  481   2HB   ALA  65          2HB       ALA  65   9.856 -15.761  -1.939
  482   3HB   ALA  65          3HB       ALA  65   9.698 -14.301  -0.961
  483    HA   PRO  66           HA       PRO  66   5.355 -11.923  -1.556
  484   1HB   PRO  66          2HB       PRO  66   4.694 -13.886   0.547
  485   2HB   PRO  66          1HB       PRO  66   3.647 -13.088  -0.621
  486   1HG   PRO  66          2HG       PRO  66   4.316 -15.691  -0.824
  487   2HG   PRO  66          1HG       PRO  66   4.018 -14.668  -2.242
  488   1HD   PRO  66          2HD       PRO  66   6.592 -15.662  -1.134
  489   2HD   PRO  66          1HD       PRO  66   6.145 -15.297  -2.815
  490    H    GLU  67           H        GLU  67   7.837 -13.441   0.252
  491    HA   GLU  67           HA       GLU  67   7.456 -11.674   2.528
  492   1HB   GLU  67          2HB       GLU  67   9.571 -13.045   3.306
  493   2HB   GLU  67          1HB       GLU  67   7.942 -13.711   3.417
  494   1HG   GLU  67          2HG       GLU  67   8.266 -14.874   1.335
  495   2HG   GLU  67          1HG       GLU  67   9.879 -14.209   1.171
  496    H    GLU  68           H        GLU  68   9.714 -12.245  -0.095
  497    HA   GLU  68           HA       GLU  68  11.493 -10.197   0.943
  498   1HB   GLU  68          2HB       GLU  68  12.463 -12.197  -0.103
  499   2HB   GLU  68          1HB       GLU  68  11.713 -11.752  -1.633
  500   1HG   GLU  68          2HG       GLU  68  13.051  -9.794  -1.812
  501   2HG   GLU  68          1HG       GLU  68  13.659  -9.980  -0.167
  502    H    LEU  69           H        LEU  69   8.901 -10.422  -1.344
  503    HA   LEU  69           HA       LEU  69   9.514  -8.326  -3.065
  504   1HB   LEU  69          2HB       LEU  69   7.602  -9.668  -3.519
  505   2HB   LEU  69          1HB       LEU  69   6.851  -9.243  -1.996
  506    HG   LEU  69           HG       LEU  69   6.673  -6.888  -2.817
  507   1HD1  LEU  69          1HD1      LEU  69   8.213  -8.020  -4.998
  508   2HD1  LEU  69          2HD1      LEU  69   7.949  -6.334  -4.552
  509   3HD1  LEU  69          3HD1      LEU  69   6.769  -7.176  -5.559
  510   1HD2  LEU  69          1HD2      LEU  69   4.758  -8.349  -2.926
  511   2HD2  LEU  69          2HD2      LEU  69   5.322  -9.025  -4.454
  512   3HD2  LEU  69          3HD2      LEU  69   4.814  -7.338  -4.370
  513    H    LEU  70           H        LEU  70   7.431  -8.114  -0.163
  514    HA   LEU  70           HA       LEU  70   7.336  -5.328  -0.030
  515   1HB   LEU  70          2HB       LEU  70   5.892  -6.611   1.378
  516   2HB   LEU  70          1HB       LEU  70   7.242  -7.434   2.129
  517    HG   LEU  70           HG       LEU  70   6.865  -4.471   2.477
  518   1HD1  LEU  70          1HD1      LEU  70   5.638  -6.673   4.130
  519   2HD1  LEU  70          2HD1      LEU  70   4.765  -5.508   3.135
  520   3HD1  LEU  70          3HD1      LEU  70   5.658  -4.962   4.554
  521   1HD2  LEU  70          1HD2      LEU  70   8.937  -5.031   3.315
  522   2HD2  LEU  70          2HD2      LEU  70   8.421  -6.645   3.802
  523   3HD2  LEU  70          3HD2      LEU  70   7.922  -5.238   4.740
  524    H    ASN  71           H        ASN  71   9.566  -7.617   1.470
  525    HA   ASN  71           HA       ASN  71  11.253  -5.886   2.800
  526   1HB   ASN  71          2HB       ASN  71  11.445  -8.332   2.944
  527   2HB   ASN  71          1HB       ASN  71  12.046  -8.388   1.290
  528   1HD2  ASN  71          1HD2      ASN  71  12.910  -8.332   4.476
  529   2HD2  ASN  71          2HD2      ASN  71  14.557  -7.842   4.312
  530    H    HIS  72           H        HIS  72  11.012  -6.507  -0.632
  531    HA   HIS  72           HA       HIS  72  13.442  -5.134  -1.317
  532   1HB   HIS  72          2HB       HIS  72  11.158  -6.295  -2.864
  533   2HB   HIS  72          1HB       HIS  72  12.207  -5.124  -3.651
  534    HD1  HIS  72           1HD      HIS  72  14.948  -5.923  -2.887
  535    HD2  HIS  72           2HD      HIS  72  11.985  -8.725  -3.678
  536    HE1  HIS  72           1HE      HIS  72  16.167  -8.025  -3.531
  537    HE2  HIS  72           2HE      HIS  72  14.351  -9.664  -4.133
  538    H    THR  73           H        THR  73   9.966  -4.425  -1.516
  539    HA   THR  73           HA       THR  73  10.158  -1.829  -2.525
  540    HB   THR  73           HB       THR  73   7.916  -1.482  -1.637
  541    HG1  THR  73           1HG      THR  73   8.213  -2.394   0.421
  542   1HG2  THR  73          1HG2      THR  73   7.321  -4.204  -2.163
  543   2HG2  THR  73          2HG2      THR  73   8.605  -3.685  -3.256
  544   3HG2  THR  73          3HG2      THR  73   7.083  -2.796  -3.199
  545    H    GLN  74           H        GLN  74  11.061  -3.108   0.481
  546    HA   GLN  74           HA       GLN  74  10.721  -0.917   2.194
  547   1HB   GLN  74          2HB       GLN  74  12.685  -3.209   2.187
  548   2HB   GLN  74          1HB       GLN  74  12.653  -1.990   3.463
  549   1HG   GLN  74          2HG       GLN  74  10.385  -3.817   2.699
  550   2HG   GLN  74          1HG       GLN  74  11.433  -3.991   4.104
  551   1HE2  GLN  74          1HE2      GLN  74   8.490  -2.966   3.132
  552   2HE2  GLN  74          2HE2      GLN  74   8.142  -1.825   4.382
  553    H    ARG  75           H        ARG  75  13.337  -1.760  -0.035
  554    HA   ARG  75           HA       ARG  75  15.087   0.310   0.823
  555   1HB   ARG  75          2HB       ARG  75  16.437  -0.225  -1.061
  556   2HB   ARG  75          1HB       ARG  75  15.768  -1.740  -0.474
  557   1HG   ARG  75          2HG       ARG  75  14.048  -1.618  -2.242
  558   2HG   ARG  75          1HG       ARG  75  14.827  -0.163  -2.856
  559   1HD   ARG  75          2HD       ARG  75  16.873  -1.416  -3.269
  560   2HD   ARG  75          1HD       ARG  75  16.128  -2.873  -2.614
  561    HE   ARG  75           HE       ARG  75  14.523  -1.912  -4.698
  562   1HH1  ARG  75          1HH1      ARG  75  17.669  -3.332  -4.210
  563   2HH1  ARG  75          2HH1      ARG  75  17.712  -4.082  -5.771
  564   1HH2  ARG  75          1HH2      ARG  75  14.570  -2.899  -6.748
  565   2HH2  ARG  75          2HH2      ARG  75  15.950  -3.837  -7.214
  566    H    ILE  76           H        ILE  76  12.298   0.248  -1.174
  567    HA   ILE  76           HA       ILE  76  12.862   2.500  -2.806
  568    HB   ILE  76           HB       ILE  76  10.155   1.493  -1.895
  569   1HG1  ILE  76          2HG1      ILE  76  11.764   0.806  -4.368
  570   2HG1  ILE  76          1HG1      ILE  76  11.482  -0.265  -3.001
  571   1HG2  ILE  76          1HG2      ILE  76  10.152   2.633  -4.505
  572   2HG2  ILE  76          2HG2      ILE  76  10.907   3.776  -3.394
  573   3HG2  ILE  76          3HG2      ILE  76   9.285   3.167  -3.066
  574   1HD1  ILE  76          1HD1      ILE  76   9.545  -0.928  -3.835
  575   2HD1  ILE  76          2HD1      ILE  76   9.969  -0.061  -5.312
  576   3HD1  ILE  76          3HD1      ILE  76   9.000   0.733  -4.069
  577    H    GLU  77           H        GLU  77  11.942   2.018   0.435
  578    HA   GLU  77           HA       GLU  77  10.860   4.603   0.970
  579   1HB   GLU  77          2HB       GLU  77  11.965   2.426   2.749
  580   2HB   GLU  77          1HB       GLU  77  11.240   3.897   3.362
  581   1HG   GLU  77          2HG       GLU  77   9.134   3.317   2.266
  582   2HG   GLU  77          1HG       GLU  77   9.868   1.833   1.661
  583    H    LEU  78           H        LEU  78  14.024   3.147   0.953
  584    HA   LEU  78           HA       LEU  78  15.295   5.402   2.261
  585   1HB   LEU  78          2HB       LEU  78  16.560   3.032   0.882
  586   2HB   LEU  78          1HB       LEU  78  17.356   4.157   1.966
  587    HG   LEU  78           HG       LEU  78  15.165   2.231   2.753
  588   1HD1  LEU  78          1HD1      LEU  78  18.149   2.162   3.142
  589   2HD1  LEU  78          2HD1      LEU  78  17.144   0.993   2.285
  590   3HD1  LEU  78          3HD1      LEU  78  17.017   1.147   4.037
  591   1HD2  LEU  78          1HD2      LEU  78  16.652   4.368   4.216
  592   2HD2  LEU  78          2HD2      LEU  78  16.126   2.920   5.075
  593   3HD2  LEU  78          3HD2      LEU  78  14.940   3.951   4.273
  594    H    GLN  79           H        GLN  79  15.231   3.922  -0.964
  595    HA   GLN  79           HA       GLN  79  17.010   5.683  -2.214
  596   1HB   GLN  79          2HB       GLN  79  14.673   4.254  -3.476
  597   2HB   GLN  79          1HB       GLN  79  16.084   4.892  -4.311
  598   1HG   GLN  79          2HG       GLN  79  17.450   3.325  -2.857
  599   2HG   GLN  79          1HG       GLN  79  15.922   2.563  -2.438
  600   1HE2  GLN  79          1HE2      GLN  79  15.448   0.864  -3.593
  601   2HE2  GLN  79          2HE2      GLN  79  15.913   0.576  -5.229
  602    H    GLN  80           H        GLN  80  13.722   6.161  -1.250
  603    HA   GLN  80           HA       GLN  80  13.311   8.368  -3.082
  604   1HB   GLN  80          2HB       GLN  80  11.436   6.889  -2.495
  605   2HB   GLN  80          1HB       GLN  80  11.592   7.357  -0.809
  606   1HG   GLN  80          2HG       GLN  80   9.742   8.488  -1.965
  607   2HG   GLN  80          1HG       GLN  80  10.936   9.611  -1.316
  608   1HE2  GLN  80          1HE2      GLN  80   9.109   8.827  -3.966
  609   2HE2  GLN  80          2HE2      GLN  80   9.962   9.728  -5.167
  610    H    GLY  81           H        GLY  81  14.668   7.869  -0.015
  611   1HA   GLY  81          2HA       GLY  81  15.828   9.451   1.241
  612   2HA   GLY  81          1HA       GLY  81  15.049  10.725   0.311
  613    H    ARG  82           H        ARG  82  13.740   8.034   2.237
  614    HA   ARG  82           HA       ARG  82  11.586   9.471   3.245
  615   1HB   ARG  82          2HB       ARG  82  11.313   7.714   4.873
  616   2HB   ARG  82          1HB       ARG  82  11.793   7.000   3.340
  617   1HG   ARG  82          2HG       ARG  82  14.100   6.817   4.177
  618   2HG   ARG  82          1HG       ARG  82  13.568   7.476   5.725
  619   1HD   ARG  82          2HD       ARG  82  11.926   5.587   5.862
  620   2HD   ARG  82          1HD       ARG  82  12.698   4.896   4.434
  621    HE   ARG  82           HE       ARG  82  14.688   5.381   6.323
  622   1HH1  ARG  82          1HH1      ARG  82  11.885   3.349   5.925
  623   2HH1  ARG  82          2HH1      ARG  82  12.505   2.078   6.922
  624   1HH2  ARG  82          1HH2      ARG  82  15.513   3.710   7.641
  625   2HH2  ARG  82          2HH2      ARG  82  14.566   2.283   7.899
  626    H    VAL  83           H        VAL  83  11.244   9.976   5.604
  627    HA   VAL  83           HA       VAL  83  13.638  11.327   6.647
  628    HB   VAL  83           HB       VAL  83  10.793  12.276   6.961
  629   1HG1  VAL  83          1HG1      VAL  83  12.900  12.918   8.488
  630   2HG1  VAL  83          2HG1      VAL  83  11.610  14.057   8.097
  631   3HG1  VAL  83          3HG1      VAL  83  13.120  14.084   7.183
  632   1HG2  VAL  83          1HG2      VAL  83  12.204  12.205   4.602
  633   2HG2  VAL  83          2HG2      VAL  83  12.568  13.819   5.224
  634   3HG2  VAL  83          3HG2      VAL  83  10.892  13.326   4.981
  635    H    ARG  84           H        ARG  84  14.225   9.748   8.024
  636    HA   ARG  84           HA       ARG  84  12.658   8.251   9.728
  637   1HB   ARG  84          2HB       ARG  84  14.760   7.914  11.030
  638   2HB   ARG  84          1HB       ARG  84  14.912   7.610   9.304
  639   1HG   ARG  84          2HG       ARG  84  15.922   9.828   9.018
  640   2HG   ARG  84          1HG       ARG  84  15.806  10.091  10.759
  641   1HD   ARG  84          2HD       ARG  84  17.255   8.166  11.152
  642   2HD   ARG  84          1HD       ARG  84  17.357   7.881   9.415
  643    HE   ARG  84           HE       ARG  84  19.035   9.407   9.379
  644   1HH1  ARG  84          1HH1      ARG  84  16.934  10.207  12.045
  645   2HH1  ARG  84          2HH1      ARG  84  17.882  11.565  12.548
  646   1HH2  ARG  84          1HH2      ARG  84  20.285  11.189  10.038
  647   2HH2  ARG  84          2HH2      ARG  84  19.786  12.124  11.409
  648    H    LYS  85           H        LYS  85  11.567   8.637  11.432
  649    HA   LYS  85           HA       LYS  85  12.350  10.527  13.455
  650   1HB   LYS  85          2HB       LYS  85   9.843  10.913  11.816
  651   2HB   LYS  85          1HB       LYS  85  10.012  11.574  13.437
  652   1HG   LYS  85          2HG       LYS  85  11.912  12.899  12.724
  653   2HG   LYS  85          1HG       LYS  85  11.825  12.190  11.111
  654   1HD   LYS  85          2HD       LYS  85   9.566  13.743  12.361
  655   2HD   LYS  85          1HD       LYS  85  10.810  14.488  11.358
  656   1HE   LYS  85          2HE       LYS  85   8.888  14.030   9.993
  657   2HE   LYS  85          1HE       LYS  85  10.188  12.937   9.523
  658   1HZ   LYS  85          1HZ       LYS  85   8.139  12.097  11.472
  659   2HZ   LYS  85          2HZ       LYS  85   9.131  11.137  10.496
  660   3HZ   LYS  85          3HZ       LYS  85   7.843  11.994   9.810
  661    H    ALA  86           H        ALA  86   9.054   9.506  12.951
  662    HA   ALA  86           HA       ALA  86   9.449   7.133  14.592
  663   1HB   ALA  86          1HB       ALA  86   7.950   9.549  15.446
  664   2HB   ALA  86          2HB       ALA  86   8.847   8.373  16.408
  665   3HB   ALA  86          3HB       ALA  86   7.235   7.978  15.812
  666    H    GLU  87           H        GLU  87   8.694   5.646  13.228
  667    HA   GLU  87           HA       GLU  87   6.028   6.069  12.073
  668   1HB   GLU  87          2HB       GLU  87   7.544   6.358  10.254
  669   2HB   GLU  87          1HB       GLU  87   8.462   4.924  10.706
  670   1HG   GLU  87          2HG       GLU  87   6.467   3.547  10.177
  671   2HG   GLU  87          1HG       GLU  87   5.661   5.009   9.609
  672    H    ARG  88           H        ARG  88   5.082   4.861  13.749
  673    HA   ARG  88           HA       ARG  88   5.901   2.045  13.913
  674   1HB   ARG  88          2HB       ARG  88   4.085   3.619  15.747
  675   2HB   ARG  88          1HB       ARG  88   4.630   1.968  16.000
  676   1HG   ARG  88          2HG       ARG  88   6.934   2.749  16.184
  677   2HG   ARG  88          1HG       ARG  88   6.394   4.408  15.919
  678   1HD   ARG  88          2HD       ARG  88   5.003   4.248  17.950
  679   2HD   ARG  88          1HD       ARG  88   5.624   2.620  18.224
  680    HE   ARG  88           HE       ARG  88   7.795   4.376  17.995
  681   1HH1  ARG  88          1HH1      ARG  88   5.147   3.685  20.151
  682   2HH1  ARG  88          2HH1      ARG  88   5.979   4.249  21.561
  683   1HH2  ARG  88          1HH2      ARG  88   8.898   5.119  19.847
  684   2HH2  ARG  88          2HH2      ARG  88   8.113   5.065  21.388
  685    H    TRP  89           H        TRP  89   2.892   3.955  13.914
  686    HA   TRP  89           HA       TRP  89   1.634   1.783  12.372
  687   1HB   TRP  89          2HB       TRP  89   0.810   1.928  14.721
  688   2HB   TRP  89          1HB       TRP  89   0.274   3.572  14.400
  689    HD1  TRP  89           HD       TRP  89  -0.292   0.244  12.455
  690    HE1  TRP  89           1HE      TRP  89  -2.814   0.040  11.979
  691    HE3  TRP  89           3HE      TRP  89  -1.903   4.515  14.757
  692    HZ2  TRP  89           2HZ      TRP  89  -5.172   1.499  12.506
  693    HZ3  TRP  89           3HZ      TRP  89  -4.307   5.038  14.725
  694    HH2  TRP  89           HH       TRP  89  -5.907   3.561  13.623
  695    H    GLY  90           H        GLY  90   2.871   4.697  11.941
  696   1HA   GLY  90          2HA       GLY  90   0.684   5.526  10.137
  697   2HA   GLY  90          1HA       GLY  90   1.586   6.688  11.089
  698    HA   PRO  91           HA       PRO  91   3.465   6.159   6.799
  699   1HB   PRO  91          2HB       PRO  91   2.729   8.993   6.444
  700   2HB   PRO  91          1HB       PRO  91   2.400   7.609   5.391
  701   1HG   PRO  91          2HG       PRO  91   0.439   8.782   6.775
  702   2HG   PRO  91          1HG       PRO  91   0.474   7.022   6.560
  703   1HD   PRO  91          2HD       PRO  91   1.392   8.650   8.916
  704   2HD   PRO  91          1HD       PRO  91   0.329   7.225   8.902
  705    H    ARG  92           H        ARG  92   3.542   9.481   8.093
  706    HA   ARG  92           HA       ARG  92   5.228  10.804   8.840
  707   1HB   ARG  92          2HB       ARG  92   6.317   9.634  10.410
  708   2HB   ARG  92          1HB       ARG  92   6.191   8.140   9.498
  709   1HG   ARG  92          2HG       ARG  92   8.218  10.115   8.602
  710   2HG   ARG  92          1HG       ARG  92   8.526   9.251  10.109
  711   1HD   ARG  92          2HD       ARG  92   7.993   7.130   8.816
  712   2HD   ARG  92          1HD       ARG  92   8.101   8.117   7.362
  713    HE   ARG  92           HE       ARG  92  10.418   8.566   8.820
  714   1HH1  ARG  92          1HH1      ARG  92   8.849   5.925   7.175
  715   2HH1  ARG  92          2HH1      ARG  92  10.326   5.085   6.841
  716   1HH2  ARG  92          1HH2      ARG  92  12.366   7.467   8.387
  717   2HH2  ARG  92          2HH2      ARG  92  12.326   5.960   7.538
  718    H    THR  93           H        THR  93   5.490   8.767   6.195
  719    HA   THR  93           HA       THR  93   6.545  10.696   4.456
  720    HB   THR  93           HB       THR  93   8.603   9.315   3.772
  721    HG1  THR  93           1HG      THR  93   9.118   7.704   4.957
  722   1HG2  THR  93          1HG2      THR  93   9.138  10.499   6.439
  723   2HG2  THR  93          2HG2      THR  93   8.574  11.540   5.132
  724   3HG2  THR  93          3HG2      THR  93  10.058  10.609   4.939
  725    H    LEU  94           H        LEU  94   7.616   7.422   4.020
  726    HA   LEU  94           HA       LEU  94   5.206   6.753   2.483
  727   1HB   LEU  94          2HB       LEU  94   6.442   6.045   0.574
  728   2HB   LEU  94          1HB       LEU  94   6.946   7.682   0.941
  729    HG   LEU  94           HG       LEU  94   8.512   5.223   1.725
  730   1HD1  LEU  94          1HD1      LEU  94   9.695   5.324  -0.208
  731   2HD1  LEU  94          2HD1      LEU  94   9.466   7.063  -0.392
  732   3HD1  LEU  94          3HD1      LEU  94   8.164   5.952  -0.818
  733   1HD2  LEU  94          1HD2      LEU  94  10.325   6.815   2.113
  734   2HD2  LEU  94          2HD2      LEU  94   8.933   7.178   3.131
  735   3HD2  LEU  94          3HD2      LEU  94   9.251   8.150   1.696
  736    H    ASP  95           H        ASP  95   4.645   4.645   2.579
  737    HA   ASP  95           HA       ASP  95   6.528   2.684   3.594
  738   1HB   ASP  95          2HB       ASP  95   4.978   1.941   5.378
  739   2HB   ASP  95          1HB       ASP  95   5.601   3.562   5.653
  740    H    LEU  96           H        LEU  96   6.316   1.730   1.580
  741    HA   LEU  96           HA       LEU  96   3.677   0.772   0.802
  742   1HB   LEU  96          2HB       LEU  96   4.701   0.136  -1.314
  743   2HB   LEU  96          1HB       LEU  96   5.035   1.809  -0.937
  744    HG   LEU  96           HG       LEU  96   7.020  -0.424  -0.511
  745   1HD1  LEU  96          1HD1      LEU  96   6.166   0.891  -2.926
  746   2HD1  LEU  96          2HD1      LEU  96   7.309  -0.435  -2.712
  747   3HD1  LEU  96          3HD1      LEU  96   7.862   1.233  -2.588
  748   1HD2  LEU  96          1HD2      LEU  96   7.808   1.270   0.815
  749   2HD2  LEU  96          2HD2      LEU  96   7.062   2.533  -0.165
  750   3HD2  LEU  96          3HD2      LEU  96   8.524   1.729  -0.732
  751    H    ASP  97           H        ASP  97   3.106  -0.933   1.978
  752    HA   ASP  97           HA       ASP  97   4.977  -3.206   2.099
  753   1HB   ASP  97          2HB       ASP  97   2.892  -2.485   4.177
  754   2HB   ASP  97          1HB       ASP  97   4.051  -3.806   4.265
  755    H    ILE  98           H        ILE  98   4.102  -5.283   1.901
  756    HA   ILE  98           HA       ILE  98   2.025  -5.587   0.069
  757    HB   ILE  98           HB       ILE  98   3.548  -7.459   1.818
  758   1HG1  ILE  98          2HG1      ILE  98   4.375  -6.681  -0.379
  759   2HG1  ILE  98          1HG1      ILE  98   4.178  -8.427  -0.310
  760   1HG2  ILE  98          1HG2      ILE  98   2.112  -9.291   0.563
  761   2HG2  ILE  98          2HG2      ILE  98   0.874  -8.036   0.646
  762   3HG2  ILE  98          3HG2      ILE  98   1.616  -8.643   2.128
  763   1HD1  ILE  98          1HD1      ILE  98   1.815  -7.067  -1.306
  764   2HD1  ILE  98          2HD1      ILE  98   2.722  -8.414  -1.991
  765   3HD1  ILE  98          3HD1      ILE  98   3.252  -6.758  -2.281
  766    H    MET  99           H        MET  99  -0.066  -5.374   0.289
  767    HA   MET  99           HA       MET  99  -1.286  -5.757   2.945
  768   1HB   MET  99          2HB       MET  99  -2.324  -4.089   0.645
  769   2HB   MET  99          1HB       MET  99  -3.014  -4.193   2.258
  770   1HG   MET  99          2HG       MET  99  -0.333  -3.037   1.534
  771   2HG   MET  99          1HG       MET  99  -1.777  -2.136   1.991
  772   1HE   MET  99          1HE       MET  99   0.266  -1.156   3.111
  773   2HE   MET  99          2HE       MET  99   1.320  -2.038   4.216
  774   3HE   MET  99          3HE       MET  99  -0.044  -1.114   4.846
  775    H    LEU 100           H        LEU 100  -1.073  -6.894  -0.237
  776    HA   LEU 100           HA       LEU 100  -2.878  -9.036   0.241
  777   1HB   LEU 100          2HB       LEU 100  -3.942  -6.635  -0.979
  778   2HB   LEU 100          1HB       LEU 100  -4.073  -7.993  -2.080
  779    HG   LEU 100           HG       LEU 100  -5.159  -7.914   0.741
  780   1HD1  LEU 100          1HD1      LEU 100  -6.988  -8.190  -1.533
  781   2HD1  LEU 100          2HD1      LEU 100  -6.180  -6.625  -1.422
  782   3HD1  LEU 100          3HD1      LEU 100  -7.135  -7.223  -0.064
  783   1HD2  LEU 100          1HD2      LEU 100  -4.719 -10.074  -1.161
  784   2HD2  LEU 100          2HD2      LEU 100  -6.395  -9.957  -0.624
  785   3HD2  LEU 100          3HD2      LEU 100  -5.100 -10.139   0.560
  786    H    PHE 101           H        PHE 101  -0.883 -10.105  -0.339
  787    HA   PHE 101           HA       PHE 101  -0.021  -9.801  -3.110
  788   1HB   PHE 101          2HB       PHE 101   1.655 -10.003  -1.262
  789   2HB   PHE 101          1HB       PHE 101   1.095 -11.652  -0.994
  790    HD1  PHE 101           1HD      PHE 101   1.894 -13.427  -2.304
  791    HD2  PHE 101           2HD      PHE 101   2.649  -9.415  -3.493
  792    HE1  PHE 101           1HE      PHE 101   3.486 -14.233  -3.996
  793    HE2  PHE 101           2HE      PHE 101   4.238 -10.215  -5.195
  794    HZ   PHE 101           HZ       PHE 101   4.572 -12.639  -5.520
  795    H    GLY 102           H        GLY 102  -1.911 -10.641  -4.121
  796   1HA   GLY 102          2HA       GLY 102  -3.029 -12.308  -5.234
  797   2HA   GLY 102          1HA       GLY 102  -1.740 -13.393  -4.742
  798    H    ASN 103           H        ASN 103  -2.569 -15.121  -3.819
  799    HA   ASN 103           HA       ASN 103  -4.800 -14.801  -1.906
  800   1HB   ASN 103          2HB       ASN 103  -5.533 -17.055  -2.565
  801   2HB   ASN 103          1HB       ASN 103  -5.520 -15.957  -3.944
  802   1HD2  ASN 103          1HD2      ASN 103  -4.233 -18.808  -2.564
  803   2HD2  ASN 103          2HD2      ASN 103  -3.184 -19.242  -3.866
  804    H    GLU 104           H        GLU 104  -1.658 -15.120  -1.775
  805    HA   GLU 104           HA       GLU 104  -1.509 -17.528  -0.170
  806   1HB   GLU 104          2HB       GLU 104   0.895 -16.994   0.010
  807   2HB   GLU 104          1HB       GLU 104   0.324 -17.192  -1.629
  808   1HG   GLU 104          2HG       GLU 104   1.813 -15.350  -1.613
  809   2HG   GLU 104          1HG       GLU 104   0.185 -14.707  -1.804
  810    H    VAL 105           H        VAL 105  -0.229 -17.377   1.873
  811    HA   VAL 105           HA       VAL 105  -0.776 -14.950   3.394
  812    HB   VAL 105           HB       VAL 105  -1.858 -17.681   4.009
  813   1HG1  VAL 105          1HG1      VAL 105  -1.144 -17.290   6.139
  814   2HG1  VAL 105          2HG1      VAL 105  -2.598 -16.296   6.191
  815   3HG1  VAL 105          3HG1      VAL 105  -1.027 -15.548   5.895
  816   1HG2  VAL 105          1HG2      VAL 105  -3.441 -16.451   2.835
  817   2HG2  VAL 105          2HG2      VAL 105  -3.000 -14.939   3.633
  818   3HG2  VAL 105          3HG2      VAL 105  -3.891 -16.177   4.519
  819    H    ILE 106           H        ILE 106   1.385 -14.563   3.575
  820    HA   ILE 106           HA       ILE 106   2.833 -16.338   5.391
  821    HB   ILE 106           HB       ILE 106   4.067 -15.154   2.895
  822   1HG1  ILE 106          2HG1      ILE 106   3.521 -18.064   3.529
  823   2HG1  ILE 106          1HG1      ILE 106   2.535 -17.080   2.450
  824   1HG2  ILE 106          1HG2      ILE 106   5.201 -16.058   5.341
  825   2HG2  ILE 106          2HG2      ILE 106   6.021 -15.465   3.896
  826   3HG2  ILE 106          3HG2      ILE 106   5.659 -17.183   4.065
  827   1HD1  ILE 106          1HD1      ILE 106   5.132 -18.352   2.001
  828   2HD1  ILE 106          2HD1      ILE 106   4.995 -16.702   1.391
  829   3HD1  ILE 106          3HD1      ILE 106   3.853 -17.937   0.860
  830    H    ASN 107           H        ASN 107   2.813 -15.005   7.074
  831    HA   ASN 107           HA       ASN 107   3.524 -12.197   6.730
  832   1HB   ASN 107          2HB       ASN 107   2.907 -13.511   9.366
  833   2HB   ASN 107          1HB       ASN 107   2.649 -11.838   8.877
  834   1HD2  ASN 107          1HD2      ASN 107   0.761 -11.272   7.986
  835   2HD2  ASN 107          2HD2      ASN 107  -0.550 -12.352   7.682
  836    H    THR 108           H        THR 108   5.647 -11.921   6.532
  837    HA   THR 108           HA       THR 108   7.448 -13.646   8.043
  838    HB   THR 108           HB       THR 108   8.524 -11.520   6.281
  839    HG1  THR 108           1HG      THR 108   7.252 -13.808   5.205
  840   1HG2  THR 108          1HG2      THR 108  10.211 -12.950   5.943
  841   2HG2  THR 108          2HG2      THR 108   9.136 -14.344   5.818
  842   3HG2  THR 108          3HG2      THR 108   9.599 -13.727   7.403
  843    H    GLU 109           H        GLU 109   9.615 -11.722   8.051
  844    HA   GLU 109           HA       GLU 109   9.158 -10.585  10.623
  845   1HB   GLU 109          2HB       GLU 109  11.424 -10.161   8.667
  846   2HB   GLU 109          1HB       GLU 109  11.427  -9.627  10.341
  847   1HG   GLU 109          2HG       GLU 109  12.690 -11.619  10.252
  848   2HG   GLU 109          1HG       GLU 109  11.149 -12.023  11.006
  849    H    ARG 110           H        ARG 110  10.522  -8.768   7.929
  850    HA   ARG 110           HA       ARG 110   9.124  -6.382   8.736
  851   1HB   ARG 110          2HB       ARG 110  10.820  -6.924   6.288
  852   2HB   ARG 110          1HB       ARG 110  10.269  -5.348   6.822
  853   1HG   ARG 110          2HG       ARG 110  11.581  -5.600   8.884
  854   2HG   ARG 110          1HG       ARG 110  12.156  -7.166   8.307
  855   1HD   ARG 110          2HD       ARG 110  13.135  -6.041   6.338
  856   2HD   ARG 110          1HD       ARG 110  12.622  -4.489   6.997
  857    HE   ARG 110           HE       ARG 110  14.965  -5.872   7.667
  858   1HH1  ARG 110          1HH1      ARG 110  12.365  -4.141   9.221
  859   2HH1  ARG 110          2HH1      ARG 110  13.334  -3.647  10.569
  860   1HH2  ARG 110          1HH2      ARG 110  16.240  -5.222   9.437
  861   2HH2  ARG 110          2HH2      ARG 110  15.533  -4.260  10.691
  862    H    LEU 111           H        LEU 111   8.640  -9.032   6.705
  863    HA   LEU 111           HA       LEU 111   6.750  -7.702   4.953
  864   1HB   LEU 111          2HB       LEU 111   8.186  -9.374   3.940
  865   2HB   LEU 111          1HB       LEU 111   7.711 -10.547   5.140
  866    HG   LEU 111           HG       LEU 111   6.723 -10.810   2.838
  867   1HD1  LEU 111          1HD1      LEU 111   5.696 -11.407   5.293
  868   2HD1  LEU 111          2HD1      LEU 111   5.107 -12.015   3.745
  869   3HD1  LEU 111          3HD1      LEU 111   4.352 -10.603   4.485
  870   1HD2  LEU 111          1HD2      LEU 111   4.478  -9.337   2.838
  871   2HD2  LEU 111          2HD2      LEU 111   5.947  -8.893   1.970
  872   3HD2  LEU 111          3HD2      LEU 111   5.611  -8.190   3.552
  873    H    THR 112           H        THR 112   4.629  -7.993   4.922
  874    HA   THR 112           HA       THR 112   3.341  -9.840   6.759
  875    HB   THR 112           HB       THR 112   1.673  -7.859   7.195
  876    HG1  THR 112           1HG      THR 112   3.648  -6.606   5.942
  877   1HG2  THR 112          1HG2      THR 112   4.011  -7.281   8.826
  878   2HG2  THR 112          2HG2      THR 112   3.593  -8.994   8.758
  879   3HG2  THR 112          3HG2      THR 112   2.394  -7.816   9.294
  880    H    VAL 113           H        VAL 113   1.782 -10.904   5.644
  881    HA   VAL 113           HA       VAL 113   1.088  -9.863   3.046
  882    HB   VAL 113           HB       VAL 113  -0.306 -11.991   2.891
  883   1HG1  VAL 113          1HG1      VAL 113   1.732 -11.912   1.757
  884   2HG1  VAL 113          2HG1      VAL 113   1.742 -13.426   2.663
  885   3HG1  VAL 113          3HG1      VAL 113   2.661 -12.041   3.253
  886   1HG2  VAL 113          1HG2      VAL 113  -0.204 -13.636   4.464
  887   2HG2  VAL 113          2HG2      VAL 113  -0.243 -12.192   5.479
  888   3HG2  VAL 113          3HG2      VAL 113   1.287 -13.017   5.177
  889    HA   PRO 114           HA       PRO 114  -3.229  -8.423   3.291
  890   1HB   PRO 114          2HB       PRO 114  -4.035 -11.183   4.163
  891   2HB   PRO 114          1HB       PRO 114  -4.888 -10.051   3.113
  892   1HG   PRO 114          2HG       PRO 114  -3.216 -12.105   2.238
  893   2HG   PRO 114          1HG       PRO 114  -3.737 -10.717   1.271
  894   1HD   PRO 114          2HD       PRO 114  -1.097 -11.297   2.072
  895   2HD   PRO 114          1HD       PRO 114  -1.671  -9.760   1.395
  896    H    HIS 115           H        HIS 115  -2.422  -7.201   5.038
  897    HA   HIS 115           HA       HIS 115  -2.404  -8.193   7.716
  898   1HB   HIS 115          2HB       HIS 115  -0.870  -6.434   6.756
  899   2HB   HIS 115          1HB       HIS 115  -2.243  -5.336   6.740
  900    HD1  HIS 115           1HD      HIS 115  -3.435  -5.646   9.464
  901    HD2  HIS 115           2HD      HIS 115   0.669  -5.635   8.800
  902    HE1  HIS 115           1HE      HIS 115  -2.401  -4.963  11.653
  903    HE2  HIS 115           2HE      HIS 115   0.077  -4.891  11.207
  904    H    TYR 116           H        TYR 116  -4.077  -8.269   9.072
  905    HA   TYR 116           HA       TYR 116  -6.663  -7.421   8.349
  906   1HB   TYR 116          2HB       TYR 116  -7.012  -7.630  10.961
  907   2HB   TYR 116          1HB       TYR 116  -6.788  -9.056   9.958
  908    HD1  TYR 116           1HD      TYR 116  -4.123  -6.728  11.012
  909    HD2  TYR 116           2HD      TYR 116  -5.892 -10.552  11.622
  910    HE1  TYR 116           1HE      TYR 116  -2.216  -7.383  12.413
  911    HE2  TYR 116           2HE      TYR 116  -3.986 -11.213  13.023
  912    HH   TYR 116           HH       TYR 116  -1.216 -10.057  13.031
  913    H    ASP 117           H        ASP 117  -6.600  -5.296   7.703
  914    HA   ASP 117           HA       ASP 117  -6.967  -3.313   9.705
  915   1HB   ASP 117          2HB       ASP 117  -4.407  -3.727   9.607
  916   2HB   ASP 117          1HB       ASP 117  -4.488  -2.918   8.047
  917    H    MET 118           H        MET 118  -5.789  -3.781   6.402
  918    HA   MET 118           HA       MET 118  -6.649  -1.478   5.179
  919   1HB   MET 118          2HB       MET 118  -6.692  -2.816   3.094
  920   2HB   MET 118          1HB       MET 118  -5.245  -3.087   4.059
  921   1HG   MET 118          2HG       MET 118  -6.199  -5.162   4.914
  922   2HG   MET 118          1HG       MET 118  -7.656  -4.888   3.961
  923   1HE   MET 118          1HE       MET 118  -5.865  -7.911   2.180
  924   2HE   MET 118          2HE       MET 118  -7.343  -7.366   2.973
  925   3HE   MET 118          3HE       MET 118  -5.861  -7.559   3.908
  926    H    LYS 119           H        LYS 119  -8.502  -4.314   5.971
  927    HA   LYS 119           HA       LYS 119 -10.816  -3.512   4.464
  928   1HB   LYS 119          2HB       LYS 119 -11.839  -5.516   5.677
  929   2HB   LYS 119          1HB       LYS 119 -10.504  -5.816   4.570
  930   1HG   LYS 119          2HG       LYS 119  -8.960  -5.876   6.484
  931   2HG   LYS 119          1HG       LYS 119 -10.336  -5.669   7.572
  932   1HD   LYS 119          2HD       LYS 119 -11.290  -7.759   6.842
  933   2HD   LYS 119          1HD       LYS 119 -10.037  -7.944   5.612
  934   1HE   LYS 119          2HE       LYS 119  -9.580  -9.341   7.564
  935   2HE   LYS 119          1HE       LYS 119  -8.337  -8.111   7.348
  936   1HZ   LYS 119          1HZ       LYS 119  -9.341  -6.799   9.081
  937   2HZ   LYS 119          2HZ       LYS 119  -9.036  -8.355   9.670
  938   3HZ   LYS 119          3HZ       LYS 119 -10.612  -7.906   9.247
  939    H    ASN 120           H        ASN 120  -9.652  -2.053   6.958
  940    HA   ASN 120           HA       ASN 120 -12.288  -1.517   8.145
  941   1HB   ASN 120          2HB       ASN 120  -9.700  -1.539   9.711
  942   2HB   ASN 120          1HB       ASN 120 -11.328  -1.351  10.349
  943   1HD2  ASN 120          1HD2      ASN 120  -8.896  -3.396  10.225
  944   2HD2  ASN 120          2HD2      ASN 120  -9.719  -4.913  10.251
  945    H    ARG 121           H        ARG 121 -10.653  -0.255   6.021
  946    HA   ARG 121           HA       ARG 121 -10.696   2.462   7.067
  947   1HB   ARG 121          2HB       ARG 121  -8.268   1.353   5.641
  948   2HB   ARG 121          1HB       ARG 121  -8.466   2.987   6.259
  949   1HG   ARG 121          2HG       ARG 121  -8.500   0.555   8.021
  950   2HG   ARG 121          1HG       ARG 121  -7.026   1.438   7.631
  951   1HD   ARG 121          2HD       ARG 121  -9.468   2.510   9.047
  952   2HD   ARG 121          1HD       ARG 121  -7.899   2.170   9.772
  953    HE   ARG 121           HE       ARG 121  -7.053   4.116   8.812
  954   1HH1  ARG 121          1HH1      ARG 121 -10.372   3.594   7.880
  955   2HH1  ARG 121          2HH1      ARG 121 -10.562   5.173   7.196
  956   1HH2  ARG 121          1HH2      ARG 121  -7.303   6.200   7.922
  957   2HH2  ARG 121          2HH2      ARG 121  -8.821   6.652   7.221
  958    H    GLY 122           H        GLY 122  -9.568   3.759   4.915
  959   1HA   GLY 122          2HA       GLY 122 -11.138   2.836   2.595
  960   2HA   GLY 122          1HA       GLY 122 -11.252   4.497   3.144
  961    H    PHE 123           H        PHE 123  -8.130   3.454   3.649
  962    HA   PHE 123           HA       PHE 123  -7.290   4.753   1.164
  963   1HB   PHE 123          2HB       PHE 123  -5.024   4.875   2.357
  964   2HB   PHE 123          1HB       PHE 123  -6.312   5.913   2.943
  965    HD1  PHE 123           1HD      PHE 123  -5.413   2.352   3.575
  966    HD2  PHE 123           2HD      PHE 123  -6.094   6.214   5.216
  967    HE1  PHE 123           1HE      PHE 123  -5.106   1.439   5.839
  968    HE2  PHE 123           2HE      PHE 123  -5.783   5.312   7.482
  969    HZ   PHE 123           HZ       PHE 123  -5.208   2.995   7.814
  970    H    MET 124           H        MET 124  -7.174   1.766   2.881
  971    HA   MET 124           HA       MET 124  -5.234   0.651   1.014
  972   1HB   MET 124          2HB       MET 124  -6.538  -0.441   3.499
  973   2HB   MET 124          1HB       MET 124  -5.604  -1.460   2.413
  974   1HG   MET 124          2HG       MET 124  -3.646  -0.045   2.747
  975   2HG   MET 124          1HG       MET 124  -4.577   1.001   3.814
  976   1HE   MET 124          1HE       MET 124  -1.721  -0.423   4.720
  977   2HE   MET 124          2HE       MET 124  -2.229  -0.652   6.393
  978   3HE   MET 124          3HE       MET 124  -2.689   0.812   5.524
  979    H    LEU 125           H        LEU 125  -8.650   0.646   1.663
  980    HA   LEU 125           HA       LEU 125  -9.223  -1.580  -0.092
  981   1HB   LEU 125          2HB       LEU 125 -10.948   0.370   1.411
  982   2HB   LEU 125          1HB       LEU 125 -11.622  -0.793   0.292
  983    HG   LEU 125           HG       LEU 125 -10.130  -1.392   2.836
  984   1HD1  LEU 125          1HD1      LEU 125 -12.969  -1.982   2.038
  985   2HD1  LEU 125          2HD1      LEU 125 -12.472  -0.636   3.062
  986   3HD1  LEU 125          3HD1      LEU 125 -12.217  -2.297   3.602
  987   1HD2  LEU 125          1HD2      LEU 125 -11.409  -3.464   1.101
  988   2HD2  LEU 125          2HD2      LEU 125 -10.192  -3.660   2.362
  989   3HD2  LEU 125          3HD2      LEU 125  -9.746  -2.953   0.809
  990    H    TRP 126           H        TRP 126 -10.345   1.790  -0.114
  991    HA   TRP 126           HA       TRP 126 -11.511   1.869  -2.561
  992   1HB   TRP 126          2HB       TRP 126 -11.746   3.697  -1.062
  993   2HB   TRP 126          1HB       TRP 126 -10.022   4.038  -1.099
  994    HD1  TRP 126           HD       TRP 126  -9.897   6.361  -2.131
  995    HE1  TRP 126           1HE      TRP 126 -10.733   7.457  -4.307
  996    HE3  TRP 126           3HE      TRP 126 -12.786   2.537  -3.909
  997    HZ2  TRP 126           2HZ      TRP 126 -12.393   6.785  -6.487
  998    HZ3  TRP 126           3HZ      TRP 126 -13.966   2.845  -6.047
  999    HH2  TRP 126           HH       TRP 126 -13.772   4.927  -7.307
 1000    HA   PRO 127           HA       PRO 127  -7.490   3.338  -4.853
 1001   1HB   PRO 127          2HB       PRO 127  -5.366   2.411  -2.995
 1002   2HB   PRO 127          1HB       PRO 127  -5.457   3.889  -3.962
 1003   1HG   PRO 127          2HG       PRO 127  -5.836   4.000  -1.342
 1004   2HG   PRO 127          1HG       PRO 127  -6.851   4.958  -2.443
 1005   1HD   PRO 127          2HD       PRO 127  -7.487   2.359  -1.068
 1006   2HD   PRO 127          1HD       PRO 127  -8.500   3.811  -1.243
 1007    H    LEU 128           H        LEU 128  -7.104   0.464  -2.788
 1008    HA   LEU 128           HA       LEU 128  -5.714  -1.147  -4.628
 1009   1HB   LEU 128          2HB       LEU 128  -6.642  -1.431  -2.052
 1010   2HB   LEU 128          1HB       LEU 128  -7.640  -2.553  -2.945
 1011    HG   LEU 128           HG       LEU 128  -5.515  -3.563  -3.842
 1012   1HD1  LEU 128          1HD1      LEU 128  -4.437  -1.479  -2.061
 1013   2HD1  LEU 128          2HD1      LEU 128  -3.718  -2.245  -3.474
 1014   3HD1  LEU 128          3HD1      LEU 128  -3.687  -3.068  -1.916
 1015   1HD2  LEU 128          1HD2      LEU 128  -6.615  -4.853  -2.263
 1016   2HD2  LEU 128          2HD2      LEU 128  -6.391  -3.661  -0.983
 1017   3HD2  LEU 128          3HD2      LEU 128  -5.025  -4.634  -1.529
 1018    H    PHE 129           H        PHE 129  -9.082  -0.411  -4.195
 1019    HA   PHE 129           HA       PHE 129 -10.271  -2.423  -5.749
 1020   1HB   PHE 129          2HB       PHE 129 -11.606  -1.021  -4.305
 1021   2HB   PHE 129          1HB       PHE 129 -11.117   0.430  -5.171
 1022    HD1  PHE 129           1HD      PHE 129 -12.591   1.317  -6.703
 1023    HD2  PHE 129           2HD      PHE 129 -12.794  -2.838  -5.810
 1024    HE1  PHE 129           1HE      PHE 129 -14.578   1.110  -8.139
 1025    HE2  PHE 129           2HE      PHE 129 -14.779  -3.054  -7.247
 1026    HZ   PHE 129           HZ       PHE 129 -15.660  -1.041  -8.438
 1027    H    GLU 130           H        GLU 130  -8.272   0.149  -6.668
 1028    HA   GLU 130           HA       GLU 130  -9.270   0.138  -9.424
 1029   1HB   GLU 130          2HB       GLU 130  -9.059   2.338  -8.317
 1030   2HB   GLU 130          1HB       GLU 130  -7.340   2.051  -8.103
 1031   1HG   GLU 130          2HG       GLU 130  -7.665   3.497  -9.980
 1032   2HG   GLU 130          1HG       GLU 130  -7.086   1.934 -10.555
 1033    H    ILE 131           H        ILE 131  -6.531  -0.717  -7.443
 1034    HA   ILE 131           HA       ILE 131  -4.724  -0.998  -9.662
 1035    HB   ILE 131           HB       ILE 131  -3.100  -1.632  -8.139
 1036   1HG1  ILE 131          2HG1      ILE 131  -5.208  -2.483  -6.129
 1037   2HG1  ILE 131          1HG1      ILE 131  -4.380  -3.600  -7.204
 1038   1HG2  ILE 131          1HG2      ILE 131  -3.567   0.550  -7.549
 1039   2HG2  ILE 131          2HG2      ILE 131  -3.666  -0.279  -5.994
 1040   3HG2  ILE 131          3HG2      ILE 131  -5.141   0.138  -6.866
 1041   1HD1  ILE 131          1HD1      ILE 131  -2.790  -1.818  -5.435
 1042   2HD1  ILE 131          2HD1      ILE 131  -2.392  -3.405  -6.091
 1043   3HD1  ILE 131          3HD1      ILE 131  -3.556  -3.261  -4.775
 1044    H    ALA 132           H        ALA 132  -6.971  -2.975  -7.954
 1045    HA   ALA 132           HA       ALA 132  -7.469  -4.806  -9.874
 1046   1HB   ALA 132          1HB       ALA 132  -5.587  -6.000 -10.111
 1047   2HB   ALA 132          2HB       ALA 132  -6.050  -6.765  -8.592
 1048   3HB   ALA 132          3HB       ALA 132  -4.918  -5.414  -8.588
 1049    HA   PRO 133           HA       PRO 133  -9.888  -5.599  -6.103
 1050   1HB   PRO 133          2HB       PRO 133 -12.208  -4.661  -6.870
 1051   2HB   PRO 133          1HB       PRO 133 -10.860  -3.528  -6.631
 1052   1HG   PRO 133          2HG       PRO 133 -11.953  -4.662  -9.190
 1053   2HG   PRO 133          1HG       PRO 133 -11.455  -2.998  -8.828
 1054   1HD   PRO 133          2HD       PRO 133  -9.870  -4.961 -10.066
 1055   2HD   PRO 133          1HD       PRO 133  -9.286  -3.442  -9.363
 1056    H    GLU 134           H        GLU 134  -9.472  -7.226  -8.818
 1057    HA   GLU 134           HA       GLU 134 -11.935  -8.802  -8.726
 1058   1HB   GLU 134          2HB       GLU 134 -11.095  -9.866 -10.778
 1059   2HB   GLU 134          1HB       GLU 134 -11.175  -8.116 -10.936
 1060   1HG   GLU 134          2HG       GLU 134  -8.775  -7.959 -10.555
 1061   2HG   GLU 134          1HG       GLU 134  -8.686  -9.708 -10.367
 1062    H    LEU 135           H        LEU 135  -9.753  -8.795  -6.679
 1063    HA   LEU 135           HA       LEU 135  -8.771 -11.544  -6.904
 1064   1HB   LEU 135          2HB       LEU 135  -7.397  -9.409  -6.182
 1065   2HB   LEU 135          1HB       LEU 135  -8.102  -9.754  -4.615
 1066    HG   LEU 135           HG       LEU 135  -6.508 -11.768  -6.199
 1067   1HD1  LEU 135          1HD1      LEU 135  -4.824 -11.242  -4.280
 1068   2HD1  LEU 135          2HD1      LEU 135  -5.650  -9.685  -4.255
 1069   3HD1  LEU 135          3HD1      LEU 135  -4.865 -10.241  -5.732
 1070   1HD2  LEU 135          1HD2      LEU 135  -6.434 -12.203  -3.404
 1071   2HD2  LEU 135          2HD2      LEU 135  -7.162 -13.216  -4.650
 1072   3HD2  LEU 135          3HD2      LEU 135  -8.120 -11.959  -3.861
 1073    H    VAL 136           H        VAL 136  -9.213 -13.106  -5.415
 1074    HA   VAL 136           HA       VAL 136 -11.252 -12.471  -3.395
 1075    HB   VAL 136           HB       VAL 136 -12.463 -13.644  -5.054
 1076   1HG1  VAL 136          1HG1      VAL 136 -11.220 -16.153  -5.332
 1077   2HG1  VAL 136          2HG1      VAL 136  -9.950 -14.947  -5.536
 1078   3HG1  VAL 136          3HG1      VAL 136 -11.391 -14.892  -6.553
 1079   1HG2  VAL 136          1HG2      VAL 136 -12.882 -15.901  -3.934
 1080   2HG2  VAL 136          2HG2      VAL 136 -13.111 -14.455  -2.952
 1081   3HG2  VAL 136          3HG2      VAL 136 -11.648 -15.421  -2.772
 1082    H    PHE 137           H        PHE 137 -10.509 -12.816  -1.432
 1083    HA   PHE 137           HA       PHE 137  -8.059 -13.926  -0.787
 1084   1HB   PHE 137          2HB       PHE 137 -10.555 -13.593   0.886
 1085   2HB   PHE 137          1HB       PHE 137  -9.014 -14.112   1.553
 1086    HD1  PHE 137           1HD      PHE 137  -9.601 -11.528  -1.031
 1087    HD2  PHE 137           2HD      PHE 137  -8.487 -12.319   3.000
 1088    HE1  PHE 137           1HE      PHE 137  -8.947  -9.175  -0.749
 1089    HE2  PHE 137           2HE      PHE 137  -7.830  -9.970   3.283
 1090    HZ   PHE 137           HZ       PHE 137  -8.094  -8.398   1.513
 1091    HA   PRO 138           HA       PRO 138  -8.364 -18.325  -0.990
 1092   1HB   PRO 138          2HB       PRO 138  -7.463 -18.883   1.623
 1093   2HB   PRO 138          1HB       PRO 138  -6.474 -18.813   0.166
 1094   1HG   PRO 138          2HG       PRO 138  -6.892 -16.769   2.280
 1095   2HG   PRO 138          1HG       PRO 138  -5.465 -17.077   1.275
 1096   1HD   PRO 138          2HD       PRO 138  -7.069 -14.970   0.839
 1097   2HD   PRO 138          1HD       PRO 138  -6.294 -15.843  -0.501
 1098    H    ASP 139           H        ASP 139  -9.760 -16.449   1.531
 1099    HA   ASP 139           HA       ASP 139 -11.340 -18.431   2.801
 1100   1HB   ASP 139          2HB       ASP 139 -10.741 -16.108   3.677
 1101   2HB   ASP 139          1HB       ASP 139 -11.982 -15.487   2.597
 1102    H    GLY 140           H        GLY 140 -12.342 -15.772   0.642
 1103   1HA   GLY 140          2HA       GLY 140 -13.705 -17.085  -1.293
 1104   2HA   GLY 140          1HA       GLY 140 -14.841 -17.092   0.048
 1105    H    GLU 141           H        GLU 141 -13.365 -14.387   0.725
 1106    HA   GLU 141           HA       GLU 141 -15.337 -12.746  -0.626
 1107   1HB   GLU 141          2HB       GLU 141 -13.333 -12.247   1.553
 1108   2HB   GLU 141          1HB       GLU 141 -14.160 -10.914   0.761
 1109   1HG   GLU 141          2HG       GLU 141 -15.281 -11.486   2.814
 1110   2HG   GLU 141          1HG       GLU 141 -16.314 -11.865   1.438
 1111    H    MET 142           H        MET 142 -14.621 -10.580  -1.489
 1112    HA   MET 142           HA       MET 142 -12.067 -10.815  -2.939
 1113   1HB   MET 142          2HB       MET 142 -14.668  -9.763  -4.065
 1114   2HB   MET 142          1HB       MET 142 -13.131  -9.826  -4.916
 1115   1HG   MET 142          2HG       MET 142 -13.157 -12.265  -4.777
 1116   2HG   MET 142          1HG       MET 142 -14.706 -12.195  -3.937
 1117   1HE   MET 142          1HE       MET 142 -16.564 -10.001  -6.611
 1118   2HE   MET 142          2HE       MET 142 -16.248 -10.252  -4.894
 1119   3HE   MET 142          3HE       MET 142 -17.249 -11.400  -5.782
 1120    H    LEU 143           H        LEU 143 -11.186  -8.704  -3.731
 1121    HA   LEU 143           HA       LEU 143 -11.121  -6.783  -1.694
 1122   1HB   LEU 143          2HB       LEU 143  -9.348  -7.048  -3.369
 1123   2HB   LEU 143          1HB       LEU 143 -10.438  -6.487  -4.621
 1124    HG   LEU 143           HG       LEU 143 -10.522  -4.271  -3.586
 1125   1HD1  LEU 143          1HD1      LEU 143 -10.244  -4.464  -1.320
 1126   2HD1  LEU 143          2HD1      LEU 143  -8.628  -3.942  -1.794
 1127   3HD1  LEU 143          3HD1      LEU 143  -8.944  -5.646  -1.469
 1128   1HD2  LEU 143          1HD2      LEU 143  -7.621  -4.949  -3.757
 1129   2HD2  LEU 143          2HD2      LEU 143  -8.489  -3.552  -4.392
 1130   3HD2  LEU 143          3HD2      LEU 143  -8.648  -5.121  -5.180
 1131    H    ARG 144           H        ARG 144 -13.302  -7.305  -4.286
 1132    HA   ARG 144           HA       ARG 144 -14.443  -4.648  -4.238
 1133   1HB   ARG 144          2HB       ARG 144 -14.317  -6.108  -6.297
 1134   2HB   ARG 144          1HB       ARG 144 -15.527  -7.147  -5.562
 1135   1HG   ARG 144          2HG       ARG 144 -15.994  -4.219  -6.061
 1136   2HG   ARG 144          1HG       ARG 144 -16.341  -5.459  -7.265
 1137   1HD   ARG 144          2HD       ARG 144 -17.881  -6.539  -5.697
 1138   2HD   ARG 144          1HD       ARG 144 -17.526  -5.300  -4.494
 1139    HE   ARG 144           HE       ARG 144 -18.397  -4.029  -6.823
 1140   1HH1  ARG 144          1HH1      ARG 144 -19.643  -6.138  -4.343
 1141   2HH1  ARG 144          2HH1      ARG 144 -21.265  -5.552  -4.480
 1142   1HH2  ARG 144          1HH2      ARG 144 -20.531  -3.249  -7.006
 1143   2HH2  ARG 144          2HH2      ARG 144 -21.771  -3.909  -5.993
 1144    H    GLN 145           H        GLN 145 -15.250  -7.901  -3.125
 1145    HA   GLN 145           HA       GLN 145 -17.810  -7.334  -2.112
 1146   1HB   GLN 145          2HB       GLN 145 -17.124  -9.614  -2.487
 1147   2HB   GLN 145          1HB       GLN 145 -15.792  -9.452  -1.353
 1148   1HG   GLN 145          2HG       GLN 145 -18.614  -9.078  -0.444
 1149   2HG   GLN 145          1HG       GLN 145 -17.936 -10.692  -0.633
 1150   1HE2  GLN 145          1HE2      GLN 145 -15.304  -9.079   0.120
 1151   2HE2  GLN 145          2HE2      GLN 145 -15.337  -9.153   1.844
 1152    H    ILE 146           H        ILE 146 -14.598  -6.983  -0.728
 1153    HA   ILE 146           HA       ILE 146 -15.335  -6.574   1.951
 1154    HB   ILE 146           HB       ILE 146 -12.996  -5.377   0.455
 1155   1HG1  ILE 146          2HG1      ILE 146 -13.173  -7.882   2.147
 1156   2HG1  ILE 146          1HG1      ILE 146 -13.086  -7.851   0.389
 1157   1HG2  ILE 146          1HG2      ILE 146 -13.678  -4.322   2.672
 1158   2HG2  ILE 146          2HG2      ILE 146 -12.009  -4.875   2.527
 1159   3HG2  ILE 146          3HG2      ILE 146 -13.185  -5.842   3.417
 1160   1HD1  ILE 146          1HD1      ILE 146 -10.957  -8.233   1.904
 1161   2HD1  ILE 146          2HD1      ILE 146 -10.940  -6.472   1.895
 1162   3HD1  ILE 146          3HD1      ILE 146 -10.870  -7.361   0.374
 1163    H    LEU 147           H        LEU 147 -15.233  -4.434  -0.822
 1164    HA   LEU 147           HA       LEU 147 -15.699  -2.028   0.644
 1165   1HB   LEU 147          2HB       LEU 147 -16.007  -2.710  -2.279
 1166   2HB   LEU 147          1HB       LEU 147 -16.272  -1.104  -1.629
 1167    HG   LEU 147           HG       LEU 147 -13.659  -2.614  -1.502
 1168   1HD1  LEU 147          1HD1      LEU 147 -14.288  -1.943  -3.784
 1169   2HD1  LEU 147          2HD1      LEU 147 -12.882  -1.061  -3.187
 1170   3HD1  LEU 147          3HD1      LEU 147 -14.462  -0.278  -3.230
 1171   1HD2  LEU 147          1HD2      LEU 147 -13.958  -1.070   0.361
 1172   2HD2  LEU 147          2HD2      LEU 147 -14.359   0.227  -0.764
 1173   3HD2  LEU 147          3HD2      LEU 147 -12.739  -0.469  -0.762
 1174    H    HIS 148           H        HIS 148 -17.658  -4.636  -0.301
 1175    HA   HIS 148           HA       HIS 148 -20.120  -3.179  -0.568
 1176   1HB   HIS 148          2HB       HIS 148 -19.756  -5.362  -1.684
 1177   2HB   HIS 148          1HB       HIS 148 -19.676  -6.139  -0.108
 1178    HD1  HIS 148           1HD      HIS 148 -22.029  -5.463   1.380
 1179    HD2  HIS 148           2HD      HIS 148 -22.200  -5.675  -2.767
 1180    HE1  HIS 148           1HE      HIS 148 -24.460  -5.788   0.823
 1181    HE2  HIS 148           2HE      HIS 148 -24.540  -5.910  -1.692
 1182    H    THR 149           H        THR 149 -18.368  -4.785   1.986
 1183    HA   THR 149           HA       THR 149 -20.566  -4.464   3.871
 1184    HB   THR 149           HB       THR 149 -17.795  -5.620   4.239
 1185    HG1  THR 149           1HG      THR 149 -19.264  -6.804   2.864
 1186   1HG2  THR 149          1HG2      THR 149 -19.458  -4.768   6.244
 1187   2HG2  THR 149          2HG2      THR 149 -18.188  -5.984   6.392
 1188   3HG2  THR 149          3HG2      THR 149 -19.854  -6.481   6.094
 1189    H    ARG 150           H        ARG 150 -17.522  -3.026   3.005
 1190    HA   ARG 150           HA       ARG 150 -17.550  -1.291   5.358
 1191   1HB   ARG 150          2HB       ARG 150 -15.519  -1.607   3.143
 1192   2HB   ARG 150          1HB       ARG 150 -15.350  -0.503   4.497
 1193   1HG   ARG 150          2HG       ARG 150 -15.558  -3.498   4.730
 1194   2HG   ARG 150          1HG       ARG 150 -14.058  -2.576   4.767
 1195   1HD   ARG 150          2HD       ARG 150 -14.659  -3.044   7.021
 1196   2HD   ARG 150          1HD       ARG 150 -14.974  -1.334   6.741
 1197    HE   ARG 150           HE       ARG 150 -17.327  -2.777   6.251
 1198   1HH1  ARG 150          1HH1      ARG 150 -15.248  -1.894   8.904
 1199   2HH1  ARG 150          2HH1      ARG 150 -16.521  -1.922  10.078
 1200   1HH2  ARG 150          1HH2      ARG 150 -19.006  -2.821   7.790
 1201   2HH2  ARG 150          2HH2      ARG 150 -18.656  -2.451   9.445
 1202    H    ALA 151           H        ALA 151 -17.126  -0.881   1.842
 1203    HA   ALA 151           HA       ALA 151 -17.821   0.722   0.390
 1204   1HB   ALA 151          1HB       ALA 151 -19.997   1.137   0.561
 1205   2HB   ALA 151          2HB       ALA 151 -19.741   2.149   1.981
 1206   3HB   ALA 151          3HB       ALA 151 -19.962   0.411   2.168
 1207    H    PHE 152           H        PHE 152 -15.548   1.414   1.281
 1208    HA   PHE 152           HA       PHE 152 -15.765   4.112   2.402
 1209   1HB   PHE 152          2HB       PHE 152 -13.519   2.101   2.480
 1210   2HB   PHE 152          1HB       PHE 152 -13.280   3.795   2.886
 1211    HD1  PHE 152           1HD      PHE 152 -12.856   3.833   5.156
 1212    HD2  PHE 152           2HD      PHE 152 -16.124   1.528   3.708
 1213    HE1  PHE 152           1HE      PHE 152 -13.556   3.383   7.469
 1214    HE2  PHE 152           2HE      PHE 152 -16.831   1.075   6.020
 1215    HZ   PHE 152           HZ       PHE 152 -15.548   2.001   7.905
 1216    H    ASP 153           H        ASP 153 -16.437   4.288  -0.059
 1217    HA   ASP 153           HA       ASP 153 -14.350   4.446  -1.990
 1218   1HB   ASP 153          2HB       ASP 153 -16.040   5.780  -3.286
 1219   2HB   ASP 153          1HB       ASP 153 -16.615   4.196  -2.771
 1220    H    LYS 154           H        LYS 154 -14.424   5.953   0.690
 1221    HA   LYS 154           HA       LYS 154 -14.458   8.684   0.393
 1222   1HB   LYS 154          2HB       LYS 154 -12.624   7.084   2.168
 1223   2HB   LYS 154          1HB       LYS 154 -13.220   8.720   2.455
 1224   1HG   LYS 154          2HG       LYS 154 -15.541   7.707   2.492
 1225   2HG   LYS 154          1HG       LYS 154 -14.750   6.135   2.524
 1226   1HD   LYS 154          2HD       LYS 154 -14.322   8.323   4.556
 1227   2HD   LYS 154          1HD       LYS 154 -15.353   6.911   4.781
 1228   1HE   LYS 154          2HE       LYS 154 -13.415   5.440   4.544
 1229   2HE   LYS 154          1HE       LYS 154 -12.378   6.839   4.263
 1230   1HZ   LYS 154          1HZ       LYS 154 -13.075   7.630   6.514
 1231   2HZ   LYS 154          2HZ       LYS 154 -12.132   6.227   6.515
 1232   3HZ   LYS 154          3HZ       LYS 154 -13.802   6.121   6.760
 1233    H    LEU 155           H        LEU 155 -12.006   9.520   1.389
 1234    HA   LEU 155           HA       LEU 155 -10.007  10.361   0.778
 1235   1HB   LEU 155          2HB       LEU 155  -9.778   7.925  -0.979
 1236   2HB   LEU 155          1HB       LEU 155  -8.466   8.971  -0.479
 1237    HG   LEU 155           HG       LEU 155  -9.856   6.822   1.022
 1238   1HD1  LEU 155          1HD1      LEU 155  -7.779   6.158   0.383
 1239   2HD1  LEU 155          2HD1      LEU 155  -7.405   6.854   1.961
 1240   3HD1  LEU 155          3HD1      LEU 155  -7.100   7.782   0.492
 1241   1HD2  LEU 155          1HD2      LEU 155  -8.818   9.343   2.304
 1242   2HD2  LEU 155          2HD2      LEU 155  -8.982   7.814   3.167
 1243   3HD2  LEU 155          3HD2      LEU 155 -10.407   8.603   2.494
 1244    H    ASN 156           H        ASN 156 -11.066  12.121  -0.262
 1245    HA   ASN 156           HA       ASN 156 -11.655  12.066  -3.058
 1246   1HB   ASN 156          2HB       ASN 156 -11.945  14.477  -2.862
 1247   2HB   ASN 156          1HB       ASN 156 -12.708  13.684  -1.488
 1248   1HD2  ASN 156          1HD2      ASN 156 -12.296  14.513   0.426
 1249   2HD2  ASN 156          2HD2      ASN 156 -10.937  15.498   0.839
 1250    H    LYS 157           H        LYS 157 -10.336  12.517  -4.777
 1251    HA   LYS 157           HA       LYS 157  -7.623  12.176  -4.635
 1252   1HB   LYS 157          2HB       LYS 157  -9.149  13.792  -6.675
 1253   2HB   LYS 157          1HB       LYS 157  -7.475  13.277  -6.850
 1254   1HG   LYS 157          2HG       LYS 157  -8.171  10.945  -6.779
 1255   2HG   LYS 157          1HG       LYS 157  -9.848  11.445  -6.569
 1256   1HD   LYS 157          2HD       LYS 157  -8.112  12.081  -8.955
 1257   2HD   LYS 157          1HD       LYS 157  -9.353  10.828  -8.896
 1258   1HE   LYS 157          2HE       LYS 157  -9.797  13.794  -8.564
 1259   2HE   LYS 157          1HE       LYS 157 -10.189  12.838  -9.992
 1260   1HZ   LYS 157          1HZ       LYS 157 -11.407  11.596  -7.826
 1261   2HZ   LYS 157          2HZ       LYS 157 -12.156  12.434  -9.090
 1262   3HZ   LYS 157          3HZ       LYS 157 -11.733  13.250  -7.671
 1263    H    TRP 158           H        TRP 158  -6.290  13.231  -3.397
 1264    HA   TRP 158           HA       TRP 158  -5.444  14.962  -2.103
 1265   1HB   TRP 158          2HB       TRP 158  -4.009  14.712  -4.078
 1266   2HB   TRP 158          1HB       TRP 158  -4.980  15.900  -4.937
 1267    HD1  TRP 158           HD       TRP 158  -3.629  18.060  -5.106
 1268    HE1  TRP 158           1HE      TRP 158  -2.153  19.447  -3.517
 1269    HE3  TRP 158           3HE      TRP 158  -3.746  15.002  -1.008
 1270    HZ2  TRP 158           2HZ      TRP 158  -1.168  19.267  -0.877
 1271    HZ3  TRP 158           3HZ      TRP 158  -2.509  15.683   1.007
 1272    HH2  TRP 158           HH       TRP 158  -1.246  17.772   1.070
  Start of MODEL    7
    1   1H    THR   1          1HT       THR   1   2.568 -13.453  -9.561
    2   2H    THR   1          2HT       THR   1   1.738 -12.315 -10.497
    3   3H    THR   1          3HT       THR   1   1.111 -13.875 -10.310
    4    HA   THR   1           HA       THR   1  -0.134 -13.027  -8.696
    5    HB   THR   1           HB       THR   1   2.567 -12.905  -7.335
    6    HG1  THR   1           1HG      THR   1   2.205 -14.944  -8.150
    7   1HG2  THR   1          1HG2      THR   1  -0.206 -13.038  -6.200
    8   2HG2  THR   1          2HG2      THR   1   1.063 -11.864  -5.854
    9   3HG2  THR   1          3HG2      THR   1   1.227 -13.529  -5.299
   10    H    VAL   2           H        VAL   2  -0.845 -11.203  -7.477
   11    HA   VAL   2           HA       VAL   2   0.364  -8.689  -8.398
   12    HB   VAL   2           HB       VAL   2  -2.437  -9.311  -7.466
   13   1HG1  VAL   2          1HG1      VAL   2  -2.727  -6.816  -8.236
   14   2HG1  VAL   2          2HG1      VAL   2  -1.027  -6.704  -7.779
   15   3HG1  VAL   2          3HG1      VAL   2  -2.230  -7.200  -6.588
   16   1HG2  VAL   2          1HG2      VAL   2  -1.137  -9.179 -10.022
   17   2HG2  VAL   2          2HG2      VAL   2  -2.403  -7.956  -9.918
   18   3HG2  VAL   2          3HG2      VAL   2  -2.792  -9.653  -9.631
   19    H    ALA   3           H        ALA   3   0.910  -7.071  -7.005
   20    HA   ALA   3           HA       ALA   3   0.916  -7.774  -4.148
   21   1HB   ALA   3          1HB       ALA   3   2.699  -5.673  -5.307
   22   2HB   ALA   3          2HB       ALA   3   3.105  -7.379  -5.494
   23   3HB   ALA   3          3HB       ALA   3   2.936  -6.683  -3.882
   24    H    TYR   4           H        TYR   4  -0.907  -6.905  -3.370
   25    HA   TYR   4           HA       TYR   4  -1.880  -4.303  -4.158
   26   1HB   TYR   4          2HB       TYR   4  -2.804  -6.108  -1.925
   27   2HB   TYR   4          1HB       TYR   4  -3.704  -4.787  -2.661
   28    HD1  TYR   4           1HD      TYR   4  -2.233  -8.117  -3.364
   29    HD2  TYR   4           2HD      TYR   4  -5.020  -5.150  -4.584
   30    HE1  TYR   4           1HE      TYR   4  -3.190  -9.682  -4.995
   31    HE2  TYR   4           2HE      TYR   4  -5.982  -6.710  -6.219
   32    HH   TYR   4           HH       TYR   4  -4.500  -9.451  -7.233
   33    H    ILE   5           H        ILE   5   0.086  -3.154  -3.551
   34    HA   ILE   5           HA       ILE   5   0.730  -2.950  -0.729
   35    HB   ILE   5           HB       ILE   5   1.928  -1.346  -2.980
   36   1HG1  ILE   5          2HG1      ILE   5   2.819  -4.053  -1.965
   37   2HG1  ILE   5          1HG1      ILE   5   2.006  -3.770  -3.502
   38   1HG2  ILE   5          1HG2      ILE   5   2.448  -1.672  -0.135
   39   2HG2  ILE   5          2HG2      ILE   5   2.986  -0.415  -1.248
   40   3HG2  ILE   5          3HG2      ILE   5   3.878  -1.932  -1.131
   41   1HD1  ILE   5          1HD1      ILE   5   4.092  -2.059  -3.702
   42   2HD1  ILE   5          2HD1      ILE   5   4.091  -3.715  -4.308
   43   3HD1  ILE   5          3HD1      ILE   5   4.803  -3.352  -2.735
   44    H    ALA   6           H        ALA   6   0.907  -0.929   0.367
   45    HA   ALA   6           HA       ALA   6  -1.006   1.121  -0.548
   46   1HB   ALA   6          1HB       ALA   6  -0.457   0.954   2.342
   47   2HB   ALA   6          2HB       ALA   6  -1.342  -0.412   1.661
   48   3HB   ALA   6          3HB       ALA   6  -1.977   1.223   1.488
   49    H    ILE   7           H        ILE   7   0.175   2.790  -1.261
   50    HA   ILE   7           HA       ILE   7   2.679   3.453   0.129
   51    HB   ILE   7           HB       ILE   7   1.742   4.411  -2.574
   52   1HG1  ILE   7          2HG1      ILE   7   3.698   2.200  -1.894
   53   2HG1  ILE   7          1HG1      ILE   7   2.069   1.957  -2.516
   54   1HG2  ILE   7          1HG2      ILE   7   3.959   5.212  -2.894
   55   2HG2  ILE   7          2HG2      ILE   7   4.516   4.443  -1.407
   56   3HG2  ILE   7          3HG2      ILE   7   3.409   5.813  -1.330
   57   1HD1  ILE   7          1HD1      ILE   7   4.517   2.521  -3.927
   58   2HD1  ILE   7          2HD1      ILE   7   3.255   3.684  -4.333
   59   3HD1  ILE   7          3HD1      ILE   7   2.964   1.957  -4.541
   60    H    GLY   8           H        GLY   8   3.231   5.684   0.528
   61   1HA   GLY   8          2HA       GLY   8   0.964   7.552   0.524
   62   2HA   GLY   8          1HA       GLY   8   1.803   7.253   2.039
   63    H    SER   9           H        SER   9   1.821   9.739   1.457
   64    HA   SER   9           HA       SER   9   4.539  10.415   1.026
   65   1HB   SER   9          2HB       SER   9   4.179  11.843  -0.995
   66   2HB   SER   9          1HB       SER   9   3.997  10.119  -1.324
   67    HG   SER   9           HG       SER   9   1.671  11.350  -0.561
   68    H    ASN  10           H        ASN  10   4.716  11.845   2.631
   69    HA   ASN  10           HA       ASN  10   2.622  13.895   2.852
   70   1HB   ASN  10          2HB       ASN  10   4.029  12.566   5.137
   71   2HB   ASN  10          1HB       ASN  10   2.805  13.788   5.274
   72   1HD2  ASN  10          1HD2      ASN  10   1.442  12.576   6.484
   73   2HD2  ASN  10          2HD2      ASN  10   0.609  11.187   5.880
   74    H    LEU  11           H        LEU  11   5.460  13.425   4.826
   75    HA   LEU  11           HA       LEU  11   6.137  16.184   4.748
   76   1HB   LEU  11          2HB       LEU  11   7.741  13.928   5.935
   77   2HB   LEU  11          1HB       LEU  11   7.817  15.625   6.365
   78    HG   LEU  11           HG       LEU  11   5.521  13.728   6.892
   79   1HD1  LEU  11          1HD1      LEU  11   7.653  13.655   8.306
   80   2HD1  LEU  11          2HD1      LEU  11   6.113  13.830   9.145
   81   3HD1  LEU  11          3HD1      LEU  11   7.152  15.237   8.909
   82   1HD2  LEU  11          1HD2      LEU  11   5.764  16.705   7.210
   83   2HD2  LEU  11          2HD2      LEU  11   4.688  15.755   8.236
   84   3HD2  LEU  11          3HD2      LEU  11   4.455  15.768   6.488
   85    H    ALA  12           H        ALA  12   6.419  15.316   2.113
   86    HA   ALA  12           HA       ALA  12   8.929  16.330   1.441
   87   1HB   ALA  12          1HB       ALA  12   9.900  14.171   0.449
   88   2HB   ALA  12          2HB       ALA  12   8.813  13.335   1.559
   89   3HB   ALA  12          3HB       ALA  12  10.049  14.424   2.188
   90    H    SER  13           H        SER  13   6.830  17.184   0.350
   91    HA   SER  13           HA       SER  13   5.588  17.477  -1.541
   92   1HB   SER  13          2HB       SER  13   7.965  16.076  -2.799
   93   2HB   SER  13          1HB       SER  13   6.744  17.001  -3.676
   94    HG   SER  13           HG       SER  13   7.503  18.846  -2.824
   95    HA   PRO  14           HA       PRO  14   3.661  13.319  -0.960
   96   1HB   PRO  14          2HB       PRO  14   1.454  15.060  -1.989
   97   2HB   PRO  14          1HB       PRO  14   1.423  13.833  -0.718
   98   1HG   PRO  14          2HG       PRO  14   1.494  16.413  -0.089
   99   2HG   PRO  14          1HG       PRO  14   2.434  15.227   0.839
  100   1HD   PRO  14          2HD       PRO  14   3.355  17.223  -1.171
  101   2HD   PRO  14          1HD       PRO  14   4.186  16.599   0.268
  102    H    LEU  15           H        LEU  15   3.916  15.442  -3.710
  103    HA   LEU  15           HA       LEU  15   2.783  13.528  -5.561
  104   1HB   LEU  15          2HB       LEU  15   2.458  15.935  -5.881
  105   2HB   LEU  15          1HB       LEU  15   4.185  16.148  -6.063
  106    HG   LEU  15           HG       LEU  15   4.128  14.758  -8.104
  107   1HD1  LEU  15          1HD1      LEU  15   1.295  14.460  -7.288
  108   2HD1  LEU  15          2HD1      LEU  15   2.378  13.309  -8.070
  109   3HD1  LEU  15          3HD1      LEU  15   1.636  14.602  -9.013
  110   1HD2  LEU  15          1HD2      LEU  15   3.838  16.641  -9.244
  111   2HD2  LEU  15          2HD2      LEU  15   3.231  17.382  -7.763
  112   3HD2  LEU  15          3HD2      LEU  15   2.107  16.643  -8.904
  113    H    GLU  16           H        GLU  16   5.987  14.592  -4.572
  114    HA   GLU  16           HA       GLU  16   7.369  13.309  -6.717
  115   1HB   GLU  16          2HB       GLU  16   8.256  14.444  -4.080
  116   2HB   GLU  16          1HB       GLU  16   9.377  13.784  -5.265
  117   1HG   GLU  16          2HG       GLU  16   8.562  15.447  -6.892
  118   2HG   GLU  16          1HG       GLU  16   7.545  16.142  -5.633
  119    H    GLN  17           H        GLN  17   6.661  12.461  -3.361
  120    HA   GLN  17           HA       GLN  17   8.335  10.188  -3.293
  121   1HB   GLN  17          2HB       GLN  17   5.958  10.910  -1.587
  122   2HB   GLN  17          1HB       GLN  17   7.072   9.592  -1.244
  123   1HG   GLN  17          2HG       GLN  17   7.749  12.521  -1.380
  124   2HG   GLN  17          1HG       GLN  17   7.644  11.529   0.077
  125   1HE2  GLN  17          1HE2      GLN  17   9.440  10.558   0.770
  126   2HE2  GLN  17          2HE2      GLN  17  10.913  10.424  -0.120
  127    H    VAL  18           H        VAL  18   5.222  10.649  -4.676
  128    HA   VAL  18           HA       VAL  18   4.510   7.846  -4.552
  129    HB   VAL  18           HB       VAL  18   3.221  10.104  -6.092
  130   1HG1  VAL  18          1HG1      VAL  18   2.415   8.275  -7.215
  131   2HG1  VAL  18          2HG1      VAL  18   1.256   8.354  -5.886
  132   3HG1  VAL  18          3HG1      VAL  18   2.593   7.205  -5.823
  133   1HG2  VAL  18          1HG2      VAL  18   1.779   8.941  -3.840
  134   2HG2  VAL  18          2HG2      VAL  18   2.065  10.632  -4.253
  135   3HG2  VAL  18          3HG2      VAL  18   3.290   9.722  -3.373
  136    H    ASN  19           H        ASN  19   6.025  10.029  -6.832
  137    HA   ASN  19           HA       ASN  19   5.741   8.484  -9.156
  138   1HB   ASN  19          2HB       ASN  19   7.960  10.384  -8.375
  139   2HB   ASN  19          1HB       ASN  19   7.725   9.731  -9.992
  140   1HD2  ASN  19          1HD2      ASN  19   7.327  12.398  -8.270
  141   2HD2  ASN  19          2HD2      ASN  19   5.928  13.073  -9.027
  142    H    ALA  20           H        ALA  20   8.558   8.690  -6.965
  143    HA   ALA  20           HA       ALA  20   9.903   6.507  -8.191
  144   1HB   ALA  20          1HB       ALA  20  11.625   7.203  -6.975
  145   2HB   ALA  20          2HB       ALA  20  10.737   7.002  -5.466
  146   3HB   ALA  20          3HB       ALA  20  10.582   8.497  -6.390
  147    H    ALA  21           H        ALA  21   7.481   6.718  -5.742
  148    HA   ALA  21           HA       ALA  21   7.997   4.275  -4.394
  149   1HB   ALA  21          1HB       ALA  21   5.293   4.663  -4.153
  150   2HB   ALA  21          2HB       ALA  21   5.900   6.294  -4.436
  151   3HB   ALA  21          3HB       ALA  21   6.532   5.340  -3.095
  152    H    LEU  22           H        LEU  22   5.769   5.101  -7.050
  153    HA   LEU  22           HA       LEU  22   5.066   2.316  -7.409
  154   1HB   LEU  22          2HB       LEU  22   3.642   3.161  -9.250
  155   2HB   LEU  22          1HB       LEU  22   3.306   3.903  -7.701
  156    HG   LEU  22           HG       LEU  22   4.770   5.846  -8.491
  157   1HD1  LEU  22          1HD1      LEU  22   5.876   5.491 -10.392
  158   2HD1  LEU  22          2HD1      LEU  22   4.333   5.773 -11.197
  159   3HD1  LEU  22          3HD1      LEU  22   4.851   4.127 -10.838
  160   1HD2  LEU  22          1HD2      LEU  22   2.388   5.660 -10.244
  161   2HD2  LEU  22          2HD2      LEU  22   2.904   6.953  -9.161
  162   3HD2  LEU  22          3HD2      LEU  22   2.140   5.506  -8.504
  163    H    LYS  23           H        LYS  23   7.360   4.536  -8.682
  164    HA   LYS  23           HA       LYS  23   7.760   3.169 -11.182
  165   1HB   LYS  23          2HB       LYS  23   8.233   5.616 -10.765
  166   2HB   LYS  23          1HB       LYS  23   9.630   5.117  -9.827
  167   1HG   LYS  23          2HG       LYS  23   9.253   4.329 -12.700
  168   2HG   LYS  23          1HG       LYS  23  10.049   5.827 -12.217
  169   1HD   LYS  23          2HD       LYS  23  11.678   4.503 -10.916
  170   2HD   LYS  23          1HD       LYS  23  10.901   3.024 -11.488
  171   1HE   LYS  23          2HE       LYS  23  12.228   5.116 -13.206
  172   2HE   LYS  23          1HE       LYS  23  12.892   3.535 -12.800
  173   1HZ   LYS  23          1HZ       LYS  23  10.972   4.245 -14.805
  174   2HZ   LYS  23          2HZ       LYS  23  10.448   2.959 -13.838
  175   3HZ   LYS  23          3HZ       LYS  23  11.920   2.851 -14.664
  176    H    ALA  24           H        ALA  24   9.441   3.303  -8.068
  177    HA   ALA  24           HA       ALA  24  11.650   1.737  -8.711
  178   1HB   ALA  24          1HB       ALA  24  10.336   1.671  -6.014
  179   2HB   ALA  24          2HB       ALA  24  11.209   3.087  -6.598
  180   3HB   ALA  24          3HB       ALA  24  12.051   1.550  -6.412
  181    H    LEU  25           H        LEU  25   8.358   0.787  -7.980
  182    HA   LEU  25           HA       LEU  25   8.882  -1.932  -7.397
  183   1HB   LEU  25          2HB       LEU  25   6.396  -0.616  -8.502
  184   2HB   LEU  25          1HB       LEU  25   6.473  -2.264  -7.910
  185    HG   LEU  25           HG       LEU  25   6.960   0.214  -6.250
  186   1HD1  LEU  25          1HD1      LEU  25   4.659   0.159  -6.672
  187   2HD1  LEU  25          2HD1      LEU  25   4.843  -0.639  -5.111
  188   3HD1  LEU  25          3HD1      LEU  25   4.592  -1.601  -6.569
  189   1HD2  LEU  25          1HD2      LEU  25   7.406  -1.122  -4.447
  190   2HD2  LEU  25          2HD2      LEU  25   8.120  -2.091  -5.735
  191   3HD2  LEU  25          3HD2      LEU  25   6.524  -2.499  -5.106
  192    H    GLY  26           H        GLY  26   8.646  -0.133 -10.353
  193   1HA   GLY  26          2HA       GLY  26   8.241  -2.390 -12.073
  194   2HA   GLY  26          1HA       GLY  26   8.746  -0.779 -12.570
  195    H    ASP  27           H        ASP  27  10.852  -1.304 -10.278
  196    HA   ASP  27           HA       ASP  27  12.760  -2.720 -12.019
  197   1HB   ASP  27          2HB       ASP  27  13.279  -0.322 -11.783
  198   2HB   ASP  27          1HB       ASP  27  13.318  -0.503 -10.033
  199    H    ILE  28           H        ILE  28  11.117  -2.750  -9.074
  200    HA   ILE  28           HA       ILE  28  12.933  -3.849  -7.284
  201    HB   ILE  28           HB       ILE  28   9.958  -4.170  -7.568
  202   1HG1  ILE  28          2HG1      ILE  28  10.805  -2.001  -6.815
  203   2HG1  ILE  28          1HG1      ILE  28   9.920  -2.808  -5.527
  204   1HG2  ILE  28          1HG2      ILE  28  10.688  -6.249  -6.594
  205   2HG2  ILE  28          2HG2      ILE  28   9.927  -5.255  -5.350
  206   3HG2  ILE  28          3HG2      ILE  28  11.685  -5.388  -5.421
  207   1HD1  ILE  28          1HD1      ILE  28  12.701  -1.963  -5.647
  208   2HD1  ILE  28          2HD1      ILE  28  12.497  -3.621  -5.079
  209   3HD1  ILE  28          3HD1      ILE  28  11.672  -2.297  -4.254
  210    HA   PRO  29           HA       PRO  29  14.245  -7.768  -8.798
  211   1HB   PRO  29          2HB       PRO  29  13.587  -8.678  -6.027
  212   2HB   PRO  29          1HB       PRO  29  15.052  -8.944  -6.980
  213   1HG   PRO  29          2HG       PRO  29  15.011  -7.117  -5.048
  214   2HG   PRO  29          1HG       PRO  29  15.866  -6.811  -6.571
  215   1HD   PRO  29          2HD       PRO  29  13.278  -5.706  -5.597
  216   2HD   PRO  29          1HD       PRO  29  14.503  -4.972  -6.648
  217    H    GLU  30           H        GLU  30  12.996  -8.904 -10.109
  218    HA   GLU  30           HA       GLU  30  11.278 -10.127 -10.954
  219   1HB   GLU  30          2HB       GLU  30  11.316 -11.177  -8.124
  220   2HB   GLU  30          1HB       GLU  30  10.400 -11.911  -9.430
  221   1HG   GLU  30          2HG       GLU  30  12.326 -13.186  -9.342
  222   2HG   GLU  30          1HG       GLU  30  12.634 -12.054 -10.655
  223    H    SER  31           H        SER  31  10.245  -7.815 -10.812
  224    HA   SER  31           HA       SER  31   7.527  -8.234  -9.918
  225   1HB   SER  31          2HB       SER  31   7.395  -6.263  -8.527
  226   2HB   SER  31          1HB       SER  31   8.709  -7.280  -7.934
  227    HG   SER  31           HG       SER  31   9.593  -5.551  -9.805
  228    H    HIS  32           H        HIS  32   6.034  -6.653 -10.782
  229    HA   HIS  32           HA       HIS  32   6.953  -4.587 -12.546
  230   1HB   HIS  32          2HB       HIS  32   7.333  -6.719 -13.851
  231   2HB   HIS  32          1HB       HIS  32   5.588  -6.935 -13.859
  232    HD1  HIS  32           1HD      HIS  32   7.932  -4.061 -14.757
  233    HD2  HIS  32           2HD      HIS  32   4.550  -6.018 -16.169
  234    HE1  HIS  32           1HE      HIS  32   7.334  -2.903 -16.909
  235    HE2  HIS  32           2HE      HIS  32   5.234  -4.049 -17.700
  236    H    ILE  33           H        ILE  33   5.502  -3.136 -11.720
  237    HA   ILE  33           HA       ILE  33   2.918  -3.650 -10.873
  238    HB   ILE  33           HB       ILE  33   4.203  -1.134 -11.891
  239   1HG1  ILE  33          2HG1      ILE  33   3.183  -2.051  -9.197
  240   2HG1  ILE  33          1HG1      ILE  33   4.867  -1.961  -9.698
  241   1HG2  ILE  33          1HG2      ILE  33   1.371  -1.377 -10.868
  242   2HG2  ILE  33          2HG2      ILE  33   1.835  -1.020 -12.532
  243   3HG2  ILE  33          3HG2      ILE  33   2.219   0.125 -11.245
  244   1HD1  ILE  33          1HD1      ILE  33   4.143   0.580 -10.126
  245   2HD1  ILE  33          2HD1      ILE  33   4.771  -0.007  -8.587
  246   3HD1  ILE  33          3HD1      ILE  33   3.031   0.168  -8.822
  247    H    LEU  34           H        LEU  34   0.976  -3.861 -11.792
  248    HA   LEU  34           HA       LEU  34   0.889  -3.984 -14.713
  249   1HB   LEU  34          2HB       LEU  34   0.169  -5.885 -13.104
  250   2HB   LEU  34          1HB       LEU  34  -1.276  -4.926 -12.859
  251    HG   LEU  34           HG       LEU  34  -0.361  -5.905 -15.565
  252   1HD1  LEU  34          1HD1      LEU  34  -2.321  -7.105 -13.618
  253   2HD1  LEU  34          2HD1      LEU  34  -0.841  -7.836 -14.240
  254   3HD1  LEU  34          3HD1      LEU  34  -2.209  -7.558 -15.318
  255   1HD2  LEU  34          1HD2      LEU  34  -1.810  -3.971 -15.690
  256   2HD2  LEU  34          2HD2      LEU  34  -2.963  -4.730 -14.594
  257   3HD2  LEU  34          3HD2      LEU  34  -2.693  -5.410 -16.199
  258    H    THR  35           H        THR  35  -0.941  -2.633 -11.961
  259    HA   THR  35           HA       THR  35  -1.869  -0.501 -13.743
  260    HB   THR  35           HB       THR  35  -4.145  -0.634 -12.750
  261    HG1  THR  35           1HG      THR  35  -4.683  -2.224 -11.416
  262   1HG2  THR  35          1HG2      THR  35  -4.899  -1.986 -14.349
  263   2HG2  THR  35          2HG2      THR  35  -3.926  -3.348 -13.796
  264   3HG2  THR  35          3HG2      THR  35  -3.207  -2.111 -14.829
  265    H    VAL  36           H        VAL  36  -2.381   1.455 -12.703
  266    HA   VAL  36           HA       VAL  36  -1.546   1.620  -9.882
  267    HB   VAL  36           HB       VAL  36  -0.989   3.681 -12.025
  268   1HG1  VAL  36          1HG1      VAL  36  -1.372   4.625  -9.784
  269   2HG1  VAL  36          2HG1      VAL  36   0.292   4.839 -10.327
  270   3HG1  VAL  36          3HG1      VAL  36  -0.097   3.588  -9.145
  271   1HG2  VAL  36          1HG2      VAL  36   1.233   2.356 -10.617
  272   2HG2  VAL  36          2HG2      VAL  36   1.086   2.843 -12.305
  273   3HG2  VAL  36          3HG2      VAL  36   0.334   1.348 -11.751
  274    H    SER  37           H        SER  37  -2.753   2.902  -8.548
  275    HA   SER  37           HA       SER  37  -5.398   3.544  -9.392
  276   1HB   SER  37          2HB       SER  37  -5.707   4.356  -7.089
  277   2HB   SER  37          1HB       SER  37  -4.911   2.784  -7.105
  278    HG   SER  37           HG       SER  37  -3.749   4.022  -5.715
  279    H    SER  38           H        SER  38  -4.726   6.044  -7.371
  280    HA   SER  38           HA       SER  38  -3.664   7.905  -9.306
  281   1HB   SER  38          2HB       SER  38  -6.530   8.163  -8.359
  282   2HB   SER  38          1HB       SER  38  -5.652   9.377  -9.289
  283    HG   SER  38           HG       SER  38  -6.341   6.751 -10.110
  284    H    PHE  39           H        PHE  39  -4.583  10.264  -8.113
  285    HA   PHE  39           HA       PHE  39  -3.121  10.131  -5.593
  286   1HB   PHE  39          2HB       PHE  39  -3.245  12.683  -5.787
  287   2HB   PHE  39          1HB       PHE  39  -2.245  11.831  -6.956
  288    HD1  PHE  39           1HD      PHE  39  -2.521  12.222  -9.215
  289    HD2  PHE  39           2HD      PHE  39  -5.649  13.286  -6.533
  290    HE1  PHE  39           1HE      PHE  39  -3.710  13.344 -11.053
  291    HE2  PHE  39           2HE      PHE  39  -6.847  14.403  -8.369
  292    HZ   PHE  39           HZ       PHE  39  -5.877  14.434 -10.630
  293    H    TYR  40           H        TYR  40  -4.116  10.127  -3.703
  294    HA   TYR  40           HA       TYR  40  -6.807  11.294  -3.525
  295   1HB   TYR  40          2HB       TYR  40  -5.962   8.659  -2.303
  296   2HB   TYR  40          1HB       TYR  40  -7.521   9.440  -2.076
  297    HD1  TYR  40           1HD      TYR  40  -5.320   7.915  -4.656
  298    HD2  TYR  40           2HD      TYR  40  -9.274   9.064  -3.582
  299    HE1  TYR  40           1HE      TYR  40  -6.192   6.748  -6.638
  300    HE2  TYR  40           2HE      TYR  40 -10.156   7.895  -5.558
  301    HH   TYR  40           HH       TYR  40  -9.599   6.263  -7.135
  302    H    ARG  41           H        ARG  41  -6.940  12.772  -1.990
  303    HA   ARG  41           HA       ARG  41  -4.861  12.989   0.025
  304   1HB   ARG  41          2HB       ARG  41  -5.806  14.984  -1.217
  305   2HB   ARG  41          1HB       ARG  41  -7.306  14.736  -0.329
  306   1HG   ARG  41          2HG       ARG  41  -5.987  14.986   1.789
  307   2HG   ARG  41          1HG       ARG  41  -4.611  15.453   0.786
  308   1HD   ARG  41          2HD       ARG  41  -7.285  16.847   0.835
  309   2HD   ARG  41          1HD       ARG  41  -5.834  17.397   1.673
  310    HE   ARG  41           HE       ARG  41  -5.245  17.067  -1.052
  311   1HH1  ARG  41          1HH1      ARG  41  -7.123  19.121   1.043
  312   2HH1  ARG  41          2HH1      ARG  41  -6.998  20.506   0.011
  313   1HH2  ARG  41          1HH2      ARG  41  -5.072  18.888  -2.414
  314   2HH2  ARG  41          2HH2      ARG  41  -5.832  20.374  -1.954
  315    H    THR  42           H        THR  42  -5.116  12.462   2.160
  316    HA   THR  42           HA       THR  42  -7.713  12.134   3.340
  317    HB   THR  42           HB       THR  42  -7.724  10.068   2.147
  318    HG1  THR  42           1HG      THR  42  -7.126   8.614   4.135
  319   1HG2  THR  42          1HG2      THR  42  -5.011   9.474   3.293
  320   2HG2  THR  42          2HG2      THR  42  -5.353   9.890   1.614
  321   3HG2  THR  42          3HG2      THR  42  -5.989   8.395   2.298
  322    HA   PRO  43           HA       PRO  43  -5.499  12.858   7.082
  323   1HB   PRO  43          2HB       PRO  43  -7.129  10.750   8.384
  324   2HB   PRO  43          1HB       PRO  43  -6.971  12.461   8.793
  325   1HG   PRO  43          2HG       PRO  43  -9.192  11.516   7.646
  326   2HG   PRO  43          1HG       PRO  43  -8.552  13.118   7.233
  327   1HD   PRO  43          2HD       PRO  43  -8.368  10.546   5.707
  328   2HD   PRO  43          1HD       PRO  43  -8.631  12.201   5.110
  329    HA   PRO  44           HA       PRO  44  -2.418   9.584   6.469
  330   1HB   PRO  44          2HB       PRO  44  -1.199  11.192   8.645
  331   2HB   PRO  44          1HB       PRO  44  -0.464  10.567   7.162
  332   1HG   PRO  44          2HG       PRO  44  -1.117  13.137   7.360
  333   2HG   PRO  44          1HG       PRO  44  -1.387  12.250   5.849
  334   1HD   PRO  44          2HD       PRO  44  -3.350  13.110   7.922
  335   2HD   PRO  44          1HD       PRO  44  -3.544  12.990   6.161
  336    H    LEU  45           H        LEU  45  -1.068   8.303   8.126
  337    HA   LEU  45           HA       LEU  45  -2.542   7.778  10.602
  338   1HB   LEU  45          2HB       LEU  45  -2.013   5.663   8.511
  339   2HB   LEU  45          1HB       LEU  45  -2.578   5.334  10.136
  340    HG   LEU  45           HG       LEU  45  -4.094   6.963   8.094
  341   1HD1  LEU  45          1HD1      LEU  45  -5.411   4.557   8.808
  342   2HD1  LEU  45          2HD1      LEU  45  -3.766   4.152   8.318
  343   3HD1  LEU  45          3HD1      LEU  45  -4.814   5.056   7.225
  344   1HD2  LEU  45          1HD2      LEU  45  -4.405   7.315  10.652
  345   2HD2  LEU  45          2HD2      LEU  45  -5.239   5.761  10.579
  346   3HD2  LEU  45          3HD2      LEU  45  -5.822   7.121   9.620
  347    H    GLY  46           H        GLY  46  -1.069   7.837  12.163
  348   1HA   GLY  46          2HA       GLY  46   0.834   6.301  12.971
  349   2HA   GLY  46          1HA       GLY  46   1.675   6.953  11.576
  350    HA   PRO  47           HA       PRO  47   2.544  10.017  14.816
  351   1HB   PRO  47          2HB       PRO  47   5.154   9.611  15.052
  352   2HB   PRO  47          1HB       PRO  47   3.989   8.469  15.721
  353   1HG   PRO  47          2HG       PRO  47   5.789   8.165  13.417
  354   2HG   PRO  47          1HG       PRO  47   4.940   6.918  14.345
  355   1HD   PRO  47          2HD       PRO  47   4.167   8.188  11.824
  356   2HD   PRO  47          1HD       PRO  47   3.484   6.745  12.609
  357    H    GLN  48           H        GLN  48   3.576   9.968  11.529
  358    HA   GLN  48           HA       GLN  48   5.518  11.983  11.595
  359   1HB   GLN  48          2HB       GLN  48   4.817  12.454   9.177
  360   2HB   GLN  48          1HB       GLN  48   5.471  10.878   9.568
  361   1HG   GLN  48          2HG       GLN  48   3.652  10.616   8.070
  362   2HG   GLN  48          1HG       GLN  48   3.185   9.983   9.646
  363   1HE2  GLN  48          1HE2      GLN  48   1.142  10.302   9.863
  364   2HE2  GLN  48          2HE2      GLN  48   0.309  11.783   9.600
  365    H    ASP  49           H        ASP  49   1.977  12.332  11.429
  366    HA   ASP  49           HA       ASP  49   1.883  14.722  12.788
  367   1HB   ASP  49          2HB       ASP  49   3.182  15.576  10.782
  368   2HB   ASP  49          1HB       ASP  49   1.716  15.327   9.837
  369    H    GLN  50           H        GLN  50   0.513  13.071  10.026
  370    HA   GLN  50           HA       GLN  50  -1.580  12.330   9.530
  371   1HB   GLN  50          2HB       GLN  50  -2.698  13.266  12.122
  372   2HB   GLN  50          1HB       GLN  50  -3.068  11.824  11.191
  373   1HG   GLN  50          2HG       GLN  50  -0.433  12.172  12.557
  374   2HG   GLN  50          1HG       GLN  50  -1.845  11.541  13.402
  375   1HE2  GLN  50          1HE2      GLN  50   0.790  10.803  11.536
  376   2HE2  GLN  50          2HE2      GLN  50   0.392   9.177  11.144
  377    HA   PRO  51           HA       PRO  51  -3.180  16.809   9.405
  378   1HB   PRO  51          2HB       PRO  51  -1.582  17.571   7.123
  379   2HB   PRO  51          1HB       PRO  51  -1.610  18.281   8.737
  380   1HG   PRO  51          2HG       PRO  51   0.522  16.896   7.729
  381   2HG   PRO  51          1HG       PRO  51   0.165  17.039   9.457
  382   1HD   PRO  51          2HD       PRO  51  -0.402  14.764   7.580
  383   2HD   PRO  51          1HD       PRO  51   0.188  14.728   9.256
  384    H    ASP  52           H        ASP  52  -1.997  16.057   6.159
  385    HA   ASP  52           HA       ASP  52  -4.271  14.740   5.183
  386   1HB   ASP  52          2HB       ASP  52  -5.201  16.583   3.780
  387   2HB   ASP  52          1HB       ASP  52  -5.446  16.839   5.503
  388    H    TYR  53           H        TYR  53  -2.729  13.491   4.189
  389    HA   TYR  53           HA       TYR  53  -1.182  14.814   2.075
  390   1HB   TYR  53          2HB       TYR  53  -0.379  12.656   3.960
  391   2HB   TYR  53          1HB       TYR  53   0.522  13.024   2.484
  392    HD1  TYR  53           1HD      TYR  53   0.178  13.789   5.880
  393    HD2  TYR  53           2HD      TYR  53   1.047  15.588   2.118
  394    HE1  TYR  53           1HE      TYR  53   1.290  15.643   7.047
  395    HE2  TYR  53           2HE      TYR  53   2.162  17.453   3.287
  396    HH   TYR  53           HH       TYR  53   2.749  17.400   6.732
  397    H    LEU  54           H        LEU  54  -0.177  12.789   0.664
  398    HA   LEU  54           HA       LEU  54  -2.544  11.763  -0.650
  399   1HB   LEU  54          2HB       LEU  54  -0.450  12.845  -1.737
  400   2HB   LEU  54          1HB       LEU  54   0.264  11.256  -1.554
  401    HG   LEU  54           HG       LEU  54  -1.640  10.318  -2.883
  402   1HD1  LEU  54          1HD1      LEU  54  -2.283  13.241  -3.151
  403   2HD1  LEU  54          2HD1      LEU  54  -3.334  11.936  -2.602
  404   3HD1  LEU  54          3HD1      LEU  54  -2.853  12.027  -4.295
  405   1HD2  LEU  54          1HD2      LEU  54   0.370  12.234  -3.947
  406   2HD2  LEU  54          2HD2      LEU  54  -0.843  11.586  -5.050
  407   3HD2  LEU  54          3HD2      LEU  54   0.231  10.491  -4.182
  408    H    ASN  55           H        ASN  55  -3.161   9.699  -0.819
  409    HA   ASN  55           HA       ASN  55  -1.427   7.544   0.081
  410   1HB   ASN  55          2HB       ASN  55  -4.145   8.053   1.315
  411   2HB   ASN  55          1HB       ASN  55  -3.137   6.645   1.612
  412   1HD2  ASN  55          1HD2      ASN  55  -1.955   6.704   3.367
  413   2HD2  ASN  55          2HD2      ASN  55  -1.428   8.124   4.197
  414    H    ALA  56           H        ALA  56  -1.766   5.705  -1.074
  415    HA   ALA  56           HA       ALA  56  -4.264   4.982  -2.215
  416   1HB   ALA  56          1HB       ALA  56  -3.260   5.154  -4.638
  417   2HB   ALA  56          2HB       ALA  56  -2.330   6.470  -3.920
  418   3HB   ALA  56          3HB       ALA  56  -4.093   6.522  -3.901
  419    H    ALA  57           H        ALA  57  -4.064   3.071  -3.678
  420    HA   ALA  57           HA       ALA  57  -1.753   1.436  -2.857
  421   1HB   ALA  57          1HB       ALA  57  -3.930  -0.097  -3.937
  422   2HB   ALA  57          2HB       ALA  57  -4.500   0.963  -2.647
  423   3HB   ALA  57          3HB       ALA  57  -3.188  -0.177  -2.339
  424    H    VAL  58           H        VAL  58  -1.374  -0.457  -4.495
  425    HA   VAL  58           HA       VAL  58  -1.922   0.099  -7.247
  426    HB   VAL  58           HB       VAL  58  -0.229   1.771  -6.966
  427   1HG1  VAL  58          1HG1      VAL  58   2.141   0.983  -6.403
  428   2HG1  VAL  58          2HG1      VAL  58   1.364  -0.455  -5.738
  429   3HG1  VAL  58          3HG1      VAL  58   0.993   1.136  -5.074
  430   1HG2  VAL  58          1HG2      VAL  58   1.602   0.112  -8.353
  431   2HG2  VAL  58          2HG2      VAL  58   0.451   1.270  -9.017
  432   3HG2  VAL  58          3HG2      VAL  58  -0.030  -0.409  -8.773
  433    H    ALA  59           H        ALA  59  -1.954  -1.759  -8.332
  434    HA   ALA  59           HA       ALA  59  -1.063  -4.170  -7.049
  435   1HB   ALA  59          1HB       ALA  59  -3.054  -4.443  -8.200
  436   2HB   ALA  59          2HB       ALA  59  -1.873  -5.153  -9.299
  437   3HB   ALA  59          3HB       ALA  59  -2.491  -3.528  -9.598
  438    H    LEU  60           H        LEU  60   0.835  -5.117  -7.248
  439    HA   LEU  60           HA       LEU  60   2.589  -4.351  -9.487
  440   1HB   LEU  60          2HB       LEU  60   3.570  -3.732  -7.391
  441   2HB   LEU  60          1HB       LEU  60   3.216  -5.300  -6.695
  442    HG   LEU  60           HG       LEU  60   4.854  -6.309  -8.339
  443   1HD1  LEU  60          1HD1      LEU  60   5.689  -3.444  -8.755
  444   2HD1  LEU  60          2HD1      LEU  60   4.770  -4.391  -9.925
  445   3HD1  LEU  60          3HD1      LEU  60   6.399  -4.889  -9.472
  446   1HD2  LEU  60          1HD2      LEU  60   6.092  -6.262  -6.496
  447   2HD2  LEU  60          2HD2      LEU  60   5.343  -4.757  -5.961
  448   3HD2  LEU  60          3HD2      LEU  60   6.742  -4.714  -7.035
  449    H    GLU  61           H        GLU  61   2.558  -5.868 -11.044
  450    HA   GLU  61           HA       GLU  61   1.894  -8.603 -10.473
  451   1HB   GLU  61          2HB       GLU  61   1.453  -7.344 -12.662
  452   2HB   GLU  61          1HB       GLU  61   3.161  -7.554 -13.006
  453   1HG   GLU  61          2HG       GLU  61   1.217  -9.799 -12.525
  454   2HG   GLU  61          1HG       GLU  61   1.746  -9.233 -14.107
  455    H    THR  62           H        THR  62   3.400  -9.279  -8.992
  456    HA   THR  62           HA       THR  62   6.162  -9.495  -9.980
  457    HB   THR  62           HB       THR  62   6.167  -7.956  -8.167
  458    HG1  THR  62           1HG      THR  62   7.804  -8.956  -7.371
  459   1HG2  THR  62          1HG2      THR  62   3.902  -8.843  -7.266
  460   2HG2  THR  62          2HG2      THR  62   5.075  -8.128  -6.159
  461   3HG2  THR  62          3HG2      THR  62   4.923  -9.881  -6.269
  462    H    SER  63           H        SER  63   7.324 -11.332  -9.486
  463    HA   SER  63           HA       SER  63   5.709 -13.660  -8.675
  464   1HB   SER  63          2HB       SER  63   6.538 -13.725 -11.042
  465   2HB   SER  63          1HB       SER  63   8.187 -13.642 -10.419
  466    HG   SER  63           HG       SER  63   7.987 -15.743 -10.421
  467    H    LEU  64           H        LEU  64   7.861 -11.488  -7.643
  468    HA   LEU  64           HA       LEU  64   9.917 -13.045  -6.477
  469   1HB   LEU  64          2HB       LEU  64   9.807 -10.510  -6.881
  470   2HB   LEU  64          1HB       LEU  64   8.892 -10.431  -5.390
  471    HG   LEU  64           HG       LEU  64  11.338  -9.896  -5.192
  472   1HD1  LEU  64          1HD1      LEU  64   9.737 -11.641  -3.533
  473   2HD1  LEU  64          2HD1      LEU  64  10.809 -10.317  -3.078
  474   3HD1  LEU  64          3HD1      LEU  64  11.464 -11.937  -3.327
  475   1HD2  LEU  64          1HD2      LEU  64  12.777 -11.257  -6.196
  476   2HD2  LEU  64          2HD2      LEU  64  11.539 -12.487  -6.447
  477   3HD2  LEU  64          3HD2      LEU  64  12.435 -12.436  -4.929
  478    H    ALA  65           H        ALA  65  10.160 -13.830  -4.396
  479    HA   ALA  65           HA       ALA  65   8.145 -15.188  -3.198
  480   1HB   ALA  65          1HB       ALA  65  10.191 -13.991  -1.396
  481   2HB   ALA  65          2HB       ALA  65  10.724 -15.061  -2.692
  482   3HB   ALA  65          3HB       ALA  65   9.587 -15.646  -1.477
  483    HA   PRO  66           HA       PRO  66   5.340 -12.162  -1.566
  484   1HB   PRO  66          2HB       PRO  66   4.326 -13.776   0.450
  485   2HB   PRO  66          1HB       PRO  66   3.727 -13.693  -1.203
  486   1HG   PRO  66          2HG       PRO  66   5.528 -15.691   0.060
  487   2HG   PRO  66          1HG       PRO  66   4.274 -15.930  -1.174
  488   1HD   PRO  66          2HD       PRO  66   6.902 -15.908  -1.782
  489   2HD   PRO  66          1HD       PRO  66   5.677 -15.258  -2.894
  490    H    GLU  67           H        GLU  67   7.790 -13.746   0.281
  491    HA   GLU  67           HA       GLU  67   7.312 -12.068   2.600
  492   1HB   GLU  67          2HB       GLU  67   9.161 -13.351   3.624
  493   2HB   GLU  67          1HB       GLU  67   7.850 -14.373   3.049
  494   1HG   GLU  67          2HG       GLU  67   9.138 -14.859   1.032
  495   2HG   GLU  67          1HG       GLU  67  10.462 -13.872   1.636
  496    H    GLU  68           H        GLU  68   9.620 -12.453  -0.013
  497    HA   GLU  68           HA       GLU  68  11.322 -10.382   1.118
  498   1HB   GLU  68          2HB       GLU  68  12.342 -12.359   0.060
  499   2HB   GLU  68          1HB       GLU  68  11.653 -11.871  -1.482
  500   1HG   GLU  68          2HG       GLU  68  12.998  -9.925  -1.572
  501   2HG   GLU  68          1HG       GLU  68  13.513 -10.121   0.103
  502    H    LEU  69           H        LEU  69   8.810 -10.626  -1.246
  503    HA   LEU  69           HA       LEU  69   9.422  -8.503  -2.924
  504   1HB   LEU  69          2HB       LEU  69   7.589 -10.007  -3.359
  505   2HB   LEU  69          1HB       LEU  69   6.724  -9.443  -1.955
  506    HG   LEU  69           HG       LEU  69   5.868  -8.618  -4.173
  507   1HD1  LEU  69          1HD1      LEU  69   5.236  -6.537  -3.367
  508   2HD1  LEU  69          2HD1      LEU  69   6.761  -6.294  -2.515
  509   3HD1  LEU  69          3HD1      LEU  69   5.582  -7.454  -1.902
  510   1HD2  LEU  69          1HD2      LEU  69   7.154  -6.642  -5.101
  511   2HD2  LEU  69          2HD2      LEU  69   7.826  -8.241  -5.418
  512   3HD2  LEU  69          3HD2      LEU  69   8.529  -7.223  -4.161
  513    H    LEU  70           H        LEU  70   7.251  -8.334  -0.070
  514    HA   LEU  70           HA       LEU  70   7.102  -5.548   0.031
  515   1HB   LEU  70          2HB       LEU  70   5.632  -6.811   1.422
  516   2HB   LEU  70          1HB       LEU  70   6.965  -7.639   2.202
  517    HG   LEU  70           HG       LEU  70   6.635  -4.671   2.532
  518   1HD1  LEU  70          1HD1      LEU  70   4.976  -4.838   4.049
  519   2HD1  LEU  70          2HD1      LEU  70   5.508  -6.421   4.618
  520   3HD1  LEU  70          3HD1      LEU  70   4.566  -6.289   3.133
  521   1HD2  LEU  70          1HD2      LEU  70   8.577  -5.144   3.583
  522   2HD2  LEU  70          2HD2      LEU  70   8.182  -6.852   3.772
  523   3HD2  LEU  70          3HD2      LEU  70   7.504  -5.662   4.885
  524    H    ASN  71           H        ASN  71   9.355  -7.782   1.579
  525    HA   ASN  71           HA       ASN  71  10.961  -6.050   2.977
  526   1HB   ASN  71          2HB       ASN  71  11.712  -8.521   1.413
  527   2HB   ASN  71          1HB       ASN  71  12.836  -7.675   2.465
  528   1HD2  ASN  71          1HD2      ASN  71   9.831  -7.329   3.789
  529   2HD2  ASN  71          2HD2      ASN  71   9.853  -8.660   4.885
  530    H    HIS  72           H        HIS  72  10.926  -6.658  -0.492
  531    HA   HIS  72           HA       HIS  72  13.267  -5.117  -1.052
  532   1HB   HIS  72          2HB       HIS  72  11.046  -6.210  -2.770
  533   2HB   HIS  72          1HB       HIS  72  12.292  -5.161  -3.430
  534    HD1  HIS  72           1HD      HIS  72  14.820  -6.259  -2.287
  535    HD2  HIS  72           2HD      HIS  72  11.709  -8.692  -3.573
  536    HE1  HIS  72           1HE      HIS  72  15.879  -8.477  -2.815
  537    HE2  HIS  72           2HE      HIS  72  13.992  -9.901  -3.688
  538    H    THR  73           H        THR  73   9.775  -4.596  -1.418
  539    HA   THR  73           HA       THR  73   9.847  -1.995  -2.390
  540    HB   THR  73           HB       THR  73   7.580  -1.758  -1.530
  541    HG1  THR  73           1HG      THR  73   6.850  -2.882   0.091
  542   1HG2  THR  73          1HG2      THR  73   7.116  -4.488  -2.103
  543   2HG2  THR  73          2HG2      THR  73   8.406  -3.908  -3.157
  544   3HG2  THR  73          3HG2      THR  73   6.849  -3.080  -3.130
  545    H    GLN  74           H        GLN  74  10.723  -3.190   0.680
  546    HA   GLN  74           HA       GLN  74  10.273  -0.841   2.222
  547   1HB   GLN  74          2HB       GLN  74  12.137  -3.183   2.668
  548   2HB   GLN  74          1HB       GLN  74  11.818  -1.915   3.854
  549   1HG   GLN  74          2HG       GLN  74   9.752  -3.780   2.707
  550   2HG   GLN  74          1HG       GLN  74  10.545  -3.977   4.265
  551   1HE2  GLN  74          1HE2      GLN  74  10.267  -0.764   4.011
  552   2HE2  GLN  74          2HE2      GLN  74   8.725  -0.523   4.743
  553    H    ARG  75           H        ARG  75  13.089  -2.172   0.516
  554    HA   ARG  75           HA       ARG  75  14.922  -0.199   1.324
  555   1HB   ARG  75          2HB       ARG  75  14.837  -2.287  -0.743
  556   2HB   ARG  75          1HB       ARG  75  15.863  -0.918  -1.128
  557   1HG   ARG  75          2HG       ARG  75  17.156  -2.650  -0.061
  558   2HG   ARG  75          1HG       ARG  75  17.064  -1.235   0.988
  559   1HD   ARG  75          2HD       ARG  75  16.760  -3.237   2.299
  560   2HD   ARG  75          1HD       ARG  75  15.251  -2.327   2.252
  561    HE   ARG  75           HE       ARG  75  14.290  -4.160   1.330
  562   1HH1  ARG  75          1HH1      ARG  75  17.689  -4.231   0.555
  563   2HH1  ARG  75          2HH1      ARG  75  17.592  -5.728  -0.308
  564   1HH2  ARG  75          1HH2      ARG  75  14.154  -6.134   0.197
  565   2HH2  ARG  75          2HH2      ARG  75  15.583  -6.810  -0.513
  566    H    ILE  76           H        ILE  76  12.293  -0.038  -0.861
  567    HA   ILE  76           HA       ILE  76  13.270   1.968  -2.611
  568    HB   ILE  76           HB       ILE  76  10.403   1.508  -1.744
  569   1HG1  ILE  76          2HG1      ILE  76  11.920   0.407  -4.128
  570   2HG1  ILE  76          1HG1      ILE  76  11.450  -0.518  -2.707
  571   1HG2  ILE  76          1HG2      ILE  76  10.266   2.458  -4.264
  572   2HG2  ILE  76          2HG2      ILE  76  11.713   3.291  -3.692
  573   3HG2  ILE  76          3HG2      ILE  76  10.187   3.478  -2.825
  574   1HD1  ILE  76          1HD1      ILE  76   9.210  -0.502  -3.283
  575   2HD1  ILE  76          2HD1      ILE  76  10.023  -0.687  -4.836
  576   3HD1  ILE  76          3HD1      ILE  76   9.392   0.887  -4.352
  577    H    GLU  77           H        GLU  77  11.870   1.898   0.540
  578    HA   GLU  77           HA       GLU  77  11.308   4.634   0.874
  579   1HB   GLU  77          2HB       GLU  77  12.071   2.550   2.926
  580   2HB   GLU  77          1HB       GLU  77  11.317   4.088   3.272
  581   1HG   GLU  77          2HG       GLU  77   9.344   3.416   1.999
  582   2HG   GLU  77          1HG       GLU  77  10.098   1.857   1.677
  583    H    LEU  78           H        LEU  78  14.029   2.706   2.115
  584    HA   LEU  78           HA       LEU  78  15.615   4.784   3.038
  585   1HB   LEU  78          2HB       LEU  78  16.459   2.152   1.818
  586   2HB   LEU  78          1HB       LEU  78  17.531   3.221   2.700
  587    HG   LEU  78           HG       LEU  78  15.084   1.911   3.892
  588   1HD1  LEU  78          1HD1      LEU  78  17.833   1.129   4.670
  589   2HD1  LEU  78          2HD1      LEU  78  17.219   0.521   3.132
  590   3HD1  LEU  78          3HD1      LEU  78  16.350   0.176   4.628
  591   1HD2  LEU  78          1HD2      LEU  78  15.979   4.101   4.857
  592   2HD2  LEU  78          2HD2      LEU  78  17.399   3.170   5.335
  593   3HD2  LEU  78          3HD2      LEU  78  15.808   2.739   5.964
  594    H    GLN  79           H        GLN  79  15.330   3.403  -0.191
  595    HA   GLN  79           HA       GLN  79  17.468   4.895  -1.324
  596   1HB   GLN  79          2HB       GLN  79  15.144   3.448  -2.582
  597   2HB   GLN  79          1HB       GLN  79  16.445   4.191  -3.503
  598   1HG   GLN  79          2HG       GLN  79  18.050   2.758  -2.312
  599   2HG   GLN  79          1HG       GLN  79  16.706   1.961  -1.506
  600   1HE2  GLN  79          1HE2      GLN  79  15.576   2.720  -4.475
  601   2HE2  GLN  79          2HE2      GLN  79  15.953   1.263  -5.319
  602    H    GLN  80           H        GLN  80  14.157   5.702  -0.642
  603    HA   GLN  80           HA       GLN  80  14.170   7.862  -2.585
  604   1HB   GLN  80          2HB       GLN  80  12.116   6.519  -2.140
  605   2HB   GLN  80          1HB       GLN  80  12.076   7.188  -0.514
  606   1HG   GLN  80          2HG       GLN  80  11.683   9.379  -1.327
  607   2HG   GLN  80          1HG       GLN  80  12.003   8.891  -2.987
  608   1HE2  GLN  80          1HE2      GLN  80  10.265   8.737  -4.157
  609   2HE2  GLN  80          2HE2      GLN  80   8.697   8.258  -3.622
  610    H    GLY  81           H        GLY  81  15.381   7.419   0.481
  611   1HA   GLY  81          2HA       GLY  81  16.175   8.906   2.063
  612   2HA   GLY  81          1HA       GLY  81  16.027  10.153   0.826
  613    H    ARG  82           H        ARG  82  13.306   8.278   1.555
  614    HA   ARG  82           HA       ARG  82  11.617  10.398   2.206
  615   1HB   ARG  82          2HB       ARG  82   9.999   8.617   2.723
  616   2HB   ARG  82          1HB       ARG  82  10.831   8.363   1.213
  617   1HG   ARG  82          2HG       ARG  82  10.466   6.502   3.204
  618   2HG   ARG  82          1HG       ARG  82  11.551   6.368   1.833
  619   1HD   ARG  82          2HD       ARG  82  13.412   7.038   3.137
  620   2HD   ARG  82          1HD       ARG  82  12.373   7.582   4.453
  621    HE   ARG  82           HE       ARG  82  11.855   4.897   4.130
  622   1HH1  ARG  82          1HH1      ARG  82  14.627   6.858   4.915
  623   2HH1  ARG  82          2HH1      ARG  82  15.335   5.664   5.951
  624   1HH2  ARG  82          1HH2      ARG  82  12.772   3.329   5.492
  625   2HH2  ARG  82          2HH2      ARG  82  14.279   3.657   6.279
  626    H    VAL  83           H        VAL  83  10.638   8.457   4.444
  627    HA   VAL  83           HA       VAL  83  11.245  10.104   6.653
  628    HB   VAL  83           HB       VAL  83   9.189   8.938   6.717
  629   1HG1  VAL  83          1HG1      VAL  83   9.734   6.202   6.757
  630   2HG1  VAL  83          2HG1      VAL  83  10.774   6.832   5.476
  631   3HG1  VAL  83          3HG1      VAL  83   9.029   7.113   5.421
  632   1HG2  VAL  83          1HG2      VAL  83  10.911   7.210   8.487
  633   2HG2  VAL  83          2HG2      VAL  83   9.253   7.746   8.758
  634   3HG2  VAL  83          3HG2      VAL  83  10.580   8.903   8.856
  635    H    ARG  84           H        ARG  84  13.298  10.160   7.451
  636    HA   ARG  84           HA       ARG  84  14.859   7.690   7.509
  637   1HB   ARG  84          2HB       ARG  84  15.698  10.522   8.145
  638   2HB   ARG  84          1HB       ARG  84  16.765   9.126   8.136
  639   1HG   ARG  84          2HG       ARG  84  17.204   9.853   6.049
  640   2HG   ARG  84          1HG       ARG  84  15.757   8.911   5.666
  641   1HD   ARG  84          2HD       ARG  84  15.614  11.087   4.629
  642   2HD   ARG  84          1HD       ARG  84  14.397  10.942   5.896
  643    HE   ARG  84           HE       ARG  84  15.352  12.747   6.889
  644   1HH1  ARG  84          1HH1      ARG  84  17.800  11.160   4.976
  645   2HH1  ARG  84          2HH1      ARG  84  19.027  12.325   5.350
  646   1HH2  ARG  84          1HH2      ARG  84  16.964  14.284   7.380
  647   2HH2  ARG  84          2HH2      ARG  84  18.553  14.097   6.715
  648    H    LYS  85           H        LYS  85  12.897   9.561   9.518
  649    HA   LYS  85           HA       LYS  85  14.189   8.811  11.997
  650   1HB   LYS  85          2HB       LYS  85  12.303   9.949  13.079
  651   2HB   LYS  85          1HB       LYS  85  13.034  10.964  11.846
  652   1HG   LYS  85          2HG       LYS  85  11.237  10.469  10.312
  653   2HG   LYS  85          1HG       LYS  85  10.525   9.342  11.468
  654   1HD   LYS  85          2HD       LYS  85   9.348  11.467  11.526
  655   2HD   LYS  85          1HD       LYS  85  10.191  11.190  13.051
  656   1HE   LYS  85          2HE       LYS  85  12.021  12.643  12.281
  657   2HE   LYS  85          1HE       LYS  85  11.140  12.942  10.784
  658   1HZ   LYS  85          1HZ       LYS  85  10.732  14.055  13.419
  659   2HZ   LYS  85          2HZ       LYS  85   9.309  13.579  12.636
  660   3HZ   LYS  85          3HZ       LYS  85  10.346  14.695  11.900
  661    H    ALA  86           H        ALA  86  12.168   8.057  13.658
  662    HA   ALA  86           HA       ALA  86  11.660   5.362  12.719
  663   1HB   ALA  86          1HB       ALA  86  10.524   5.810  15.287
  664   2HB   ALA  86          2HB       ALA  86  12.115   6.565  15.236
  665   3HB   ALA  86          3HB       ALA  86  11.939   4.852  14.856
  666    H    GLU  87           H        GLU  87   9.900   4.898  11.612
  667    HA   GLU  87           HA       GLU  87   7.364   6.232  12.326
  668   1HB   GLU  87          2HB       GLU  87   6.665   6.185  10.036
  669   2HB   GLU  87          1HB       GLU  87   8.257   6.931  10.086
  670   1HG   GLU  87          2HG       GLU  87   9.291   4.952   9.255
  671   2HG   GLU  87          1HG       GLU  87   7.794   4.037   9.419
  672    H    ARG  88           H        ARG  88   5.811   4.867  12.989
  673    HA   ARG  88           HA       ARG  88   6.275   1.998  12.690
  674   1HB   ARG  88          2HB       ARG  88   5.398   3.464  14.818
  675   2HB   ARG  88          1HB       ARG  88   3.871   2.925  14.134
  676   1HG   ARG  88          2HG       ARG  88   6.151   1.150  14.985
  677   2HG   ARG  88          1HG       ARG  88   4.647   1.411  15.868
  678   1HD   ARG  88          2HD       ARG  88   3.381   0.419  14.052
  679   2HD   ARG  88          1HD       ARG  88   4.853   0.225  13.102
  680    HE   ARG  88           HE       ARG  88   3.887  -1.558  15.044
  681   1HH1  ARG  88          1HH1      ARG  88   6.874  -0.095  13.992
  682   2HH1  ARG  88          2HH1      ARG  88   7.860  -1.403  14.557
  683   1HH2  ARG  88          1HH2      ARG  88   5.177  -3.279  15.789
  684   2HH2  ARG  88          2HH2      ARG  88   6.895  -3.211  15.578
  685    H    TRP  89           H        TRP  89   3.602   4.294  12.322
  686    HA   TRP  89           HA       TRP  89   2.561   2.664  10.098
  687   1HB   TRP  89          2HB       TRP  89   1.089   4.156  12.267
  688   2HB   TRP  89          1HB       TRP  89   0.311   3.726  10.750
  689    HD1  TRP  89           HD       TRP  89   2.704   1.318  12.564
  690    HE1  TRP  89           1HE      TRP  89   1.352  -0.741  13.312
  691    HE3  TRP  89           3HE      TRP  89  -1.978   2.938  11.331
  692    HZ2  TRP  89           2HZ      TRP  89  -1.349  -1.566  13.375
  693    HZ3  TRP  89           3HZ      TRP  89  -3.897   1.457  11.768
  694    HH2  TRP  89           HH       TRP  89  -3.586  -0.748  12.768
  695    H    GLY  90           H        GLY  90   3.290   5.826  11.352
  696   1HA   GLY  90          2HA       GLY  90   2.041   7.559   9.688
  697   2HA   GLY  90          1HA       GLY  90   3.653   7.836  10.296
  698    HA   PRO  91           HA       PRO  91   3.279   6.709   5.517
  699   1HB   PRO  91          2HB       PRO  91   2.597   9.602   5.212
  700   2HB   PRO  91          1HB       PRO  91   2.013   8.208   4.293
  701   1HG   PRO  91          2HG       PRO  91   0.425   9.369   6.058
  702   2HG   PRO  91          1HG       PRO  91   0.488   7.598   5.957
  703   1HD   PRO  91          2HD       PRO  91   1.812   9.429   7.929
  704   2HD   PRO  91          1HD       PRO  91   0.945   7.904   8.223
  705    H    ARG  92           H        ARG  92   4.172   9.715   7.126
  706    HA   ARG  92           HA       ARG  92   5.966  11.132   6.853
  707   1HB   ARG  92          2HB       ARG  92   6.490   9.058   8.417
  708   2HB   ARG  92          1HB       ARG  92   7.689   8.724   7.178
  709   1HG   ARG  92          2HG       ARG  92   7.486  11.178   8.892
  710   2HG   ARG  92          1HG       ARG  92   8.732   9.950   8.936
  711   1HD   ARG  92          2HD       ARG  92   9.421  10.614   6.668
  712   2HD   ARG  92          1HD       ARG  92   8.193  11.878   6.681
  713    HE   ARG  92           HE       ARG  92   9.757  12.273   8.929
  714   1HH1  ARG  92          1HH1      ARG  92  10.217  12.241   5.475
  715   2HH1  ARG  92          2HH1      ARG  92  11.494  13.409   5.505
  716   1HH2  ARG  92          1HH2      ARG  92  11.444  13.806   8.978
  717   2HH2  ARG  92          2HH2      ARG  92  12.193  14.296   7.496
  718    H    THR  93           H        THR  93   5.338  11.064   4.398
  719    HA   THR  93           HA       THR  93   6.150  11.524   2.345
  720    HB   THR  93           HB       THR  93   8.436  11.653   1.878
  721    HG1  THR  93           1HG      THR  93   8.824   9.423   2.570
  722   1HG2  THR  93          1HG2      THR  93   7.639  12.960   3.985
  723   2HG2  THR  93          2HG2      THR  93   9.349  12.901   3.551
  724   3HG2  THR  93          3HG2      THR  93   8.725  11.854   4.825
  725    H    LEU  94           H        LEU  94   7.353   8.418   3.665
  726    HA   LEU  94           HA       LEU  94   5.922   7.144   1.520
  727   1HB   LEU  94          2HB       LEU  94   8.044   7.571   0.426
  728   2HB   LEU  94          1HB       LEU  94   8.913   6.820   1.752
  729    HG   LEU  94           HG       LEU  94   7.812   4.657   1.191
  730   1HD1  LEU  94          1HD1      LEU  94   6.924   4.661  -1.261
  731   2HD1  LEU  94          2HD1      LEU  94   6.586   6.360  -0.923
  732   3HD1  LEU  94          3HD1      LEU  94   5.859   5.098   0.073
  733   1HD2  LEU  94          1HD2      LEU  94   9.510   6.045  -0.859
  734   2HD2  LEU  94          2HD2      LEU  94   9.068   4.344  -0.992
  735   3HD2  LEU  94          3HD2      LEU  94  10.004   4.907   0.391
  736    H    ASP  95           H        ASP  95   5.363   5.089   1.856
  737    HA   ASP  95           HA       ASP  95   6.477   3.359   3.795
  738   1HB   ASP  95          2HB       ASP  95   5.356   4.876   5.371
  739   2HB   ASP  95          1HB       ASP  95   3.836   4.663   4.510
  740    H    LEU  96           H        LEU  96   6.415   2.013   1.971
  741    HA   LEU  96           HA       LEU  96   3.725   1.204   1.105
  742   1HB   LEU  96          2HB       LEU  96   4.695   0.504  -1.003
  743   2HB   LEU  96          1HB       LEU  96   5.100   2.170  -0.675
  744    HG   LEU  96           HG       LEU  96   7.003  -0.119  -0.188
  745   1HD1  LEU  96          1HD1      LEU  96   8.105   0.722  -2.281
  746   2HD1  LEU  96          2HD1      LEU  96   6.635   1.645  -2.597
  747   3HD1  LEU  96          3HD1      LEU  96   6.572  -0.115  -2.524
  748   1HD2  LEU  96          1HD2      LEU  96   7.257   2.874  -0.180
  749   2HD2  LEU  96          2HD2      LEU  96   8.652   1.813  -0.373
  750   3HD2  LEU  96          3HD2      LEU  96   7.679   1.733   1.095
  751    H    ASP  97           H        ASP  97   3.146  -0.472   2.334
  752    HA   ASP  97           HA       ASP  97   4.979  -2.778   2.441
  753   1HB   ASP  97          2HB       ASP  97   3.026  -1.937   4.605
  754   2HB   ASP  97          1HB       ASP  97   4.069  -3.354   4.644
  755    H    ILE  98           H        ILE  98   4.120  -4.768   2.015
  756    HA   ILE  98           HA       ILE  98   1.882  -4.980   0.395
  757    HB   ILE  98           HB       ILE  98   3.400  -7.030   1.978
  758   1HG1  ILE  98          2HG1      ILE  98   4.485  -6.102  -0.001
  759   2HG1  ILE  98          1HG1      ILE  98   4.060  -7.789  -0.262
  760   1HG2  ILE  98          1HG2      ILE  98   1.741  -8.498   1.848
  761   2HG2  ILE  98          2HG2      ILE  98   1.805  -8.375   0.091
  762   3HG2  ILE  98          3HG2      ILE  98   0.723  -7.328   1.008
  763   1HD1  ILE  98          1HD1      ILE  98   2.124  -7.117  -1.566
  764   2HD1  ILE  98          2HD1      ILE  98   3.609  -6.436  -2.231
  765   3HD1  ILE  98          3HD1      ILE  98   2.519  -5.420  -1.286
  766    H    MET  99           H        MET  99  -0.214  -5.147   0.708
  767    HA   MET  99           HA       MET  99  -1.206  -5.587   3.449
  768   1HB   MET  99          2HB       MET  99  -2.441  -3.920   1.244
  769   2HB   MET  99          1HB       MET  99  -3.172  -4.219   2.813
  770   1HG   MET  99          2HG       MET  99  -0.597  -2.747   2.298
  771   2HG   MET  99          1HG       MET  99  -2.146  -2.029   2.737
  772   1HE   MET  99          1HE       MET  99  -2.696  -3.040   6.365
  773   2HE   MET  99          2HE       MET  99  -3.043  -4.318   5.200
  774   3HE   MET  99          3HE       MET  99  -3.429  -2.641   4.811
  775    H    LEU 100           H        LEU 100  -1.224  -6.531   0.165
  776    HA   LEU 100           HA       LEU 100  -2.856  -8.836   0.764
  777   1HB   LEU 100          2HB       LEU 100  -3.967  -6.548  -0.601
  778   2HB   LEU 100          1HB       LEU 100  -3.925  -7.916  -1.695
  779    HG   LEU 100           HG       LEU 100  -5.246  -7.872   1.024
  780   1HD1  LEU 100          1HD1      LEU 100  -6.153  -7.173  -1.648
  781   2HD1  LEU 100          2HD1      LEU 100  -6.896  -6.862  -0.080
  782   3HD1  LEU 100          3HD1      LEU 100  -7.151  -8.409  -0.885
  783   1HD2  LEU 100          1HD2      LEU 100  -6.159 -10.036  -0.487
  784   2HD2  LEU 100          2HD2      LEU 100  -5.134 -10.088   0.946
  785   3HD2  LEU 100          3HD2      LEU 100  -4.404 -10.048  -0.660
  786    H    PHE 101           H        PHE 101  -2.152 -10.576  -0.387
  787    HA   PHE 101           HA       PHE 101  -0.604 -10.109  -2.821
  788   1HB   PHE 101          2HB       PHE 101   0.880 -10.175  -0.710
  789   2HB   PHE 101          1HB       PHE 101   0.516 -11.896  -0.679
  790    HD1  PHE 101           1HD      PHE 101   1.689 -13.388  -2.026
  791    HD2  PHE 101           2HD      PHE 101   1.974  -9.211  -2.776
  792    HE1  PHE 101           1HE      PHE 101   3.506 -13.802  -3.638
  793    HE2  PHE 101           2HE      PHE 101   3.786  -9.615  -4.390
  794    HZ   PHE 101           HZ       PHE 101   4.553 -11.914  -4.822
  795    H    GLY 102           H        GLY 102  -2.250 -11.109  -3.977
  796   1HA   GLY 102          2HA       GLY 102  -3.370 -12.859  -4.944
  797   2HA   GLY 102          1HA       GLY 102  -2.009 -13.842  -4.429
  798    H    ASN 103           H        ASN 103  -2.699 -15.589  -3.422
  799    HA   ASN 103           HA       ASN 103  -4.976 -15.351  -1.556
  800   1HB   ASN 103          2HB       ASN 103  -5.533 -17.662  -2.075
  801   2HB   ASN 103          1HB       ASN 103  -5.461 -16.727  -3.567
  802   1HD2  ASN 103          1HD2      ASN 103  -4.394 -19.461  -1.965
  803   2HD2  ASN 103          2HD2      ASN 103  -3.127 -19.923  -3.045
  804    H    GLU 104           H        GLU 104  -1.672 -15.945  -1.816
  805    HA   GLU 104           HA       GLU 104  -1.331 -17.968   0.093
  806   1HB   GLU 104          2HB       GLU 104   0.986 -16.953   0.268
  807   2HB   GLU 104          1HB       GLU 104   0.497 -17.606  -1.273
  808   1HG   GLU 104          2HG       GLU 104  -0.052 -14.750  -0.881
  809   2HG   GLU 104          1HG       GLU 104   1.655 -15.193  -0.918
  810    H    VAL 105           H        VAL 105  -0.323 -17.751   2.165
  811    HA   VAL 105           HA       VAL 105  -0.863 -15.266   3.599
  812    HB   VAL 105           HB       VAL 105  -1.971 -17.970   4.332
  813   1HG1  VAL 105          1HG1      VAL 105  -1.828 -17.470   6.501
  814   2HG1  VAL 105          2HG1      VAL 105  -2.732 -15.981   6.223
  815   3HG1  VAL 105          3HG1      VAL 105  -0.973 -15.980   6.103
  816   1HG2  VAL 105          1HG2      VAL 105  -3.183 -15.281   3.749
  817   2HG2  VAL 105          2HG2      VAL 105  -4.082 -16.582   4.529
  818   3HG2  VAL 105          3HG2      VAL 105  -3.444 -16.806   2.900
  819    H    ILE 106           H        ILE 106   1.346 -14.967   3.763
  820    HA   ILE 106           HA       ILE 106   2.708 -16.775   5.639
  821    HB   ILE 106           HB       ILE 106   4.004 -15.527   3.214
  822   1HG1  ILE 106          2HG1      ILE 106   3.368 -18.441   3.727
  823   2HG1  ILE 106          1HG1      ILE 106   2.433 -17.391   2.665
  824   1HG2  ILE 106          1HG2      ILE 106   5.132 -17.573   5.110
  825   2HG2  ILE 106          2HG2      ILE 106   5.413 -15.839   5.264
  826   3HG2  ILE 106          3HG2      ILE 106   5.977 -16.701   3.833
  827   1HD1  ILE 106          1HD1      ILE 106   5.029 -18.693   2.234
  828   2HD1  ILE 106          2HD1      ILE 106   4.898 -17.035   1.646
  829   3HD1  ILE 106          3HD1      ILE 106   3.762 -18.262   1.085
  830    H    ASN 107           H        ASN 107   2.738 -15.468   7.401
  831    HA   ASN 107           HA       ASN 107   3.432 -12.653   7.095
  832   1HB   ASN 107          2HB       ASN 107   2.739 -14.268   9.564
  833   2HB   ASN 107          1HB       ASN 107   3.045 -12.536   9.548
  834   1HD2  ASN 107          1HD2      ASN 107   1.551 -13.197   6.702
  835   2HD2  ASN 107          2HD2      ASN 107  -0.087 -12.905   7.163
  836    H    THR 108           H        THR 108   5.528 -12.346   6.729
  837    HA   THR 108           HA       THR 108   7.467 -14.057   8.081
  838    HB   THR 108           HB       THR 108   8.386 -11.901   6.267
  839    HG1  THR 108           1HG      THR 108   7.449 -14.116   4.943
  840   1HG2  THR 108          1HG2      THR 108  10.074 -13.295   5.840
  841   2HG2  THR 108          2HG2      THR 108   9.006 -14.692   5.700
  842   3HG2  THR 108          3HG2      THR 108   9.532 -14.140   7.289
  843    H    GLU 109           H        GLU 109   9.621 -12.156   8.010
  844    HA   GLU 109           HA       GLU 109   9.378 -11.079  10.607
  845   1HB   GLU 109          2HB       GLU 109  11.386 -10.461   8.432
  846   2HB   GLU 109          1HB       GLU 109  11.542  -9.966  10.110
  847   1HG   GLU 109          2HG       GLU 109  11.402 -12.818   9.156
  848   2HG   GLU 109          1HG       GLU 109  12.882 -11.950   9.558
  849    H    ARG 110           H        ARG 110  10.370  -9.020   7.925
  850    HA   ARG 110           HA       ARG 110   8.796  -6.839   8.999
  851   1HB   ARG 110          2HB       ARG 110  10.527  -6.928   6.516
  852   2HB   ARG 110          1HB       ARG 110   9.874  -5.483   7.273
  853   1HG   ARG 110          2HG       ARG 110  11.218  -5.917   9.268
  854   2HG   ARG 110          1HG       ARG 110  11.885  -7.359   8.499
  855   1HD   ARG 110          2HD       ARG 110  12.823  -5.968   6.715
  856   2HD   ARG 110          1HD       ARG 110  12.159  -4.530   7.486
  857    HE   ARG 110           HE       ARG 110  14.594  -5.776   8.120
  858   1HH1  ARG 110          1HH1      ARG 110  11.827  -4.345   9.688
  859   2HH1  ARG 110          2HH1      ARG 110  12.711  -3.878  11.103
  860   1HH2  ARG 110          1HH2      ARG 110  15.764  -5.162   9.975
  861   2HH2  ARG 110          2HH2      ARG 110  14.950  -4.341  11.265
  862    H    LEU 111           H        LEU 111   8.445  -9.350   6.811
  863    HA   LEU 111           HA       LEU 111   6.549  -8.031   5.070
  864   1HB   LEU 111          2HB       LEU 111   8.035  -9.693   4.111
  865   2HB   LEU 111          1HB       LEU 111   7.497 -10.889   5.265
  866    HG   LEU 111           HG       LEU 111   6.616 -11.095   2.903
  867   1HD1  LEU 111          1HD1      LEU 111   4.251 -10.894   4.642
  868   2HD1  LEU 111          2HD1      LEU 111   5.573 -11.911   5.212
  869   3HD1  LEU 111          3HD1      LEU 111   4.825 -12.232   3.647
  870   1HD2  LEU 111          1HD2      LEU 111   5.857  -8.443   3.319
  871   2HD2  LEU 111          2HD2      LEU 111   4.361  -9.380   3.312
  872   3HD2  LEU 111          3HD2      LEU 111   5.467  -9.473   1.941
  873    H    THR 112           H        THR 112   4.399  -8.436   4.953
  874    HA   THR 112           HA       THR 112   3.154 -10.186   6.920
  875    HB   THR 112           HB       THR 112   1.404  -8.259   7.172
  876    HG1  THR 112           1HG      THR 112   2.164  -6.700   5.895
  877   1HG2  THR 112          1HG2      THR 112   2.106  -8.198   9.255
  878   2HG2  THR 112          2HG2      THR 112   3.535  -7.276   8.781
  879   3HG2  THR 112          3HG2      THR 112   3.577  -9.040   8.760
  880    H    VAL 113           H        VAL 113   1.508 -11.305   6.036
  881    HA   VAL 113           HA       VAL 113   0.839 -10.731   3.283
  882    HB   VAL 113           HB       VAL 113   1.108 -13.075   4.690
  883   1HG1  VAL 113          1HG1      VAL 113  -1.320 -12.356   5.550
  884   2HG1  VAL 113          2HG1      VAL 113  -0.825 -14.036   5.331
  885   3HG1  VAL 113          3HG1      VAL 113  -1.772 -13.226   4.084
  886   1HG2  VAL 113          1HG2      VAL 113  -0.428 -13.844   2.537
  887   2HG2  VAL 113          2HG2      VAL 113   1.317 -13.586   2.543
  888   3HG2  VAL 113          3HG2      VAL 113   0.235 -12.287   2.041
  889    HA   PRO 114           HA       PRO 114  -3.326  -8.851   3.424
  890   1HB   PRO 114          2HB       PRO 114  -4.384 -11.469   4.449
  891   2HB   PRO 114          1HB       PRO 114  -5.142 -10.318   3.342
  892   1HG   PRO 114          2HG       PRO 114  -3.696 -12.554   2.553
  893   2HG   PRO 114          1HG       PRO 114  -4.022 -11.143   1.536
  894   1HD   PRO 114          2HD       PRO 114  -1.491 -12.026   2.463
  895   2HD   PRO 114          1HD       PRO 114  -1.841 -10.496   1.637
  896    H    HIS 115           H        HIS 115  -2.668  -7.496   5.079
  897    HA   HIS 115           HA       HIS 115  -2.610  -8.341   7.814
  898   1HB   HIS 115          2HB       HIS 115  -1.110  -6.602   6.740
  899   2HB   HIS 115          1HB       HIS 115  -2.501  -5.527   6.720
  900    HD1  HIS 115           1HD      HIS 115  -3.629  -5.900   9.507
  901    HD2  HIS 115           2HD      HIS 115   0.440  -5.590   8.701
  902    HE1  HIS 115           1HE      HIS 115  -2.575  -5.117  11.653
  903    HE2  HIS 115           2HE      HIS 115  -0.123  -4.877  11.124
  904    H    TYR 116           H        TYR 116  -4.364  -8.550   9.025
  905    HA   TYR 116           HA       TYR 116  -6.927  -7.665   8.328
  906   1HB   TYR 116          2HB       TYR 116  -7.250  -7.885  10.960
  907   2HB   TYR 116          1HB       TYR 116  -7.072  -9.300   9.935
  908    HD1  TYR 116           1HD      TYR 116  -4.325  -7.026  11.045
  909    HD2  TYR 116           2HD      TYR 116  -6.182 -10.835  11.464
  910    HE1  TYR 116           1HE      TYR 116  -2.442  -7.789  12.424
  911    HE2  TYR 116           2HE      TYR 116  -4.299 -11.605  12.840
  912    HH   TYR 116           HH       TYR 116  -1.514  -9.503  13.491
  913    H    ASP 117           H        ASP 117  -6.894  -5.521   7.715
  914    HA   ASP 117           HA       ASP 117  -7.217  -3.571   9.743
  915   1HB   ASP 117          2HB       ASP 117  -4.668  -3.987   9.620
  916   2HB   ASP 117          1HB       ASP 117  -4.752  -3.179   8.061
  917    H    MET 118           H        MET 118  -6.152  -4.051   6.417
  918    HA   MET 118           HA       MET 118  -6.896  -1.740   5.195
  919   1HB   MET 118          2HB       MET 118  -7.158  -3.040   3.142
  920   2HB   MET 118          1HB       MET 118  -5.746  -3.553   4.052
  921   1HG   MET 118          2HG       MET 118  -6.771  -5.550   4.728
  922   2HG   MET 118          1HG       MET 118  -8.373  -4.980   4.263
  923   1HE   MET 118          1HE       MET 118  -5.351  -4.519   1.367
  924   2HE   MET 118          2HE       MET 118  -4.944  -6.222   1.577
  925   3HE   MET 118          3HE       MET 118  -4.902  -5.127   2.960
  926    H    LYS 119           H        LYS 119  -8.981  -4.438   5.995
  927    HA   LYS 119           HA       LYS 119 -11.260  -3.527   4.609
  928   1HB   LYS 119          2HB       LYS 119 -12.423  -5.194   6.162
  929   2HB   LYS 119          1HB       LYS 119 -11.169  -5.806   5.088
  930   1HG   LYS 119          2HG       LYS 119  -9.553  -5.703   6.926
  931   2HG   LYS 119          1HG       LYS 119 -10.840  -5.161   8.008
  932   1HD   LYS 119          2HD       LYS 119 -10.494  -7.541   8.294
  933   2HD   LYS 119          1HD       LYS 119 -12.068  -7.259   7.551
  934   1HE   LYS 119          2HE       LYS 119 -10.905  -9.121   6.485
  935   2HE   LYS 119          1HE       LYS 119 -11.140  -7.785   5.358
  936   1HZ   LYS 119          1HZ       LYS 119  -8.634  -8.523   6.764
  937   2HZ   LYS 119          2HZ       LYS 119  -8.825  -7.098   5.878
  938   3HZ   LYS 119          3HZ       LYS 119  -8.934  -8.596   5.100
  939    H    ASN 120           H        ASN 120 -10.120  -3.003   7.905
  940    HA   ASN 120           HA       ASN 120 -12.572  -1.605   8.585
  941   1HB   ASN 120          2HB       ASN 120 -11.693  -1.434  10.814
  942   2HB   ASN 120          1HB       ASN 120 -11.377  -3.066  10.233
  943   1HD2  ASN 120          1HD2      ASN 120  -9.585  -3.718  11.126
  944   2HD2  ASN 120          2HD2      ASN 120  -8.105  -2.833  11.221
  945    H    ARG 121           H        ARG 121 -10.878  -0.619   6.433
  946    HA   ARG 121           HA       ARG 121 -10.679   2.147   7.290
  947   1HB   ARG 121          2HB       ARG 121  -8.303   0.656   6.153
  948   2HB   ARG 121          1HB       ARG 121  -8.383   2.395   6.375
  949   1HG   ARG 121          2HG       ARG 121  -8.749   0.521   8.680
  950   2HG   ARG 121          1HG       ARG 121  -7.141   0.985   8.118
  951   1HD   ARG 121          2HD       ARG 121  -7.850   2.421   9.946
  952   2HD   ARG 121          1HD       ARG 121  -7.724   3.349   8.454
  953    HE   ARG 121           HE       ARG 121 -10.367   2.481   8.725
  954   1HH1  ARG 121          1HH1      ARG 121  -8.121   4.641  10.282
  955   2HH1  ARG 121          2HH1      ARG 121  -9.354   5.714  10.857
  956   1HH2  ARG 121          1HH2      ARG 121 -11.995   3.883   9.479
  957   2HH2  ARG 121          2HH2      ARG 121 -11.556   5.282  10.401
  958    H    GLY 122           H        GLY 122  -9.526   3.304   5.163
  959   1HA   GLY 122          2HA       GLY 122 -10.962   2.267   2.801
  960   2HA   GLY 122          1HA       GLY 122 -11.052   3.964   3.250
  961    H    PHE 123           H        PHE 123  -8.070   3.271   4.140
  962    HA   PHE 123           HA       PHE 123  -6.870   4.529   1.894
  963   1HB   PHE 123          2HB       PHE 123  -5.888   4.952   4.018
  964   2HB   PHE 123          1HB       PHE 123  -5.771   3.235   4.391
  965    HD1  PHE 123           1HD      PHE 123  -3.485   3.125   4.904
  966    HD2  PHE 123           2HD      PHE 123  -4.724   4.804   1.195
  967    HE1  PHE 123           1HE      PHE 123  -1.156   3.101   4.120
  968    HE2  PHE 123           2HE      PHE 123  -2.394   4.779   0.404
  969    HZ   PHE 123           HZ       PHE 123  -0.607   3.926   1.867
  970    H    MET 124           H        MET 124  -7.192   1.218   2.991
  971    HA   MET 124           HA       MET 124  -5.511   0.252   0.827
  972   1HB   MET 124          2HB       MET 124  -6.907  -1.095   3.128
  973   2HB   MET 124          1HB       MET 124  -6.202  -2.019   1.812
  974   1HG   MET 124          2HG       MET 124  -4.700  -1.863   3.721
  975   2HG   MET 124          1HG       MET 124  -4.015  -1.107   2.285
  976   1HE   MET 124          1HE       MET 124  -5.495   0.005   6.088
  977   2HE   MET 124          2HE       MET 124  -6.644  -0.232   4.771
  978   3HE   MET 124          3HE       MET 124  -6.260   1.399   5.324
  979    H    LEU 125           H        LEU 125  -8.783  -0.557   1.966
  980    HA   LEU 125           HA       LEU 125  -9.701  -2.007  -0.141
  981   1HB   LEU 125          2HB       LEU 125 -11.287   0.007   1.445
  982   2HB   LEU 125          1HB       LEU 125 -11.965  -1.291   0.483
  983    HG   LEU 125           HG       LEU 125 -10.261  -1.619   2.949
  984   1HD1  LEU 125          1HD1      LEU 125 -12.536  -2.767   3.616
  985   2HD1  LEU 125          2HD1      LEU 125 -13.184  -1.638   2.425
  986   3HD1  LEU 125          3HD1      LEU 125 -12.286  -1.033   3.817
  987   1HD2  LEU 125          1HD2      LEU 125  -9.919  -3.399   1.259
  988   2HD2  LEU 125          2HD2      LEU 125 -11.651  -3.730   1.309
  989   3HD2  LEU 125          3HD2      LEU 125 -10.663  -3.983   2.748
  990    H    TRP 126           H        TRP 126 -10.568   1.434   0.174
  991    HA   TRP 126           HA       TRP 126 -11.804   1.778  -2.213
  992   1HB   TRP 126          2HB       TRP 126 -11.826   3.498  -0.540
  993   2HB   TRP 126          1HB       TRP 126 -10.097   3.763  -0.714
  994    HD1  TRP 126           HD       TRP 126  -9.864   6.098  -1.696
  995    HE1  TRP 126           1HE      TRP 126 -10.868   7.370  -3.698
  996    HE3  TRP 126           3HE      TRP 126 -13.281   2.619  -3.240
  997    HZ2  TRP 126           2HZ      TRP 126 -12.844   6.954  -5.669
  998    HZ3  TRP 126           3HZ      TRP 126 -14.688   3.136  -5.192
  999    HH2  TRP 126           HH       TRP 126 -14.473   5.258  -6.378
 1000    HA   PRO 127           HA       PRO 127  -7.836   3.070  -4.606
 1001   1HB   PRO 127          2HB       PRO 127  -5.585   2.188  -2.925
 1002   2HB   PRO 127          1HB       PRO 127  -5.834   3.724  -3.762
 1003   1HG   PRO 127          2HG       PRO 127  -6.006   3.560  -1.104
 1004   2HG   PRO 127          1HG       PRO 127  -7.087   4.618  -2.036
 1005   1HD   PRO 127          2HD       PRO 127  -7.636   1.891  -0.889
 1006   2HD   PRO 127          1HD       PRO 127  -8.657   3.352  -0.851
 1007    H    LEU 128           H        LEU 128  -7.366   0.186  -2.569
 1008    HA   LEU 128           HA       LEU 128  -5.987  -1.364  -4.480
 1009   1HB   LEU 128          2HB       LEU 128  -6.777  -1.719  -1.869
 1010   2HB   LEU 128          1HB       LEU 128  -7.792  -2.851  -2.726
 1011    HG   LEU 128           HG       LEU 128  -5.665  -3.728  -3.796
 1012   1HD1  LEU 128          1HD1      LEU 128  -4.076  -2.069  -3.305
 1013   2HD1  LEU 128          2HD1      LEU 128  -3.689  -3.380  -2.190
 1014   3HD1  LEU 128          3HD1      LEU 128  -4.574  -1.966  -1.617
 1015   1HD2  LEU 128          1HD2      LEU 128  -7.052  -4.763  -1.930
 1016   2HD2  LEU 128          2HD2      LEU 128  -5.839  -4.122  -0.821
 1017   3HD2  LEU 128          3HD2      LEU 128  -5.372  -5.288  -2.059
 1018    H    PHE 129           H        PHE 129  -9.309  -0.602  -3.994
 1019    HA   PHE 129           HA       PHE 129 -10.557  -2.653  -5.468
 1020   1HB   PHE 129          2HB       PHE 129 -11.751  -1.092  -3.962
 1021   2HB   PHE 129          1HB       PHE 129 -11.411   0.234  -5.063
 1022    HD1  PHE 129           1HD      PHE 129 -13.122   0.886  -6.437
 1023    HD2  PHE 129           2HD      PHE 129 -12.921  -3.177  -5.189
 1024    HE1  PHE 129           1HE      PHE 129 -15.215   0.416  -7.642
 1025    HE2  PHE 129           2HE      PHE 129 -15.013  -3.654  -6.390
 1026    HZ   PHE 129           HZ       PHE 129 -16.173  -1.840  -7.610
 1027    H    GLU 130           H        GLU 130  -8.539  -0.115  -6.422
 1028    HA   GLU 130           HA       GLU 130  -9.533  -0.118  -9.179
 1029   1HB   GLU 130          2HB       GLU 130  -9.355   2.090  -8.191
 1030   2HB   GLU 130          1HB       GLU 130  -7.681   1.791  -7.746
 1031   1HG   GLU 130          2HG       GLU 130  -7.753   3.207  -9.679
 1032   2HG   GLU 130          1HG       GLU 130  -7.098   1.634 -10.131
 1033    H    ILE 131           H        ILE 131  -6.683  -0.758  -7.206
 1034    HA   ILE 131           HA       ILE 131  -4.913  -1.123  -9.410
 1035    HB   ILE 131           HB       ILE 131  -3.286  -1.742  -7.874
 1036   1HG1  ILE 131          2HG1      ILE 131  -5.360  -2.510  -5.806
 1037   2HG1  ILE 131          1HG1      ILE 131  -4.644  -3.678  -6.907
 1038   1HG2  ILE 131          1HG2      ILE 131  -3.846   0.475  -7.380
 1039   2HG2  ILE 131          2HG2      ILE 131  -3.758  -0.319  -5.809
 1040   3HG2  ILE 131          3HG2      ILE 131  -5.326   0.009  -6.544
 1041   1HD1  ILE 131          1HD1      ILE 131  -3.642  -3.547  -4.622
 1042   2HD1  ILE 131          2HD1      ILE 131  -3.020  -1.959  -5.073
 1043   3HD1  ILE 131          3HD1      ILE 131  -2.512  -3.391  -5.966
 1044    H    ALA 132           H        ALA 132  -7.120  -3.139  -7.696
 1045    HA   ALA 132           HA       ALA 132  -7.526  -5.024  -9.599
 1046   1HB   ALA 132          1HB       ALA 132  -5.198  -5.802  -7.864
 1047   2HB   ALA 132          2HB       ALA 132  -5.304  -5.804  -9.625
 1048   3HB   ALA 132          3HB       ALA 132  -6.197  -7.000  -8.686
 1049    HA   PRO 133           HA       PRO 133 -10.041  -5.683  -5.861
 1050   1HB   PRO 133          2HB       PRO 133 -12.370  -4.881  -6.765
 1051   2HB   PRO 133          1HB       PRO 133 -11.081  -3.689  -6.497
 1052   1HG   PRO 133          2HG       PRO 133 -11.983  -4.957  -9.069
 1053   2HG   PRO 133          1HG       PRO 133 -11.614  -3.254  -8.737
 1054   1HD   PRO 133          2HD       PRO 133  -9.842  -5.095  -9.852
 1055   2HD   PRO 133          1HD       PRO 133  -9.380  -3.566  -9.079
 1056    H    GLU 134           H        GLU 134  -9.395  -7.417  -8.401
 1057    HA   GLU 134           HA       GLU 134 -11.780  -9.127  -8.412
 1058   1HB   GLU 134          2HB       GLU 134 -10.672 -10.300 -10.275
 1059   2HB   GLU 134          1HB       GLU 134 -10.813  -8.579 -10.601
 1060   1HG   GLU 134          2HG       GLU 134  -8.477  -8.261  -9.970
 1061   2HG   GLU 134          1HG       GLU 134  -8.333  -9.987  -9.638
 1062    H    LEU 135           H        LEU 135  -9.539  -8.628  -6.410
 1063    HA   LEU 135           HA       LEU 135  -8.208 -11.134  -6.089
 1064   1HB   LEU 135          2HB       LEU 135  -7.472  -8.757  -5.422
 1065   2HB   LEU 135          1HB       LEU 135  -8.500  -8.980  -4.029
 1066    HG   LEU 135           HG       LEU 135  -6.000  -9.447  -3.805
 1067   1HD1  LEU 135          1HD1      LEU 135  -7.964 -11.546  -2.900
 1068   2HD1  LEU 135          2HD1      LEU 135  -7.702  -9.990  -2.110
 1069   3HD1  LEU 135          3HD1      LEU 135  -6.405 -11.185  -2.159
 1070   1HD2  LEU 135          1HD2      LEU 135  -5.068 -11.345  -4.646
 1071   2HD2  LEU 135          2HD2      LEU 135  -6.242 -11.022  -5.921
 1072   3HD2  LEU 135          3HD2      LEU 135  -6.600 -12.216  -4.674
 1073    H    VAL 136           H        VAL 136  -8.657 -12.748  -4.674
 1074    HA   VAL 136           HA       VAL 136 -10.939 -12.432  -2.875
 1075    HB   VAL 136           HB       VAL 136 -11.959 -13.439  -4.793
 1076   1HG1  VAL 136          1HG1      VAL 136 -10.347 -14.349  -6.145
 1077   2HG1  VAL 136          2HG1      VAL 136 -11.016 -15.815  -5.429
 1078   3HG1  VAL 136          3HG1      VAL 136  -9.510 -15.138  -4.806
 1079   1HG2  VAL 136          1HG2      VAL 136 -12.008 -15.970  -3.630
 1080   2HG2  VAL 136          2HG2      VAL 136 -13.106 -14.630  -3.307
 1081   3HG2  VAL 136          3HG2      VAL 136 -11.680 -14.863  -2.297
 1082    H    PHE 137           H        PHE 137 -10.509 -13.229  -0.909
 1083    HA   PHE 137           HA       PHE 137  -7.987 -14.403  -0.338
 1084   1HB   PHE 137          2HB       PHE 137 -10.464 -14.054   1.369
 1085   2HB   PHE 137          1HB       PHE 137  -8.925 -14.649   1.981
 1086    HD1  PHE 137           1HD      PHE 137  -9.891 -11.795  -0.247
 1087    HD2  PHE 137           2HD      PHE 137  -7.910 -13.084   3.293
 1088    HE1  PHE 137           1HE      PHE 137  -9.167  -9.484   0.185
 1089    HE2  PHE 137           2HE      PHE 137  -7.184 -10.776   3.732
 1090    HZ   PHE 137           HZ       PHE 137  -7.811  -8.972   2.176
 1091    HA   PRO 138           HA       PRO 138  -8.540 -18.762  -0.721
 1092   1HB   PRO 138          2HB       PRO 138  -7.978 -18.957   2.205
 1093   2HB   PRO 138          1HB       PRO 138  -7.243 -19.839   0.861
 1094   1HG   PRO 138          2HG       PRO 138  -5.938 -17.850   2.046
 1095   2HG   PRO 138          1HG       PRO 138  -5.859 -18.065   0.287
 1096   1HD   PRO 138          2HD       PRO 138  -7.375 -16.059   1.890
 1097   2HD   PRO 138          1HD       PRO 138  -6.608 -15.888   0.298
 1098    H    ASP 139           H        ASP 139 -10.225 -16.935   1.659
 1099    HA   ASP 139           HA       ASP 139 -12.041 -18.987   2.501
 1100   1HB   ASP 139          2HB       ASP 139 -11.417 -16.921   3.829
 1101   2HB   ASP 139          1HB       ASP 139 -12.408 -15.995   2.711
 1102    H    GLY 140           H        GLY 140 -12.535 -15.982   0.642
 1103   1HA   GLY 140          2HA       GLY 140 -13.732 -16.826  -1.603
 1104   2HA   GLY 140          1HA       GLY 140 -15.028 -17.009  -0.431
 1105    H    GLU 141           H        GLU 141 -13.372 -14.518   0.780
 1106    HA   GLU 141           HA       GLU 141 -15.240 -12.587  -0.257
 1107   1HB   GLU 141          2HB       GLU 141 -13.094 -12.498   1.842
 1108   2HB   GLU 141          1HB       GLU 141 -13.870 -11.025   1.278
 1109   1HG   GLU 141          2HG       GLU 141 -15.017 -11.663   3.223
 1110   2HG   GLU 141          1HG       GLU 141 -16.069 -12.088   1.875
 1111    H    MET 142           H        MET 142 -14.509 -10.429  -0.955
 1112    HA   MET 142           HA       MET 142 -11.932 -10.382  -2.351
 1113   1HB   MET 142          2HB       MET 142 -14.582  -9.777  -3.683
 1114   2HB   MET 142          1HB       MET 142 -12.997  -9.602  -4.426
 1115   1HG   MET 142          2HG       MET 142 -12.650 -12.016  -4.233
 1116   2HG   MET 142          1HG       MET 142 -14.249 -12.183  -3.510
 1117   1HE   MET 142          1HE       MET 142 -16.436 -11.527  -4.676
 1118   2HE   MET 142          2HE       MET 142 -16.641 -11.282  -6.411
 1119   3HE   MET 142          3HE       MET 142 -15.938 -10.006  -5.418
 1120    H    LEU 143           H        LEU 143 -11.457  -8.084  -3.211
 1121    HA   LEU 143           HA       LEU 143 -11.835  -6.205  -1.168
 1122   1HB   LEU 143          2HB       LEU 143 -10.160  -6.252  -3.175
 1123   2HB   LEU 143          1HB       LEU 143 -11.430  -5.407  -4.038
 1124    HG   LEU 143           HG       LEU 143  -9.787  -3.844  -3.182
 1125   1HD1  LEU 143          1HD1      LEU 143 -12.018  -3.279  -1.350
 1126   2HD1  LEU 143          2HD1      LEU 143 -12.419  -3.489  -3.055
 1127   3HD1  LEU 143          3HD1      LEU 143 -11.253  -2.257  -2.568
 1128   1HD2  LEU 143          1HD2      LEU 143  -9.299  -5.426  -1.173
 1129   2HD2  LEU 143          2HD2      LEU 143 -10.538  -4.463  -0.370
 1130   3HD2  LEU 143          3HD2      LEU 143  -9.088  -3.684  -1.002
 1131    H    ARG 144           H        ARG 144 -13.731  -7.189  -3.871
 1132    HA   ARG 144           HA       ARG 144 -15.500  -4.945  -3.937
 1133   1HB   ARG 144          2HB       ARG 144 -15.265  -6.332  -5.899
 1134   2HB   ARG 144          1HB       ARG 144 -15.766  -7.759  -5.005
 1135   1HG   ARG 144          2HG       ARG 144 -17.519  -6.839  -6.492
 1136   2HG   ARG 144          1HG       ARG 144 -18.000  -6.923  -4.796
 1137   1HD   ARG 144          2HD       ARG 144 -17.590  -4.563  -4.516
 1138   2HD   ARG 144          1HD       ARG 144 -16.949  -4.442  -6.151
 1139    HE   ARG 144           HE       ARG 144 -19.551  -5.450  -6.306
 1140   1HH1  ARG 144          1HH1      ARG 144 -17.904  -2.514  -5.411
 1141   2HH1  ARG 144          2HH1      ARG 144 -19.234  -1.487  -5.832
 1142   1HH2  ARG 144          1HH2      ARG 144 -21.304  -4.108  -6.865
 1143   2HH2  ARG 144          2HH2      ARG 144 -21.167  -2.394  -6.660
 1144    H    GLN 145           H        GLN 145 -15.714  -8.227  -2.595
 1145    HA   GLN 145           HA       GLN 145 -18.269  -7.941  -1.457
 1146   1HB   GLN 145          2HB       GLN 145 -17.305 -10.132  -1.757
 1147   2HB   GLN 145          1HB       GLN 145 -15.949  -9.733  -0.715
 1148   1HG   GLN 145          2HG       GLN 145 -18.750  -9.684   0.333
 1149   2HG   GLN 145          1HG       GLN 145 -17.857 -11.197   0.202
 1150   1HE2  GLN 145          1HE2      GLN 145 -15.436  -9.218   0.711
 1151   2HE2  GLN 145          2HE2      GLN 145 -15.384  -9.166   2.435
 1152    H    ILE 146           H        ILE 146 -15.071  -7.060  -0.357
 1153    HA   ILE 146           HA       ILE 146 -15.782  -6.532   2.344
 1154    HB   ILE 146           HB       ILE 146 -13.458  -5.445   0.746
 1155   1HG1  ILE 146          2HG1      ILE 146 -13.599  -7.787   2.661
 1156   2HG1  ILE 146          1HG1      ILE 146 -13.528  -7.922   0.908
 1157   1HG2  ILE 146          1HG2      ILE 146 -12.511  -5.298   3.163
 1158   2HG2  ILE 146          2HG2      ILE 146 -14.209  -5.292   3.636
 1159   3HG2  ILE 146          3HG2      ILE 146 -13.585  -4.032   2.572
 1160   1HD1  ILE 146          1HD1      ILE 146 -11.373  -6.296   1.926
 1161   2HD1  ILE 146          2HD1      ILE 146 -11.322  -7.735   0.910
 1162   3HD1  ILE 146          3HD1      ILE 146 -11.392  -7.898   2.664
 1163    H    LEU 147           H        LEU 147 -15.130  -4.320  -0.418
 1164    HA   LEU 147           HA       LEU 147 -15.903  -1.983   0.924
 1165   1HB   LEU 147          2HB       LEU 147 -15.788  -2.730  -1.976
 1166   2HB   LEU 147          1HB       LEU 147 -16.437  -1.177  -1.487
 1167    HG   LEU 147           HG       LEU 147 -13.643  -2.181  -0.937
 1168   1HD1  LEU 147          1HD1      LEU 147 -12.893  -0.706  -2.576
 1169   2HD1  LEU 147          2HD1      LEU 147 -14.416   0.185  -2.607
 1170   3HD1  LEU 147          3HD1      LEU 147 -14.327  -1.436  -3.299
 1171   1HD2  LEU 147          1HD2      LEU 147 -14.435  -0.794   0.892
 1172   2HD2  LEU 147          2HD2      LEU 147 -14.962   0.444  -0.249
 1173   3HD2  LEU 147          3HD2      LEU 147 -13.245   0.086  -0.069
 1174    H    HIS 148           H        HIS 148 -17.798  -4.594  -0.097
 1175    HA   HIS 148           HA       HIS 148 -20.227  -3.123  -0.557
 1176   1HB   HIS 148          2HB       HIS 148 -19.836  -5.298  -1.640
 1177   2HB   HIS 148          1HB       HIS 148 -19.796  -6.079  -0.062
 1178    HD1  HIS 148           1HD      HIS 148 -22.193  -5.500   1.354
 1179    HD2  HIS 148           2HD      HIS 148 -22.251  -5.570  -2.800
 1180    HE1  HIS 148           1HE      HIS 148 -24.603  -5.831   0.722
 1181    HE2  HIS 148           2HE      HIS 148 -24.615  -5.879  -1.798
 1182    H    THR 149           H        THR 149 -18.666  -4.723   2.125
 1183    HA   THR 149           HA       THR 149 -20.982  -4.381   3.856
 1184    HB   THR 149           HB       THR 149 -18.234  -5.520   4.414
 1185    HG1  THR 149           1HG      THR 149 -19.061  -7.156   3.412
 1186   1HG2  THR 149          1HG2      THR 149 -20.588  -5.110   6.158
 1187   2HG2  THR 149          2HG2      THR 149 -18.868  -5.124   6.548
 1188   3HG2  THR 149          3HG2      THR 149 -19.726  -6.643   6.294
 1189    H    ARG 150           H        ARG 150 -17.709  -3.125   3.448
 1190    HA   ARG 150           HA       ARG 150 -17.950  -1.341   5.709
 1191   1HB   ARG 150          2HB       ARG 150 -15.810  -1.533   3.582
 1192   2HB   ARG 150          1HB       ARG 150 -15.713  -0.554   5.036
 1193   1HG   ARG 150          2HG       ARG 150 -15.931  -3.556   4.996
 1194   2HG   ARG 150          1HG       ARG 150 -14.432  -2.652   5.177
 1195   1HD   ARG 150          2HD       ARG 150 -15.138  -3.317   7.353
 1196   2HD   ARG 150          1HD       ARG 150 -15.416  -1.582   7.211
 1197    HE   ARG 150           HE       ARG 150 -17.767  -2.932   6.495
 1198   1HH1  ARG 150          1HH1      ARG 150 -15.793  -2.334   9.304
 1199   2HH1  ARG 150          2HH1      ARG 150 -17.117  -2.447  10.416
 1200   1HH2  ARG 150          1HH2      ARG 150 -19.514  -3.079   7.951
 1201   2HH2  ARG 150          2HH2      ARG 150 -19.229  -2.869   9.645
 1202    H    ALA 151           H        ALA 151 -17.540  -0.945   2.189
 1203    HA   ALA 151           HA       ALA 151 -18.194   0.691   0.751
 1204   1HB   ALA 151          1HB       ALA 151 -20.132   1.136   2.990
 1205   2HB   ALA 151          2HB       ALA 151 -20.425   0.516   1.365
 1206   3HB   ALA 151          3HB       ALA 151 -20.087   2.229   1.608
 1207    H    PHE 152           H        PHE 152 -15.859   1.217   1.745
 1208    HA   PHE 152           HA       PHE 152 -15.907   3.927   2.845
 1209   1HB   PHE 152          2HB       PHE 152 -13.788   1.782   2.819
 1210   2HB   PHE 152          1HB       PHE 152 -13.421   3.451   3.232
 1211    HD1  PHE 152           1HD      PHE 152 -12.722   3.041   5.460
 1212    HD2  PHE 152           2HD      PHE 152 -16.569   1.766   4.162
 1213    HE1  PHE 152           1HE      PHE 152 -13.366   2.616   7.796
 1214    HE2  PHE 152           2HE      PHE 152 -17.220   1.341   6.496
 1215    HZ   PHE 152           HZ       PHE 152 -15.619   1.765   8.316
 1216    H    ASP 153           H        ASP 153 -16.625   4.244   0.406
 1217    HA   ASP 153           HA       ASP 153 -14.477   4.350  -1.502
 1218   1HB   ASP 153          2HB       ASP 153 -17.230   5.613  -1.573
 1219   2HB   ASP 153          1HB       ASP 153 -16.112   5.541  -2.929
 1220    H    LYS 154           H        LYS 154 -14.371   5.743   1.117
 1221    HA   LYS 154           HA       LYS 154 -14.497   8.518   0.904
 1222   1HB   LYS 154          2HB       LYS 154 -12.747   6.724   2.596
 1223   2HB   LYS 154          1HB       LYS 154 -12.978   8.448   2.879
 1224   1HG   LYS 154          2HG       LYS 154 -15.368   8.051   3.260
 1225   2HG   LYS 154          1HG       LYS 154 -15.111   6.326   2.999
 1226   1HD   LYS 154          2HD       LYS 154 -13.832   7.988   5.169
 1227   2HD   LYS 154          1HD       LYS 154 -15.187   6.879   5.387
 1228   1HE   LYS 154          2HE       LYS 154 -13.768   5.008   4.690
 1229   2HE   LYS 154          1HE       LYS 154 -12.418   6.116   4.456
 1230   1HZ   LYS 154          1HZ       LYS 154 -12.854   6.706   6.915
 1231   2HZ   LYS 154          2HZ       LYS 154 -12.027   5.278   6.546
 1232   3HZ   LYS 154          3HZ       LYS 154 -13.663   5.221   6.966
 1233    H    LEU 155           H        LEU 155 -11.765   8.942   1.967
 1234    HA   LEU 155           HA       LEU 155  -9.831   9.858   1.235
 1235   1HB   LEU 155          2HB       LEU 155  -9.676   7.523  -0.652
 1236   2HB   LEU 155          1HB       LEU 155  -8.358   8.385   0.116
 1237    HG   LEU 155           HG       LEU 155  -8.449   6.345   1.262
 1238   1HD1  LEU 155          1HD1      LEU 155 -10.223   7.662   3.193
 1239   2HD1  LEU 155          2HD1      LEU 155  -8.853   8.623   2.639
 1240   3HD1  LEU 155          3HD1      LEU 155  -8.581   7.048   3.384
 1241   1HD2  LEU 155          1HD2      LEU 155 -10.671   5.702   0.293
 1242   2HD2  LEU 155          2HD2      LEU 155 -11.422   6.597   1.613
 1243   3HD2  LEU 155          3HD2      LEU 155 -10.402   5.203   1.962
 1244    H    ASN 156           H        ASN 156 -10.923  11.658   0.228
 1245    HA   ASN 156           HA       ASN 156 -11.662  11.686  -2.502
 1246   1HB   ASN 156          2HB       ASN 156 -11.598  14.138  -2.288
 1247   2HB   ASN 156          1HB       ASN 156 -12.431  13.404  -0.924
 1248   1HD2  ASN 156          1HD2      ASN 156 -10.315  15.725  -1.747
 1249   2HD2  ASN 156          2HD2      ASN 156  -9.434  15.874  -0.270
 1250    H    LYS 157           H        LYS 157 -10.474  13.313  -4.036
 1251    HA   LYS 157           HA       LYS 157  -7.753  12.309  -4.259
 1252   1HB   LYS 157          2HB       LYS 157  -9.481  13.889  -6.162
 1253   2HB   LYS 157          1HB       LYS 157  -7.816  13.441  -6.506
 1254   1HG   LYS 157          2HG       LYS 157  -8.412  11.080  -6.329
 1255   2HG   LYS 157          1HG       LYS 157 -10.082  11.527  -5.987
 1256   1HD   LYS 157          2HD       LYS 157  -8.579  12.194  -8.515
 1257   2HD   LYS 157          1HD       LYS 157  -9.749  10.888  -8.341
 1258   1HE   LYS 157          2HE       LYS 157 -11.489  12.521  -7.796
 1259   2HE   LYS 157          1HE       LYS 157 -10.317  13.828  -7.972
 1260   1HZ   LYS 157          1HZ       LYS 157 -11.219  11.979 -10.113
 1261   2HZ   LYS 157          2HZ       LYS 157 -10.025  13.161 -10.300
 1262   3HZ   LYS 157          3HZ       LYS 157 -11.620  13.615  -9.968
 1263    H    TRP 158           H        TRP 158  -5.919  13.520  -4.272
 1264    HA   TRP 158           HA       TRP 158  -5.499  15.585  -2.605
 1265   1HB   TRP 158          2HB       TRP 158  -3.723  14.344  -3.792
 1266   2HB   TRP 158          1HB       TRP 158  -4.103  15.224  -5.265
 1267    HD1  TRP 158           HD       TRP 158  -2.548  17.196  -5.703
 1268    HE1  TRP 158           1HE      TRP 158  -1.077  18.748  -4.270
 1269    HE3  TRP 158           3HE      TRP 158  -3.724  15.381  -1.071
 1270    HZ2  TRP 158           2HZ      TRP 158  -0.488  19.146  -1.538
 1271    HZ3  TRP 158           3HZ      TRP 158  -2.660  16.399   0.901
 1272    HH2  TRP 158           HH       TRP 158  -1.075  18.241   0.670
  Start of MODEL    8
    1   1H    THR   1          1HT       THR   1   1.546 -13.375 -11.155
    2   2H    THR   1          2HT       THR   1   1.995 -14.671 -10.166
    3   3H    THR   1          3HT       THR   1   2.871 -13.225 -10.115
    4    HA   THR   1           HA       THR   1   0.036 -13.532  -9.309
    5    HB   THR   1           HB       THR   1   2.521 -13.166  -7.617
    6    HG1  THR   1           1HG      THR   1   1.368 -15.385  -8.626
    7   1HG2  THR   1          1HG2      THR   1   0.982 -12.350  -6.185
    8   2HG2  THR   1          2HG2      THR   1   0.697 -14.068  -5.900
    9   3HG2  THR   1          3HG2      THR   1  -0.361 -13.166  -6.987
   10    H    VAL   2           H        VAL   2  -0.729 -11.631  -8.091
   11    HA   VAL   2           HA       VAL   2   0.524  -9.151  -9.073
   12    HB   VAL   2           HB       VAL   2  -1.607  -9.487 -10.156
   13   1HG1  VAL   2          1HG1      VAL   2  -2.368 -10.686  -7.772
   14   2HG1  VAL   2          2HG1      VAL   2  -3.381 -10.405  -9.189
   15   3HG1  VAL   2          3HG1      VAL   2  -3.357  -9.231  -7.873
   16   1HG2  VAL   2          1HG2      VAL   2  -2.758  -7.435  -9.508
   17   2HG2  VAL   2          2HG2      VAL   2  -1.012  -7.198  -9.554
   18   3HG2  VAL   2          3HG2      VAL   2  -1.836  -7.385  -8.008
   19    H    ALA   3           H        ALA   3   0.711  -7.406  -7.684
   20    HA   ALA   3           HA       ALA   3   0.306  -8.025  -4.836
   21   1HB   ALA   3          1HB       ALA   3   2.646  -7.524  -5.901
   22   2HB   ALA   3          2HB       ALA   3   2.224  -6.892  -4.311
   23   3HB   ALA   3          3HB       ALA   3   2.129  -5.847  -5.729
   24    H    TYR   4           H        TYR   4  -0.162  -6.228  -3.418
   25    HA   TYR   4           HA       TYR   4  -1.641  -3.991  -4.643
   26   1HB   TYR   4          2HB       TYR   4  -2.697  -5.761  -2.437
   27   2HB   TYR   4          1HB       TYR   4  -3.506  -4.360  -3.129
   28    HD1  TYR   4           1HD      TYR   4  -2.247  -7.755  -3.962
   29    HD2  TYR   4           2HD      TYR   4  -4.855  -4.575  -5.031
   30    HE1  TYR   4           1HE      TYR   4  -3.274  -9.187  -5.675
   31    HE2  TYR   4           2HE      TYR   4  -5.879  -5.993  -6.744
   32    HH   TYR   4           HH       TYR   4  -4.985  -8.146  -8.148
   33    H    ILE   5           H        ILE   5   0.066  -2.629  -4.003
   34    HA   ILE   5           HA       ILE   5   0.588  -2.415  -1.120
   35    HB   ILE   5           HB       ILE   5   2.124  -1.009  -3.294
   36   1HG1  ILE   5          2HG1      ILE   5   2.660  -3.765  -2.154
   37   2HG1  ILE   5          1HG1      ILE   5   2.083  -3.430  -3.784
   38   1HG2  ILE   5          1HG2      ILE   5   3.816  -1.723  -1.225
   39   2HG2  ILE   5          2HG2      ILE   5   2.320  -1.268  -0.410
   40   3HG2  ILE   5          3HG2      ILE   5   3.112  -0.129  -1.497
   41   1HD1  ILE   5          1HD1      ILE   5   4.785  -3.068  -2.610
   42   2HD1  ILE   5          2HD1      ILE   5   4.270  -1.971  -3.894
   43   3HD1  ILE   5          3HD1      ILE   5   4.306  -3.712  -4.182
   44    H    ALA   6           H        ALA   6   0.937  -0.197  -0.267
   45    HA   ALA   6           HA       ALA   6  -0.633   1.883  -1.601
   46   1HB   ALA   6          1HB       ALA   6  -1.070   1.632   1.314
   47   2HB   ALA   6          2HB       ALA   6  -1.848   0.426   0.290
   48   3HB   ALA   6          3HB       ALA   6  -2.176   2.140   0.040
   49    H    ILE   7           H        ILE   7   0.942   3.356  -1.909
   50    HA   ILE   7           HA       ILE   7   2.805   3.931   0.291
   51    HB   ILE   7           HB       ILE   7   2.962   4.754  -2.614
   52   1HG1  ILE   7          2HG1      ILE   7   4.955   3.166  -2.586
   53   2HG1  ILE   7          1HG1      ILE   7   4.336   2.565  -1.052
   54   1HG2  ILE   7          1HG2      ILE   7   4.029   6.299  -0.950
   55   2HG2  ILE   7          2HG2      ILE   7   5.121   5.624  -2.158
   56   3HG2  ILE   7          3HG2      ILE   7   5.109   4.975  -0.519
   57   1HD1  ILE   7          1HD1      ILE   7   2.727   1.366  -2.037
   58   2HD1  ILE   7          2HD1      ILE   7   3.737   1.527  -3.474
   59   3HD1  ILE   7          3HD1      ILE   7   2.376   2.619  -3.228
   60    H    GLY   8           H        GLY   8   3.220   6.101   0.966
   61   1HA   GLY   8          2HA       GLY   8   1.507   8.212  -0.082
   62   2HA   GLY   8          1HA       GLY   8   1.190   7.740   1.584
   63    H    SER   9           H        SER   9   1.999  10.340   0.989
   64    HA   SER   9           HA       SER   9   4.402  10.457   2.571
   65   1HB   SER   9          2HB       SER   9   4.471  11.517  -0.258
   66   2HB   SER   9          1HB       SER   9   5.735  11.722   0.956
   67    HG   SER   9           HG       SER   9   6.417   9.787   0.530
   68    H    ASN  10           H        ASN  10   4.971  12.583   3.269
   69    HA   ASN  10           HA       ASN  10   3.212  14.791   2.639
   70   1HB   ASN  10          2HB       ASN  10   3.271  13.583   5.408
   71   2HB   ASN  10          1HB       ASN  10   2.580  15.154   5.020
   72   1HD2  ASN  10          1HD2      ASN  10   1.743  12.177   5.756
   73   2HD2  ASN  10          2HD2      ASN  10   0.279  12.005   4.843
   74    H    LEU  11           H        LEU  11   5.596  13.622   4.998
   75    HA   LEU  11           HA       LEU  11   6.706  16.264   5.331
   76   1HB   LEU  11          2HB       LEU  11   7.548  13.592   6.449
   77   2HB   LEU  11          1HB       LEU  11   8.297  15.118   6.868
   78    HG   LEU  11           HG       LEU  11   6.792  14.515   8.629
   79   1HD1  LEU  11          1HD1      LEU  11   4.921  16.412   7.974
   80   2HD1  LEU  11          2HD1      LEU  11   6.306  16.859   6.979
   81   3HD1  LEU  11          3HD1      LEU  11   6.487  16.716   8.727
   82   1HD2  LEU  11          1HD2      LEU  11   4.652  13.748   8.402
   83   2HD2  LEU  11          2HD2      LEU  11   5.371  13.107   6.924
   84   3HD2  LEU  11          3HD2      LEU  11   4.398  14.577   6.866
   85    H    ALA  12           H        ALA  12   7.034  16.002   2.805
   86    HA   ALA  12           HA       ALA  12   9.732  16.289   2.280
   87   1HB   ALA  12          1HB       ALA  12   8.814  13.494   2.127
   88   2HB   ALA  12          2HB       ALA  12  10.438  14.146   2.351
   89   3HB   ALA  12          3HB       ALA  12   9.733  14.067   0.736
   90    H    SER  13           H        SER  13   7.617  14.319   0.275
   91    HA   SER  13           HA       SER  13   6.576  16.520  -1.235
   92   1HB   SER  13          2HB       SER  13   8.637  14.716  -2.534
   93   2HB   SER  13          1HB       SER  13   7.632  15.887  -3.388
   94    HG   SER  13           HG       SER  13   9.953  16.303  -2.197
   95    HA   PRO  14           HA       PRO  14   3.829  12.794  -0.705
   96   1HB   PRO  14          2HB       PRO  14   2.125  15.003  -1.789
   97   2HB   PRO  14          1HB       PRO  14   1.741  13.766  -0.588
   98   1HG   PRO  14          2HG       PRO  14   2.374  16.245   0.166
   99   2HG   PRO  14          1HG       PRO  14   2.917  14.838   1.096
  100   1HD   PRO  14          2HD       PRO  14   4.468  16.652  -0.653
  101   2HD   PRO  14          1HD       PRO  14   5.012  15.660   0.714
  102    H    LEU  15           H        LEU  15   4.456  14.882  -3.460
  103    HA   LEU  15           HA       LEU  15   3.083  13.118  -5.298
  104   1HB   LEU  15          2HB       LEU  15   3.028  15.532  -5.649
  105   2HB   LEU  15          1HB       LEU  15   4.776  15.567  -5.785
  106    HG   LEU  15           HG       LEU  15   4.611  14.162  -7.826
  107   1HD1  LEU  15          1HD1      LEU  15   2.679  12.967  -7.839
  108   2HD1  LEU  15          2HD1      LEU  15   2.156  14.340  -8.815
  109   3HD1  LEU  15          3HD1      LEU  15   1.739  14.264  -7.104
  110   1HD2  LEU  15          1HD2      LEU  15   4.053  16.888  -7.507
  111   2HD2  LEU  15          2HD2      LEU  15   2.901  16.294  -8.702
  112   3HD2  LEU  15          3HD2      LEU  15   4.633  16.070  -8.959
  113    H    GLU  16           H        GLU  16   6.427  14.341  -5.115
  114    HA   GLU  16           HA       GLU  16   7.453  12.427  -6.918
  115   1HB   GLU  16          2HB       GLU  16   8.722  14.324  -4.973
  116   2HB   GLU  16          1HB       GLU  16   9.669  13.300  -6.046
  117   1HG   GLU  16          2HG       GLU  16   7.610  15.300  -6.949
  118   2HG   GLU  16          1HG       GLU  16   9.345  15.605  -6.883
  119    H    GLN  17           H        GLN  17   6.896  12.279  -3.501
  120    HA   GLN  17           HA       GLN  17   8.870  10.239  -3.031
  121   1HB   GLN  17          2HB       GLN  17   6.577  11.175  -1.302
  122   2HB   GLN  17          1HB       GLN  17   7.854  10.081  -0.788
  123   1HG   GLN  17          2HG       GLN  17   8.203  12.945  -1.644
  124   2HG   GLN  17          1HG       GLN  17   8.266  12.331   0.007
  125   1HE2  GLN  17          1HE2      GLN  17  10.214  12.014   0.778
  126   2HE2  GLN  17          2HE2      GLN  17  11.636  11.679  -0.142
  127    H    VAL  18           H        VAL  18   5.568  10.325  -4.039
  128    HA   VAL  18           HA       VAL  18   5.153   7.500  -3.447
  129    HB   VAL  18           HB       VAL  18   3.327   9.525  -4.756
  130   1HG1  VAL  18          1HG1      VAL  18   1.636   7.923  -4.839
  131   2HG1  VAL  18          2HG1      VAL  18   2.480   6.836  -3.737
  132   3HG1  VAL  18          3HG1      VAL  18   3.063   7.044  -5.389
  133   1HG2  VAL  18          1HG2      VAL  18   3.954   8.945  -2.020
  134   2HG2  VAL  18          2HG2      VAL  18   2.265   8.557  -2.343
  135   3HG2  VAL  18          3HG2      VAL  18   2.878  10.175  -2.681
  136    H    ASN  19           H        ASN  19   5.889   9.595  -6.144
  137    HA   ASN  19           HA       ASN  19   5.256   7.806  -8.216
  138   1HB   ASN  19          2HB       ASN  19   7.258  10.059  -8.072
  139   2HB   ASN  19          1HB       ASN  19   6.959   9.140  -9.544
  140   1HD2  ASN  19          1HD2      ASN  19   6.319  11.962  -8.231
  141   2HD2  ASN  19          2HD2      ASN  19   4.731  12.266  -8.833
  142    H    ALA  20           H        ALA  20   8.442   8.494  -6.747
  143    HA   ALA  20           HA       ALA  20   9.817   6.444  -8.090
  144   1HB   ALA  20          1HB       ALA  20  10.440   8.455  -6.224
  145   2HB   ALA  20          2HB       ALA  20  11.552   7.440  -7.142
  146   3HB   ALA  20          3HB       ALA  20  11.013   6.933  -5.541
  147    H    ALA  21           H        ALA  21   8.058   6.417  -5.031
  148    HA   ALA  21           HA       ALA  21   8.967   4.020  -3.959
  149   1HB   ALA  21          1HB       ALA  21   6.882   3.944  -2.717
  150   2HB   ALA  21          2HB       ALA  21   6.172   5.135  -3.808
  151   3HB   ALA  21          3HB       ALA  21   7.519   5.589  -2.764
  152    H    LEU  22           H        LEU  22   6.065   4.464  -5.993
  153    HA   LEU  22           HA       LEU  22   5.852   1.606  -6.326
  154   1HB   LEU  22          2HB       LEU  22   3.832   2.169  -7.671
  155   2HB   LEU  22          1HB       LEU  22   3.806   2.758  -6.027
  156    HG   LEU  22           HG       LEU  22   4.550   5.007  -6.969
  157   1HD1  LEU  22          1HD1      LEU  22   3.374   4.813  -9.496
  158   2HD1  LEU  22          2HD1      LEU  22   4.505   3.464  -9.390
  159   3HD1  LEU  22          3HD1      LEU  22   5.071   5.113  -9.121
  160   1HD2  LEU  22          1HD2      LEU  22   2.019   3.801  -6.698
  161   2HD2  LEU  22          2HD2      LEU  22   1.966   4.788  -8.158
  162   3HD2  LEU  22          3HD2      LEU  22   2.423   5.516  -6.618
  163    H    LYS  23           H        LYS  23   7.031   4.310  -8.201
  164    HA   LYS  23           HA       LYS  23   6.996   3.005 -10.731
  165   1HB   LYS  23          2HB       LYS  23   7.152   5.423 -10.592
  166   2HB   LYS  23          1HB       LYS  23   8.694   5.304  -9.756
  167   1HG   LYS  23          2HG       LYS  23   9.024   5.906 -12.077
  168   2HG   LYS  23          1HG       LYS  23   9.700   4.311 -11.750
  169   1HD   LYS  23          2HD       LYS  23   7.699   3.270 -12.711
  170   2HD   LYS  23          1HD       LYS  23   7.030   4.870 -13.043
  171   1HE   LYS  23          2HE       LYS  23   8.888   5.352 -14.540
  172   2HE   LYS  23          1HE       LYS  23   9.606   3.784 -14.177
  173   1HZ   LYS  23          1HZ       LYS  23   7.394   2.857 -15.030
  174   2HZ   LYS  23          2HZ       LYS  23   8.500   3.440 -16.166
  175   3HZ   LYS  23          3HZ       LYS  23   7.168   4.382 -15.725
  176    H    ALA  24           H        ALA  24   9.362   3.154  -8.144
  177    HA   ALA  24           HA       ALA  24  11.613   2.209  -9.452
  178   1HB   ALA  24          1HB       ALA  24  12.478   1.622  -7.316
  179   2HB   ALA  24          2HB       ALA  24  10.858   1.494  -6.630
  180   3HB   ALA  24          3HB       ALA  24  11.491   3.069  -7.109
  181    H    LEU  25           H        LEU  25   8.694   0.559  -8.868
  182    HA   LEU  25           HA       LEU  25   9.661  -2.090  -8.598
  183   1HB   LEU  25          2HB       LEU  25   7.028  -1.120  -9.713
  184   2HB   LEU  25          1HB       LEU  25   7.381  -2.765  -9.216
  185    HG   LEU  25           HG       LEU  25   7.358  -0.363  -7.385
  186   1HD1  LEU  25          1HD1      LEU  25   5.124  -0.961  -8.188
  187   2HD1  LEU  25          2HD1      LEU  25   5.319  -1.315  -6.471
  188   3HD1  LEU  25          3HD1      LEU  25   5.379  -2.623  -7.653
  189   1HD2  LEU  25          1HD2      LEU  25   7.485  -2.063  -5.598
  190   2HD2  LEU  25          2HD2      LEU  25   8.924  -2.027  -6.616
  191   3HD2  LEU  25          3HD2      LEU  25   7.727  -3.303  -6.828
  192    H    GLY  26           H        GLY  26   9.418   0.011 -11.303
  193   1HA   GLY  26          2HA       GLY  26   9.160  -1.883 -13.379
  194   2HA   GLY  26          1HA       GLY  26   9.842  -0.273 -13.542
  195    H    ASP  27           H        ASP  27  11.777  -1.206 -11.295
  196    HA   ASP  27           HA       ASP  27  13.639  -2.591 -13.111
  197   1HB   ASP  27          2HB       ASP  27  14.262  -0.254 -12.450
  198   2HB   ASP  27          1HB       ASP  27  14.337  -0.795 -10.777
  199    H    ILE  28           H        ILE  28  11.901  -2.766 -10.209
  200    HA   ILE  28           HA       ILE  28  13.467  -4.295  -8.521
  201    HB   ILE  28           HB       ILE  28  10.500  -4.195  -8.978
  202   1HG1  ILE  28          2HG1      ILE  28  11.529  -2.275  -7.878
  203   2HG1  ILE  28          1HG1      ILE  28  10.531  -3.159  -6.728
  204   1HG2  ILE  28          1HG2      ILE  28  11.644  -6.469  -8.025
  205   2HG2  ILE  28          2HG2      ILE  28  10.016  -5.914  -7.635
  206   3HG2  ILE  28          3HG2      ILE  28  11.353  -5.566  -6.539
  207   1HD1  ILE  28          1HD1      ILE  28  12.919  -4.324  -6.294
  208   2HD1  ILE  28          2HD1      ILE  28  12.321  -2.922  -5.405
  209   3HD1  ILE  28          3HD1      ILE  28  13.428  -2.700  -6.760
  210    HA   PRO  29           HA       PRO  29  13.972  -8.170 -10.627
  211   1HB   PRO  29          2HB       PRO  29  14.364  -9.447  -8.028
  212   2HB   PRO  29          1HB       PRO  29  15.540  -9.156  -9.311
  213   1HG   PRO  29          2HG       PRO  29  15.619  -7.839  -6.953
  214   2HG   PRO  29          1HG       PRO  29  16.139  -7.095  -8.477
  215   1HD   PRO  29          2HD       PRO  29  13.541  -6.787  -7.008
  216   2HD   PRO  29          1HD       PRO  29  14.544  -5.543  -7.782
  217    H    GLU  30           H        GLU  30  12.651  -9.791 -11.242
  218    HA   GLU  30           HA       GLU  30  10.735 -11.022 -11.414
  219   1HB   GLU  30          2HB       GLU  30  10.996 -11.312  -8.419
  220   2HB   GLU  30          1HB       GLU  30  10.170 -12.404  -9.522
  221   1HG   GLU  30          2HG       GLU  30  12.401 -12.761 -10.623
  222   2HG   GLU  30          1HG       GLU  30  13.108 -11.916  -9.255
  223    H    SER  31           H        SER  31   9.771  -8.828 -11.848
  224    HA   SER  31           HA       SER  31   7.273  -8.629 -10.576
  225   1HB   SER  31          2HB       SER  31   8.580  -7.703  -8.719
  226   2HB   SER  31          1HB       SER  31   9.247  -6.481  -9.797
  227    HG   SER  31           HG       SER  31   6.978  -5.883 -10.161
  228    H    HIS  32           H        HIS  32   5.908  -7.131 -11.529
  229    HA   HIS  32           HA       HIS  32   6.917  -5.304 -13.546
  230   1HB   HIS  32          2HB       HIS  32   5.099  -7.595 -14.344
  231   2HB   HIS  32          1HB       HIS  32   5.585  -6.263 -15.381
  232    HD1  HIS  32           1HD      HIS  32   7.264  -9.082 -13.450
  233    HD2  HIS  32           2HD      HIS  32   7.734  -6.836 -16.913
  234    HE1  HIS  32           1HE      HIS  32   9.253 -10.071 -14.628
  235    HE2  HIS  32           2HE      HIS  32   9.486  -8.730 -16.747
  236    H    ILE  33           H        ILE  33   5.693  -3.505 -13.431
  237    HA   ILE  33           HA       ILE  33   3.214  -3.573 -11.962
  238    HB   ILE  33           HB       ILE  33   4.885  -1.377 -13.121
  239   1HG1  ILE  33          2HG1      ILE  33   3.721  -1.945 -10.392
  240   2HG1  ILE  33          1HG1      ILE  33   5.386  -2.224 -10.893
  241   1HG2  ILE  33          1HG2      ILE  33   2.695  -0.690 -13.801
  242   2HG2  ILE  33          2HG2      ILE  33   3.132   0.245 -12.372
  243   3HG2  ILE  33          3HG2      ILE  33   2.016  -1.112 -12.231
  244   1HD1  ILE  33          1HD1      ILE  33   4.564  -0.044  -9.571
  245   2HD1  ILE  33          2HD1      ILE  33   4.389   0.523 -11.232
  246   3HD1  ILE  33          3HD1      ILE  33   5.951  -0.063 -10.659
  247    H    LEU  34           H        LEU  34   1.198  -3.503 -12.707
  248    HA   LEU  34           HA       LEU  34   0.816  -3.625 -15.606
  249   1HB   LEU  34          2HB       LEU  34  -0.083  -5.476 -14.302
  250   2HB   LEU  34          1HB       LEU  34  -1.016  -4.363 -13.323
  251    HG   LEU  34           HG       LEU  34  -2.340  -3.744 -15.320
  252   1HD1  LEU  34          1HD1      LEU  34  -1.805  -4.362 -17.390
  253   2HD1  LEU  34          2HD1      LEU  34  -1.560  -6.041 -16.910
  254   3HD1  LEU  34          3HD1      LEU  34  -0.251  -4.873 -16.732
  255   1HD2  LEU  34          1HD2      LEU  34  -2.313  -6.723 -14.876
  256   2HD2  LEU  34          2HD2      LEU  34  -3.678  -5.717 -15.361
  257   3HD2  LEU  34          3HD2      LEU  34  -3.004  -5.566 -13.739
  258    H    THR  35           H        THR  35  -1.161  -2.359 -12.907
  259    HA   THR  35           HA       THR  35  -1.527   0.121 -14.454
  260    HB   THR  35           HB       THR  35  -3.774  -1.107 -12.876
  261    HG1  THR  35           1HG      THR  35  -4.227  -1.516 -15.417
  262   1HG2  THR  35          1HG2      THR  35  -4.552   0.945 -13.417
  263   2HG2  THR  35          2HG2      THR  35  -4.975   0.100 -14.905
  264   3HG2  THR  35          3HG2      THR  35  -3.517   1.088 -14.839
  265    H    VAL  36           H        VAL  36  -2.603   1.840 -13.004
  266    HA   VAL  36           HA       VAL  36  -1.805   1.610 -10.200
  267    HB   VAL  36           HB       VAL  36  -0.944   3.921 -11.950
  268   1HG1  VAL  36          1HG1      VAL  36  -1.548   4.402  -9.536
  269   2HG1  VAL  36          2HG1      VAL  36   0.076   4.866 -10.045
  270   3HG1  VAL  36          3HG1      VAL  36  -0.167   3.399  -9.094
  271   1HG2  VAL  36          1HG2      VAL  36   0.284   1.677 -12.182
  272   2HG2  VAL  36          2HG2      VAL  36   0.893   2.004 -10.560
  273   3HG2  VAL  36          3HG2      VAL  36   1.247   3.122 -11.877
  274    H    SER  37           H        SER  37  -2.923   2.982  -8.791
  275    HA   SER  37           HA       SER  37  -5.481   3.894  -9.786
  276   1HB   SER  37          2HB       SER  37  -6.025   4.265  -7.423
  277   2HB   SER  37          1HB       SER  37  -5.310   2.670  -7.645
  278    HG   SER  37           HG       SER  37  -3.299   4.258  -7.188
  279    H    SER  38           H        SER  38  -6.105   6.049  -8.232
  280    HA   SER  38           HA       SER  38  -4.430   8.129  -9.430
  281   1HB   SER  38          2HB       SER  38  -7.149   8.323  -8.107
  282   2HB   SER  38          1HB       SER  38  -6.300   9.649  -8.904
  283    HG   SER  38           HG       SER  38  -6.511   7.435 -10.481
  284    H    PHE  39           H        PHE  39  -4.477  10.248  -7.942
  285    HA   PHE  39           HA       PHE  39  -3.193   9.410  -5.452
  286   1HB   PHE  39          2HB       PHE  39  -3.272  12.227  -6.529
  287   2HB   PHE  39          1HB       PHE  39  -2.147  11.538  -5.376
  288    HD1  PHE  39           1HD      PHE  39  -0.061  10.912  -6.093
  289    HD2  PHE  39           2HD      PHE  39  -3.235  11.103  -8.922
  290    HE1  PHE  39           1HE      PHE  39   1.530  10.441  -7.907
  291    HE2  PHE  39           2HE      PHE  39  -1.647  10.627 -10.739
  292    HZ   PHE  39           HZ       PHE  39   0.737  10.295 -10.234
  293    H    TYR  40           H        TYR  40  -4.369   9.363  -3.669
  294    HA   TYR  40           HA       TYR  40  -6.755  11.042  -3.502
  295   1HB   TYR  40          2HB       TYR  40  -5.932   8.714  -1.756
  296   2HB   TYR  40          1HB       TYR  40  -7.475   9.558  -1.696
  297    HD1  TYR  40           1HD      TYR  40  -5.326   7.683  -4.107
  298    HD2  TYR  40           2HD      TYR  40  -9.274   8.662  -2.860
  299    HE1  TYR  40           1HE      TYR  40  -6.238   6.125  -5.777
  300    HE2  TYR  40           2HE      TYR  40 -10.194   7.105  -4.524
  301    HH   TYR  40           HH       TYR  40  -9.229   4.926  -5.741
  302    H    ARG  41           H        ARG  41  -7.194  12.346  -1.709
  303    HA   ARG  41           HA       ARG  41  -4.823  13.045  -0.095
  304   1HB   ARG  41          2HB       ARG  41  -5.654  14.828  -1.651
  305   2HB   ARG  41          1HB       ARG  41  -7.173  14.829  -0.761
  306   1HG   ARG  41          2HG       ARG  41  -5.884  15.410   1.294
  307   2HG   ARG  41          1HG       ARG  41  -4.454  15.576   0.276
  308   1HD   ARG  41          2HD       ARG  41  -5.566  17.313  -1.020
  309   2HD   ARG  41          1HD       ARG  41  -7.015  17.135  -0.035
  310    HE   ARG  41           HE       ARG  41  -4.856  17.694   1.657
  311   1HH1  ARG  41          1HH1      ARG  41  -6.751  19.232  -0.830
  312   2HH1  ARG  41          2HH1      ARG  41  -6.529  20.827  -0.195
  313   1HH2  ARG  41          1HH2      ARG  41  -4.560  19.793   2.504
  314   2HH2  ARG  41          2HH2      ARG  41  -5.283  21.147   1.701
  315    H    THR  42           H        THR  42  -5.060  12.039   1.816
  316    HA   THR  42           HA       THR  42  -7.533  12.522   3.306
  317    HB   THR  42           HB       THR  42  -7.867  10.229   3.840
  318    HG1  THR  42           1HG      THR  42  -5.356   9.964   3.709
  319   1HG2  THR  42          1HG2      THR  42  -8.721  10.681   1.646
  320   2HG2  THR  42          2HG2      THR  42  -8.000   9.070   1.662
  321   3HG2  THR  42          3HG2      THR  42  -7.130  10.419   0.931
  322    HA   PRO  43           HA       PRO  43  -4.686  12.873   6.693
  323   1HB   PRO  43          2HB       PRO  43  -6.322  12.650   8.790
  324   2HB   PRO  43          1HB       PRO  43  -6.472  14.004   7.664
  325   1HG   PRO  43          2HG       PRO  43  -8.132  11.534   7.889
  326   2HG   PRO  43          1HG       PRO  43  -8.632  13.194   7.518
  327   1HD   PRO  43          2HD       PRO  43  -8.215  11.163   5.649
  328   2HD   PRO  43          1HD       PRO  43  -8.283  12.899   5.290
  329    HA   PRO  44           HA       PRO  44  -3.643   8.541   7.378
  330   1HB   PRO  44          2HB       PRO  44  -1.458   9.601   9.000
  331   2HB   PRO  44          1HB       PRO  44  -1.390   8.600   7.552
  332   1HG   PRO  44          2HG       PRO  44  -0.677  11.217   7.582
  333   2HG   PRO  44          1HG       PRO  44  -1.327  10.400   6.153
  334   1HD   PRO  44          2HD       PRO  44  -2.647  12.308   8.012
  335   2HD   PRO  44          1HD       PRO  44  -2.904  12.062   6.273
  336    H    LEU  45           H        LEU  45  -2.474   7.598   9.618
  337    HA   LEU  45           HA       LEU  45  -4.039   8.508  11.907
  338   1HB   LEU  45          2HB       LEU  45  -4.140   5.699  10.791
  339   2HB   LEU  45          1HB       LEU  45  -4.743   6.149  12.377
  340    HG   LEU  45           HG       LEU  45  -5.789   7.243   9.762
  341   1HD1  LEU  45          1HD1      LEU  45  -7.678   5.700  11.250
  342   2HD1  LEU  45          2HD1      LEU  45  -6.231   4.735  10.960
  343   3HD1  LEU  45          3HD1      LEU  45  -7.094   5.459   9.603
  344   1HD2  LEU  45          1HD2      LEU  45  -7.715   7.709  11.577
  345   2HD2  LEU  45          2HD2      LEU  45  -6.456   8.878  11.175
  346   3HD2  LEU  45          3HD2      LEU  45  -6.290   7.859  12.605
  347    H    GLY  46           H        GLY  46  -2.640   8.742  13.515
  348   1HA   GLY  46          2HA       GLY  46  -1.237   7.409  15.091
  349   2HA   GLY  46          1HA       GLY  46  -0.372   6.857  13.667
  350    HA   PRO  47           HA       PRO  47   2.049  10.504  14.810
  351   1HB   PRO  47          2HB       PRO  47   4.345   9.277  15.093
  352   2HB   PRO  47          1HB       PRO  47   3.044   8.976  16.244
  353   1HG   PRO  47          2HG       PRO  47   4.113   7.220  14.101
  354   2HG   PRO  47          1HG       PRO  47   3.296   6.779  15.609
  355   1HD   PRO  47          2HD       PRO  47   2.171   7.073  12.958
  356   2HD   PRO  47          1HD       PRO  47   1.368   6.521  14.445
  357    H    GLN  48           H        GLN  48   3.188  11.915  13.598
  358    HA   GLN  48           HA       GLN  48   5.254  11.778  11.984
  359   1HB   GLN  48          2HB       GLN  48   4.749  11.338   9.727
  360   2HB   GLN  48          1HB       GLN  48   4.014  10.025  10.624
  361   1HG   GLN  48          2HG       GLN  48   2.548  12.439   9.579
  362   2HG   GLN  48          1HG       GLN  48   2.615  10.872   8.782
  363   1HE2  GLN  48          1HE2      GLN  48   0.797   9.849   8.995
  364   2HE2  GLN  48          2HE2      GLN  48  -0.188   9.781  10.407
  365    H    ASP  49           H        ASP  49   1.950  12.898  11.337
  366    HA   ASP  49           HA       ASP  49   2.168  15.524  12.039
  367   1HB   ASP  49          2HB       ASP  49   3.956  15.693  10.313
  368   2HB   ASP  49          1HB       ASP  49   2.792  15.185   9.093
  369    H    GLN  50           H        GLN  50   1.100  13.416   9.452
  370    HA   GLN  50           HA       GLN  50  -0.905  12.977   8.511
  371   1HB   GLN  50          2HB       GLN  50  -1.425  13.465  11.347
  372   2HB   GLN  50          1HB       GLN  50  -2.841  13.595  10.311
  373   1HG   GLN  50          2HG       GLN  50  -2.795  11.400   9.731
  374   2HG   GLN  50          1HG       GLN  50  -1.052  11.267   9.950
  375   1HE2  GLN  50          1HE2      GLN  50  -0.547   9.951  11.503
  376   2HE2  GLN  50          2HE2      GLN  50  -1.407   9.733  12.973
  377    HA   PRO  51           HA       PRO  51  -1.971  17.343   7.516
  378   1HB   PRO  51          2HB       PRO  51  -0.332  17.635   5.342
  379   2HB   PRO  51          1HB       PRO  51   0.127  18.063   6.990
  380   1HG   PRO  51          2HG       PRO  51   1.144  15.928   5.338
  381   2HG   PRO  51          1HG       PRO  51   1.696  16.440   6.936
  382   1HD   PRO  51          2HD       PRO  51  -0.062  14.213   6.180
  383   2HD   PRO  51          1HD       PRO  51   0.847  14.471   7.682
  384    H    ASP  52           H        ASP  52  -0.830  16.001   4.485
  385    HA   ASP  52           HA       ASP  52  -3.581  15.414   3.645
  386   1HB   ASP  52          2HB       ASP  52  -2.985  16.474   1.414
  387   2HB   ASP  52          1HB       ASP  52  -3.220  17.588   2.758
  388    H    TYR  53           H        TYR  53  -2.359  13.335   4.319
  389    HA   TYR  53           HA       TYR  53  -0.385  12.073   2.931
  390   1HB   TYR  53          2HB       TYR  53  -1.831  11.313   4.932
  391   2HB   TYR  53          1HB       TYR  53  -2.891  10.618   3.716
  392    HD1  TYR  53           1HD      TYR  53  -2.667   8.325   3.857
  393    HD2  TYR  53           2HD      TYR  53   0.828  10.739   3.938
  394    HE1  TYR  53           1HE      TYR  53  -1.276   6.297   3.841
  395    HE2  TYR  53           2HE      TYR  53   2.232   8.722   3.916
  396    HH   TYR  53           HH       TYR  53   1.738   6.129   4.733
  397    H    LEU  54           H        LEU  54  -0.119  11.847   0.791
  398    HA   LEU  54           HA       LEU  54  -2.474  11.381  -0.890
  399   1HB   LEU  54          2HB       LEU  54  -1.032  13.180  -1.645
  400   2HB   LEU  54          1HB       LEU  54   0.361  12.121  -1.620
  401    HG   LEU  54           HG       LEU  54  -1.954  11.480  -3.402
  402   1HD1  LEU  54          1HD1      LEU  54  -0.659  13.923  -3.525
  403   2HD1  LEU  54          2HD1      LEU  54  -1.543  13.145  -4.838
  404   3HD1  LEU  54          3HD1      LEU  54   0.202  12.933  -4.703
  405   1HD2  LEU  54          1HD2      LEU  54  -0.585   9.806  -3.920
  406   2HD2  LEU  54          2HD2      LEU  54   0.711  10.489  -2.937
  407   3HD2  LEU  54          3HD2      LEU  54   0.518  10.993  -4.616
  408    H    ASN  55           H        ASN  55  -3.000   9.327  -1.164
  409    HA   ASN  55           HA       ASN  55  -0.820   7.356  -1.408
  410   1HB   ASN  55          2HB       ASN  55  -2.071   7.126   0.701
  411   2HB   ASN  55          1HB       ASN  55  -3.563   6.926  -0.212
  412   1HD2  ASN  55          1HD2      ASN  55  -1.127   5.346   1.340
  413   2HD2  ASN  55          2HD2      ASN  55  -1.299   3.784   0.623
  414    H    ALA  56           H        ALA  56  -1.172   5.554  -2.763
  415    HA   ALA  56           HA       ALA  56  -3.462   5.426  -4.500
  416   1HB   ALA  56          1HB       ALA  56  -2.279   7.194  -5.628
  417   2HB   ALA  56          2HB       ALA  56  -2.148   5.719  -6.587
  418   3HB   ALA  56          3HB       ALA  56  -0.784   6.259  -5.608
  419    H    ALA  57           H        ALA  57  -3.825   3.265  -4.473
  420    HA   ALA  57           HA       ALA  57  -1.781   1.368  -3.946
  421   1HB   ALA  57          1HB       ALA  57  -4.640   1.376  -4.318
  422   2HB   ALA  57          2HB       ALA  57  -3.625   0.253  -3.409
  423   3HB   ALA  57          3HB       ALA  57  -3.896   0.001  -5.134
  424    H    VAL  58           H        VAL  58  -1.447  -0.572  -5.472
  425    HA   VAL  58           HA       VAL  58  -1.644  -0.067  -8.284
  426    HB   VAL  58           HB       VAL  58   0.224   1.369  -7.900
  427   1HG1  VAL  58          1HG1      VAL  58   0.846   0.052  -5.736
  428   2HG1  VAL  58          2HG1      VAL  58   2.099   0.893  -6.647
  429   3HG1  VAL  58          3HG1      VAL  58   1.902  -0.851  -6.821
  430   1HG2  VAL  58          1HG2      VAL  58   1.732  -0.942  -8.931
  431   2HG2  VAL  58          2HG2      VAL  58   1.446   0.641  -9.653
  432   3HG2  VAL  58          3HG2      VAL  58   0.200  -0.604  -9.738
  433    H    ALA  59           H        ALA  59  -1.986  -1.970  -9.198
  434    HA   ALA  59           HA       ALA  59  -1.424  -4.404  -7.792
  435   1HB   ALA  59          1HB       ALA  59  -2.231  -5.303 -10.165
  436   2HB   ALA  59          2HB       ALA  59  -2.829  -3.647 -10.287
  437   3HB   ALA  59          3HB       ALA  59  -3.354  -4.679  -8.957
  438    H    LEU  60           H        LEU  60   0.751  -4.684  -7.612
  439    HA   LEU  60           HA       LEU  60   2.514  -4.475  -9.882
  440   1HB   LEU  60          2HB       LEU  60   3.266  -3.848  -7.641
  441   2HB   LEU  60          1HB       LEU  60   2.983  -5.482  -7.076
  442    HG   LEU  60           HG       LEU  60   4.759  -6.315  -8.565
  443   1HD1  LEU  60          1HD1      LEU  60   4.350  -3.927  -9.917
  444   2HD1  LEU  60          2HD1      LEU  60   5.633  -5.099 -10.216
  445   3HD1  LEU  60          3HD1      LEU  60   5.926  -3.725  -9.151
  446   1HD2  LEU  60          1HD2      LEU  60   6.654  -5.297  -7.378
  447   2HD2  LEU  60          2HD2      LEU  60   5.326  -5.696  -6.286
  448   3HD2  LEU  60          3HD2      LEU  60   5.588  -4.025  -6.781
  449    H    GLU  61           H        GLU  61   2.331  -6.032 -11.411
  450    HA   GLU  61           HA       GLU  61   1.640  -8.739 -10.736
  451   1HB   GLU  61          2HB       GLU  61   1.181  -7.427 -12.946
  452   2HB   GLU  61          1HB       GLU  61   2.822  -7.893 -13.368
  453   1HG   GLU  61          2HG       GLU  61   0.663  -9.846 -12.616
  454   2HG   GLU  61          1HG       GLU  61   1.048  -9.383 -14.269
  455    H    THR  62           H        THR  62   3.210  -9.400  -9.317
  456    HA   THR  62           HA       THR  62   5.911  -9.712 -10.449
  457    HB   THR  62           HB       THR  62   6.100  -8.099  -8.737
  458    HG1  THR  62           1HG      THR  62   6.650 -10.353  -7.189
  459   1HG2  THR  62          1HG2      THR  62   4.737  -9.815  -6.713
  460   2HG2  THR  62          2HG2      THR  62   3.815  -8.706  -7.729
  461   3HG2  THR  62          3HG2      THR  62   5.081  -8.086  -6.667
  462    H    SER  63           H        SER  63   7.125 -11.518  -9.741
  463    HA   SER  63           HA       SER  63   5.475 -13.765  -8.784
  464   1HB   SER  63          2HB       SER  63   7.822 -13.846 -10.704
  465   2HB   SER  63          1HB       SER  63   6.952 -15.256 -10.099
  466    HG   SER  63           HG       SER  63   6.330 -14.326 -12.239
  467    H    LEU  64           H        LEU  64   7.563 -11.600  -7.797
  468    HA   LEU  64           HA       LEU  64   9.721 -13.073  -6.701
  469   1HB   LEU  64          2HB       LEU  64   9.415 -10.519  -7.030
  470   2HB   LEU  64          1HB       LEU  64   8.601 -10.566  -5.486
  471    HG   LEU  64           HG       LEU  64  11.065  -9.904  -5.496
  472   1HD1  LEU  64          1HD1      LEU  64  11.202 -11.973  -3.587
  473   2HD1  LEU  64          2HD1      LEU  64   9.518 -11.453  -3.676
  474   3HD1  LEU  64          3HD1      LEU  64  10.787 -10.278  -3.335
  475   1HD2  LEU  64          1HD2      LEU  64  11.972 -11.545  -6.972
  476   2HD2  LEU  64          2HD2      LEU  64  11.330 -12.862  -5.990
  477   3HD2  LEU  64          3HD2      LEU  64  12.626 -11.844  -5.361
  478    H    ALA  65           H        ALA  65  10.083 -13.661  -4.471
  479    HA   ALA  65           HA       ALA  65   8.067 -15.171  -3.313
  480   1HB   ALA  65          1HB       ALA  65  10.766 -14.403  -2.642
  481   2HB   ALA  65          2HB       ALA  65   9.887 -15.880  -2.245
  482   3HB   ALA  65          3HB       ALA  65   9.746 -14.463  -1.204
  483    HA   PRO  66           HA       PRO  66   5.348 -12.135  -1.593
  484   1HB   PRO  66          2HB       PRO  66   4.452 -13.778   0.507
  485   2HB   PRO  66          1HB       PRO  66   3.696 -13.542  -1.062
  486   1HG   PRO  66          2HG       PRO  66   5.317 -15.787  -0.084
  487   2HG   PRO  66          1HG       PRO  66   4.127 -15.743  -1.392
  488   1HD   PRO  66          2HD       PRO  66   6.841 -15.888  -1.775
  489   2HD   PRO  66          1HD       PRO  66   5.696 -15.240  -2.967
  490    H    GLU  67           H        GLU  67   7.838 -13.715   0.233
  491    HA   GLU  67           HA       GLU  67   7.469 -11.959   2.517
  492   1HB   GLU  67          2HB       GLU  67   9.361 -13.173   3.500
  493   2HB   GLU  67          1HB       GLU  67   8.095 -14.267   2.951
  494   1HG   GLU  67          2HG       GLU  67   9.385 -14.659   0.898
  495   2HG   GLU  67          1HG       GLU  67  10.678 -13.651   1.535
  496    H    GLU  68           H        GLU  68   9.647 -12.387  -0.197
  497    HA   GLU  68           HA       GLU  68  11.383 -10.252   0.740
  498   1HB   GLU  68          2HB       GLU  68  12.390 -12.206  -0.336
  499   2HB   GLU  68          1HB       GLU  68  11.487 -11.872  -1.808
  500   1HG   GLU  68          2HG       GLU  68  12.669  -9.747  -2.052
  501   2HG   GLU  68          1HG       GLU  68  13.576 -10.086  -0.579
  502    H    LEU  69           H        LEU  69   8.688 -10.652  -1.354
  503    HA   LEU  69           HA       LEU  69   9.018  -8.634  -3.203
  504   1HB   LEU  69          2HB       LEU  69   7.196 -10.214  -3.272
  505   2HB   LEU  69          1HB       LEU  69   6.496  -9.541  -1.831
  506    HG   LEU  69           HG       LEU  69   5.280  -8.903  -3.864
  507   1HD1  LEU  69          1HD1      LEU  69   4.974  -6.619  -3.388
  508   2HD1  LEU  69          2HD1      LEU  69   6.609  -6.459  -2.747
  509   3HD1  LEU  69          3HD1      LEU  69   5.401  -7.389  -1.859
  510   1HD2  LEU  69          1HD2      LEU  69   6.707  -6.981  -5.123
  511   2HD2  LEU  69          2HD2      LEU  69   6.560  -8.648  -5.678
  512   3HD2  LEU  69          3HD2      LEU  69   7.966  -8.153  -4.739
  513    H    LEU  70           H        LEU  70   7.206  -8.276  -0.119
  514    HA   LEU  70           HA       LEU  70   7.130  -5.462  -0.287
  515   1HB   LEU  70          2HB       LEU  70   5.614  -6.331   1.265
  516   2HB   LEU  70          1HB       LEU  70   6.813  -7.388   1.988
  517    HG   LEU  70           HG       LEU  70   7.176  -4.426   2.275
  518   1HD1  LEU  70          1HD1      LEU  70   5.575  -4.129   3.847
  519   2HD1  LEU  70          2HD1      LEU  70   5.596  -5.819   4.352
  520   3HD1  LEU  70          3HD1      LEU  70   4.751  -5.350   2.878
  521   1HD2  LEU  70          1HD2      LEU  70   8.948  -5.585   3.206
  522   2HD2  LEU  70          2HD2      LEU  70   7.927  -6.908   3.768
  523   3HD2  LEU  70          3HD2      LEU  70   7.886  -5.349   4.594
  524    H    ASN  71           H        ASN  71   9.291  -7.714   1.302
  525    HA   ASN  71           HA       ASN  71  10.986  -6.064   2.651
  526   1HB   ASN  71          2HB       ASN  71  11.195  -8.516   2.630
  527   2HB   ASN  71          1HB       ASN  71  11.824  -8.447   0.987
  528   1HD2  ASN  71          1HD2      ASN  71  12.653  -8.645   4.162
  529   2HD2  ASN  71          2HD2      ASN  71  14.285  -8.091   4.070
  530    H    HIS  72           H        HIS  72  11.011  -6.646  -0.868
  531    HA   HIS  72           HA       HIS  72  13.302  -4.914  -1.143
  532   1HB   HIS  72          2HB       HIS  72  13.277  -5.483  -3.477
  533   2HB   HIS  72          1HB       HIS  72  13.113  -6.937  -2.517
  534    HD1  HIS  72           1HD      HIS  72  10.551  -4.549  -4.024
  535    HD2  HIS  72           2HD      HIS  72  11.485  -8.588  -3.810
  536    HE1  HIS  72           1HE      HIS  72   8.770  -5.723  -5.353
  537    HE2  HIS  72           2HE      HIS  72   9.430  -8.152  -5.312
  538    H    THR  73           H        THR  73   9.832  -4.832  -1.925
  539    HA   THR  73           HA       THR  73   9.862  -2.296  -3.199
  540    HB   THR  73           HB       THR  73   7.461  -2.154  -2.537
  541    HG1  THR  73           1HG      THR  73   6.950  -4.494  -1.602
  542   1HG2  THR  73          1HG2      THR  73   7.684  -4.961  -3.403
  543   2HG2  THR  73          2HG2      THR  73   8.433  -3.741  -4.433
  544   3HG2  THR  73          3HG2      THR  73   6.715  -3.639  -4.050
  545    H    GLN  74           H        GLN  74  10.193  -3.327   0.028
  546    HA   GLN  74           HA       GLN  74   9.527  -0.824   1.259
  547   1HB   GLN  74          2HB       GLN  74   9.157  -2.252   2.938
  548   2HB   GLN  74          1HB       GLN  74   9.947  -3.553   2.065
  549   1HG   GLN  74          2HG       GLN  74  11.088  -3.398   4.072
  550   2HG   GLN  74          1HG       GLN  74  12.119  -2.591   2.894
  551   1HE2  GLN  74          1HE2      GLN  74   9.417  -0.747   3.575
  552   2HE2  GLN  74          2HE2      GLN  74  10.101   0.313   4.747
  553    H    ARG  75           H        ARG  75  12.306  -2.444   0.000
  554    HA   ARG  75           HA       ARG  75  14.304  -0.952   1.337
  555   1HB   ARG  75          2HB       ARG  75  14.929  -2.972   0.213
  556   2HB   ARG  75          1HB       ARG  75  14.314  -2.390  -1.323
  557   1HG   ARG  75          2HG       ARG  75  16.063  -0.704  -1.392
  558   2HG   ARG  75          1HG       ARG  75  16.668  -1.254   0.173
  559   1HD   ARG  75          2HD       ARG  75  17.156  -3.449  -0.783
  560   2HD   ARG  75          1HD       ARG  75  16.533  -2.914  -2.343
  561    HE   ARG  75           HE       ARG  75  18.554  -1.150  -1.540
  562   1HH1  ARG  75          1HH1      ARG  75  18.172  -4.464  -2.560
  563   2HH1  ARG  75          2HH1      ARG  75  19.761  -4.571  -3.240
  564   1HH2  ARG  75          1HH2      ARG  75  20.645  -1.287  -2.437
  565   2HH2  ARG  75          2HH2      ARG  75  21.165  -2.767  -3.170
  566    H    ILE  76           H        ILE  76  12.340  -0.419  -1.521
  567    HA   ILE  76           HA       ILE  76  13.691   1.756  -2.633
  568    HB   ILE  76           HB       ILE  76  10.709   1.270  -2.540
  569   1HG1  ILE  76          2HG1      ILE  76  11.879  -0.599  -3.558
  570   2HG1  ILE  76          1HG1      ILE  76  11.055   0.323  -4.811
  571   1HG2  ILE  76          1HG2      ILE  76  11.079   3.548  -3.109
  572   2HG2  ILE  76          2HG2      ILE  76  10.700   2.687  -4.602
  573   3HG2  ILE  76          3HG2      ILE  76  12.369   3.121  -4.234
  574   1HD1  ILE  76          1HD1      ILE  76  13.906   0.932  -4.222
  575   2HD1  ILE  76          2HD1      ILE  76  13.012   1.064  -5.735
  576   3HD1  ILE  76          3HD1      ILE  76  13.507  -0.520  -5.139
  577    H    GLU  77           H        GLU  77  11.430   1.537   0.047
  578    HA   GLU  77           HA       GLU  77  10.969   4.282   0.455
  579   1HB   GLU  77          2HB       GLU  77   9.692   2.457   1.541
  580   2HB   GLU  77          1HB       GLU  77  11.090   2.080   2.529
  581   1HG   GLU  77          2HG       GLU  77  10.943   4.455   3.380
  582   2HG   GLU  77          1HG       GLU  77   9.377   4.538   2.585
  583    H    LEU  78           H        LEU  78  13.251   2.063   2.045
  584    HA   LEU  78           HA       LEU  78  14.634   3.961   3.554
  585   1HB   LEU  78          2HB       LEU  78  15.787   1.462   2.301
  586   2HB   LEU  78          1HB       LEU  78  16.425   2.321   3.689
  587    HG   LEU  78           HG       LEU  78  13.798   0.832   3.595
  588   1HD1  LEU  78          1HD1      LEU  78  15.146  -0.929   3.891
  589   2HD1  LEU  78          2HD1      LEU  78  15.328  -0.312   5.534
  590   3HD1  LEU  78          3HD1      LEU  78  16.535   0.076   4.307
  591   1HD2  LEU  78          1HD2      LEU  78  15.129   2.470   5.735
  592   2HD2  LEU  78          2HD2      LEU  78  13.936   1.225   6.107
  593   3HD2  LEU  78          3HD2      LEU  78  13.487   2.605   5.107
  594    H    GLN  79           H        GLN  79  15.121   2.791   0.261
  595    HA   GLN  79           HA       GLN  79  17.475   4.233  -0.305
  596   1HB   GLN  79          2HB       GLN  79  15.292   3.242  -2.142
  597   2HB   GLN  79          1HB       GLN  79  16.828   3.893  -2.694
  598   1HG   GLN  79          2HG       GLN  79  17.996   2.100  -1.503
  599   2HG   GLN  79          1HG       GLN  79  16.443   1.434  -1.006
  600   1HE2  GLN  79          1HE2      GLN  79  15.885   2.664  -3.967
  601   2HE2  GLN  79          2HE2      GLN  79  16.200   1.275  -4.939
  602    H    GLN  80           H        GLN  80  14.088   5.124  -0.337
  603    HA   GLN  80           HA       GLN  80  14.450   7.542  -1.824
  604   1HB   GLN  80          2HB       GLN  80  12.269   6.383  -1.689
  605   2HB   GLN  80          1HB       GLN  80  12.203   6.724   0.034
  606   1HG   GLN  80          2HG       GLN  80  10.802   8.267  -1.162
  607   2HG   GLN  80          1HG       GLN  80  12.171   9.130  -0.462
  608   1HE2  GLN  80          1HE2      GLN  80  10.316   8.838  -3.147
  609   2HE2  GLN  80          2HE2      GLN  80  11.411   9.459  -4.330
  610    H    GLY  81           H        GLY  81  15.077   6.538   1.346
  611   1HA   GLY  81          2HA       GLY  81  16.280   7.728   2.936
  612   2HA   GLY  81          1HA       GLY  81  15.911   9.214   2.071
  613    H    ARG  82           H        ARG  82  13.741   6.681   3.400
  614    HA   ARG  82           HA       ARG  82  11.844   8.509   4.302
  615   1HB   ARG  82          2HB       ARG  82  10.771   6.748   5.331
  616   2HB   ARG  82          1HB       ARG  82  11.767   5.887   4.170
  617   1HG   ARG  82          2HG       ARG  82  13.381   5.361   5.901
  618   2HG   ARG  82          1HG       ARG  82  12.454   6.303   7.071
  619   1HD   ARG  82          2HD       ARG  82  10.533   4.802   6.724
  620   2HD   ARG  82          1HD       ARG  82  11.511   3.836   5.619
  621    HE   ARG  82           HE       ARG  82  12.366   2.787   7.442
  622   1HH1  ARG  82          1HH1      ARG  82  11.330   5.969   8.429
  623   2HH1  ARG  82          2HH1      ARG  82  11.763   5.731  10.089
  624   1HH2  ARG  82          1HH2      ARG  82  12.932   2.469   9.623
  625   2HH2  ARG  82          2HH2      ARG  82  12.672   3.743  10.767
  626    H    VAL  83           H        VAL  83  11.347   9.149   6.523
  627    HA   VAL  83           HA       VAL  83  13.841   9.739   7.937
  628    HB   VAL  83           HB       VAL  83  11.220  11.188   8.219
  629   1HG1  VAL  83          1HG1      VAL  83  12.509  12.921   9.231
  630   2HG1  VAL  83          2HG1      VAL  83  14.023  12.108   8.830
  631   3HG1  VAL  83          3HG1      VAL  83  12.939  11.409  10.032
  632   1HG2  VAL  83          1HG2      VAL  83  12.842  11.050   5.945
  633   2HG2  VAL  83          2HG2      VAL  83  13.257  12.583   6.719
  634   3HG2  VAL  83          3HG2      VAL  83  11.581  12.240   6.286
  635    H    ARG  84           H        ARG  84  14.005   9.595  10.149
  636    HA   ARG  84           HA       ARG  84  12.867   7.319  11.306
  637   1HB   ARG  84          2HB       ARG  84  14.505   9.564  12.462
  638   2HB   ARG  84          1HB       ARG  84  13.973   8.196  13.426
  639   1HG   ARG  84          2HG       ARG  84  16.204   7.768  12.745
  640   2HG   ARG  84          1HG       ARG  84  15.157   6.698  11.812
  641   1HD   ARG  84          2HD       ARG  84  15.974   9.346  10.693
  642   2HD   ARG  84          1HD       ARG  84  17.089   7.982  10.634
  643    HE   ARG  84           HE       ARG  84  14.864   8.402   8.954
  644   1HH1  ARG  84          1HH1      ARG  84  16.551   5.874  10.665
  645   2HH1  ARG  84          2HH1      ARG  84  16.052   4.625   9.575
  646   1HH2  ARG  84          1HH2      ARG  84  14.207   6.762   7.515
  647   2HH2  ARG  84          2HH2      ARG  84  14.721   5.131   7.784
  648    H    LYS  85           H        LYS  85  12.856   9.509  13.810
  649    HA   LYS  85           HA       LYS  85  11.246  10.364  15.168
  650   1HB   LYS  85          2HB       LYS  85  10.614  11.703  13.176
  651   2HB   LYS  85          1HB       LYS  85   9.531  10.413  12.674
  652   1HG   LYS  85          2HG       LYS  85   8.283  12.185  13.735
  653   2HG   LYS  85          1HG       LYS  85   8.222  10.725  14.725
  654   1HD   LYS  85          2HD       LYS  85   8.576  12.677  16.128
  655   2HD   LYS  85          1HD       LYS  85  10.004  11.642  16.156
  656   1HE   LYS  85          2HE       LYS  85  10.618  14.000  15.976
  657   2HE   LYS  85          1HE       LYS  85  11.104  13.099  14.539
  658   1HZ   LYS  85          1HZ       LYS  85  10.151  15.060  13.741
  659   2HZ   LYS  85          2HZ       LYS  85   8.863  15.006  14.833
  660   3HZ   LYS  85          3HZ       LYS  85   8.929  13.906  13.550
  661    H    ALA  86           H        ALA  86   9.236   9.697  16.296
  662    HA   ALA  86           HA       ALA  86   9.065   6.920  16.539
  663   1HB   ALA  86          1HB       ALA  86   8.097   7.700  18.397
  664   2HB   ALA  86          2HB       ALA  86   6.617   7.814  17.446
  665   3HB   ALA  86          3HB       ALA  86   7.659   9.224  17.628
  666    H    GLU  87           H        GLU  87   8.472   5.581  14.988
  667    HA   GLU  87           HA       GLU  87   6.017   6.173  13.481
  668   1HB   GLU  87          2HB       GLU  87   7.922   6.488  12.007
  669   2HB   GLU  87          1HB       GLU  87   8.555   4.904  12.436
  670   1HG   GLU  87          2HG       GLU  87   6.593   3.854  11.411
  671   2HG   GLU  87          1HG       GLU  87   5.984   5.449  10.963
  672    H    ARG  88           H        ARG  88   4.787   4.878  14.930
  673    HA   ARG  88           HA       ARG  88   5.514   2.036  15.019
  674   1HB   ARG  88          2HB       ARG  88   3.390   3.544  16.559
  675   2HB   ARG  88          1HB       ARG  88   3.819   1.854  16.789
  676   1HG   ARG  88          2HG       ARG  88   6.034   2.487  17.540
  677   2HG   ARG  88          1HG       ARG  88   5.670   4.187  17.234
  678   1HD   ARG  88          2HD       ARG  88   5.451   3.643  19.607
  679   2HD   ARG  88          1HD       ARG  88   3.906   4.127  18.911
  680    HE   ARG  88           HE       ARG  88   3.103   2.108  19.565
  681   1HH1  ARG  88          1HH1      ARG  88   6.534   1.768  19.029
  682   2HH1  ARG  88          2HH1      ARG  88   6.564   0.096  19.480
  683   1HH2  ARG  88          1HH2      ARG  88   3.143  -0.087  20.164
  684   2HH2  ARG  88          2HH2      ARG  88   4.640  -0.957  20.125
  685    H    TRP  89           H        TRP  89   2.559   3.987  14.615
  686    HA   TRP  89           HA       TRP  89   1.683   2.041  12.598
  687   1HB   TRP  89          2HB       TRP  89  -0.674   2.525  13.355
  688   2HB   TRP  89          1HB       TRP  89   0.314   1.601  14.476
  689    HD1  TRP  89           HD       TRP  89   1.573   3.384  16.416
  690    HE1  TRP  89           1HE      TRP  89   0.331   5.145  17.822
  691    HE3  TRP  89           3HE      TRP  89  -2.595   3.954  13.510
  692    HZ2  TRP  89           2HZ      TRP  89  -2.098   6.577  17.720
  693    HZ3  TRP  89           3HZ      TRP  89  -4.334   5.536  14.239
  694    HH2  TRP  89           HH       TRP  89  -4.089   6.821  16.301
  695    H    GLY  90           H        GLY  90   3.128   4.463  12.101
  696   1HA   GLY  90          2HA       GLY  90   1.051   5.922  10.590
  697   2HA   GLY  90          1HA       GLY  90   2.314   6.776  11.458
  698    HA   PRO  91           HA       PRO  91   3.671   5.885   7.031
  699   1HB   PRO  91          2HB       PRO  91   3.448   8.742   6.506
  700   2HB   PRO  91          1HB       PRO  91   2.633   7.403   5.696
  701   1HG   PRO  91          2HG       PRO  91   1.318   9.185   7.251
  702   2HG   PRO  91          1HG       PRO  91   0.811   7.492   7.098
  703   1HD   PRO  91          2HD       PRO  91   2.435   8.790   9.268
  704   2HD   PRO  91          1HD       PRO  91   1.052   7.683   9.419
  705    H    ARG  92           H        ARG  92   4.344   9.174   8.172
  706    HA   ARG  92           HA       ARG  92   6.257  10.278   8.708
  707   1HB   ARG  92          2HB       ARG  92   6.645   8.072  10.067
  708   2HB   ARG  92          1HB       ARG  92   7.815   7.712   8.807
  709   1HG   ARG  92          2HG       ARG  92   7.875   9.899  10.853
  710   2HG   ARG  92          1HG       ARG  92   9.087   8.685  10.481
  711   1HD   ARG  92          2HD       ARG  92   9.641   9.778   8.429
  712   2HD   ARG  92          1HD       ARG  92   8.297  10.902   8.609
  713    HE   ARG  92           HE       ARG  92  10.875  11.148   9.773
  714   1HH1  ARG  92          1HH1      ARG  92   7.501  11.797  10.346
  715   2HH1  ARG  92          2HH1      ARG  92   7.806  13.120  11.419
  716   1HH2  ARG  92          1HH2      ARG  92  11.287  12.895  11.179
  717   2HH2  ARG  92          2HH2      ARG  92   9.958  13.744  11.892
  718    H    THR  93           H        THR  93   6.059  10.975   6.478
  719    HA   THR  93           HA       THR  93   7.126  11.680   4.598
  720    HB   THR  93           HB       THR  93   9.252   9.617   5.205
  721    HG1  THR  93           1HG      THR  93   9.493  12.379   5.658
  722   1HG2  THR  93          1HG2      THR  93   9.802  12.100   3.690
  723   2HG2  THR  93          2HG2      THR  93   9.003  10.773   2.848
  724   3HG2  THR  93          3HG2      THR  93  10.578  10.518   3.601
  725    H    LEU  94           H        LEU  94   7.096   8.190   5.145
  726    HA   LEU  94           HA       LEU  94   5.306   7.666   3.061
  727   1HB   LEU  94          2HB       LEU  94   6.666   6.599   1.396
  728   2HB   LEU  94          1HB       LEU  94   7.225   8.244   1.612
  729    HG   LEU  94           HG       LEU  94   8.572   5.824   2.810
  730   1HD1  LEU  94          1HD1      LEU  94  10.239   6.960   0.913
  731   2HD1  LEU  94          2HD1      LEU  94   8.654   6.944   0.141
  732   3HD1  LEU  94          3HD1      LEU  94   9.350   5.446   0.760
  733   1HD2  LEU  94          1HD2      LEU  94  10.464   7.654   2.813
  734   2HD2  LEU  94          2HD2      LEU  94   9.300   7.543   4.132
  735   3HD2  LEU  94          3HD2      LEU  94   9.087   8.754   2.868
  736    H    ASP  95           H        ASP  95   5.001   5.339   2.719
  737    HA   ASP  95           HA       ASP  95   6.307   3.452   4.396
  738   1HB   ASP  95          2HB       ASP  95   5.025   4.584   6.138
  739   2HB   ASP  95          1HB       ASP  95   3.541   4.365   5.214
  740    H    LEU  96           H        LEU  96   6.430   2.233   2.548
  741    HA   LEU  96           HA       LEU  96   3.952   1.468   1.220
  742   1HB   LEU  96          2HB       LEU  96   5.275   0.656  -0.561
  743   2HB   LEU  96          1HB       LEU  96   6.055   2.129  -0.042
  744    HG   LEU  96           HG       LEU  96   7.787   0.624  -0.506
  745   1HD1  LEU  96          1HD1      LEU  96   7.663   0.164   2.424
  746   2HD1  LEU  96          2HD1      LEU  96   7.714   1.822   1.821
  747   3HD1  LEU  96          3HD1      LEU  96   9.006   0.693   1.411
  748   1HD2  LEU  96          1HD2      LEU  96   5.910  -1.358   0.345
  749   2HD2  LEU  96          2HD2      LEU  96   7.449  -1.589   1.177
  750   3HD2  LEU  96          3HD2      LEU  96   7.396  -1.548  -0.585
  751    H    ASP  97           H        ASP  97   2.924  -0.398   1.653
  752    HA   ASP  97           HA       ASP  97   4.414  -2.613   2.823
  753   1HB   ASP  97          2HB       ASP  97   2.560  -2.844   4.581
  754   2HB   ASP  97          1HB       ASP  97   3.768  -1.593   4.839
  755    H    ILE  98           H        ILE  98   3.581  -4.609   2.447
  756    HA   ILE  98           HA       ILE  98   1.709  -4.847   0.313
  757    HB   ILE  98           HB       ILE  98   3.343  -6.760   1.922
  758   1HG1  ILE  98          2HG1      ILE  98   4.267  -5.800  -0.099
  759   2HG1  ILE  98          1HG1      ILE  98   3.979  -7.517  -0.338
  760   1HG2  ILE  98          1HG2      ILE  98   0.856  -7.515   0.405
  761   2HG2  ILE  98          2HG2      ILE  98   1.336  -7.979   2.039
  762   3HG2  ILE  98          3HG2      ILE  98   2.189  -8.646   0.646
  763   1HD1  ILE  98          1HD1      ILE  98   2.489  -5.196  -1.485
  764   2HD1  ILE  98          2HD1      ILE  98   1.773  -6.807  -1.416
  765   3HD1  ILE  98          3HD1      ILE  98   3.265  -6.540  -2.317
  766    H    MET  99           H        MET  99  -0.398  -4.842   0.452
  767    HA   MET  99           HA       MET  99  -1.683  -5.553   3.010
  768   1HB   MET  99          2HB       MET  99  -2.788  -3.793   0.814
  769   2HB   MET  99          1HB       MET  99  -3.521  -4.093   2.383
  770   1HG   MET  99          2HG       MET  99  -0.991  -2.582   1.804
  771   2HG   MET  99          1HG       MET  99  -2.509  -1.946   2.436
  772   1HE   MET  99          1HE       MET  99  -3.600  -3.540   4.233
  773   2HE   MET  99          2HE       MET  99  -3.056  -2.551   5.589
  774   3HE   MET  99          3HE       MET  99  -2.723  -4.284   5.570
  775    H    LEU 100           H        LEU 100  -1.294  -6.395  -0.230
  776    HA   LEU 100           HA       LEU 100  -2.989  -8.678   0.032
  777   1HB   LEU 100          2HB       LEU 100  -4.005  -6.294  -1.303
  778   2HB   LEU 100          1HB       LEU 100  -3.994  -7.684  -2.373
  779    HG   LEU 100           HG       LEU 100  -5.357  -7.546   0.322
  780   1HD1  LEU 100          1HD1      LEU 100  -6.976  -8.042  -2.041
  781   2HD1  LEU 100          2HD1      LEU 100  -6.188  -6.463  -2.059
  782   3HD1  LEU 100          3HD1      LEU 100  -7.228  -6.915  -0.708
  783   1HD2  LEU 100          1HD2      LEU 100  -4.749  -9.785   0.061
  784   2HD2  LEU 100          2HD2      LEU 100  -5.031  -9.752  -1.680
  785   3HD2  LEU 100          3HD2      LEU 100  -6.397  -9.711  -0.564
  786    H    PHE 101           H        PHE 101  -2.159 -10.305  -1.120
  787    HA   PHE 101           HA       PHE 101  -0.671  -9.783  -3.555
  788   1HB   PHE 101          2HB       PHE 101   0.968  -9.505  -1.669
  789   2HB   PHE 101          1HB       PHE 101   0.670 -11.182  -1.234
  790    HD1  PHE 101           1HD      PHE 101   2.768 -12.148  -1.607
  791    HD2  PHE 101           2HD      PHE 101   0.964  -9.781  -4.648
  792    HE1  PHE 101           1HE      PHE 101   4.508 -12.869  -3.190
  793    HE2  PHE 101           2HE      PHE 101   2.706 -10.495  -6.235
  794    HZ   PHE 101           HZ       PHE 101   4.482 -12.039  -5.504
  795    H    GLY 102           H        GLY 102  -2.029 -11.048  -4.720
  796   1HA   GLY 102          2HA       GLY 102  -3.002 -12.955  -5.542
  797   2HA   GLY 102          1HA       GLY 102  -1.607 -13.788  -4.873
  798    H    ASN 103           H        ASN 103  -1.902 -15.133  -3.211
  799    HA   ASN 103           HA       ASN 103  -4.331 -14.911  -1.585
  800   1HB   ASN 103          2HB       ASN 103  -4.804 -17.296  -1.819
  801   2HB   ASN 103          1HB       ASN 103  -4.841 -16.506  -3.396
  802   1HD2  ASN 103          1HD2      ASN 103  -3.300 -18.830  -1.404
  803   2HD2  ASN 103          2HD2      ASN 103  -2.190 -19.432  -2.579
  804    H    GLU 104           H        GLU 104  -1.004 -15.555  -1.851
  805    HA   GLU 104           HA       GLU 104  -0.543 -17.361   0.199
  806   1HB   GLU 104          2HB       GLU 104   1.636 -15.943   0.503
  807   2HB   GLU 104          1HB       GLU 104   1.381 -16.946  -0.907
  808   1HG   GLU 104          2HG       GLU 104   0.503 -14.116  -1.027
  809   2HG   GLU 104          1HG       GLU 104   2.230 -14.458  -1.094
  810    H    VAL 105           H        VAL 105   0.236 -17.076   2.313
  811    HA   VAL 105           HA       VAL 105  -0.417 -14.604   3.695
  812    HB   VAL 105           HB       VAL 105  -1.725 -17.252   4.294
  813   1HG1  VAL 105          1HG1      VAL 105  -2.016 -16.672   6.432
  814   2HG1  VAL 105          2HG1      VAL 105  -2.609 -15.075   5.975
  815   3HG1  VAL 105          3HG1      VAL 105  -0.879 -15.351   6.167
  816   1HG2  VAL 105          1HG2      VAL 105  -3.809 -16.078   3.972
  817   2HG2  VAL 105          2HG2      VAL 105  -2.788 -15.856   2.552
  818   3HG2  VAL 105          3HG2      VAL 105  -2.952 -14.555   3.730
  819    H    ILE 106           H        ILE 106   1.866 -14.553   4.010
  820    HA   ILE 106           HA       ILE 106   2.752 -16.327   6.163
  821    HB   ILE 106           HB       ILE 106   5.093 -16.052   4.992
  822   1HG1  ILE 106          2HG1      ILE 106   4.795 -16.343   2.497
  823   2HG1  ILE 106          1HG1      ILE 106   3.133 -15.804   2.710
  824   1HG2  ILE 106          1HG2      ILE 106   4.764 -18.243   5.133
  825   2HG2  ILE 106          2HG2      ILE 106   4.053 -18.163   3.522
  826   3HG2  ILE 106          3HG2      ILE 106   3.021 -18.056   4.948
  827   1HD1  ILE 106          1HD1      ILE 106   3.778 -13.644   3.247
  828   2HD1  ILE 106          2HD1      ILE 106   4.901 -14.106   1.970
  829   3HD1  ILE 106          3HD1      ILE 106   5.423 -14.130   3.654
  830    H    ASN 107           H        ASN 107   4.013 -15.404   7.712
  831    HA   ASN 107           HA       ASN 107   4.560 -12.520   7.437
  832   1HB   ASN 107          2HB       ASN 107   3.723 -14.041   9.921
  833   2HB   ASN 107          1HB       ASN 107   4.190 -12.348   9.892
  834   1HD2  ASN 107          1HD2      ASN 107   2.624 -12.731   7.067
  835   2HD2  ASN 107          2HD2      ASN 107   1.019 -12.344   7.556
  836    H    THR 108           H        THR 108   6.695 -12.346   7.142
  837    HA   THR 108           HA       THR 108   8.481 -14.164   8.570
  838    HB   THR 108           HB       THR 108  10.258 -13.141   7.133
  839    HG1  THR 108           1HG      THR 108   8.114 -11.923   5.752
  840   1HG2  THR 108          1HG2      THR 108   9.549 -14.118   5.023
  841   2HG2  THR 108          2HG2      THR 108   7.895 -14.231   5.625
  842   3HG2  THR 108          3HG2      THR 108   9.175 -15.178   6.382
  843    H    GLU 109           H        GLU 109   9.970 -11.216   7.801
  844    HA   GLU 109           HA       GLU 109   9.971 -10.477  10.647
  845   1HB   GLU 109          2HB       GLU 109  11.974  -9.807   8.481
  846   2HB   GLU 109          1HB       GLU 109  12.097  -9.326  10.167
  847   1HG   GLU 109          2HG       GLU 109  12.068 -12.170   9.187
  848   2HG   GLU 109          1HG       GLU 109  13.517 -11.254   9.592
  849    H    ARG 110           H        ARG 110  10.636  -8.693   7.651
  850    HA   ARG 110           HA       ARG 110   9.107  -6.434   8.684
  851   1HB   ARG 110          2HB       ARG 110  10.962  -6.738   6.323
  852   2HB   ARG 110          1HB       ARG 110  10.056  -5.271   6.654
  853   1HG   ARG 110          2HG       ARG 110  12.046  -6.527   8.535
  854   2HG   ARG 110          1HG       ARG 110  12.389  -5.177   7.452
  855   1HD   ARG 110          2HD       ARG 110  10.745  -3.808   8.581
  856   2HD   ARG 110          1HD       ARG 110  10.278  -5.164   9.607
  857    HE   ARG 110           HE       ARG 110  12.409  -3.380  10.065
  858   1HH1  ARG 110          1HH1      ARG 110  11.628  -6.771  10.273
  859   2HH1  ARG 110          2HH1      ARG 110  12.762  -7.085  11.544
  860   1HH2  ARG 110          1HH2      ARG 110  13.899  -3.786  11.741
  861   2HH2  ARG 110          2HH2      ARG 110  14.051  -5.389  12.379
  862    H    LEU 111           H        LEU 111   8.819  -9.014   6.460
  863    HA   LEU 111           HA       LEU 111   6.893  -7.747   4.752
  864   1HB   LEU 111          2HB       LEU 111   8.247  -9.486   3.800
  865   2HB   LEU 111          1HB       LEU 111   7.773 -10.611   5.049
  866    HG   LEU 111           HG       LEU 111   6.741 -10.927   2.749
  867   1HD1  LEU 111          1HD1      LEU 111   5.863 -11.712   5.094
  868   2HD1  LEU 111          2HD1      LEU 111   4.905 -11.942   3.631
  869   3HD1  LEU 111          3HD1      LEU 111   4.548 -10.599   4.717
  870   1HD2  LEU 111          1HD2      LEU 111   5.857  -9.111   1.823
  871   2HD2  LEU 111          2HD2      LEU 111   5.776  -8.258   3.364
  872   3HD2  LEU 111          3HD2      LEU 111   4.491  -9.373   2.904
  873    H    THR 112           H        THR 112   4.755  -7.846   4.786
  874    HA   THR 112           HA       THR 112   3.389  -9.529   6.729
  875    HB   THR 112           HB       THR 112   1.859  -7.430   7.070
  876    HG1  THR 112           1HG      THR 112   2.882  -6.019   5.705
  877   1HG2  THR 112          1HG2      THR 112   3.916  -8.521   8.602
  878   2HG2  THR 112          2HG2      THR 112   2.609  -7.466   9.142
  879   3HG2  THR 112          3HG2      THR 112   4.156  -6.773   8.646
  880    H    VAL 113           H        VAL 113   1.730 -10.534   5.780
  881    HA   VAL 113           HA       VAL 113   0.950  -9.742   3.101
  882    HB   VAL 113           HB       VAL 113   1.178 -12.185   4.374
  883   1HG1  VAL 113          1HG1      VAL 113  -0.813 -13.144   4.899
  884   2HG1  VAL 113          2HG1      VAL 113  -1.736 -12.083   3.835
  885   3HG1  VAL 113          3HG1      VAL 113  -1.146 -11.481   5.384
  886   1HG2  VAL 113          1HG2      VAL 113   1.314 -12.617   2.208
  887   2HG2  VAL 113          2HG2      VAL 113   0.341 -11.204   1.792
  888   3HG2  VAL 113          3HG2      VAL 113  -0.447 -12.729   2.200
  889    HA   PRO 114           HA       PRO 114  -3.074  -7.701   3.512
  890   1HB   PRO 114          2HB       PRO 114  -4.221 -10.347   4.354
  891   2HB   PRO 114          1HB       PRO 114  -4.955  -9.076   3.369
  892   1HG   PRO 114          2HG       PRO 114  -3.620 -11.289   2.353
  893   2HG   PRO 114          1HG       PRO 114  -3.906  -9.781   1.471
  894   1HD   PRO 114          2HD       PRO 114  -1.397 -10.846   2.262
  895   2HD   PRO 114          1HD       PRO 114  -1.695  -9.236   1.580
  896    H    HIS 115           H        HIS 115  -2.125  -6.592   5.233
  897    HA   HIS 115           HA       HIS 115  -2.094  -7.523   7.909
  898   1HB   HIS 115          2HB       HIS 115  -0.565  -5.800   6.945
  899   2HB   HIS 115          1HB       HIS 115  -1.927  -4.694   6.843
  900    HD1  HIS 115           1HD      HIS 115  -3.176  -4.785   9.532
  901    HD2  HIS 115           2HD      HIS 115   0.943  -4.962   8.997
  902    HE1  HIS 115           1HE      HIS 115  -2.183  -4.000  11.704
  903    HE2  HIS 115           2HE      HIS 115   0.309  -4.207  11.390
  904    H    TYR 116           H        TYR 116  -3.781  -7.697   9.227
  905    HA   TYR 116           HA       TYR 116  -6.377  -6.926   8.646
  906   1HB   TYR 116          2HB       TYR 116  -6.543  -6.954  11.308
  907   2HB   TYR 116          1HB       TYR 116  -6.373  -8.431  10.371
  908    HD1  TYR 116           1HD      TYR 116  -3.728  -5.940  11.273
  909    HD2  TYR 116           2HD      TYR 116  -5.254  -9.877  11.804
  910    HE1  TYR 116           1HE      TYR 116  -1.726  -6.536  12.563
  911    HE2  TYR 116           2HE      TYR 116  -3.252 -10.484  13.093
  912    HH   TYR 116           HH       TYR 116  -0.960  -9.766  13.384
  913    H    ASP 117           H        ASP 117  -6.469  -4.852   7.862
  914    HA   ASP 117           HA       ASP 117  -6.916  -2.758   9.708
  915   1HB   ASP 117          2HB       ASP 117  -4.327  -3.024   9.623
  916   2HB   ASP 117          1HB       ASP 117  -4.464  -2.317   8.022
  917    H    MET 118           H        MET 118  -5.663  -3.366   6.465
  918    HA   MET 118           HA       MET 118  -6.816  -1.207   5.136
  919   1HB   MET 118          2HB       MET 118  -6.406  -2.548   3.090
  920   2HB   MET 118          1HB       MET 118  -5.021  -2.493   4.171
  921   1HG   MET 118          2HG       MET 118  -5.093  -4.704   3.500
  922   2HG   MET 118          1HG       MET 118  -5.883  -4.729   5.076
  923   1HE   MET 118          1HE       MET 118  -5.928  -6.998   3.562
  924   2HE   MET 118          2HE       MET 118  -7.337  -7.427   2.591
  925   3HE   MET 118          3HE       MET 118  -7.479  -7.303   4.345
  926    H    LYS 119           H        LYS 119  -8.163  -4.267   6.050
  927    HA   LYS 119           HA       LYS 119 -10.479  -3.972   4.330
  928   1HB   LYS 119          2HB       LYS 119 -11.167  -6.126   5.562
  929   2HB   LYS 119          1HB       LYS 119  -9.783  -6.189   4.477
  930   1HG   LYS 119          2HG       LYS 119  -8.290  -5.914   6.425
  931   2HG   LYS 119          1HG       LYS 119  -9.705  -5.994   7.479
  932   1HD   LYS 119          2HD       LYS 119  -8.847  -8.161   5.559
  933   2HD   LYS 119          1HD       LYS 119  -8.530  -8.162   7.294
  934   1HE   LYS 119          2HE       LYS 119 -11.253  -8.148   5.992
  935   2HE   LYS 119          1HE       LYS 119 -10.469  -9.546   6.727
  936   1HZ   LYS 119          1HZ       LYS 119 -11.771  -8.832   8.440
  937   2HZ   LYS 119          2HZ       LYS 119 -11.668  -7.199   8.012
  938   3HZ   LYS 119          3HZ       LYS 119 -10.363  -7.957   8.780
  939    H    ASN 120           H        ASN 120  -9.712  -2.337   6.875
  940    HA   ASN 120           HA       ASN 120 -12.426  -2.380   8.020
  941   1HB   ASN 120          2HB       ASN 120  -9.844  -1.700   9.453
  942   2HB   ASN 120          1HB       ASN 120 -11.454  -1.686  10.166
  943   1HD2  ASN 120          1HD2      ASN 120  -8.751  -3.331  10.179
  944   2HD2  ASN 120          2HD2      ASN 120  -9.323  -4.946  10.398
  945    H    ARG 121           H        ARG 121 -10.680  -0.842   5.920
  946    HA   ARG 121           HA       ARG 121 -11.818   1.778   6.508
  947   1HB   ARG 121          2HB       ARG 121  -8.906   1.484   5.755
  948   2HB   ARG 121          1HB       ARG 121  -9.746   2.950   6.235
  949   1HG   ARG 121          2HG       ARG 121  -9.677   0.731   8.188
  950   2HG   ARG 121          1HG       ARG 121  -8.165   1.580   7.879
  951   1HD   ARG 121          2HD       ARG 121  -9.327   2.571   9.767
  952   2HD   ARG 121          1HD       ARG 121  -9.270   3.708   8.424
  953    HE   ARG 121           HE       ARG 121 -11.620   2.442   9.552
  954   1HH1  ARG 121          1HH1      ARG 121 -10.273   4.292   6.921
  955   2HH1  ARG 121          2HH1      ARG 121 -11.812   4.848   6.357
  956   1HH2  ARG 121          1HH2      ARG 121 -13.647   3.173   8.813
  957   2HH2  ARG 121          2HH2      ARG 121 -13.728   4.212   7.432
  958    H    GLY 122           H        GLY 122 -12.084   3.080   4.617
  959   1HA   GLY 122          2HA       GLY 122 -11.980   1.544   2.116
  960   2HA   GLY 122          1HA       GLY 122 -12.888   3.028   2.367
  961    H    PHE 123           H        PHE 123  -9.695   2.836   3.578
  962    HA   PHE 123           HA       PHE 123  -8.813   4.824   1.637
  963   1HB   PHE 123          2HB       PHE 123  -8.498   5.362   3.991
  964   2HB   PHE 123          1HB       PHE 123  -7.595   3.872   4.241
  965    HD1  PHE 123           1HD      PHE 123  -5.444   4.485   4.805
  966    HD2  PHE 123           2HD      PHE 123  -7.371   6.430   1.547
  967    HE1  PHE 123           1HE      PHE 123  -3.353   5.667   4.276
  968    HE2  PHE 123           2HE      PHE 123  -5.284   7.614   1.013
  969    HZ   PHE 123           HZ       PHE 123  -3.266   7.236   2.407
  970    H    MET 124           H        MET 124  -8.035   1.621   2.843
  971    HA   MET 124           HA       MET 124  -5.781   1.370   1.026
  972   1HB   MET 124          2HB       MET 124  -6.952  -0.595   3.009
  973   2HB   MET 124          1HB       MET 124  -5.491  -0.855   2.068
  974   1HG   MET 124          2HG       MET 124  -4.855  -0.201   4.260
  975   2HG   MET 124          1HG       MET 124  -4.493   1.133   3.172
  976   1HE   MET 124          1HE       MET 124  -4.346   2.891   5.379
  977   2HE   MET 124          2HE       MET 124  -4.482   1.346   6.217
  978   3HE   MET 124          3HE       MET 124  -5.514   2.698   6.684
  979    H    LEU 125           H        LEU 125  -9.065   0.231   1.397
  980    HA   LEU 125           HA       LEU 125  -8.890  -1.707  -0.727
  981   1HB   LEU 125          2HB       LEU 125 -11.330  -0.631   0.666
  982   2HB   LEU 125          1HB       LEU 125 -11.231  -2.091  -0.298
  983    HG   LEU 125           HG       LEU 125  -9.783  -1.649   2.311
  984   1HD1  LEU 125          1HD1      LEU 125 -11.902  -3.672   2.095
  985   2HD1  LEU 125          2HD1      LEU 125 -12.443  -1.995   2.056
  986   3HD1  LEU 125          3HD1      LEU 125 -11.496  -2.583   3.421
  987   1HD2  LEU 125          1HD2      LEU 125 -10.016  -4.016   0.469
  988   2HD2  LEU 125          2HD2      LEU 125  -9.502  -4.147   2.151
  989   3HD2  LEU 125          3HD2      LEU 125  -8.550  -3.198   1.009
  990    H    TRP 126           H        TRP 126 -10.548   1.451  -0.347
  991    HA   TRP 126           HA       TRP 126 -11.882   1.547  -2.749
  992   1HB   TRP 126          2HB       TRP 126 -12.258   3.231  -1.128
  993   2HB   TRP 126          1HB       TRP 126 -10.578   3.733  -1.146
  994    HD1  TRP 126           HD       TRP 126 -11.181   6.205  -1.624
  995    HE1  TRP 126           1HE      TRP 126 -11.969   7.467  -3.726
  996    HE3  TRP 126           3HE      TRP 126 -12.582   2.213  -4.508
  997    HZ2  TRP 126           2HZ      TRP 126 -13.036   6.857  -6.260
  998    HZ3  TRP 126           3HZ      TRP 126 -13.478   2.646  -6.757
  999    HH2  TRP 126           HH       TRP 126 -13.699   4.920  -7.614
 1000    HA   PRO 127           HA       PRO 127  -8.002   3.509  -4.999
 1001   1HB   PRO 127          2HB       PRO 127  -5.823   2.569  -3.215
 1002   2HB   PRO 127          1HB       PRO 127  -5.994   4.106  -4.071
 1003   1HG   PRO 127          2HG       PRO 127  -6.360   3.986  -1.444
 1004   2HG   PRO 127          1HG       PRO 127  -7.409   4.996  -2.460
 1005   1HD   PRO 127          2HD       PRO 127  -7.957   2.297  -1.266
 1006   2HD   PRO 127          1HD       PRO 127  -9.031   3.715  -1.377
 1007    H    LEU 128           H        LEU 128  -7.159   0.625  -3.076
 1008    HA   LEU 128           HA       LEU 128  -5.813  -0.831  -5.048
 1009   1HB   LEU 128          2HB       LEU 128  -6.488  -1.220  -2.422
 1010   2HB   LEU 128          1HB       LEU 128  -7.509  -2.383  -3.233
 1011    HG   LEU 128           HG       LEU 128  -5.381  -3.210  -4.368
 1012   1HD1  LEU 128          1HD1      LEU 128  -4.312  -1.404  -2.235
 1013   2HD1  LEU 128          2HD1      LEU 128  -3.741  -1.650  -3.886
 1014   3HD1  LEU 128          3HD1      LEU 128  -3.438  -2.876  -2.656
 1015   1HD2  LEU 128          1HD2      LEU 128  -6.433  -3.654  -1.656
 1016   2HD2  LEU 128          2HD2      LEU 128  -4.815  -4.290  -1.953
 1017   3HD2  LEU 128          3HD2      LEU 128  -6.162  -4.795  -2.972
 1018    H    PHE 129           H        PHE 129  -9.166  -0.396  -4.386
 1019    HA   PHE 129           HA       PHE 129 -10.363  -2.506  -5.766
 1020   1HB   PHE 129          2HB       PHE 129 -11.591  -0.966  -4.301
 1021   2HB   PHE 129          1HB       PHE 129 -11.322   0.358  -5.424
 1022    HD1  PHE 129           1HD      PHE 129 -12.944   0.862  -6.987
 1023    HD2  PHE 129           2HD      PHE 129 -12.863  -3.023  -5.252
 1024    HE1  PHE 129           1HE      PHE 129 -15.051   0.308  -8.130
 1025    HE2  PHE 129           2HE      PHE 129 -14.968  -3.583  -6.393
 1026    HZ   PHE 129           HZ       PHE 129 -16.061  -1.897  -7.850
 1027    H    GLU 130           H        GLU 130  -8.488   0.034  -7.000
 1028    HA   GLU 130           HA       GLU 130  -9.704  -0.135  -9.658
 1029   1HB   GLU 130          2HB       GLU 130  -7.727   1.852  -8.533
 1030   2HB   GLU 130          1HB       GLU 130  -8.346   1.874 -10.178
 1031   1HG   GLU 130          2HG       GLU 130  -9.993   2.182  -7.677
 1032   2HG   GLU 130          1HG       GLU 130  -9.487   3.488  -8.747
 1033    H    ILE 131           H        ILE 131  -6.692  -0.701  -7.914
 1034    HA   ILE 131           HA       ILE 131  -5.130  -1.148 -10.256
 1035    HB   ILE 131           HB       ILE 131  -3.386  -1.856  -8.826
 1036   1HG1  ILE 131          2HG1      ILE 131  -5.422  -2.189  -6.597
 1037   2HG1  ILE 131          1HG1      ILE 131  -4.685  -3.517  -7.485
 1038   1HG2  ILE 131          1HG2      ILE 131  -5.129   0.321  -7.780
 1039   2HG2  ILE 131          2HG2      ILE 131  -3.550   0.418  -8.558
 1040   3HG2  ILE 131          3HG2      ILE 131  -3.678  -0.124  -6.884
 1041   1HD1  ILE 131          1HD1      ILE 131  -3.122  -1.517  -5.889
 1042   2HD1  ILE 131          2HD1      ILE 131  -2.549  -3.031  -6.590
 1043   3HD1  ILE 131          3HD1      ILE 131  -3.698  -3.057  -5.253
 1044    H    ALA 132           H        ALA 132  -7.159  -3.112  -8.253
 1045    HA   ALA 132           HA       ALA 132  -7.726  -5.041 -10.083
 1046   1HB   ALA 132          1HB       ALA 132  -5.208  -5.687  -8.611
 1047   2HB   ALA 132          2HB       ALA 132  -5.608  -5.934 -10.311
 1048   3HB   ALA 132          3HB       ALA 132  -6.306  -6.986  -9.079
 1049    HA   PRO 133           HA       PRO 133  -9.934  -5.598  -6.141
 1050   1HB   PRO 133          2HB       PRO 133 -12.293  -4.708  -6.814
 1051   2HB   PRO 133          1HB       PRO 133 -10.932  -3.562  -6.727
 1052   1HG   PRO 133          2HG       PRO 133 -12.122  -4.899  -9.153
 1053   2HG   PRO 133          1HG       PRO 133 -11.728  -3.185  -8.913
 1054   1HD   PRO 133          2HD       PRO 133 -10.064  -5.040 -10.142
 1055   2HD   PRO 133          1HD       PRO 133  -9.522  -3.513  -9.418
 1056    H    GLU 134           H        GLU 134  -9.577  -7.367  -8.725
 1057    HA   GLU 134           HA       GLU 134 -11.991  -9.020  -8.463
 1058   1HB   GLU 134          2HB       GLU 134 -11.152 -10.220 -10.434
 1059   2HB   GLU 134          1HB       GLU 134 -11.250  -8.495 -10.756
 1060   1HG   GLU 134          2HG       GLU 134  -8.847  -8.286 -10.389
 1061   2HG   GLU 134          1HG       GLU 134  -8.748 -10.016 -10.060
 1062    H    LEU 135           H        LEU 135  -9.520  -8.549  -6.748
 1063    HA   LEU 135           HA       LEU 135  -8.203 -11.077  -6.540
 1064   1HB   LEU 135          2HB       LEU 135  -7.379  -8.682  -6.010
 1065   2HB   LEU 135          1HB       LEU 135  -8.220  -8.888  -4.492
 1066    HG   LEU 135           HG       LEU 135  -5.770  -9.320  -4.442
 1067   1HD1  LEU 135          1HD1      LEU 135  -6.155 -11.683  -3.309
 1068   2HD1  LEU 135          2HD1      LEU 135  -7.843 -11.215  -3.494
 1069   3HD1  LEU 135          3HD1      LEU 135  -6.742 -10.192  -2.575
 1070   1HD2  LEU 135          1HD2      LEU 135  -5.860 -10.556  -6.687
 1071   2HD2  LEU 135          2HD2      LEU 135  -6.349 -11.954  -5.729
 1072   3HD2  LEU 135          3HD2      LEU 135  -4.794 -11.178  -5.427
 1073    H    VAL 136           H        VAL 136  -8.490 -12.643  -5.009
 1074    HA   VAL 136           HA       VAL 136 -10.672 -12.271  -3.081
 1075    HB   VAL 136           HB       VAL 136 -11.740 -13.580  -4.717
 1076   1HG1  VAL 136          1HG1      VAL 136  -9.104 -14.476  -5.313
 1077   2HG1  VAL 136          2HG1      VAL 136 -10.581 -14.698  -6.251
 1078   3HG1  VAL 136          3HG1      VAL 136 -10.122 -15.888  -5.032
 1079   1HG2  VAL 136          1HG2      VAL 136 -11.558 -14.492  -2.240
 1080   2HG2  VAL 136          2HG2      VAL 136 -10.780 -15.849  -3.056
 1081   3HG2  VAL 136          3HG2      VAL 136 -12.423 -15.379  -3.493
 1082    H    PHE 137           H        PHE 137 -10.394 -13.247  -1.096
 1083    HA   PHE 137           HA       PHE 137  -7.665 -13.954  -0.451
 1084   1HB   PHE 137          2HB       PHE 137 -10.141 -13.761   1.284
 1085   2HB   PHE 137          1HB       PHE 137  -8.513 -14.034   1.886
 1086    HD1  PHE 137           1HD      PHE 137 -10.180 -11.628  -0.446
 1087    HD2  PHE 137           2HD      PHE 137  -7.531 -12.203   2.834
 1088    HE1  PHE 137           1HE      PHE 137  -9.824  -9.200  -0.313
 1089    HE2  PHE 137           2HE      PHE 137  -7.169  -9.773   2.972
 1090    HZ   PHE 137           HZ       PHE 137  -8.317  -8.268   1.397
 1091    HA   PRO 138           HA       PRO 138  -7.716 -18.375  -0.468
 1092   1HB   PRO 138          2HB       PRO 138  -7.285 -18.199   2.488
 1093   2HB   PRO 138          1HB       PRO 138  -6.433 -19.180   1.290
 1094   1HG   PRO 138          2HG       PRO 138  -5.333 -16.958   2.256
 1095   2HG   PRO 138          1HG       PRO 138  -5.156 -17.392   0.546
 1096   1HD   PRO 138          2HD       PRO 138  -6.831 -15.283   1.800
 1097   2HD   PRO 138          1HD       PRO 138  -6.079 -15.327   0.192
 1098    H    ASP 139           H        ASP 139  -9.633 -16.552   1.753
 1099    HA   ASP 139           HA       ASP 139 -11.328 -18.687   2.627
 1100   1HB   ASP 139          2HB       ASP 139 -11.419 -15.686   2.831
 1101   2HB   ASP 139          1HB       ASP 139 -12.765 -16.675   3.379
 1102    H    GLY 140           H        GLY 140 -12.669 -15.747   1.274
 1103   1HA   GLY 140          2HA       GLY 140 -13.548 -16.764  -1.203
 1104   2HA   GLY 140          1HA       GLY 140 -14.810 -17.015  -0.005
 1105    H    GLU 141           H        GLU 141 -12.714 -14.312   0.373
 1106    HA   GLU 141           HA       GLU 141 -14.922 -12.502  -0.332
 1107   1HB   GLU 141          2HB       GLU 141 -12.563 -12.221   1.507
 1108   2HB   GLU 141          1HB       GLU 141 -13.542 -10.844   1.024
 1109   1HG   GLU 141          2HG       GLU 141 -14.231 -11.679   3.192
 1110   2HG   GLU 141          1HG       GLU 141 -15.510 -11.874   1.995
 1111    H    MET 142           H        MET 142 -14.093 -10.266  -0.975
 1112    HA   MET 142           HA       MET 142 -11.733 -10.397  -2.697
 1113   1HB   MET 142          2HB       MET 142 -14.477  -9.605  -3.671
 1114   2HB   MET 142          1HB       MET 142 -12.992  -9.406  -4.590
 1115   1HG   MET 142          2HG       MET 142 -12.669 -11.855  -4.509
 1116   2HG   MET 142          1HG       MET 142 -14.225 -12.000  -3.692
 1117   1HE   MET 142          1HE       MET 142 -15.406 -13.645  -6.030
 1118   2HE   MET 142          2HE       MET 142 -13.657 -13.672  -5.817
 1119   3HE   MET 142          3HE       MET 142 -14.345 -13.355  -7.409
 1120    H    LEU 143           H        LEU 143 -11.268  -8.139  -3.672
 1121    HA   LEU 143           HA       LEU 143 -11.099  -6.294  -1.555
 1122   1HB   LEU 143          2HB       LEU 143  -9.525  -6.533  -3.473
 1123   2HB   LEU 143          1HB       LEU 143 -10.759  -5.888  -4.532
 1124    HG   LEU 143           HG       LEU 143 -10.658  -3.743  -3.360
 1125   1HD1  LEU 143          1HD1      LEU 143 -10.030  -4.016  -1.188
 1126   2HD1  LEU 143          2HD1      LEU 143  -8.460  -3.605  -1.879
 1127   3HD1  LEU 143          3HD1      LEU 143  -8.874  -5.290  -1.567
 1128   1HD2  LEU 143          1HD2      LEU 143  -8.401  -3.118  -4.107
 1129   2HD2  LEU 143          2HD2      LEU 143  -9.260  -4.096  -5.295
 1130   3HD2  LEU 143          3HD2      LEU 143  -8.008  -4.827  -4.290
 1131    H    ARG 144           H        ARG 144 -13.447  -6.999  -3.934
 1132    HA   ARG 144           HA       ARG 144 -14.810  -4.443  -3.761
 1133   1HB   ARG 144          2HB       ARG 144 -14.707  -5.922  -5.842
 1134   2HB   ARG 144          1HB       ARG 144 -15.833  -6.991  -5.022
 1135   1HG   ARG 144          2HG       ARG 144 -16.387  -4.087  -5.590
 1136   2HG   ARG 144          1HG       ARG 144 -16.868  -5.411  -6.650
 1137   1HD   ARG 144          2HD       ARG 144 -18.215  -6.366  -4.845
 1138   2HD   ARG 144          1HD       ARG 144 -17.721  -5.054  -3.778
 1139    HE   ARG 144           HE       ARG 144 -19.394  -3.821  -4.692
 1140   1HH1  ARG 144          1HH1      ARG 144 -18.391  -6.178  -7.061
 1141   2HH1  ARG 144          2HH1      ARG 144 -19.547  -5.663  -8.244
 1142   1HH2  ARG 144          1HH2      ARG 144 -20.915  -3.144  -6.244
 1143   2HH2  ARG 144          2HH2      ARG 144 -20.979  -3.941  -7.780
 1144    H    GLN 145           H        GLN 145 -15.413  -7.813  -2.838
 1145    HA   GLN 145           HA       GLN 145 -17.864  -7.546  -1.599
 1146   1HB   GLN 145          2HB       GLN 145 -16.908  -9.714  -2.008
 1147   2HB   GLN 145          1HB       GLN 145 -15.550  -9.372  -0.948
 1148   1HG   GLN 145          2HG       GLN 145 -18.310  -9.326   0.171
 1149   2HG   GLN 145          1HG       GLN 145 -17.534 -10.873  -0.157
 1150   1HE2  GLN 145          1HE2      GLN 145 -15.103  -8.779   0.515
 1151   2HE2  GLN 145          2HE2      GLN 145 -14.927  -9.057   2.204
 1152    H    ILE 146           H        ILE 146 -14.638  -7.118  -0.154
 1153    HA   ILE 146           HA       ILE 146 -15.530  -6.618   2.463
 1154    HB   ILE 146           HB       ILE 146 -13.047  -5.487   1.159
 1155   1HG1  ILE 146          2HG1      ILE 146 -13.412  -8.077   2.686
 1156   2HG1  ILE 146          1HG1      ILE 146 -13.189  -7.950   0.945
 1157   1HG2  ILE 146          1HG2      ILE 146 -13.932  -4.603   3.427
 1158   2HG2  ILE 146          2HG2      ILE 146 -12.229  -5.046   3.286
 1159   3HG2  ILE 146          3HG2      ILE 146 -13.367  -6.149   4.061
 1160   1HD1  ILE 146          1HD1      ILE 146 -11.065  -6.555   2.182
 1161   2HD1  ILE 146          2HD1      ILE 146 -11.003  -8.041   1.235
 1162   3HD1  ILE 146          3HD1      ILE 146 -11.227  -8.118   2.983
 1163    H    LEU 147           H        LEU 147 -14.849  -4.463  -0.250
 1164    HA   LEU 147           HA       LEU 147 -15.339  -2.040   1.079
 1165   1HB   LEU 147          2HB       LEU 147 -15.331  -2.890  -1.785
 1166   2HB   LEU 147          1HB       LEU 147 -15.873  -1.280  -1.351
 1167    HG   LEU 147           HG       LEU 147 -13.166  -2.413  -0.654
 1168   1HD1  LEU 147          1HD1      LEU 147 -12.299  -0.962  -2.396
 1169   2HD1  LEU 147          2HD1      LEU 147 -13.934  -0.439  -2.801
 1170   3HD1  LEU 147          3HD1      LEU 147 -13.450  -2.113  -3.074
 1171   1HD2  LEU 147          1HD2      LEU 147 -13.279  -0.759   0.865
 1172   2HD2  LEU 147          2HD2      LEU 147 -14.633   0.029   0.056
 1173   3HD2  LEU 147          3HD2      LEU 147 -12.987   0.294  -0.519
 1174    H    HIS 148           H        HIS 148 -17.487  -4.385  -0.347
 1175    HA   HIS 148           HA       HIS 148 -19.785  -2.811  -0.643
 1176   1HB   HIS 148          2HB       HIS 148 -19.550  -5.149  -1.476
 1177   2HB   HIS 148          1HB       HIS 148 -19.640  -5.725   0.186
 1178    HD1  HIS 148           1HD      HIS 148 -22.009  -4.743   1.412
 1179    HD2  HIS 148           2HD      HIS 148 -21.937  -5.319  -2.700
 1180    HE1  HIS 148           1HE      HIS 148 -24.419  -4.912   0.715
 1181    HE2  HIS 148           2HE      HIS 148 -24.349  -5.323  -1.769
 1182    H    THR 149           H        THR 149 -18.080  -3.895   2.086
 1183    HA   THR 149           HA       THR 149 -20.285  -3.237   3.906
 1184    HB   THR 149           HB       THR 149 -17.746  -4.831   4.322
 1185    HG1  THR 149           1HG      THR 149 -19.250  -6.516   4.654
 1186   1HG2  THR 149          1HG2      THR 149 -19.931  -4.320   6.331
 1187   2HG2  THR 149          2HG2      THR 149 -18.314  -3.620   6.386
 1188   3HG2  THR 149          3HG2      THR 149 -18.526  -5.365   6.541
 1189    H    ARG 150           H        ARG 150 -17.334  -2.059   2.669
 1190    HA   ARG 150           HA       ARG 150 -16.777  -0.375   4.995
 1191   1HB   ARG 150          2HB       ARG 150 -15.311  -0.393   2.362
 1192   2HB   ARG 150          1HB       ARG 150 -14.745   0.238   3.900
 1193   1HG   ARG 150          2HG       ARG 150 -15.289  -2.660   3.351
 1194   2HG   ARG 150          1HG       ARG 150 -13.707  -1.898   3.226
 1195   1HD   ARG 150          2HD       ARG 150 -13.830  -2.959   5.361
 1196   2HD   ARG 150          1HD       ARG 150 -13.928  -1.219   5.621
 1197    HE   ARG 150           HE       ARG 150 -16.527  -2.264   5.428
 1198   1HH1  ARG 150          1HH1      ARG 150 -13.777  -2.301   7.564
 1199   2HH1  ARG 150          2HH1      ARG 150 -14.726  -2.534   8.994
 1200   1HH2  ARG 150          1HH2      ARG 150 -17.785  -2.572   7.303
 1201   2HH2  ARG 150          2HH2      ARG 150 -17.004  -2.689   8.846
 1202    H    ALA 151           H        ALA 151 -16.884   0.207   1.515
 1203    HA   ALA 151           HA       ALA 151 -18.441   1.691   0.449
 1204   1HB   ALA 151          1HB       ALA 151 -18.945   3.887   1.453
 1205   2HB   ALA 151          2HB       ALA 151 -18.055   3.407   2.899
 1206   3HB   ALA 151          3HB       ALA 151 -19.518   2.538   2.435
 1207    H    PHE 152           H        PHE 152 -16.589   1.459  -0.872
 1208    HA   PHE 152           HA       PHE 152 -14.261   3.060  -0.616
 1209   1HB   PHE 152          2HB       PHE 152 -13.801   2.321  -2.951
 1210   2HB   PHE 152          1HB       PHE 152 -14.165   0.997  -1.850
 1211    HD1  PHE 152           1HD      PHE 152 -15.246   2.843  -4.783
 1212    HD2  PHE 152           2HD      PHE 152 -16.301  -0.152  -1.965
 1213    HE1  PHE 152           1HE      PHE 152 -17.036   2.072  -6.289
 1214    HE2  PHE 152           2HE      PHE 152 -18.093  -0.941  -3.464
 1215    HZ   PHE 152           HZ       PHE 152 -18.463   0.174  -5.629
 1216    H    ASP 153           H        ASP 153 -16.583   4.669  -0.472
 1217    HA   ASP 153           HA       ASP 153 -16.346   6.325  -2.890
 1218   1HB   ASP 153          2HB       ASP 153 -18.496   7.347  -2.197
 1219   2HB   ASP 153          1HB       ASP 153 -18.647   5.614  -2.464
 1220    H    LYS 154           H        LYS 154 -15.172   5.946   0.076
 1221    HA   LYS 154           HA       LYS 154 -15.185   8.687   1.000
 1222   1HB   LYS 154          2HB       LYS 154 -13.712   6.269   2.046
 1223   2HB   LYS 154          1HB       LYS 154 -13.940   7.802   2.888
 1224   1HG   LYS 154          2HG       LYS 154 -16.404   7.369   2.821
 1225   2HG   LYS 154          1HG       LYS 154 -16.041   5.766   2.186
 1226   1HD   LYS 154          2HD       LYS 154 -15.068   6.861   4.824
 1227   2HD   LYS 154          1HD       LYS 154 -16.407   5.733   4.618
 1228   1HE   LYS 154          2HE       LYS 154 -13.537   5.218   3.838
 1229   2HE   LYS 154          1HE       LYS 154 -14.336   4.592   5.279
 1230   1HZ   LYS 154          1HZ       LYS 154 -14.401   3.604   2.610
 1231   2HZ   LYS 154          2HZ       LYS 154 -15.965   3.877   3.191
 1232   3HZ   LYS 154          3HZ       LYS 154 -14.912   2.862   4.041
 1233    H    LEU 155           H        LEU 155 -12.687   8.817   2.151
 1234    HA   LEU 155           HA       LEU 155 -10.689   9.813   1.683
 1235   1HB   LEU 155          2HB       LEU 155 -10.423   7.280   0.062
 1236   2HB   LEU 155          1HB       LEU 155  -9.093   8.291   0.595
 1237    HG   LEU 155           HG       LEU 155  -9.212   6.365   2.032
 1238   1HD1  LEU 155          1HD1      LEU 155 -10.127   7.676   4.210
 1239   2HD1  LEU 155          2HD1      LEU 155  -9.837   9.022   3.107
 1240   3HD1  LEU 155          3HD1      LEU 155  -8.528   7.911   3.503
 1241   1HD2  LEU 155          1HD2      LEU 155 -11.850   6.965   3.170
 1242   2HD2  LEU 155          2HD2      LEU 155 -11.070   5.415   2.844
 1243   3HD2  LEU 155          3HD2      LEU 155 -11.856   6.300   1.536
 1244    H    ASN 156           H        ASN 156 -11.940  11.448   0.404
 1245    HA   ASN 156           HA       ASN 156 -12.124  11.419  -2.377
 1246   1HB   ASN 156          2HB       ASN 156 -12.293  13.875  -2.206
 1247   2HB   ASN 156          1HB       ASN 156 -13.284  13.061  -0.996
 1248   1HD2  ASN 156          1HD2      ASN 156 -11.261  15.568  -1.461
 1249   2HD2  ASN 156          2HD2      ASN 156 -10.675  15.783   0.148
 1250    H    LYS 157           H        LYS 157 -10.802  12.177  -4.029
 1251    HA   LYS 157           HA       LYS 157  -8.015  11.824  -3.637
 1252   1HB   LYS 157          2HB       LYS 157  -9.560  12.871  -6.008
 1253   2HB   LYS 157          1HB       LYS 157  -7.833  12.546  -6.027
 1254   1HG   LYS 157          2HG       LYS 157  -8.278  10.191  -5.527
 1255   2HG   LYS 157          1HG       LYS 157 -10.008  10.525  -5.538
 1256   1HD   LYS 157          2HD       LYS 157  -8.171  10.989  -7.886
 1257   2HD   LYS 157          1HD       LYS 157  -9.146   9.536  -7.659
 1258   1HE   LYS 157          2HE       LYS 157 -10.326  10.975  -9.149
 1259   2HE   LYS 157          1HE       LYS 157 -11.172  10.995  -7.604
 1260   1HZ   LYS 157          1HZ       LYS 157 -10.389  13.179  -9.003
 1261   2HZ   LYS 157          2HZ       LYS 157  -9.179  13.049  -7.829
 1262   3HZ   LYS 157          3HZ       LYS 157 -10.800  13.165  -7.362
 1263    H    TRP 158           H        TRP 158  -6.386  13.404  -4.450
 1264    HA   TRP 158           HA       TRP 158  -6.184  15.623  -2.865
 1265   1HB   TRP 158          2HB       TRP 158  -4.333  14.605  -4.170
 1266   2HB   TRP 158          1HB       TRP 158  -5.001  15.316  -5.632
 1267    HD1  TRP 158           HD       TRP 158  -4.488  17.852  -6.098
 1268    HE1  TRP 158           1HE      TRP 158  -2.954  19.579  -4.966
 1269    HE3  TRP 158           3HE      TRP 158  -3.416  15.287  -1.808
 1270    HZ2  TRP 158           2HZ      TRP 158  -1.473  19.818  -2.571
 1271    HZ3  TRP 158           3HZ      TRP 158  -1.927  16.332  -0.152
 1272    HH2  TRP 158           HH       TRP 158  -0.977  18.550  -0.527
  Start of MODEL    9
    1   1H    THR   1          1HT       THR   1   2.095 -13.139 -10.419
    2   2H    THR   1          2HT       THR   1   0.818 -14.246 -10.509
    3   3H    THR   1          3HT       THR   1   2.210 -14.633  -9.630
    4    HA   THR   1           HA       THR   1  -0.055 -13.627  -8.583
    5    HB   THR   1           HB       THR   1   2.795 -13.406  -7.574
    6    HG1  THR   1           1HG      THR   1   1.279 -15.506  -8.088
    7   1HG2  THR   1          1HG2      THR   1   0.290 -13.570  -5.925
    8   2HG2  THR   1          2HG2      THR   1   1.176 -12.075  -6.235
    9   3HG2  THR   1          3HG2      THR   1   1.951 -13.395  -5.356
   10    H    VAL   2           H        VAL   2  -0.729 -11.674  -7.655
   11    HA   VAL   2           HA       VAL   2   0.630  -9.268  -8.664
   12    HB   VAL   2           HB       VAL   2  -1.415  -9.532  -9.882
   13   1HG1  VAL   2          1HG1      VAL   2  -2.826 -10.928  -8.774
   14   2HG1  VAL   2          2HG1      VAL   2  -3.591  -9.381  -8.410
   15   3HG1  VAL   2          3HG1      VAL   2  -2.552 -10.153  -7.213
   16   1HG2  VAL   2          1HG2      VAL   2  -0.846  -7.302  -8.263
   17   2HG2  VAL   2          2HG2      VAL   2  -2.596  -7.523  -8.221
   18   3HG2  VAL   2          3HG2      VAL   2  -1.765  -7.343  -9.767
   19    H    ALA   3           H        ALA   3   0.774  -7.494  -7.295
   20    HA   ALA   3           HA       ALA   3   0.227  -8.081  -4.471
   21   1HB   ALA   3          1HB       ALA   3   2.243  -6.189  -5.670
   22   2HB   ALA   3          2HB       ALA   3   2.579  -7.788  -5.009
   23   3HB   ALA   3          3HB       ALA   3   2.013  -6.497  -3.949
   24    H    TYR   4           H        TYR   4  -0.818  -6.700  -3.180
   25    HA   TYR   4           HA       TYR   4  -2.053  -4.290  -4.387
   26   1HB   TYR   4          2HB       TYR   4  -3.174  -6.111  -2.253
   27   2HB   TYR   4          1HB       TYR   4  -3.975  -4.707  -2.944
   28    HD1  TYR   4           1HD      TYR   4  -2.322  -7.829  -4.180
   29    HD2  TYR   4           2HD      TYR   4  -5.611  -5.157  -4.512
   30    HE1  TYR   4           1HE      TYR   4  -3.308  -9.249  -5.921
   31    HE2  TYR   4           2HE      TYR   4  -6.599  -6.575  -6.253
   32    HH   TYR   4           HH       TYR   4  -4.972  -9.535  -7.348
   33    H    ILE   5           H        ILE   5  -0.258  -3.039  -3.659
   34    HA   ILE   5           HA       ILE   5   0.189  -2.880  -0.770
   35    HB   ILE   5           HB       ILE   5   1.741  -1.466  -2.931
   36   1HG1  ILE   5          2HG1      ILE   5   2.249  -4.208  -1.751
   37   2HG1  ILE   5          1HG1      ILE   5   1.699  -3.883  -3.393
   38   1HG2  ILE   5          1HG2      ILE   5   2.067  -1.921  -0.021
   39   2HG2  ILE   5          2HG2      ILE   5   2.478  -0.516  -1.003
   40   3HG2  ILE   5          3HG2      ILE   5   3.521  -1.940  -1.017
   41   1HD1  ILE   5          1HD1      ILE   5   3.906  -4.142  -3.804
   42   2HD1  ILE   5          2HD1      ILE   5   4.385  -3.598  -2.197
   43   3HD1  ILE   5          3HD1      ILE   5   3.915  -2.420  -3.423
   44    H    ALA   6           H        ALA   6   0.549  -0.748   0.206
   45    HA   ALA   6           HA       ALA   6  -1.064   1.402  -0.993
   46   1HB   ALA   6          1HB       ALA   6  -1.084   0.934   1.967
   47   2HB   ALA   6          2HB       ALA   6  -2.190   0.056   0.910
   48   3HB   ALA   6          3HB       ALA   6  -2.238   1.818   0.969
   49    H    ILE   7           H        ILE   7  -0.021   3.302  -1.068
   50    HA   ILE   7           HA       ILE   7   2.501   3.560   0.423
   51    HB   ILE   7           HB       ILE   7   1.537   4.987  -2.061
   52   1HG1  ILE   7          2HG1      ILE   7   3.555   3.821  -3.062
   53   2HG1  ILE   7          1HG1      ILE   7   3.643   2.872  -1.584
   54   1HG2  ILE   7          1HG2      ILE   7   4.061   5.333  -0.465
   55   2HG2  ILE   7          2HG2      ILE   7   2.849   6.552  -0.859
   56   3HG2  ILE   7          3HG2      ILE   7   3.879   5.889  -2.128
   57   1HD1  ILE   7          1HD1      ILE   7   2.405   1.984  -3.716
   58   2HD1  ILE   7          2HD1      ILE   7   1.073   2.943  -3.070
   59   3HD1  ILE   7          3HD1      ILE   7   1.784   1.655  -2.098
   60    H    GLY   8           H        GLY   8   3.079   5.626   1.379
   61   1HA   GLY   8          2HA       GLY   8   0.972   7.614   1.699
   62   2HA   GLY   8          1HA       GLY   8   1.403   6.736   3.162
   63    H    SER   9           H        SER   9   1.852   9.620   1.889
   64    HA   SER   9           HA       SER   9   4.513   9.864   3.081
   65   1HB   SER   9          2HB       SER   9   3.933  10.910   0.310
   66   2HB   SER   9          1HB       SER   9   5.471  10.966   1.170
   67    HG   SER   9           HG       SER   9   5.117   8.530   1.219
   68    H    ASN  10           H        ASN  10   5.217  12.117   3.369
   69    HA   ASN  10           HA       ASN  10   3.489  14.297   2.969
   70   1HB   ASN  10          2HB       ASN  10   2.971  14.707   5.419
   71   2HB   ASN  10          1HB       ASN  10   2.038  13.457   4.607
   72   1HD2  ASN  10          1HD2      ASN  10   1.779  11.706   5.702
   73   2HD2  ASN  10          2HD2      ASN  10   2.851  11.075   6.903
   74    H    LEU  11           H        LEU  11   5.939  13.088   5.294
   75    HA   LEU  11           HA       LEU  11   7.040  15.600   5.878
   76   1HB   LEU  11          2HB       LEU  11   8.136  12.815   6.034
   77   2HB   LEU  11          1HB       LEU  11   9.165  14.193   6.375
   78    HG   LEU  11           HG       LEU  11   6.639  13.454   7.851
   79   1HD1  LEU  11          1HD1      LEU  11   9.514  12.930   8.280
   80   2HD1  LEU  11          2HD1      LEU  11   8.106  11.977   8.739
   81   3HD1  LEU  11          3HD1      LEU  11   8.564  13.386   9.695
   82   1HD2  LEU  11          1HD2      LEU  11   8.614  15.637   8.494
   83   2HD2  LEU  11          2HD2      LEU  11   7.094  15.283   9.318
   84   3HD2  LEU  11          3HD2      LEU  11   7.079  15.910   7.670
   85    H    ALA  12           H        ALA  12   7.092  13.906   2.999
   86    HA   ALA  12           HA       ALA  12   9.122  15.720   1.938
   87   1HB   ALA  12          1HB       ALA  12   9.538  12.913   2.313
   88   2HB   ALA  12          2HB       ALA  12  10.646  14.128   1.679
   89   3HB   ALA  12          3HB       ALA  12   9.541  13.289   0.590
   90    H    SER  13           H        SER  13   6.440  16.044   1.680
   91    HA   SER  13           HA       SER  13   4.864  16.537   0.127
   92   1HB   SER  13          2HB       SER  13   6.974  15.663  -1.860
   93   2HB   SER  13          1HB       SER  13   5.471  16.487  -2.272
   94    HG   SER  13           HG       SER  13   7.786  17.546  -1.464
   95    HA   PRO  14           HA       PRO  14   3.054  12.347   0.454
   96   1HB   PRO  14          2HB       PRO  14   0.916  14.087  -0.700
   97   2HB   PRO  14          1HB       PRO  14   0.809  12.824   0.530
   98   1HG   PRO  14          2HG       PRO  14   0.823  15.384   1.233
   99   2HG   PRO  14          1HG       PRO  14   1.704  14.175   2.192
  100   1HD   PRO  14          2HD       PRO  14   2.745  16.257   0.341
  101   2HD   PRO  14          1HD       PRO  14   3.511  15.527   1.767
  102    H    LEU  15           H        LEU  15   3.080  14.533  -2.320
  103    HA   LEU  15           HA       LEU  15   2.228  12.470  -4.152
  104   1HB   LEU  15          2HB       LEU  15   1.487  14.736  -4.515
  105   2HB   LEU  15          1HB       LEU  15   3.144  15.305  -4.593
  106    HG   LEU  15           HG       LEU  15   3.478  13.991  -6.662
  107   1HD1  LEU  15          1HD1      LEU  15   1.323  13.232  -7.798
  108   2HD1  LEU  15          2HD1      LEU  15   0.600  13.289  -6.191
  109   3HD1  LEU  15          3HD1      LEU  15   1.963  12.216  -6.506
  110   1HD2  LEU  15          1HD2      LEU  15   1.586  16.222  -6.369
  111   2HD2  LEU  15          2HD2      LEU  15   1.513  15.365  -7.909
  112   3HD2  LEU  15          3HD2      LEU  15   3.032  16.079  -7.368
  113    H    GLU  16           H        GLU  16   5.220  14.360  -3.685
  114    HA   GLU  16           HA       GLU  16   6.678  13.206  -5.749
  115   1HB   GLU  16          2HB       GLU  16   7.500  14.496  -3.177
  116   2HB   GLU  16          1HB       GLU  16   8.674  13.970  -4.378
  117   1HG   GLU  16          2HG       GLU  16   7.533  15.420  -6.033
  118   2HG   GLU  16          1HG       GLU  16   6.497  16.017  -4.736
  119    H    GLN  17           H        GLN  17   6.055  11.944  -2.527
  120    HA   GLN  17           HA       GLN  17   8.194   9.994  -2.819
  121   1HB   GLN  17          2HB       GLN  17   6.112  10.224  -0.652
  122   2HB   GLN  17          1HB       GLN  17   7.557   9.225  -0.607
  123   1HG   GLN  17          2HG       GLN  17   7.476  12.232  -0.688
  124   2HG   GLN  17          1HG       GLN  17   7.835  11.234   0.720
  125   1HE2  GLN  17          1HE2      GLN  17   9.889  10.927   1.150
  126   2HE2  GLN  17          2HE2      GLN  17  11.199  11.063   0.031
  127    H    VAL  18           H        VAL  18   4.833  10.221  -3.455
  128    HA   VAL  18           HA       VAL  18   4.393   7.364  -3.453
  129    HB   VAL  18           HB       VAL  18   2.637   9.704  -4.187
  130   1HG1  VAL  18          1HG1      VAL  18   1.950   7.940  -5.654
  131   2HG1  VAL  18          2HG1      VAL  18   0.789   8.032  -4.328
  132   3HG1  VAL  18          3HG1      VAL  18   2.011   6.760  -4.345
  133   1HG2  VAL  18          1HG2      VAL  18   1.729   7.865  -2.143
  134   2HG2  VAL  18          2HG2      VAL  18   1.944   9.614  -2.073
  135   3HG2  VAL  18          3HG2      VAL  18   3.312   8.546  -1.764
  136    H    ASN  19           H        ASN  19   5.375   9.800  -5.717
  137    HA   ASN  19           HA       ASN  19   4.581   8.463  -8.094
  138   1HB   ASN  19          2HB       ASN  19   6.829  10.443  -7.644
  139   2HB   ASN  19          1HB       ASN  19   6.252   9.914  -9.221
  140   1HD2  ASN  19          1HD2      ASN  19   6.193  12.430  -7.296
  141   2HD2  ASN  19          2HD2      ASN  19   4.619  13.068  -7.609
  142    H    ALA  20           H        ALA  20   7.655   8.557  -6.304
  143    HA   ALA  20           HA       ALA  20   8.877   6.589  -8.013
  144   1HB   ALA  20          1HB       ALA  20   9.917   8.512  -6.465
  145   2HB   ALA  20          2HB       ALA  20  10.817   7.076  -6.949
  146   3HB   ALA  20          3HB       ALA  20  10.056   7.145  -5.360
  147    H    ALA  21           H        ALA  21   6.984   6.576  -5.128
  148    HA   ALA  21           HA       ALA  21   7.741   4.174  -3.928
  149   1HB   ALA  21          1HB       ALA  21   5.096   5.592  -4.070
  150   2HB   ALA  21          2HB       ALA  21   6.266   5.583  -2.748
  151   3HB   ALA  21          3HB       ALA  21   5.344   4.126  -3.119
  152    H    LEU  22           H        LEU  22   5.203   4.748  -6.360
  153    HA   LEU  22           HA       LEU  22   4.864   1.900  -6.752
  154   1HB   LEU  22          2HB       LEU  22   3.180   2.635  -8.470
  155   2HB   LEU  22          1HB       LEU  22   2.852   3.122  -6.820
  156    HG   LEU  22           HG       LEU  22   3.865   5.378  -7.435
  157   1HD1  LEU  22          1HD1      LEU  22   4.232   3.981  -9.927
  158   2HD1  LEU  22          2HD1      LEU  22   4.844   5.554  -9.418
  159   3HD1  LEU  22          3HD1      LEU  22   3.246   5.424 -10.150
  160   1HD2  LEU  22          1HD2      LEU  22   1.717   5.923  -7.423
  161   2HD2  LEU  22          2HD2      LEU  22   1.276   4.274  -7.867
  162   3HD2  LEU  22          3HD2      LEU  22   1.602   5.468  -9.123
  163    H    LYS  23           H        LYS  23   6.666   4.460  -8.178
  164    HA   LYS  23           HA       LYS  23   6.960   3.327 -10.776
  165   1HB   LYS  23          2HB       LYS  23   7.318   5.743 -10.170
  166   2HB   LYS  23          1HB       LYS  23   8.813   5.266  -9.384
  167   1HG   LYS  23          2HG       LYS  23   8.286   4.686 -12.280
  168   2HG   LYS  23          1HG       LYS  23   8.960   6.219 -11.740
  169   1HD   LYS  23          2HD       LYS  23  10.177   3.527 -11.128
  170   2HD   LYS  23          1HD       LYS  23  10.657   4.545 -12.485
  171   1HE   LYS  23          2HE       LYS  23  12.209   4.917 -10.714
  172   2HE   LYS  23          1HE       LYS  23  11.189   6.349 -10.839
  173   1HZ   LYS  23          1HZ       LYS  23  10.192   5.928  -8.854
  174   2HZ   LYS  23          2HZ       LYS  23  11.700   5.230  -8.538
  175   3HZ   LYS  23          3HZ       LYS  23  10.388   4.250  -8.962
  176    H    ALA  24           H        ALA  24   8.781   3.113  -7.774
  177    HA   ALA  24           HA       ALA  24  11.045   1.797  -8.823
  178   1HB   ALA  24          1HB       ALA  24  10.301   2.821  -6.364
  179   2HB   ALA  24          2HB       ALA  24  11.819   2.009  -6.751
  180   3HB   ALA  24          3HB       ALA  24  10.475   1.090  -6.073
  181    H    LEU  25           H        LEU  25   7.865   0.671  -8.254
  182    HA   LEU  25           HA       LEU  25   8.496  -2.057  -7.687
  183   1HB   LEU  25          2HB       LEU  25   5.971  -0.890  -8.878
  184   2HB   LEU  25          1HB       LEU  25   6.138  -2.493  -8.188
  185    HG   LEU  25           HG       LEU  25   6.413   0.094  -6.652
  186   1HD1  LEU  25          1HD1      LEU  25   4.101  -1.246  -7.534
  187   2HD1  LEU  25          2HD1      LEU  25   4.213   0.085  -6.384
  188   3HD1  LEU  25          3HD1      LEU  25   4.257  -1.581  -5.809
  189   1HD2  LEU  25          1HD2      LEU  25   7.382  -2.458  -6.052
  190   2HD2  LEU  25          2HD2      LEU  25   5.912  -2.272  -5.094
  191   3HD2  LEU  25          3HD2      LEU  25   7.215  -1.090  -4.952
  192    H    GLY  26           H        GLY  26   8.391  -0.138 -10.547
  193   1HA   GLY  26          2HA       GLY  26   8.061  -2.335 -12.381
  194   2HA   GLY  26          1HA       GLY  26   8.507  -0.685 -12.795
  195    H    ASP  27           H        ASP  27  10.631  -1.110 -10.548
  196    HA   ASP  27           HA       ASP  27  12.637  -2.279 -12.351
  197   1HB   ASP  27          2HB       ASP  27  12.953   0.094 -11.605
  198   2HB   ASP  27          1HB       ASP  27  13.087  -0.492  -9.950
  199    H    ILE  28           H        ILE  28  10.964  -2.747  -9.408
  200    HA   ILE  28           HA       ILE  28  12.816  -4.198  -7.906
  201    HB   ILE  28           HB       ILE  28   9.810  -4.291  -8.023
  202   1HG1  ILE  28          2HG1      ILE  28  11.781  -3.272  -5.968
  203   2HG1  ILE  28          1HG1      ILE  28  10.828  -2.287  -7.070
  204   1HG2  ILE  28          1HG2      ILE  28  10.576  -6.525  -7.378
  205   2HG2  ILE  28          2HG2      ILE  28   9.793  -5.692  -6.036
  206   3HG2  ILE  28          3HG2      ILE  28  11.550  -5.818  -6.091
  207   1HD1  ILE  28          1HD1      ILE  28   9.745  -4.030  -4.869
  208   2HD1  ILE  28          2HD1      ILE  28   8.782  -3.059  -5.980
  209   3HD1  ILE  28          3HD1      ILE  28   9.876  -2.270  -4.845
  210    HA   PRO  29           HA       PRO  29  13.500  -7.912 -10.181
  211   1HB   PRO  29          2HB       PRO  29  13.874  -9.643  -8.076
  212   2HB   PRO  29          1HB       PRO  29  15.106  -8.533  -8.688
  213   1HG   PRO  29          2HG       PRO  29  13.263  -8.217  -6.349
  214   2HG   PRO  29          1HG       PRO  29  14.990  -7.823  -6.478
  215   1HD   PRO  29          2HD       PRO  29  13.113  -5.914  -6.642
  216   2HD   PRO  29          1HD       PRO  29  14.579  -5.860  -7.650
  217    H    GLU  30           H        GLU  30  12.285  -9.446 -11.066
  218    HA   GLU  30           HA       GLU  30  10.511 -10.773 -11.552
  219   1HB   GLU  30          2HB       GLU  30  10.521 -11.247  -8.568
  220   2HB   GLU  30          1HB       GLU  30   9.739 -12.265  -9.771
  221   1HG   GLU  30          2HG       GLU  30  12.694 -11.742  -9.574
  222   2HG   GLU  30          1HG       GLU  30  11.866 -13.194  -9.012
  223    H    SER  31           H        SER  31   9.968  -7.911 -10.697
  224    HA   SER  31           HA       SER  31   7.114  -8.296 -10.067
  225   1HB   SER  31          2HB       SER  31   7.097  -6.162  -8.919
  226   2HB   SER  31          1HB       SER  31   8.376  -7.166  -8.239
  227    HG   SER  31           HG       SER  31   9.839  -5.861  -9.027
  228    H    HIS  32           H        HIS  32   5.604  -6.895 -11.068
  229    HA   HIS  32           HA       HIS  32   6.480  -5.043 -13.100
  230   1HB   HIS  32          2HB       HIS  32   6.720  -7.257 -14.212
  231   2HB   HIS  32          1HB       HIS  32   5.004  -7.535 -13.961
  232    HD1  HIS  32           1HD      HIS  32   7.047  -4.706 -15.506
  233    HD2  HIS  32           2HD      HIS  32   3.640  -6.978 -16.211
  234    HE1  HIS  32           1HE      HIS  32   6.119  -3.866 -17.687
  235    HE2  HIS  32           2HE      HIS  32   4.098  -5.304 -18.128
  236    H    ILE  33           H        ILE  33   5.156  -3.475 -12.202
  237    HA   ILE  33           HA       ILE  33   2.585  -3.822 -11.232
  238    HB   ILE  33           HB       ILE  33   3.999  -1.436 -12.361
  239   1HG1  ILE  33          2HG1      ILE  33   2.845  -2.163  -9.664
  240   2HG1  ILE  33          1HG1      ILE  33   4.549  -2.141 -10.109
  241   1HG2  ILE  33          1HG2      ILE  33   1.705  -1.150 -13.114
  242   2HG2  ILE  33          2HG2      ILE  33   2.057  -0.029 -11.796
  243   3HG2  ILE  33          3HG2      ILE  33   1.109  -1.483 -11.487
  244   1HD1  ILE  33          1HD1      ILE  33   3.557   0.418 -10.683
  245   2HD1  ILE  33          2HD1      ILE  33   4.655  -0.058  -9.387
  246   3HD1  ILE  33          3HD1      ILE  33   2.914  -0.027  -9.104
  247    H    LEU  34           H        LEU  34   0.806  -4.477 -12.144
  248    HA   LEU  34           HA       LEU  34   0.538  -4.534 -15.023
  249   1HB   LEU  34          2HB       LEU  34  -0.094  -6.402 -13.404
  250   2HB   LEU  34          1HB       LEU  34  -1.480  -5.428 -12.971
  251    HG   LEU  34           HG       LEU  34  -2.039  -7.205 -14.579
  252   1HD1  LEU  34          1HD1      LEU  34  -2.278  -4.522 -15.916
  253   2HD1  LEU  34          2HD1      LEU  34  -3.261  -5.017 -14.538
  254   3HD1  LEU  34          3HD1      LEU  34  -3.358  -5.909 -16.057
  255   1HD2  LEU  34          1HD2      LEU  34  -1.210  -7.179 -16.832
  256   2HD2  LEU  34          2HD2      LEU  34   0.159  -7.240 -15.721
  257   3HD2  LEU  34          3HD2      LEU  34  -0.268  -5.724 -16.514
  258    H    THR  35           H        THR  35  -1.115  -3.051 -12.252
  259    HA   THR  35           HA       THR  35  -2.262  -1.067 -14.098
  260    HB   THR  35           HB       THR  35  -4.330  -1.043 -12.730
  261    HG1  THR  35           1HG      THR  35  -3.283  -2.023 -10.860
  262   1HG2  THR  35          1HG2      THR  35  -3.598  -3.028 -14.590
  263   2HG2  THR  35          2HG2      THR  35  -5.212  -2.445 -14.185
  264   3HG2  THR  35          3HG2      THR  35  -4.524  -3.814 -13.312
  265    H    VAL  36           H        VAL  36  -2.939   0.946 -13.015
  266    HA   VAL  36           HA       VAL  36  -1.584   1.485 -10.469
  267    HB   VAL  36           HB       VAL  36  -1.265   3.232 -12.916
  268   1HG1  VAL  36          1HG1      VAL  36  -1.370   4.489 -10.814
  269   2HG1  VAL  36          2HG1      VAL  36   0.239   4.557 -11.533
  270   3HG1  VAL  36          3HG1      VAL  36  -0.069   3.496 -10.158
  271   1HG2  VAL  36          1HG2      VAL  36   1.180   2.628 -12.607
  272   2HG2  VAL  36          2HG2      VAL  36   0.134   1.364 -13.255
  273   3HG2  VAL  36          3HG2      VAL  36   0.623   1.323 -11.560
  274    H    SER  37           H        SER  37  -2.781   2.720  -9.132
  275    HA   SER  37           HA       SER  37  -5.386   3.587  -9.993
  276   1HB   SER  37          2HB       SER  37  -5.072   2.600  -7.765
  277   2HB   SER  37          1HB       SER  37  -4.000   3.927  -7.320
  278    HG   SER  37           HG       SER  37  -6.734   3.834  -7.403
  279    H    SER  38           H        SER  38  -4.541   5.838  -7.736
  280    HA   SER  38           HA       SER  38  -3.367   7.743  -9.601
  281   1HB   SER  38          2HB       SER  38  -5.833   7.909  -9.926
  282   2HB   SER  38          1HB       SER  38  -5.999   8.319  -8.218
  283    HG   SER  38           HG       SER  38  -5.900  10.144  -9.693
  284    H    PHE  39           H        PHE  39  -4.633   9.754  -7.463
  285    HA   PHE  39           HA       PHE  39  -2.849   9.147  -5.225
  286   1HB   PHE  39          2HB       PHE  39  -2.767  11.863  -6.551
  287   2HB   PHE  39          1HB       PHE  39  -1.750  11.277  -5.243
  288    HD1  PHE  39           1HD      PHE  39   0.245  10.112  -5.676
  289    HD2  PHE  39           2HD      PHE  39  -2.491  10.886  -8.840
  290    HE1  PHE  39           1HE      PHE  39   1.936   9.388  -7.308
  291    HE2  PHE  39           2HE      PHE  39  -0.807  10.161 -10.478
  292    HZ   PHE  39           HZ       PHE  39   1.408   9.386  -9.706
  293    H    TYR  40           H        TYR  40  -4.550   8.921  -3.847
  294    HA   TYR  40           HA       TYR  40  -6.583  11.000  -3.754
  295   1HB   TYR  40          2HB       TYR  40  -6.378   8.418  -2.194
  296   2HB   TYR  40          1HB       TYR  40  -7.758   9.508  -2.204
  297    HD1  TYR  40           1HD      TYR  40  -5.627   7.668  -4.665
  298    HD2  TYR  40           2HD      TYR  40  -9.541   8.912  -3.553
  299    HE1  TYR  40           1HE      TYR  40  -6.554   6.459  -6.594
  300    HE2  TYR  40           2HE      TYR  40 -10.478   7.702  -5.477
  301    HH   TYR  40           HH       TYR  40  -8.802   6.746  -8.043
  302    H    ARG  41           H        ARG  41  -6.788  12.488  -2.203
  303    HA   ARG  41           HA       ARG  41  -4.662  12.732  -0.244
  304   1HB   ARG  41          2HB       ARG  41  -5.660  14.677  -1.579
  305   2HB   ARG  41          1HB       ARG  41  -7.075  14.527  -0.550
  306   1HG   ARG  41          2HG       ARG  41  -5.635  14.943   1.426
  307   2HG   ARG  41          1HG       ARG  41  -4.274  15.187   0.329
  308   1HD   ARG  41          2HD       ARG  41  -5.370  17.066  -0.704
  309   2HD   ARG  41          1HD       ARG  41  -6.827  16.783   0.247
  310    HE   ARG  41           HE       ARG  41  -4.551  18.248   1.054
  311   1HH1  ARG  41          1HH1      ARG  41  -6.937  16.016   2.274
  312   2HH1  ARG  41          2HH1      ARG  41  -6.817  16.584   3.905
  313   1HH2  ARG  41          1HH2      ARG  41  -4.390  18.999   3.199
  314   2HH2  ARG  41          2HH2      ARG  41  -5.371  18.278   4.432
  315    H    THR  42           H        THR  42  -4.845  11.522   1.524
  316    HA   THR  42           HA       THR  42  -7.187  11.718   3.190
  317    HB   THR  42           HB       THR  42  -7.902   9.999   1.577
  318    HG1  THR  42           1HG      THR  42  -8.476   9.876   3.847
  319   1HG2  THR  42          1HG2      THR  42  -5.378   8.644   2.423
  320   2HG2  THR  42          2HG2      THR  42  -6.035   8.881   0.804
  321   3HG2  THR  42          3HG2      THR  42  -6.777   7.709   1.893
  322    HA   PRO  43           HA       PRO  43  -4.270  11.360   6.457
  323   1HB   PRO  43          2HB       PRO  43  -6.287   9.534   7.684
  324   2HB   PRO  43          1HB       PRO  43  -5.454  10.926   8.388
  325   1HG   PRO  43          2HG       PRO  43  -7.977  11.139   7.588
  326   2HG   PRO  43          1HG       PRO  43  -6.826  12.458   7.308
  327   1HD   PRO  43          2HD       PRO  43  -7.934  10.467   5.385
  328   2HD   PRO  43          1HD       PRO  43  -7.486  12.166   5.121
  329    HA   PRO  44           HA       PRO  44  -2.465   7.385   5.382
  330   1HB   PRO  44          2HB       PRO  44   0.022   8.343   6.468
  331   2HB   PRO  44          1HB       PRO  44  -0.398   8.042   4.784
  332   1HG   PRO  44          2HG       PRO  44   0.058  10.539   5.827
  333   2HG   PRO  44          1HG       PRO  44  -0.944  10.226   4.400
  334   1HD   PRO  44          2HD       PRO  44  -1.766  10.756   7.222
  335   2HD   PRO  44          1HD       PRO  44  -2.502  11.310   5.706
  336    H    LEU  45           H        LEU  45  -3.197   8.709   8.308
  337    HA   LEU  45           HA       LEU  45  -3.480   7.851  10.385
  338   1HB   LEU  45          2HB       LEU  45  -2.599   5.332   9.005
  339   2HB   LEU  45          1HB       LEU  45  -2.929   5.371  10.724
  340    HG   LEU  45           HG       LEU  45  -4.854   4.511   9.600
  341   1HD1  LEU  45          1HD1      LEU  45  -6.247   5.615  10.925
  342   2HD1  LEU  45          2HD1      LEU  45  -6.048   7.110  10.012
  343   3HD1  LEU  45          3HD1      LEU  45  -4.907   6.700  11.293
  344   1HD2  LEU  45          1HD2      LEU  45  -4.216   5.707   7.409
  345   2HD2  LEU  45          2HD2      LEU  45  -5.184   7.041   8.038
  346   3HD2  LEU  45          3HD2      LEU  45  -5.923   5.460   7.777
  347    H    GLY  46           H        GLY  46  -2.185   8.768  11.812
  348   1HA   GLY  46          2HA       GLY  46  -0.324   8.006  13.341
  349   2HA   GLY  46          1HA       GLY  46   0.640   7.908  11.877
  350    HA   PRO  47           HA       PRO  47   1.199  12.182  13.483
  351   1HB   PRO  47          2HB       PRO  47   3.674  11.961  14.443
  352   2HB   PRO  47          1HB       PRO  47   2.273  11.418  15.361
  353   1HG   PRO  47          2HG       PRO  47   4.365   9.827  14.004
  354   2HG   PRO  47          1HG       PRO  47   3.297   9.379  15.344
  355   1HD   PRO  47          2HD       PRO  47   3.013   8.782  12.547
  356   2HD   PRO  47          1HD       PRO  47   1.963   8.289  13.891
  357    H    GLN  48           H        GLN  48   4.474  11.865  13.167
  358    HA   GLN  48           HA       GLN  48   6.080  12.744  11.930
  359   1HB   GLN  48          2HB       GLN  48   6.007  12.224   9.426
  360   2HB   GLN  48          1HB       GLN  48   6.124  10.899  10.571
  361   1HG   GLN  48          2HG       GLN  48   3.518  11.730   9.367
  362   2HG   GLN  48          1HG       GLN  48   4.607  10.597   8.592
  363   1HE2  GLN  48          1HE2      GLN  48   1.893  10.555  10.147
  364   2HE2  GLN  48          2HE2      GLN  48   2.055   9.131  11.109
  365    H    ASP  49           H        ASP  49   3.093  13.455  10.198
  366    HA   ASP  49           HA       ASP  49   3.337  16.226  10.483
  367   1HB   ASP  49          2HB       ASP  49   5.267  15.911   8.960
  368   2HB   ASP  49          1HB       ASP  49   4.175  15.232   7.758
  369    H    GLN  50           H        GLN  50   2.453  14.236   7.685
  370    HA   GLN  50           HA       GLN  50   0.535  14.108   6.488
  371   1HB   GLN  50          2HB       GLN  50  -0.422  13.999   9.333
  372   2HB   GLN  50          1HB       GLN  50  -1.520  13.805   7.976
  373   1HG   GLN  50          2HG       GLN  50  -0.356  11.870   7.216
  374   2HG   GLN  50          1HG       GLN  50   0.921  12.116   8.404
  375   1HE2  GLN  50          1HE2      GLN  50   0.757  10.356   9.610
  376   2HE2  GLN  50          2HE2      GLN  50  -0.640   9.884  10.500
  377    HA   PRO  51           HA       PRO  51  -0.597  18.599   6.911
  378   1HB   PRO  51          2HB       PRO  51   1.114  19.726   5.217
  379   2HB   PRO  51          1HB       PRO  51   1.644  19.254   6.837
  380   1HG   PRO  51          2HG       PRO  51   2.136  17.922   4.217
  381   2HG   PRO  51          1HG       PRO  51   3.199  18.046   5.629
  382   1HD   PRO  51          2HD       PRO  51   1.563  15.849   4.930
  383   2HD   PRO  51          1HD       PRO  51   2.413  16.083   6.470
  384    H    ASP  52           H        ASP  52  -0.802  16.184   4.803
  385    HA   ASP  52           HA       ASP  52  -2.645  17.562   3.028
  386   1HB   ASP  52          2HB       ASP  52  -0.425  15.847   1.910
  387   2HB   ASP  52          1HB       ASP  52  -1.690  16.657   1.000
  388    H    TYR  53           H        TYR  53  -0.978  14.535   3.815
  389    HA   TYR  53           HA       TYR  53  -1.754  12.457   4.221
  390   1HB   TYR  53          2HB       TYR  53  -4.586  13.423   3.849
  391   2HB   TYR  53          1HB       TYR  53  -4.015  12.070   4.802
  392    HD1  TYR  53           1HD      TYR  53  -3.348  12.375   7.099
  393    HD2  TYR  53           2HD      TYR  53  -4.416  15.736   4.725
  394    HE1  TYR  53           1HE      TYR  53  -3.559  13.741   9.132
  395    HE2  TYR  53           2HE      TYR  53  -4.610  17.113   6.748
  396    HH   TYR  53           HH       TYR  53  -3.340  16.462   9.551
  397    H    LEU  54           H        LEU  54  -0.986  11.501   2.271
  398    HA   LEU  54           HA       LEU  54  -3.093  11.177   0.253
  399   1HB   LEU  54          2HB       LEU  54  -1.712  12.928  -0.674
  400   2HB   LEU  54          1HB       LEU  54  -0.264  11.983  -0.415
  401    HG   LEU  54           HG       LEU  54  -2.425  10.922  -2.190
  402   1HD1  LEU  54          1HD1      LEU  54  -0.536  12.129  -3.844
  403   2HD1  LEU  54          2HD1      LEU  54  -0.915  13.346  -2.624
  404   3HD1  LEU  54          3HD1      LEU  54  -2.206  12.637  -3.595
  405   1HD2  LEU  54          1HD2      LEU  54   0.523  10.530  -1.852
  406   2HD2  LEU  54          2HD2      LEU  54  -0.280  10.101  -3.364
  407   3HD2  LEU  54          3HD2      LEU  54  -0.769   9.330  -1.854
  408    H    ASN  55           H        ASN  55  -3.330   9.196  -0.476
  409    HA   ASN  55           HA       ASN  55  -1.158   7.261  -0.279
  410   1HB   ASN  55          2HB       ASN  55  -3.864   6.830   1.009
  411   2HB   ASN  55          1HB       ASN  55  -2.618   5.600   0.838
  412   1HD2  ASN  55          1HD2      ASN  55  -1.374   5.304   2.530
  413   2HD2  ASN  55          2HD2      ASN  55  -1.051   6.457   3.776
  414    H    ALA  56           H        ALA  56  -1.481   5.385  -1.593
  415    HA   ALA  56           HA       ALA  56  -3.827   5.111  -3.217
  416   1HB   ALA  56          1HB       ALA  56  -1.371   6.387  -4.348
  417   2HB   ALA  56          2HB       ALA  56  -3.064   6.833  -4.562
  418   3HB   ALA  56          3HB       ALA  56  -2.420   5.405  -5.371
  419    H    ALA  57           H        ALA  57  -3.957   3.112  -4.182
  420    HA   ALA  57           HA       ALA  57  -1.747   1.279  -3.555
  421   1HB   ALA  57          1HB       ALA  57  -4.661   1.067  -3.575
  422   2HB   ALA  57          2HB       ALA  57  -3.462   0.176  -2.638
  423   3HB   ALA  57          3HB       ALA  57  -3.828  -0.311  -4.294
  424    H    VAL  58           H        VAL  58  -1.242  -0.437  -5.092
  425    HA   VAL  58           HA       VAL  58  -2.052  -0.065  -7.853
  426    HB   VAL  58           HB       VAL  58   0.309  -0.019  -8.671
  427   1HG1  VAL  58          1HG1      VAL  58  -0.855   2.282  -7.144
  428   2HG1  VAL  58          2HG1      VAL  58  -0.819   2.008  -8.886
  429   3HG1  VAL  58          3HG1      VAL  58   0.660   2.444  -8.031
  430   1HG2  VAL  58          1HG2      VAL  58   1.740   1.189  -6.696
  431   2HG2  VAL  58          2HG2      VAL  58   1.849  -0.522  -7.116
  432   3HG2  VAL  58          3HG2      VAL  58   0.815  -0.003  -5.783
  433    H    ALA  59           H        ALA  59  -2.270  -1.997  -8.819
  434    HA   ALA  59           HA       ALA  59  -1.467  -4.374  -7.422
  435   1HB   ALA  59          1HB       ALA  59  -2.950  -5.456  -8.726
  436   2HB   ALA  59          2HB       ALA  59  -2.438  -4.618 -10.193
  437   3HB   ALA  59          3HB       ALA  59  -3.527  -3.823  -9.055
  438    H    LEU  60           H        LEU  60   0.674  -4.728  -7.407
  439    HA   LEU  60           HA       LEU  60   2.280  -4.443  -9.809
  440   1HB   LEU  60          2HB       LEU  60   3.279  -3.729  -7.740
  441   2HB   LEU  60          1HB       LEU  60   2.933  -5.272  -6.982
  442    HG   LEU  60           HG       LEU  60   4.525  -6.331  -8.639
  443   1HD1  LEU  60          1HD1      LEU  60   4.549  -4.629 -10.334
  444   2HD1  LEU  60          2HD1      LEU  60   6.173  -4.826  -9.678
  445   3HD1  LEU  60          3HD1      LEU  60   5.187  -3.448  -9.191
  446   1HD2  LEU  60          1HD2      LEU  60   5.985  -6.243  -6.970
  447   2HD2  LEU  60          2HD2      LEU  60   4.995  -4.988  -6.229
  448   3HD2  LEU  60          3HD2      LEU  60   6.327  -4.543  -7.293
  449    H    GLU  61           H        GLU  61   2.073  -6.052 -11.274
  450    HA   GLU  61           HA       GLU  61   1.413  -8.735 -10.508
  451   1HB   GLU  61          2HB       GLU  61   0.863  -7.560 -12.728
  452   2HB   GLU  61          1HB       GLU  61   2.533  -7.868 -13.170
  453   1HG   GLU  61          2HG       GLU  61   1.165  -9.568 -14.121
  454   2HG   GLU  61          1HG       GLU  61   2.137 -10.282 -12.840
  455    H    THR  62           H        THR  62   3.008  -9.392  -9.099
  456    HA   THR  62           HA       THR  62   5.658  -9.835 -10.301
  457    HB   THR  62           HB       THR  62   5.862  -8.029  -8.721
  458    HG1  THR  62           1HG      THR  62   7.053  -9.400  -6.982
  459   1HG2  THR  62          1HG2      THR  62   3.901  -9.426  -7.227
  460   2HG2  THR  62          2HG2      THR  62   4.587  -7.827  -6.935
  461   3HG2  THR  62          3HG2      THR  62   5.348  -9.254  -6.233
  462    H    SER  63           H        SER  63   6.790 -11.664  -9.640
  463    HA   SER  63           HA       SER  63   5.117 -13.754  -8.416
  464   1HB   SER  63          2HB       SER  63   7.495 -14.038 -10.276
  465   2HB   SER  63          1HB       SER  63   6.583 -15.375  -9.576
  466    HG   SER  63           HG       SER  63   4.902 -14.927 -10.854
  467    H    LEU  64           H        LEU  64   7.258 -11.572  -7.603
  468    HA   LEU  64           HA       LEU  64   9.394 -12.887  -6.354
  469   1HB   LEU  64          2HB       LEU  64   8.904 -10.366  -6.842
  470   2HB   LEU  64          1HB       LEU  64   8.165 -10.383  -5.257
  471    HG   LEU  64           HG       LEU  64  10.518  -9.551  -5.330
  472   1HD1  LEU  64          1HD1      LEU  64  11.027 -11.684  -3.555
  473   2HD1  LEU  64          2HD1      LEU  64   9.296 -11.349  -3.496
  474   3HD1  LEU  64          3HD1      LEU  64  10.456 -10.060  -3.178
  475   1HD2  LEU  64          1HD2      LEU  64  11.743 -12.161  -5.307
  476   2HD2  LEU  64          2HD2      LEU  64  12.172 -10.723  -6.233
  477   3HD2  LEU  64          3HD2      LEU  64  10.952 -11.838  -6.850
  478    H    ALA  65           H        ALA  65   9.740 -13.412  -4.136
  479    HA   ALA  65           HA       ALA  65   7.755 -14.902  -2.915
  480   1HB   ALA  65          1HB       ALA  65   9.840 -13.705  -1.178
  481   2HB   ALA  65          2HB       ALA  65  10.371 -14.707  -2.528
  482   3HB   ALA  65          3HB       ALA  65   9.292 -15.376  -1.304
  483    HA   PRO  66           HA       PRO  66   4.925 -11.950  -1.184
  484   1HB   PRO  66          2HB       PRO  66   4.657 -13.955   0.977
  485   2HB   PRO  66          1HB       PRO  66   3.421 -13.220  -0.042
  486   1HG   PRO  66          2HG       PRO  66   4.277 -15.761  -0.370
  487   2HG   PRO  66          1HG       PRO  66   3.685 -14.760  -1.707
  488   1HD   PRO  66          2HD       PRO  66   6.436 -15.612  -1.062
  489   2HD   PRO  66          1HD       PRO  66   5.736 -15.124  -2.618
  490    H    GLU  67           H        GLU  67   7.610 -13.313   0.523
  491    HA   GLU  67           HA       GLU  67   7.287 -11.433   2.722
  492   1HB   GLU  67          2HB       GLU  67   9.403 -12.715   3.542
  493   2HB   GLU  67          1HB       GLU  67   7.813 -13.469   3.638
  494   1HG   GLU  67          2HG       GLU  67   8.239 -14.674   1.600
  495   2HG   GLU  67          1HG       GLU  67   9.804 -13.904   1.425
  496    H    GLU  68           H        GLU  68   9.395 -12.068   0.004
  497    HA   GLU  68           HA       GLU  68  11.235 -10.001   0.868
  498   1HB   GLU  68          2HB       GLU  68  12.075 -12.061  -0.225
  499   2HB   GLU  68          1HB       GLU  68  11.268 -11.569  -1.707
  500   1HG   GLU  68          2HG       GLU  68  12.667  -9.651  -1.924
  501   2HG   GLU  68          1HG       GLU  68  13.358  -9.904  -0.323
  502    H    LEU  69           H        LEU  69   8.463 -10.260  -1.191
  503    HA   LEU  69           HA       LEU  69   8.970  -8.143  -2.963
  504   1HB   LEU  69          2HB       LEU  69   7.112  -9.757  -3.180
  505   2HB   LEU  69          1HB       LEU  69   6.307  -9.005  -1.826
  506    HG   LEU  69           HG       LEU  69   5.391  -8.377  -4.063
  507   1HD1  LEU  69          1HD1      LEU  69   4.682  -6.487  -3.148
  508   2HD1  LEU  69          2HD1      LEU  69   6.291  -5.767  -3.233
  509   3HD1  LEU  69          3HD1      LEU  69   5.843  -6.762  -1.848
  510   1HD2  LEU  69          1HD2      LEU  69   8.137  -7.207  -4.379
  511   2HD2  LEU  69          2HD2      LEU  69   6.752  -6.624  -5.301
  512   3HD2  LEU  69          3HD2      LEU  69   7.275  -8.300  -5.460
  513    H    LEU  70           H        LEU  70   6.907  -8.035  -0.016
  514    HA   LEU  70           HA       LEU  70   6.726  -5.272   0.186
  515   1HB   LEU  70          2HB       LEU  70   5.432  -6.666   1.661
  516   2HB   LEU  70          1HB       LEU  70   6.875  -7.391   2.338
  517    HG   LEU  70           HG       LEU  70   6.339  -4.456   2.691
  518   1HD1  LEU  70          1HD1      LEU  70   4.337  -5.321   3.531
  519   2HD1  LEU  70          2HD1      LEU  70   5.381  -5.193   4.947
  520   3HD1  LEU  70          3HD1      LEU  70   5.128  -6.760   4.179
  521   1HD2  LEU  70          1HD2      LEU  70   8.094  -6.525   3.904
  522   2HD2  LEU  70          2HD2      LEU  70   7.505  -5.221   4.935
  523   3HD2  LEU  70          3HD2      LEU  70   8.443  -4.847   3.489
  524    H    ASN  71           H        ASN  71   9.102  -7.471   1.589
  525    HA   ASN  71           HA       ASN  71  10.794  -5.678   2.825
  526   1HB   ASN  71          2HB       ASN  71  11.055  -8.124   2.972
  527   2HB   ASN  71          1HB       ASN  71  11.618  -8.162   1.304
  528   1HD2  ASN  71          1HD2      ASN  71  12.560  -8.075   4.468
  529   2HD2  ASN  71          2HD2      ASN  71  14.182  -7.518   4.263
  530    H    HIS  72           H        HIS  72  10.482  -6.390  -0.599
  531    HA   HIS  72           HA       HIS  72  12.834  -4.947  -1.382
  532   1HB   HIS  72          2HB       HIS  72  10.521  -6.168  -2.840
  533   2HB   HIS  72          1HB       HIS  72  11.531  -4.994  -3.672
  534    HD1  HIS  72           1HD      HIS  72  14.305  -5.776  -2.896
  535    HD2  HIS  72           2HD      HIS  72  11.352  -8.572  -3.734
  536    HE1  HIS  72           1HE      HIS  72  15.532  -7.864  -3.573
  537    HE2  HIS  72           2HE      HIS  72  13.720  -9.500  -4.198
  538    H    THR  73           H        THR  73   9.343  -4.324  -1.392
  539    HA   THR  73           HA       THR  73   9.450  -1.730  -2.450
  540    HB   THR  73           HB       THR  73   7.234  -1.413  -1.469
  541    HG1  THR  73           1HG      THR  73   6.683  -3.636  -0.290
  542   1HG2  THR  73          1HG2      THR  73   6.828  -4.209  -2.066
  543   2HG2  THR  73          2HG2      THR  73   7.859  -3.413  -3.255
  544   3HG2  THR  73          3HG2      THR  73   6.252  -2.773  -2.911
  545    H    GLN  74           H        GLN  74  10.444  -2.994   0.546
  546    HA   GLN  74           HA       GLN  74  10.212  -0.681   2.175
  547   1HB   GLN  74          2HB       GLN  74  12.078  -3.061   2.352
  548   2HB   GLN  74          1HB       GLN  74  11.922  -1.828   3.598
  549   1HG   GLN  74          2HG       GLN  74   9.786  -3.728   2.665
  550   2HG   GLN  74          1HG       GLN  74  10.649  -3.774   4.202
  551   1HE2  GLN  74          1HE2      GLN  74   7.846  -2.878   2.754
  552   2HE2  GLN  74          2HE2      GLN  74   7.299  -1.694   3.886
  553    H    ARG  75           H        ARG  75  12.654  -1.933  -0.012
  554    HA   ARG  75           HA       ARG  75  14.708  -0.101   0.624
  555   1HB   ARG  75          2HB       ARG  75  15.071  -2.218  -0.593
  556   2HB   ARG  75          1HB       ARG  75  14.207  -1.565  -1.975
  557   1HG   ARG  75          2HG       ARG  75  15.915   0.125  -2.276
  558   2HG   ARG  75          1HG       ARG  75  16.760  -0.445  -0.835
  559   1HD   ARG  75          2HD       ARG  75  17.034  -2.652  -1.922
  560   2HD   ARG  75          1HD       ARG  75  16.288  -1.997  -3.378
  561    HE   ARG  75           HE       ARG  75  18.986  -1.726  -2.616
  562   1HH1  ARG  75          1HH1      ARG  75  16.379   0.116  -4.018
  563   2HH1  ARG  75          2HH1      ARG  75  17.432   1.178  -4.892
  564   1HH2  ARG  75          1HH2      ARG  75  20.373  -0.336  -3.760
  565   2HH2  ARG  75          2HH2      ARG  75  19.702   0.922  -4.746
  566    H    ILE  76           H        ILE  76  11.764   0.226  -1.049
  567    HA   ILE  76           HA       ILE  76  12.502   2.362  -2.800
  568    HB   ILE  76           HB       ILE  76   9.760   1.662  -1.720
  569   1HG1  ILE  76          2HG1      ILE  76  11.126   0.826  -4.293
  570   2HG1  ILE  76          1HG1      ILE  76  10.808  -0.221  -2.914
  571   1HG2  ILE  76          1HG2      ILE  76  10.222   3.031  -4.325
  572   2HG2  ILE  76          2HG2      ILE  76  10.324   3.974  -2.838
  573   3HG2  ILE  76          3HG2      ILE  76   8.837   3.113  -3.234
  574   1HD1  ILE  76          1HD1      ILE  76   9.235  -0.391  -4.891
  575   2HD1  ILE  76          2HD1      ILE  76   8.608   1.179  -4.390
  576   3HD1  ILE  76          3HD1      ILE  76   8.500  -0.202  -3.298
  577    H    GLU  77           H        GLU  77  11.595   1.997   0.492
  578    HA   GLU  77           HA       GLU  77  10.960   4.736   1.024
  579   1HB   GLU  77          2HB       GLU  77  11.741   2.487   2.892
  580   2HB   GLU  77          1HB       GLU  77  11.054   4.027   3.380
  581   1HG   GLU  77          2HG       GLU  77   8.987   3.521   2.272
  582   2HG   GLU  77          1HG       GLU  77   9.668   2.038   1.604
  583    H    LEU  78           H        LEU  78  13.757   2.628   1.431
  584    HA   LEU  78           HA       LEU  78  15.464   4.423   2.738
  585   1HB   LEU  78          2HB       LEU  78  16.032   2.115   0.884
  586   2HB   LEU  78          1HB       LEU  78  17.289   2.984   1.740
  587    HG   LEU  78           HG       LEU  78  15.033   1.455   3.047
  588   1HD1  LEU  78          1HD1      LEU  78  17.258   0.425   1.800
  589   2HD1  LEU  78          2HD1      LEU  78  16.310  -0.373   3.055
  590   3HD1  LEU  78          3HD1      LEU  78  17.757   0.538   3.487
  591   1HD2  LEU  78          1HD2      LEU  78  16.387   1.784   5.099
  592   2HD2  LEU  78          2HD2      LEU  78  15.743   3.287   4.437
  593   3HD2  LEU  78          3HD2      LEU  78  17.439   2.869   4.192
  594    H    GLN  79           H        GLN  79  15.459   3.505  -0.704
  595    HA   GLN  79           HA       GLN  79  17.260   5.458  -1.564
  596   1HB   GLN  79          2HB       GLN  79  16.415   5.003  -3.808
  597   2HB   GLN  79          1HB       GLN  79  16.659   3.516  -2.901
  598   1HG   GLN  79          2HG       GLN  79  14.631   3.005  -3.669
  599   2HG   GLN  79          1HG       GLN  79  14.076   4.006  -2.334
  600   1HE2  GLN  79          1HE2      GLN  79  13.979   3.520  -5.629
  601   2HE2  GLN  79          2HE2      GLN  79  13.278   5.027  -6.098
  602    H    GLN  80           H        GLN  80  13.830   5.689  -0.934
  603    HA   GLN  80           HA       GLN  80  13.329   8.070  -2.358
  604   1HB   GLN  80          2HB       GLN  80  11.607   6.456  -1.517
  605   2HB   GLN  80          1HB       GLN  80  11.916   7.044   0.109
  606   1HG   GLN  80          2HG       GLN  80   9.914   8.026  -0.921
  607   2HG   GLN  80          1HG       GLN  80  11.120   9.229  -0.477
  608   1HE2  GLN  80          1HE2      GLN  80   9.086   8.175  -2.863
  609   2HE2  GLN  80          2HE2      GLN  80   9.793   8.993  -4.206
  610    H    GLY  81           H        GLY  81  15.288   7.527   0.260
  611   1HA   GLY  81          2HA       GLY  81  16.476   9.001   1.574
  612   2HA   GLY  81          1HA       GLY  81  15.655  10.322   0.751
  613    H    ARG  82           H        ARG  82  14.117   7.660   2.449
  614    HA   ARG  82           HA       ARG  82  12.310   9.263   3.829
  615   1HB   ARG  82          2HB       ARG  82  11.760   7.302   5.128
  616   2HB   ARG  82          1HB       ARG  82  12.023   6.837   3.453
  617   1HG   ARG  82          2HG       ARG  82  14.216   5.984   3.997
  618   2HG   ARG  82          1HG       ARG  82  14.045   6.539   5.664
  619   1HD   ARG  82          2HD       ARG  82  12.105   5.046   5.933
  620   2HD   ARG  82          1HD       ARG  82  12.344   4.464   4.288
  621    HE   ARG  82           HE       ARG  82  14.737   4.099   5.654
  622   1HH1  ARG  82          1HH1      ARG  82  11.452   2.938   5.789
  623   2HH1  ARG  82          2HH1      ARG  82  11.889   1.393   6.438
  624   1HH2  ARG  82          1HH2      ARG  82  15.320   2.070   6.513
  625   2HH2  ARG  82          2HH2      ARG  82  14.087   0.900   6.850
  626    H    VAL  83           H        VAL  83  12.106   9.273   6.254
  627    HA   VAL  83           HA       VAL  83  14.689   9.688   7.583
  628    HB   VAL  83           HB       VAL  83  12.357  11.597   7.809
  629   1HG1  VAL  83          1HG1      VAL  83  13.436  12.075   9.723
  630   2HG1  VAL  83          2HG1      VAL  83  14.561  12.928   8.666
  631   3HG1  VAL  83          3HG1      VAL  83  14.925  11.289   9.202
  632   1HG2  VAL  83          1HG2      VAL  83  13.969  11.363   5.621
  633   2HG2  VAL  83          2HG2      VAL  83  14.847  12.555   6.585
  634   3HG2  VAL  83          3HG2      VAL  83  13.169  12.853   6.130
  635    H    ARG  84           H        ARG  84  14.644   8.106   9.057
  636    HA   ARG  84           HA       ARG  84  12.344   7.001  10.223
  637   1HB   ARG  84          2HB       ARG  84  15.245   6.909  11.023
  638   2HB   ARG  84          1HB       ARG  84  13.996   6.043  11.907
  639   1HG   ARG  84          2HG       ARG  84  15.072   4.542  10.379
  640   2HG   ARG  84          1HG       ARG  84  13.420   4.833   9.830
  641   1HD   ARG  84          2HD       ARG  84  15.061   4.842   7.987
  642   2HD   ARG  84          1HD       ARG  84  14.206   6.376   8.149
  643    HE   ARG  84           HE       ARG  84  16.583   6.527   9.619
  644   1HH1  ARG  84          1HH1      ARG  84  15.533   6.284   6.306
  645   2HH1  ARG  84          2HH1      ARG  84  16.905   7.128   5.673
  646   1HH2  ARG  84          1HH2      ARG  84  18.395   7.639   8.796
  647   2HH2  ARG  84          2HH2      ARG  84  18.534   7.898   7.089
  648    H    LYS  85           H        LYS  85  13.512  10.028  10.755
  649    HA   LYS  85           HA       LYS  85  13.419  10.301  13.555
  650   1HB   LYS  85          2HB       LYS  85  14.372  11.989  12.005
  651   2HB   LYS  85          1HB       LYS  85  12.746  12.369  11.455
  652   1HG   LYS  85          2HG       LYS  85  13.501  14.024  13.042
  653   2HG   LYS  85          1HG       LYS  85  12.162  13.100  13.725
  654   1HD   LYS  85          2HD       LYS  85  13.791  11.711  14.956
  655   2HD   LYS  85          1HD       LYS  85  15.098  12.707  14.314
  656   1HE   LYS  85          2HE       LYS  85  12.834  13.658  16.066
  657   2HE   LYS  85          1HE       LYS  85  14.498  13.384  16.581
  658   1HZ   LYS  85          1HZ       LYS  85  13.664  15.361  14.528
  659   2HZ   LYS  85          2HZ       LYS  85  15.230  15.136  15.123
  660   3HZ   LYS  85          3HZ       LYS  85  14.017  15.731  16.140
  661    H    ALA  86           H        ALA  86  10.967   9.628  11.345
  662    HA   ALA  86           HA       ALA  86   8.880  10.664  13.142
  663   1HB   ALA  86          1HB       ALA  86   7.728  11.256  11.341
  664   2HB   ALA  86          2HB       ALA  86   7.894   9.649  10.631
  665   3HB   ALA  86          3HB       ALA  86   9.155  10.857  10.382
  666    H    GLU  87           H        GLU  87   6.785   9.240  12.901
  667    HA   GLU  87           HA       GLU  87   7.350   6.763  14.127
  668   1HB   GLU  87          2HB       GLU  87   5.276   8.193  14.421
  669   2HB   GLU  87          1HB       GLU  87   4.723   7.513  12.896
  670   1HG   GLU  87          2HG       GLU  87   3.724   6.278  14.670
  671   2HG   GLU  87          1HG       GLU  87   4.927   5.248  13.900
  672    H    ARG  88           H        ARG  88   8.135   5.016  13.161
  673    HA   ARG  88           HA       ARG  88   8.142   4.588  10.396
  674   1HB   ARG  88          2HB       ARG  88   9.689   3.399  11.848
  675   2HB   ARG  88          1HB       ARG  88   8.355   2.582  12.654
  676   1HG   ARG  88          2HG       ARG  88   7.809   1.390  10.621
  677   2HG   ARG  88          1HG       ARG  88   9.065   2.265   9.745
  678   1HD   ARG  88          2HD       ARG  88  10.778   1.253  11.121
  679   2HD   ARG  88          1HD       ARG  88   9.554   0.456  12.108
  680    HE   ARG  88           HE       ARG  88   9.547  -1.209  10.566
  681   1HH1  ARG  88          1HH1      ARG  88  10.530   1.725   8.954
  682   2HH1  ARG  88          2HH1      ARG  88  10.705   0.965   7.406
  683   1HH2  ARG  88          1HH2      ARG  88   9.774  -2.210   8.534
  684   2HH2  ARG  88          2HH2      ARG  88  10.276  -1.268   7.169
  685    H    TRP  89           H        TRP  89   5.830   3.919  12.882
  686    HA   TRP  89           HA       TRP  89   4.146   2.213  11.311
  687   1HB   TRP  89          2HB       TRP  89   4.110   2.179  13.795
  688   2HB   TRP  89          1HB       TRP  89   3.500   3.831  13.795
  689    HD1  TRP  89           HD       TRP  89   2.367   0.488  12.152
  690    HE1  TRP  89           1HE      TRP  89  -0.187   0.312  12.420
  691    HE3  TRP  89           3HE      TRP  89   1.500   4.909  14.566
  692    HZ2  TRP  89           2HZ      TRP  89  -2.292   1.849  13.510
  693    HZ3  TRP  89           3HZ      TRP  89  -0.811   5.484  15.184
  694    HH2  TRP  89           HH       TRP  89  -2.667   3.983  14.666
  695    H    GLY  90           H        GLY  90   4.469   5.630  12.010
  696   1HA   GLY  90          2HA       GLY  90   2.060   6.420  10.707
  697   2HA   GLY  90          1HA       GLY  90   3.343   7.471  11.242
  698    HA   PRO  91           HA       PRO  91   3.058   6.768   6.371
  699   1HB   PRO  91          2HB       PRO  91   3.117   9.630   6.238
  700   2HB   PRO  91          1HB       PRO  91   1.802   8.558   5.749
  701   1HG   PRO  91          2HG       PRO  91   2.182  10.050   8.287
  702   2HG   PRO  91          1HG       PRO  91   0.682   9.580   7.468
  703   1HD   PRO  91          2HD       PRO  91   1.475   8.324   9.680
  704   2HD   PRO  91          1HD       PRO  91   0.755   7.414   8.334
  705    H    ARG  92           H        ARG  92   4.547   9.103   8.528
  706    HA   ARG  92           HA       ARG  92   6.645   9.871   8.809
  707   1HB   ARG  92          2HB       ARG  92   7.059   7.447   9.131
  708   2HB   ARG  92          1HB       ARG  92   7.447   7.321   7.423
  709   1HG   ARG  92          2HG       ARG  92   8.955   9.345   8.931
  710   2HG   ARG  92          1HG       ARG  92   9.269   7.666   9.365
  711   1HD   ARG  92          2HD       ARG  92   9.211   8.393   6.485
  712   2HD   ARG  92          1HD       ARG  92  10.607   8.874   7.441
  713    HE   ARG  92           HE       ARG  92  11.272   6.684   7.519
  714   1HH1  ARG  92          1HH1      ARG  92   7.994   6.819   6.334
  715   2HH1  ARG  92          2HH1      ARG  92   7.896   5.113   6.052
  716   1HH2  ARG  92          1HH2      ARG  92  11.146   4.447   7.139
  717   2HH2  ARG  92          2HH2      ARG  92   9.686   3.770   6.503
  718    H    THR  93           H        THR  93   7.208   8.197   5.853
  719    HA   THR  93           HA       THR  93   7.215  10.619   4.266
  720    HB   THR  93           HB       THR  93   9.475  10.265   3.367
  721    HG1  THR  93           1HG      THR  93  10.694   8.803   5.058
  722   1HG2  THR  93          1HG2      THR  93   9.649  11.869   4.992
  723   2HG2  THR  93          2HG2      THR  93  10.791  10.656   5.568
  724   3HG2  THR  93          3HG2      THR  93   9.186  10.766   6.288
  725    H    LEU  94           H        LEU  94   7.816   7.149   4.429
  726    HA   LEU  94           HA       LEU  94   6.097   6.644   2.183
  727   1HB   LEU  94          2HB       LEU  94   8.140   7.278   0.991
  728   2HB   LEU  94          1HB       LEU  94   9.073   6.127   1.927
  729    HG   LEU  94           HG       LEU  94   7.804   4.276   0.902
  730   1HD1  LEU  94          1HD1      LEU  94   6.543   6.454  -0.755
  731   2HD1  LEU  94          2HD1      LEU  94   5.727   5.468   0.458
  732   3HD1  LEU  94          3HD1      LEU  94   6.356   4.719  -1.010
  733   1HD2  LEU  94          1HD2      LEU  94   9.913   5.471  -0.101
  734   2HD2  LEU  94          2HD2      LEU  94   8.782   5.929  -1.377
  735   3HD2  LEU  94          3HD2      LEU  94   9.062   4.226  -1.016
  736    H    ASP  95           H        ASP  95   5.148   4.748   2.516
  737    HA   ASP  95           HA       ASP  95   6.552   2.550   3.751
  738   1HB   ASP  95          2HB       ASP  95   4.825   2.266   5.544
  739   2HB   ASP  95          1HB       ASP  95   5.856   3.679   5.754
  740    H    LEU  96           H        LEU  96   6.153   1.511   1.822
  741    HA   LEU  96           HA       LEU  96   3.341   0.909   1.232
  742   1HB   LEU  96          2HB       LEU  96   4.091   0.306  -1.029
  743   2HB   LEU  96          1HB       LEU  96   4.493   1.957  -0.621
  744    HG   LEU  96           HG       LEU  96   6.489  -0.297  -0.462
  745   1HD1  LEU  96          1HD1      LEU  96   6.444  -0.340  -2.689
  746   2HD1  LEU  96          2HD1      LEU  96   7.122   1.286  -2.641
  747   3HD1  LEU  96          3HD1      LEU  96   5.379   1.061  -2.771
  748   1HD2  LEU  96          1HD2      LEU  96   6.511   2.526   0.188
  749   2HD2  LEU  96          2HD2      LEU  96   7.737   2.123  -1.013
  750   3HD2  LEU  96          3HD2      LEU  96   7.710   1.280   0.536
  751    H    ASP  97           H        ASP  97   2.813  -0.845   2.377
  752    HA   ASP  97           HA       ASP  97   4.655  -3.142   2.352
  753   1HB   ASP  97          2HB       ASP  97   2.426  -2.519   4.306
  754   2HB   ASP  97          1HB       ASP  97   3.526  -3.889   4.395
  755    H    ILE  98           H        ILE  98   3.828  -5.245   2.049
  756    HA   ILE  98           HA       ILE  98   1.891  -5.528   0.043
  757    HB   ILE  98           HB       ILE  98   3.067  -7.560   1.953
  758   1HG1  ILE  98          2HG1      ILE  98   3.577  -7.065  -0.987
  759   2HG1  ILE  98          1HG1      ILE  98   4.624  -6.546   0.325
  760   1HG2  ILE  98          1HG2      ILE  98   0.755  -8.150   1.048
  761   2HG2  ILE  98          2HG2      ILE  98   2.049  -9.314   0.762
  762   3HG2  ILE  98          3HG2      ILE  98   1.524  -8.244  -0.537
  763   1HD1  ILE  98          1HD1      ILE  98   5.289  -8.633  -0.913
  764   2HD1  ILE  98          2HD1      ILE  98   3.911  -9.419  -0.148
  765   3HD1  ILE  98          3HD1      ILE  98   5.212  -8.760   0.844
  766    H    MET  99           H        MET  99  -0.038  -4.520   0.651
  767    HA   MET  99           HA       MET  99  -1.385  -5.140   3.106
  768   1HB   MET  99          2HB       MET  99  -2.452  -3.799   0.614
  769   2HB   MET  99          1HB       MET  99  -3.219  -3.801   2.197
  770   1HG   MET  99          2HG       MET  99  -0.608  -2.507   1.455
  771   2HG   MET  99          1HG       MET  99  -2.126  -1.698   1.839
  772   1HE   MET  99          1HE       MET  99  -2.746  -3.610   5.041
  773   2HE   MET  99          2HE       MET  99  -3.420  -2.505   3.843
  774   3HE   MET  99          3HE       MET  99  -2.735  -1.871   5.340
  775    H    LEU 100           H        LEU 100  -1.506  -6.324  -0.179
  776    HA   LEU 100           HA       LEU 100  -3.098  -8.591   0.683
  777   1HB   LEU 100          2HB       LEU 100  -4.261  -6.396  -0.744
  778   2HB   LEU 100          1HB       LEU 100  -4.191  -7.773  -1.824
  779    HG   LEU 100           HG       LEU 100  -5.490  -7.764   0.896
  780   1HD1  LEU 100          1HD1      LEU 100  -6.461  -7.145  -1.807
  781   2HD1  LEU 100          2HD1      LEU 100  -7.088  -6.656  -0.233
  782   3HD1  LEU 100          3HD1      LEU 100  -7.467  -8.253  -0.875
  783   1HD2  LEU 100          1HD2      LEU 100  -6.108  -9.968   0.554
  784   2HD2  LEU 100          2HD2      LEU 100  -4.459  -9.936  -0.071
  785   3HD2  LEU 100          3HD2      LEU 100  -5.827  -9.884  -1.183
  786    H    PHE 101           H        PHE 101  -1.614 -10.166   0.095
  787    HA   PHE 101           HA       PHE 101  -0.333  -9.822  -2.514
  788   1HB   PHE 101          2HB       PHE 101   0.859 -10.532  -0.266
  789   2HB   PHE 101          1HB       PHE 101   0.335 -12.136  -0.757
  790    HD1  PHE 101           1HD      PHE 101   1.851 -13.368  -1.959
  791    HD2  PHE 101           2HD      PHE 101   1.893  -9.131  -2.322
  792    HE1  PHE 101           1HE      PHE 101   3.764 -13.523  -3.499
  793    HE2  PHE 101           2HE      PHE 101   3.808  -9.277  -3.859
  794    HZ   PHE 101           HZ       PHE 101   4.746 -11.475  -4.451
  795    H    GLY 102           H        GLY 102   0.052 -12.057  -3.661
  796   1HA   GLY 102          2HA       GLY 102  -2.359 -12.815  -4.797
  797   2HA   GLY 102          1HA       GLY 102  -0.866 -13.715  -4.942
  798    H    ASN 103           H        ASN 103  -3.780 -13.306  -3.013
  799    HA   ASN 103           HA       ASN 103  -4.825 -14.657  -1.476
  800   1HB   ASN 103          2HB       ASN 103  -5.404 -16.862  -2.429
  801   2HB   ASN 103          1HB       ASN 103  -5.615 -15.547  -3.579
  802   1HD2  ASN 103          1HD2      ASN 103  -3.963 -18.441  -2.821
  803   2HD2  ASN 103          2HD2      ASN 103  -3.063 -18.576  -4.288
  804    H    GLU 104           H        GLU 104  -1.820 -14.592  -1.087
  805    HA   GLU 104           HA       GLU 104  -1.607 -17.187   0.246
  806   1HB   GLU 104          2HB       GLU 104   0.905 -16.477   0.201
  807   2HB   GLU 104          1HB       GLU 104   0.158 -17.307  -1.141
  808   1HG   GLU 104          2HG       GLU 104  -0.300 -14.786  -1.878
  809   2HG   GLU 104          1HG       GLU 104   1.146 -14.534  -0.902
  810    H    VAL 105           H        VAL 105  -1.456 -17.254   2.321
  811    HA   VAL 105           HA       VAL 105  -1.237 -14.741   3.801
  812    HB   VAL 105           HB       VAL 105  -2.382 -17.430   4.494
  813   1HG1  VAL 105          1HG1      VAL 105  -3.035 -16.247   6.682
  814   2HG1  VAL 105          2HG1      VAL 105  -1.747 -15.104   6.297
  815   3HG1  VAL 105          3HG1      VAL 105  -1.372 -16.812   6.529
  816   1HG2  VAL 105          1HG2      VAL 105  -4.392 -15.903   4.954
  817   2HG2  VAL 105          2HG2      VAL 105  -3.936 -16.183   3.273
  818   3HG2  VAL 105          3HG2      VAL 105  -3.488 -14.674   4.071
  819    H    ILE 106           H        ILE 106   0.905 -14.411   4.011
  820    HA   ILE 106           HA       ILE 106   2.329 -16.226   5.793
  821    HB   ILE 106           HB       ILE 106   3.550 -15.142   3.246
  822   1HG1  ILE 106          2HG1      ILE 106   2.972 -18.010   4.025
  823   2HG1  ILE 106          1HG1      ILE 106   2.005 -17.064   2.895
  824   1HG2  ILE 106          1HG2      ILE 106   5.316 -16.959   4.188
  825   2HG2  ILE 106          2HG2      ILE 106   4.676 -16.313   5.698
  826   3HG2  ILE 106          3HG2      ILE 106   5.408 -15.228   4.516
  827   1HD1  ILE 106          1HD1      ILE 106   4.827 -18.027   2.572
  828   2HD1  ILE 106          2HD1      ILE 106   4.116 -16.792   1.533
  829   3HD1  ILE 106          3HD1      ILE 106   3.415 -18.410   1.587
  830    H    ASN 107           H        ASN 107   2.430 -14.884   7.474
  831    HA   ASN 107           HA       ASN 107   3.254 -12.104   7.049
  832   1HB   ASN 107          2HB       ASN 107   2.468 -13.257   9.712
  833   2HB   ASN 107          1HB       ASN 107   2.293 -11.606   9.121
  834   1HD2  ASN 107          1HD2      ASN 107   0.431 -11.013   8.229
  835   2HD2  ASN 107          2HD2      ASN 107  -0.898 -12.063   7.901
  836    H    THR 108           H        THR 108   5.400 -11.922   6.961
  837    HA   THR 108           HA       THR 108   6.964 -13.653   8.760
  838    HB   THR 108           HB       THR 108   8.905 -13.145   7.405
  839    HG1  THR 108           1HG      THR 108   8.937 -11.595   5.970
  840   1HG2  THR 108          1HG2      THR 108   7.158 -14.840   6.615
  841   2HG2  THR 108          2HG2      THR 108   8.364 -14.274   5.458
  842   3HG2  THR 108          3HG2      THR 108   6.727 -13.619   5.417
  843    H    GLU 109           H        GLU 109   9.248 -11.624   8.304
  844    HA   GLU 109           HA       GLU 109   8.949 -10.368  10.859
  845   1HB   GLU 109          2HB       GLU 109  11.106 -10.002   8.774
  846   2HB   GLU 109          1HB       GLU 109  11.194  -9.478  10.449
  847   1HG   GLU 109          2HG       GLU 109  10.941 -12.334   9.538
  848   2HG   GLU 109          1HG       GLU 109  12.442 -11.548  10.022
  849    H    ARG 110           H        ARG 110  10.263  -8.598   8.130
  850    HA   ARG 110           HA       ARG 110   8.846  -6.223   8.904
  851   1HB   ARG 110          2HB       ARG 110  10.492  -6.720   6.409
  852   2HB   ARG 110          1HB       ARG 110  10.031  -5.157   7.068
  853   1HG   ARG 110          2HG       ARG 110  11.448  -5.442   8.960
  854   2HG   ARG 110          1HG       ARG 110  11.768  -7.125   8.535
  855   1HD   ARG 110          2HD       ARG 110  13.653  -5.722   7.929
  856   2HD   ARG 110          1HD       ARG 110  12.893  -6.387   6.487
  857    HE   ARG 110           HE       ARG 110  12.545  -4.252   5.801
  858   1HH1  ARG 110          1HH1      ARG 110  12.745  -4.238   9.282
  859   2HH1  ARG 110          2HH1      ARG 110  12.597  -2.519   9.411
  860   1HH2  ARG 110          1HH2      ARG 110  12.359  -1.988   5.963
  861   2HH2  ARG 110          2HH2      ARG 110  12.379  -1.240   7.525
  862    H    LEU 111           H        LEU 111   8.340  -8.885   6.900
  863    HA   LEU 111           HA       LEU 111   6.415  -7.548   5.180
  864   1HB   LEU 111          2HB       LEU 111   7.773  -9.126   4.024
  865   2HB   LEU 111          1HB       LEU 111   7.550 -10.324   5.272
  866    HG   LEU 111           HG       LEU 111   6.375 -10.728   3.085
  867   1HD1  LEU 111          1HD1      LEU 111   4.111 -10.885   4.767
  868   2HD1  LEU 111          2HD1      LEU 111   5.550 -11.213   5.733
  869   3HD1  LEU 111          3HD1      LEU 111   5.225 -12.163   4.284
  870   1HD2  LEU 111          1HD2      LEU 111   5.398  -8.151   3.514
  871   2HD2  LEU 111          2HD2      LEU 111   4.025  -9.231   3.753
  872   3HD2  LEU 111          3HD2      LEU 111   4.933  -9.281   2.242
  873    H    THR 112           H        THR 112   4.299  -7.841   5.213
  874    HA   THR 112           HA       THR 112   3.065  -9.711   7.074
  875    HB   THR 112           HB       THR 112   1.390  -7.731   7.517
  876    HG1  THR 112           1HG      THR 112   3.344  -5.951   7.724
  877   1HG2  THR 112          1HG2      THR 112   3.490  -8.777   9.020
  878   2HG2  THR 112          2HG2      THR 112   2.112  -7.834   9.595
  879   3HG2  THR 112          3HG2      THR 112   3.621  -7.026   9.165
  880    H    VAL 113           H        VAL 113   1.455 -10.770   6.005
  881    HA   VAL 113           HA       VAL 113   0.772  -9.780   3.395
  882    HB   VAL 113           HB       VAL 113  -0.736 -11.876   3.359
  883   1HG1  VAL 113          1HG1      VAL 113   1.348 -13.343   3.084
  884   2HG1  VAL 113          2HG1      VAL 113   2.249 -11.865   3.420
  885   3HG1  VAL 113          3HG1      VAL 113   1.155 -11.937   2.038
  886   1HG2  VAL 113          1HG2      VAL 113  -0.490 -13.505   4.961
  887   2HG2  VAL 113          2HG2      VAL 113  -0.500 -12.030   5.929
  888   3HG2  VAL 113          3HG2      VAL 113   1.026 -12.835   5.563
  889    HA   PRO 114           HA       PRO 114  -3.530  -8.249   3.623
  890   1HB   PRO 114          2HB       PRO 114  -4.400 -10.964   4.563
  891   2HB   PRO 114          1HB       PRO 114  -5.234  -9.834   3.494
  892   1HG   PRO 114          2HG       PRO 114  -3.629 -11.951   2.651
  893   2HG   PRO 114          1HG       PRO 114  -4.107 -10.564   1.660
  894   1HD   PRO 114          2HD       PRO 114  -1.484 -11.224   2.478
  895   2HD   PRO 114          1HD       PRO 114  -2.003  -9.692   1.746
  896    H    HIS 115           H        HIS 115  -2.701  -7.000   5.340
  897    HA   HIS 115           HA       HIS 115  -2.676  -7.945   8.031
  898   1HB   HIS 115          2HB       HIS 115  -1.132  -6.211   7.101
  899   2HB   HIS 115          1HB       HIS 115  -2.501  -5.115   6.974
  900    HD1  HIS 115           1HD      HIS 115  -3.817  -5.279   9.643
  901    HD2  HIS 115           2HD      HIS 115   0.313  -5.348   9.184
  902    HE1  HIS 115           1HE      HIS 115  -2.883  -4.511  11.848
  903    HE2  HIS 115           2HE      HIS 115  -0.385  -4.501  11.528
  904    H    TYR 116           H        TYR 116  -4.363  -8.070   9.345
  905    HA   TYR 116           HA       TYR 116  -6.949  -7.239   8.655
  906   1HB   TYR 116          2HB       TYR 116  -7.234  -7.410  11.293
  907   2HB   TYR 116          1HB       TYR 116  -7.048  -8.843  10.294
  908    HD1  TYR 116           1HD      TYR 116  -4.388  -6.473  11.318
  909    HD2  TYR 116           2HD      TYR 116  -6.046 -10.361  11.840
  910    HE1  TYR 116           1HE      TYR 116  -2.435  -7.124  12.659
  911    HE2  TYR 116           2HE      TYR 116  -4.096 -11.018  13.179
  912    HH   TYR 116           HH       TYR 116  -1.437  -8.741  13.801
  913    H    ASP 117           H        ASP 117  -6.895  -5.122   7.976
  914    HA   ASP 117           HA       ASP 117  -7.299  -3.112   9.932
  915   1HB   ASP 117          2HB       ASP 117  -4.728  -3.500   9.872
  916   2HB   ASP 117          1HB       ASP 117  -4.799  -2.702   8.308
  917    H    MET 118           H        MET 118  -5.972  -3.542   6.671
  918    HA   MET 118           HA       MET 118  -6.966  -1.280   5.452
  919   1HB   MET 118          2HB       MET 118  -6.731  -2.530   3.344
  920   2HB   MET 118          1HB       MET 118  -5.341  -2.727   4.401
  921   1HG   MET 118          2HG       MET 118  -6.173  -4.916   5.090
  922   2HG   MET 118          1HG       MET 118  -7.573  -4.714   4.037
  923   1HE   MET 118          1HE       MET 118  -7.048  -3.582   1.779
  924   2HE   MET 118          2HE       MET 118  -6.744  -4.960   0.723
  925   3HE   MET 118          3HE       MET 118  -5.517  -3.710   0.916
  926    H    LYS 119           H        LYS 119  -8.514  -4.433   5.772
  927    HA   LYS 119           HA       LYS 119 -10.815  -3.796   4.247
  928   1HB   LYS 119          2HB       LYS 119 -11.733  -5.872   5.427
  929   2HB   LYS 119          1HB       LYS 119 -10.297  -6.071   4.428
  930   1HG   LYS 119          2HG       LYS 119  -8.891  -5.978   6.419
  931   2HG   LYS 119          1HG       LYS 119 -10.332  -5.792   7.425
  932   1HD   LYS 119          2HD       LYS 119  -9.605  -8.102   7.466
  933   2HD   LYS 119          1HD       LYS 119 -11.148  -7.980   6.620
  934   1HE   LYS 119          2HE       LYS 119  -9.629  -9.483   5.450
  935   2HE   LYS 119          1HE       LYS 119  -9.971  -8.055   4.474
  936   1HZ   LYS 119          1HZ       LYS 119  -7.510  -9.014   5.002
  937   2HZ   LYS 119          2HZ       LYS 119  -7.652  -7.791   6.161
  938   3HZ   LYS 119          3HZ       LYS 119  -7.845  -7.428   4.521
  939    H    ASN 120           H        ASN 120  -9.939  -2.321   6.927
  940    HA   ASN 120           HA       ASN 120 -12.707  -2.012   7.890
  941   1HB   ASN 120          2HB       ASN 120 -10.234  -1.780   9.615
  942   2HB   ASN 120          1HB       ASN 120 -11.907  -1.755  10.151
  943   1HD2  ASN 120          1HD2      ASN 120  -9.288  -3.553  10.195
  944   2HD2  ASN 120          2HD2      ASN 120  -9.962  -5.143  10.173
  945    H    ARG 121           H        ARG 121 -10.897  -0.606   5.933
  946    HA   ARG 121           HA       ARG 121 -11.385   2.114   6.872
  947   1HB   ARG 121          2HB       ARG 121  -8.709   1.401   5.683
  948   2HB   ARG 121          1HB       ARG 121  -9.166   2.867   6.534
  949   1HG   ARG 121          2HG       ARG 121  -9.050   0.189   7.884
  950   2HG   ARG 121          1HG       ARG 121  -7.650   1.250   7.761
  951   1HD   ARG 121          2HD       ARG 121 -10.289   2.013   9.008
  952   2HD   ARG 121          1HD       ARG 121  -8.879   1.460   9.909
  953    HE   ARG 121           HE       ARG 121  -8.106   3.627   8.329
  954   1HH1  ARG 121          1HH1      ARG 121 -10.175   2.945  11.048
  955   2HH1  ARG 121          2HH1      ARG 121 -10.007   4.524  11.739
  956   1HH2  ARG 121          1HH2      ARG 121  -7.879   5.710   9.231
  957   2HH2  ARG 121          2HH2      ARG 121  -8.702   6.096  10.704
  958    H    GLY 122           H        GLY 122 -10.051   3.424   4.795
  959   1HA   GLY 122          2HA       GLY 122 -11.264   2.299   2.346
  960   2HA   GLY 122          1HA       GLY 122 -11.473   3.987   2.779
  961    H    PHE 123           H        PHE 123  -8.582   3.650   3.897
  962    HA   PHE 123           HA       PHE 123  -7.300   4.905   1.729
  963   1HB   PHE 123          2HB       PHE 123  -5.788   3.574   3.956
  964   2HB   PHE 123          1HB       PHE 123  -5.430   5.084   3.121
  965    HD1  PHE 123           1HD      PHE 123  -7.547   3.493   5.671
  966    HD2  PHE 123           2HD      PHE 123  -6.387   7.147   3.829
  967    HE1  PHE 123           1HE      PHE 123  -8.673   4.748   7.461
  968    HE2  PHE 123           2HE      PHE 123  -7.508   8.408   5.620
  969    HZ   PHE 123           HZ       PHE 123  -8.653   7.208   7.438
  970    H    MET 124           H        MET 124  -7.265   1.634   2.990
  971    HA   MET 124           HA       MET 124  -5.439   0.761   0.902
  972   1HB   MET 124          2HB       MET 124  -6.658  -0.643   3.270
  973   2HB   MET 124          1HB       MET 124  -5.686  -1.473   2.066
  974   1HG   MET 124          2HG       MET 124  -4.357  -0.908   4.001
  975   2HG   MET 124          1HG       MET 124  -3.790  -0.032   2.582
  976   1HE   MET 124          1HE       MET 124  -6.728   0.284   4.877
  977   2HE   MET 124          2HE       MET 124  -6.682   1.931   5.501
  978   3HE   MET 124          3HE       MET 124  -5.694   0.675   6.250
  979    H    LEU 125           H        LEU 125  -8.848   0.494   1.721
  980    HA   LEU 125           HA       LEU 125  -9.360  -1.571  -0.224
  981   1HB   LEU 125          2HB       LEU 125 -11.220   0.139   1.416
  982   2HB   LEU 125          1HB       LEU 125 -11.756  -1.131   0.338
  983    HG   LEU 125           HG       LEU 125 -10.064  -1.494   2.804
  984   1HD1  LEU 125          1HD1      LEU 125 -12.623  -2.863   2.623
  985   2HD1  LEU 125          2HD1      LEU 125 -12.765  -1.106   2.628
  986   3HD1  LEU 125          3HD1      LEU 125 -11.925  -1.926   3.945
  987   1HD2  LEU 125          1HD2      LEU 125  -9.388  -3.135   1.207
  988   2HD2  LEU 125          2HD2      LEU 125 -11.063  -3.477   0.775
  989   3HD2  LEU 125          3HD2      LEU 125 -10.453  -3.923   2.370
  990    H    TRP 126           H        TRP 126 -10.331   1.865   0.018
  991    HA   TRP 126           HA       TRP 126 -11.795   2.004  -2.306
  992   1HB   TRP 126          2HB       TRP 126 -11.766   3.755  -0.633
  993   2HB   TRP 126          1HB       TRP 126 -10.105   4.157  -1.045
  994    HD1  TRP 126           HD       TRP 126 -10.425   6.534  -1.892
  995    HE1  TRP 126           1HE      TRP 126 -11.696   7.622  -3.853
  996    HE3  TRP 126           3HE      TRP 126 -13.193   2.511  -3.390
  997    HZ2  TRP 126           2HZ      TRP 126 -13.621   6.868  -5.776
  998    HZ3  TRP 126           3HZ      TRP 126 -14.728   2.775  -5.295
  999    HH2  TRP 126           HH       TRP 126 -14.937   4.909  -6.460
 1000    HA   PRO 127           HA       PRO 127  -7.910   3.407  -4.869
 1001   1HB   PRO 127          2HB       PRO 127  -5.650   2.399  -3.256
 1002   2HB   PRO 127          1HB       PRO 127  -5.837   3.945  -4.091
 1003   1HG   PRO 127          2HG       PRO 127  -5.964   3.800  -1.432
 1004   2HG   PRO 127          1HG       PRO 127  -7.020   4.897  -2.345
 1005   1HD   PRO 127          2HD       PRO 127  -7.651   2.214  -1.150
 1006   2HD   PRO 127          1HD       PRO 127  -8.617   3.708  -1.129
 1007    H    LEU 128           H        LEU 128  -7.290   0.508  -2.891
 1008    HA   LEU 128           HA       LEU 128  -6.069  -1.072  -4.839
 1009   1HB   LEU 128          2HB       LEU 128  -6.795  -1.401  -2.223
 1010   2HB   LEU 128          1HB       LEU 128  -7.901  -2.478  -3.036
 1011    HG   LEU 128           HG       LEU 128  -5.852  -3.483  -4.164
 1012   1HD1  LEU 128          1HD1      LEU 128  -4.113  -2.011  -3.730
 1013   2HD1  LEU 128          2HD1      LEU 128  -3.858  -3.260  -2.512
 1014   3HD1  LEU 128          3HD1      LEU 128  -4.625  -1.737  -2.064
 1015   1HD2  LEU 128          1HD2      LEU 128  -7.185  -3.998  -1.743
 1016   2HD2  LEU 128          2HD2      LEU 128  -5.469  -4.238  -1.422
 1017   3HD2  LEU 128          3HD2      LEU 128  -6.255  -5.129  -2.724
 1018    H    PHE 129           H        PHE 129  -9.396  -0.318  -4.253
 1019    HA   PHE 129           HA       PHE 129 -10.727  -2.300  -5.682
 1020   1HB   PHE 129          2HB       PHE 129 -11.899  -0.689  -4.289
 1021   2HB   PHE 129          1HB       PHE 129 -11.399   0.637  -5.331
 1022    HD1  PHE 129           1HD      PHE 129 -12.889   1.421  -6.888
 1023    HD2  PHE 129           2HD      PHE 129 -13.272  -2.585  -5.509
 1024    HE1  PHE 129           1HE      PHE 129 -14.962   1.174  -8.192
 1025    HE2  PHE 129           2HE      PHE 129 -15.342  -2.841  -6.813
 1026    HZ   PHE 129           HZ       PHE 129 -16.190  -0.960  -8.157
 1027    H    GLU 130           H        GLU 130  -8.595   0.066  -6.841
 1028    HA   GLU 130           HA       GLU 130  -9.689  -0.048  -9.555
 1029   1HB   GLU 130          2HB       GLU 130  -9.311   2.198  -8.666
 1030   2HB   GLU 130          1HB       GLU 130  -7.622   1.809  -8.366
 1031   1HG   GLU 130          2HG       GLU 130  -7.854   3.141 -10.371
 1032   2HG   GLU 130          1HG       GLU 130  -7.256   1.530 -10.762
 1033    H    ILE 131           H        ILE 131  -6.872  -0.874  -7.633
 1034    HA   ILE 131           HA       ILE 131  -5.199  -1.445  -9.880
 1035    HB   ILE 131           HB       ILE 131  -3.567  -2.099  -8.381
 1036   1HG1  ILE 131          2HG1      ILE 131  -5.645  -2.709  -6.253
 1037   2HG1  ILE 131          1HG1      ILE 131  -4.919  -3.929  -7.296
 1038   1HG2  ILE 131          1HG2      ILE 131  -3.845   0.128  -7.889
 1039   2HG2  ILE 131          2HG2      ILE 131  -3.975  -0.605  -6.290
 1040   3HG2  ILE 131          3HG2      ILE 131  -5.430  -0.118  -7.158
 1041   1HD1  ILE 131          1HD1      ILE 131  -2.703  -3.290  -6.401
 1042   2HD1  ILE 131          2HD1      ILE 131  -3.806  -3.948  -5.194
 1043   3HD1  ILE 131          3HD1      ILE 131  -3.520  -2.210  -5.274
 1044    H    ALA 132           H        ALA 132  -7.496  -3.176  -8.004
 1045    HA   ALA 132           HA       ALA 132  -8.167  -5.093  -9.783
 1046   1HB   ALA 132          1HB       ALA 132  -6.699  -6.932  -8.209
 1047   2HB   ALA 132          2HB       ALA 132  -5.571  -5.702  -8.777
 1048   3HB   ALA 132          3HB       ALA 132  -6.546  -6.605  -9.936
 1049    HA   PRO 133           HA       PRO 133 -10.504  -5.397  -5.899
 1050   1HB   PRO 133          2HB       PRO 133 -12.798  -4.419  -6.696
 1051   2HB   PRO 133          1HB       PRO 133 -11.381  -3.345  -6.585
 1052   1HG   PRO 133          2HG       PRO 133 -12.580  -4.653  -9.014
 1053   2HG   PRO 133          1HG       PRO 133 -12.031  -2.978  -8.808
 1054   1HD   PRO 133          2HD       PRO 133 -10.524  -5.054  -9.914
 1055   2HD   PRO 133          1HD       PRO 133  -9.870  -3.527  -9.289
 1056    H    GLU 134           H        GLU 134 -10.173  -7.315  -8.370
 1057    HA   GLU 134           HA       GLU 134 -12.662  -8.848  -8.012
 1058   1HB   GLU 134          2HB       GLU 134 -11.965 -10.099 -10.019
 1059   2HB   GLU 134          1HB       GLU 134 -12.074  -8.375 -10.347
 1060   1HG   GLU 134          2HG       GLU 134  -9.648  -8.180 -10.141
 1061   2HG   GLU 134          1HG       GLU 134  -9.540  -9.908  -9.813
 1062    H    LEU 135           H        LEU 135  -9.766  -8.464  -6.763
 1063    HA   LEU 135           HA       LEU 135  -8.521 -10.933  -6.547
 1064   1HB   LEU 135          2HB       LEU 135  -7.663  -8.674  -5.918
 1065   2HB   LEU 135          1HB       LEU 135  -8.683  -8.726  -4.500
 1066    HG   LEU 135           HG       LEU 135  -6.248  -9.237  -4.178
 1067   1HD1  LEU 135          1HD1      LEU 135  -7.994  -9.788  -2.529
 1068   2HD1  LEU 135          2HD1      LEU 135  -6.657 -10.938  -2.510
 1069   3HD1  LEU 135          3HD1      LEU 135  -8.180 -11.370  -3.286
 1070   1HD2  LEU 135          1HD2      LEU 135  -6.290 -11.999  -4.668
 1071   2HD2  LEU 135          2HD2      LEU 135  -5.286 -10.775  -5.443
 1072   3HD2  LEU 135          3HD2      LEU 135  -6.839 -11.219  -6.150
 1073    H    VAL 136           H        VAL 136  -8.696 -12.623  -5.107
 1074    HA   VAL 136           HA       VAL 136 -10.859 -12.504  -3.132
 1075    HB   VAL 136           HB       VAL 136 -11.858 -13.647  -4.986
 1076   1HG1  VAL 136          1HG1      VAL 136  -9.554 -15.594  -4.922
 1077   2HG1  VAL 136          2HG1      VAL 136  -9.722 -14.286  -6.094
 1078   3HG1  VAL 136          3HG1      VAL 136 -10.912 -15.588  -6.047
 1079   1HG2  VAL 136          1HG2      VAL 136 -12.620 -14.618  -3.025
 1080   2HG2  VAL 136          2HG2      VAL 136 -11.061 -15.360  -2.665
 1081   3HG2  VAL 136          3HG2      VAL 136 -12.070 -16.010  -3.955
 1082    H    PHE 137           H        PHE 137 -10.546 -13.723  -1.275
 1083    HA   PHE 137           HA       PHE 137  -7.786 -14.429  -0.750
 1084   1HB   PHE 137          2HB       PHE 137 -10.247 -14.411   1.011
 1085   2HB   PHE 137          1HB       PHE 137  -8.639 -14.843   1.577
 1086    HD1  PHE 137           1HD      PHE 137  -9.981 -12.067  -0.546
 1087    HD2  PHE 137           2HD      PHE 137  -7.770 -13.204   2.908
 1088    HE1  PHE 137           1HE      PHE 137  -9.515  -9.700  -0.068
 1089    HE2  PHE 137           2HE      PHE 137  -7.301 -10.837   3.392
 1090    HZ   PHE 137           HZ       PHE 137  -8.174  -9.082   1.902
 1091    HA   PRO 138           HA       PRO 138  -7.814 -18.827  -1.147
 1092   1HB   PRO 138          2HB       PRO 138  -7.420 -18.981   1.812
 1093   2HB   PRO 138          1HB       PRO 138  -6.527 -19.793   0.522
 1094   1HG   PRO 138          2HG       PRO 138  -5.480 -17.694   1.761
 1095   2HG   PRO 138          1HG       PRO 138  -5.297 -17.887   0.008
 1096   1HD   PRO 138          2HD       PRO 138  -7.075 -16.047   1.537
 1097   2HD   PRO 138          1HD       PRO 138  -6.253 -15.795  -0.017
 1098    H    ASP 139           H        ASP 139  -9.814 -17.213   1.130
 1099    HA   ASP 139           HA       ASP 139 -11.532 -19.478   1.676
 1100   1HB   ASP 139          2HB       ASP 139 -11.504 -16.587   2.503
 1101   2HB   ASP 139          1HB       ASP 139 -12.893 -17.610   2.834
 1102    H    GLY 140           H        GLY 140 -12.796 -16.290   1.007
 1103   1HA   GLY 140          2HA       GLY 140 -13.724 -16.803  -1.632
 1104   2HA   GLY 140          1HA       GLY 140 -14.993 -17.122  -0.457
 1105    H    GLU 141           H        GLU 141 -12.695 -14.725   0.375
 1106    HA   GLU 141           HA       GLU 141 -14.729 -12.653   0.169
 1107   1HB   GLU 141          2HB       GLU 141 -13.483 -12.945   2.271
 1108   2HB   GLU 141          1HB       GLU 141 -11.977 -12.647   1.415
 1109   1HG   GLU 141          2HG       GLU 141 -12.707 -10.389   0.901
 1110   2HG   GLU 141          1HG       GLU 141 -14.223 -10.677   1.756
 1111    H    MET 142           H        MET 142 -14.207 -10.552  -0.767
 1112    HA   MET 142           HA       MET 142 -11.951 -10.524  -2.628
 1113   1HB   MET 142          2HB       MET 142 -14.807  -9.997  -3.449
 1114   2HB   MET 142          1HB       MET 142 -13.398  -9.729  -4.467
 1115   1HG   MET 142          2HG       MET 142 -12.892 -12.122  -4.383
 1116   2HG   MET 142          1HG       MET 142 -14.317 -12.381  -3.376
 1117   1HE   MET 142          1HE       MET 142 -16.742 -11.816  -4.131
 1118   2HE   MET 142          2HE       MET 142 -17.238 -11.498  -5.793
 1119   3HE   MET 142          3HE       MET 142 -16.394 -10.254  -4.871
 1120    H    LEU 143           H        LEU 143 -11.488  -8.352  -3.501
 1121    HA   LEU 143           HA       LEU 143 -11.586  -6.372  -1.509
 1122   1HB   LEU 143          2HB       LEU 143  -9.838  -6.533  -3.228
 1123   2HB   LEU 143          1HB       LEU 143 -11.015  -6.139  -4.464
 1124    HG   LEU 143           HG       LEU 143 -11.289  -3.901  -3.517
 1125   1HD1  LEU 143          1HD1      LEU 143 -10.064  -3.106  -1.670
 1126   2HD1  LEU 143          2HD1      LEU 143  -9.031  -4.536  -1.638
 1127   3HD1  LEU 143          3HD1      LEU 143 -10.722  -4.660  -1.156
 1128   1HD2  LEU 143          1HD2      LEU 143  -9.707  -3.941  -5.203
 1129   2HD2  LEU 143          2HD2      LEU 143  -8.568  -4.891  -4.251
 1130   3HD2  LEU 143          3HD2      LEU 143  -8.833  -3.190  -3.870
 1131    H    ARG 144           H        ARG 144 -13.759  -7.315  -3.971
 1132    HA   ARG 144           HA       ARG 144 -15.204  -4.811  -4.074
 1133   1HB   ARG 144          2HB       ARG 144 -14.984  -6.423  -6.013
 1134   2HB   ARG 144          1HB       ARG 144 -16.047  -7.514  -5.142
 1135   1HG   ARG 144          2HG       ARG 144 -16.814  -4.714  -5.934
 1136   2HG   ARG 144          1HG       ARG 144 -17.150  -6.141  -6.911
 1137   1HD   ARG 144          2HD       ARG 144 -18.432  -7.086  -5.023
 1138   2HD   ARG 144          1HD       ARG 144 -18.143  -5.605  -4.115
 1139    HE   ARG 144           HE       ARG 144 -20.153  -6.009  -6.040
 1140   1HH1  ARG 144          1HH1      ARG 144 -17.834  -3.610  -5.027
 1141   2HH1  ARG 144          2HH1      ARG 144 -18.779  -2.273  -5.595
 1142   1HH2  ARG 144          1HH2      ARG 144 -21.401  -4.256  -6.786
 1143   2HH2  ARG 144          2HH2      ARG 144 -20.805  -2.641  -6.596
 1144    H    GLN 145           H        GLN 145 -15.731  -8.094  -2.821
 1145    HA   GLN 145           HA       GLN 145 -18.237  -7.612  -1.648
 1146   1HB   GLN 145          2HB       GLN 145 -17.495  -9.867  -2.020
 1147   2HB   GLN 145          1HB       GLN 145 -16.085  -9.629  -1.001
 1148   1HG   GLN 145          2HG       GLN 145 -18.827  -9.336   0.140
 1149   2HG   GLN 145          1HG       GLN 145 -18.132 -10.935  -0.101
 1150   1HE2  GLN 145          1HE2      GLN 145 -15.509  -9.161   0.420
 1151   2HE2  GLN 145          2HE2      GLN 145 -15.382  -9.264   2.138
 1152    H    ILE 146           H        ILE 146 -14.963  -7.083  -0.501
 1153    HA   ILE 146           HA       ILE 146 -15.615  -6.591   2.212
 1154    HB   ILE 146           HB       ILE 146 -13.257  -5.631   0.584
 1155   1HG1  ILE 146          2HG1      ILE 146 -13.484  -7.882   2.593
 1156   2HG1  ILE 146          1HG1      ILE 146 -13.480  -8.097   0.847
 1157   1HG2  ILE 146          1HG2      ILE 146 -12.958  -5.808   3.489
 1158   2HG2  ILE 146          2HG2      ILE 146 -14.083  -4.561   2.955
 1159   3HG2  ILE 146          3HG2      ILE 146 -12.421  -4.560   2.365
 1160   1HD1  ILE 146          1HD1      ILE 146 -11.258  -7.456   2.688
 1161   2HD1  ILE 146          2HD1      ILE 146 -11.207  -6.754   1.070
 1162   3HD1  ILE 146          3HD1      ILE 146 -11.295  -8.504   1.271
 1163    H    LEU 147           H        LEU 147 -15.270  -4.491  -0.624
 1164    HA   LEU 147           HA       LEU 147 -15.727  -2.071   0.810
 1165   1HB   LEU 147          2HB       LEU 147 -15.790  -2.804  -2.104
 1166   2HB   LEU 147          1HB       LEU 147 -16.280  -1.210  -1.562
 1167    HG   LEU 147           HG       LEU 147 -13.562  -2.433  -1.081
 1168   1HD1  LEU 147          1HD1      LEU 147 -12.792  -1.439  -2.950
 1169   2HD1  LEU 147          2HD1      LEU 147 -13.877  -0.057  -2.791
 1170   3HD1  LEU 147          3HD1      LEU 147 -14.472  -1.573  -3.470
 1171   1HD2  LEU 147          1HD2      LEU 147 -12.985  -0.088  -0.451
 1172   2HD2  LEU 147          2HD2      LEU 147 -14.095  -0.885   0.664
 1173   3HD2  LEU 147          3HD2      LEU 147 -14.706   0.293  -0.497
 1174    H    HIS 148           H        HIS 148 -17.751  -4.596  -0.209
 1175    HA   HIS 148           HA       HIS 148 -20.144  -3.044  -0.574
 1176   1HB   HIS 148          2HB       HIS 148 -19.827  -5.225  -1.693
 1177   2HB   HIS 148          1HB       HIS 148 -19.815  -6.020  -0.122
 1178    HD1  HIS 148           1HD      HIS 148 -22.185  -5.321   1.307
 1179    HD2  HIS 148           2HD      HIS 148 -22.249  -5.425  -2.848
 1180    HE1  HIS 148           1HE      HIS 148 -24.607  -5.562   0.677
 1181    HE2  HIS 148           2HE      HIS 148 -24.629  -5.554  -1.842
 1182    H    THR 149           H        THR 149 -18.595  -4.801   2.028
 1183    HA   THR 149           HA       THR 149 -20.842  -4.365   3.827
 1184    HB   THR 149           HB       THR 149 -18.153  -5.667   4.305
 1185    HG1  THR 149           1HG      THR 149 -20.500  -7.133   4.285
 1186   1HG2  THR 149          1HG2      THR 149 -18.659  -5.580   6.460
 1187   2HG2  THR 149          2HG2      THR 149 -19.961  -6.715   6.101
 1188   3HG2  THR 149          3HG2      THR 149 -20.286  -4.981   6.134
 1189    H    ARG 150           H        ARG 150 -17.731  -3.041   3.066
 1190    HA   ARG 150           HA       ARG 150 -17.692  -1.383   5.468
 1191   1HB   ARG 150          2HB       ARG 150 -15.716  -1.579   3.186
 1192   2HB   ARG 150          1HB       ARG 150 -15.495  -0.618   4.639
 1193   1HG   ARG 150          2HG       ARG 150 -15.751  -3.616   4.553
 1194   2HG   ARG 150          1HG       ARG 150 -14.242  -2.716   4.716
 1195   1HD   ARG 150          2HD       ARG 150 -16.551  -2.615   6.647
 1196   2HD   ARG 150          1HD       ARG 150 -15.085  -3.559   6.873
 1197    HE   ARG 150           HE       ARG 150 -14.344  -0.902   6.458
 1198   1HH1  ARG 150          1HH1      ARG 150 -16.069  -2.816   8.804
 1199   2HH1  ARG 150          2HH1      ARG 150 -15.644  -1.799  10.139
 1200   1HH2  ARG 150          1HH2      ARG 150 -13.776   0.442   8.216
 1201   2HH2  ARG 150          2HH2      ARG 150 -14.341   0.050   9.806
 1202    H    ALA 151           H        ALA 151 -17.325  -0.833   1.965
 1203    HA   ALA 151           HA       ALA 151 -18.007   0.844   0.595
 1204   1HB   ALA 151          1HB       ALA 151 -19.928   2.102   2.394
 1205   2HB   ALA 151          2HB       ALA 151 -20.170   0.365   2.208
 1206   3HB   ALA 151          3HB       ALA 151 -20.161   1.411   0.789
 1207    H    PHE 152           H        PHE 152 -15.741   1.525   1.460
 1208    HA   PHE 152           HA       PHE 152 -15.964   4.156   2.729
 1209   1HB   PHE 152          2HB       PHE 152 -13.720   2.143   2.713
 1210   2HB   PHE 152          1HB       PHE 152 -13.469   3.821   3.177
 1211    HD1  PHE 152           1HD      PHE 152 -13.049   3.809   5.442
 1212    HD2  PHE 152           2HD      PHE 152 -16.294   1.509   3.935
 1213    HE1  PHE 152           1HE      PHE 152 -13.745   3.289   7.743
 1214    HE2  PHE 152           2HE      PHE 152 -16.997   0.987   6.233
 1215    HZ   PHE 152           HZ       PHE 152 -15.722   1.877   8.141
 1216    H    ASP 153           H        ASP 153 -16.645   4.492   0.314
 1217    HA   ASP 153           HA       ASP 153 -14.583   4.713  -1.638
 1218   1HB   ASP 153          2HB       ASP 153 -16.280   6.103  -2.857
 1219   2HB   ASP 153          1HB       ASP 153 -16.848   4.500  -2.408
 1220    H    LYS 154           H        LYS 154 -14.376   6.035   1.039
 1221    HA   LYS 154           HA       LYS 154 -14.472   8.800   0.921
 1222   1HB   LYS 154          2HB       LYS 154 -12.522   7.068   2.442
 1223   2HB   LYS 154          1HB       LYS 154 -13.077   8.683   2.892
 1224   1HG   LYS 154          2HG       LYS 154 -15.408   7.664   2.992
 1225   2HG   LYS 154          1HG       LYS 154 -14.602   6.101   2.908
 1226   1HD   LYS 154          2HD       LYS 154 -14.068   8.203   5.008
 1227   2HD   LYS 154          1HD       LYS 154 -15.088   6.780   5.230
 1228   1HE   LYS 154          2HE       LYS 154 -13.172   5.324   4.825
 1229   2HE   LYS 154          1HE       LYS 154 -12.149   6.731   4.538
 1230   1HZ   LYS 154          1HZ       LYS 154 -12.102   5.647   6.836
 1231   2HZ   LYS 154          2HZ       LYS 154 -13.593   6.399   7.091
 1232   3HZ   LYS 154          3HZ       LYS 154 -12.222   7.334   6.764
 1233    H    LEU 155           H        LEU 155 -11.555   8.942   1.878
 1234    HA   LEU 155           HA       LEU 155  -9.603   9.778   1.067
 1235   1HB   LEU 155          2HB       LEU 155 -10.000   7.833  -1.196
 1236   2HB   LEU 155          1HB       LEU 155  -8.487   8.486  -0.611
 1237    HG   LEU 155           HG       LEU 155  -8.908   7.203   1.551
 1238   1HD1  LEU 155          1HD1      LEU 155 -10.452   5.123   0.677
 1239   2HD1  LEU 155          2HD1      LEU 155 -11.325   6.533   0.082
 1240   3HD1  LEU 155          3HD1      LEU 155 -10.958   6.383   1.801
 1241   1HD2  LEU 155          1HD2      LEU 155  -7.393   5.909   0.594
 1242   2HD2  LEU 155          2HD2      LEU 155  -7.959   6.382  -1.008
 1243   3HD2  LEU 155          3HD2      LEU 155  -8.691   5.005  -0.186
 1244    H    ASN 156           H        ASN 156 -10.552  11.860   0.534
 1245    HA   ASN 156           HA       ASN 156 -11.602  12.379  -2.063
 1246   1HB   ASN 156          2HB       ASN 156 -11.318  14.778  -1.447
 1247   2HB   ASN 156          1HB       ASN 156 -12.192  13.851  -0.233
 1248   1HD2  ASN 156          1HD2      ASN 156  -9.904  16.132  -0.654
 1249   2HD2  ASN 156          2HD2      ASN 156  -9.019  15.944   0.817
 1250    H    LYS 157           H        LYS 157 -10.403  12.088  -3.825
 1251    HA   LYS 157           HA       LYS 157  -7.781  11.779  -4.182
 1252   1HB   LYS 157          2HB       LYS 157  -9.905  12.867  -5.915
 1253   2HB   LYS 157          1HB       LYS 157  -8.255  13.167  -6.444
 1254   1HG   LYS 157          2HG       LYS 157  -9.324  10.441  -5.750
 1255   2HG   LYS 157          1HG       LYS 157  -9.286  11.106  -7.380
 1256   1HD   LYS 157          2HD       LYS 157  -6.879  10.698  -5.616
 1257   2HD   LYS 157          1HD       LYS 157  -7.371   9.635  -6.937
 1258   1HE   LYS 157          2HE       LYS 157  -6.561  12.534  -7.163
 1259   2HE   LYS 157          1HE       LYS 157  -5.614  11.138  -7.677
 1260   1HZ   LYS 157          1HZ       LYS 157  -6.601  11.886  -9.617
 1261   2HZ   LYS 157          2HZ       LYS 157  -8.076  12.240  -8.872
 1262   3HZ   LYS 157          3HZ       LYS 157  -7.634  10.630  -9.146
 1263    H    TRP 158           H        TRP 158  -5.945  12.842  -4.263
 1264    HA   TRP 158           HA       TRP 158  -5.516  15.243  -2.976
 1265   1HB   TRP 158          2HB       TRP 158  -3.658  13.840  -3.227
 1266   2HB   TRP 158          1HB       TRP 158  -3.902  13.648  -4.953
 1267    HD1  TRP 158           HD       TRP 158  -3.189  15.830  -6.500
 1268    HE1  TRP 158           1HE      TRP 158  -1.307  17.541  -6.126
 1269    HE3  TRP 158           3HE      TRP 158  -2.354  15.035  -1.520
 1270    HZ2  TRP 158           2HZ      TRP 158   0.325  18.431  -4.005
 1271    HZ3  TRP 158           3HZ      TRP 158  -0.608  16.355  -0.399
 1272    HH2  TRP 158           HH       TRP 158   0.705  18.015  -1.614
  Start of MODEL   10
    1   1H    THR   1          1HT       THR   1   1.140 -14.498  -9.030
    2   2H    THR   1          2HT       THR   1   2.256 -13.232  -9.118
    3   3H    THR   1          3HT       THR   1   0.763 -13.099  -9.902
    4    HA   THR   1           HA       THR   1  -0.405 -13.060  -7.828
    5    HB   THR   1           HB       THR   1   2.361 -13.330  -6.628
    6    HG1  THR   1           1HG      THR   1   1.835 -15.358  -6.210
    7   1HG2  THR   1          1HG2      THR   1   0.677 -11.916  -5.346
    8   2HG2  THR   1          2HG2      THR   1   1.427 -13.266  -4.496
    9   3HG2  THR   1          3HG2      THR   1  -0.217 -13.416  -5.112
   10    H    VAL   2           H        VAL   2  -1.075 -11.037  -8.073
   11    HA   VAL   2           HA       VAL   2   0.644  -8.844  -8.632
   12    HB   VAL   2           HB       VAL   2  -2.245  -8.816  -7.755
   13   1HG1  VAL   2          1HG1      VAL   2  -2.290  -6.594  -8.035
   14   2HG1  VAL   2          2HG1      VAL   2  -1.207  -6.643  -9.426
   15   3HG1  VAL   2          3HG1      VAL   2  -0.546  -6.698  -7.791
   16   1HG2  VAL   2          1HG2      VAL   2  -2.367  -9.940  -9.741
   17   2HG2  VAL   2          2HG2      VAL   2  -0.916  -9.173 -10.390
   18   3HG2  VAL   2          3HG2      VAL   2  -2.431  -8.274 -10.314
   19    H    ALA   3           H        ALA   3   1.244  -7.107  -7.372
   20    HA   ALA   3           HA       ALA   3   1.121  -7.567  -4.478
   21   1HB   ALA   3          1HB       ALA   3   2.946  -5.652  -5.909
   22   2HB   ALA   3          2HB       ALA   3   3.349  -7.347  -5.645
   23   3HB   ALA   3          3HB       ALA   3   3.092  -6.277  -4.266
   24    H    TYR   4           H        TYR   4  -0.729  -6.648  -3.806
   25    HA   TYR   4           HA       TYR   4  -1.692  -4.099  -4.748
   26   1HB   TYR   4          2HB       TYR   4  -2.541  -5.874  -2.452
   27   2HB   TYR   4          1HB       TYR   4  -3.393  -4.423  -2.958
   28    HD1  TYR   4           1HD      TYR   4  -1.876  -6.889  -5.283
   29    HD2  TYR   4           2HD      TYR   4  -5.462  -5.431  -3.527
   30    HE1  TYR   4           1HE      TYR   4  -3.192  -8.229  -6.863
   31    HE2  TYR   4           2HE      TYR   4  -6.781  -6.764  -5.104
   32    HH   TYR   4           HH       TYR   4  -5.256  -9.031  -7.324
   33    H    ILE   5           H        ILE   5   0.292  -2.897  -4.262
   34    HA   ILE   5           HA       ILE   5   1.010  -2.522  -1.472
   35    HB   ILE   5           HB       ILE   5   2.190  -1.058  -3.820
   36   1HG1  ILE   5          2HG1      ILE   5   2.988  -3.772  -2.743
   37   2HG1  ILE   5          1HG1      ILE   5   2.202  -3.478  -4.292
   38   1HG2  ILE   5          1HG2      ILE   5   4.152  -0.903  -2.412
   39   2HG2  ILE   5          2HG2      ILE   5   3.369  -1.878  -1.168
   40   3HG2  ILE   5          3HG2      ILE   5   2.750  -0.272  -1.551
   41   1HD1  ILE   5          1HD1      ILE   5   4.926  -2.477  -3.497
   42   2HD1  ILE   5          2HD1      ILE   5   4.143  -2.241  -5.059
   43   3HD1  ILE   5          3HD1      ILE   5   4.598  -3.863  -4.537
   44    H    ALA   6           H        ALA   6   1.295  -0.391  -0.541
   45    HA   ALA   6           HA       ALA   6  -0.436   1.712  -1.642
   46   1HB   ALA   6          1HB       ALA   6  -1.387   0.166   0.326
   47   2HB   ALA   6          2HB       ALA   6  -1.784   1.877   0.172
   48   3HB   ALA   6          3HB       ALA   6  -0.523   1.360   1.292
   49    H    ILE   7           H        ILE   7   0.573   3.634  -1.658
   50    HA   ILE   7           HA       ILE   7   2.917   3.972   0.100
   51    HB   ILE   7           HB       ILE   7   2.382   5.241  -2.594
   52   1HG1  ILE   7          2HG1      ILE   7   4.517   3.997  -3.194
   53   2HG1  ILE   7          1HG1      ILE   7   4.326   3.114  -1.685
   54   1HG2  ILE   7          1HG2      ILE   7   3.589   6.651  -0.844
   55   2HG2  ILE   7          2HG2      ILE   7   4.389   6.434  -2.400
   56   3HG2  ILE   7          3HG2      ILE   7   4.914   5.497  -1.002
   57   1HD1  ILE   7          1HD1      ILE   7   1.943   2.607  -2.660
   58   2HD1  ILE   7          2HD1      ILE   7   3.352   1.670  -3.151
   59   3HD1  ILE   7          3HD1      ILE   7   2.745   2.957  -4.191
   60    H    GLY   8           H        GLY   8   3.257   5.974   1.128
   61   1HA   GLY   8          2HA       GLY   8   1.192   8.029   0.884
   62   2HA   GLY   8          1HA       GLY   8   1.315   7.233   2.447
   63    H    SER   9           H        SER   9   2.137   9.989   0.976
   64    HA   SER   9           HA       SER   9   4.514  10.299   2.675
   65   1HB   SER   9          2HB       SER   9   5.616  11.564   0.792
   66   2HB   SER   9          1HB       SER   9   5.461   9.827   0.549
   67    HG   SER   9           HG       SER   9   4.797  11.412  -1.206
   68    H    ASN  10           H        ASN  10   4.939  12.390   3.426
   69    HA   ASN  10           HA       ASN  10   3.436  14.646   2.543
   70   1HB   ASN  10          2HB       ASN  10   2.235  14.954   4.757
   71   2HB   ASN  10          1HB       ASN  10   1.604  13.698   3.695
   72   1HD2  ASN  10          1HD2      ASN  10   0.880  12.121   4.921
   73   2HD2  ASN  10          2HD2      ASN  10   1.728  11.384   6.232
   74    H    LEU  11           H        LEU  11   5.614  13.211   4.912
   75    HA   LEU  11           HA       LEU  11   6.348  15.863   5.893
   76   1HB   LEU  11          2HB       LEU  11   7.325  13.141   6.752
   77   2HB   LEU  11          1HB       LEU  11   7.810  14.659   7.482
   78    HG   LEU  11           HG       LEU  11   5.084  13.384   7.548
   79   1HD1  LEU  11          1HD1      LEU  11   5.995  14.162  10.086
   80   2HD1  LEU  11          2HD1      LEU  11   7.354  13.371   9.287
   81   3HD1  LEU  11          3HD1      LEU  11   5.815  12.527   9.453
   82   1HD2  LEU  11          1HD2      LEU  11   5.811  16.037   8.764
   83   2HD2  LEU  11          2HD2      LEU  11   4.216  15.293   8.637
   84   3HD2  LEU  11          3HD2      LEU  11   5.030  15.886   7.189
   85    H    ALA  12           H        ALA  12   6.993  15.864   3.363
   86    HA   ALA  12           HA       ALA  12   9.683  16.502   3.268
   87   1HB   ALA  12          1HB       ALA  12  10.382  14.278   3.449
   88   2HB   ALA  12          2HB       ALA  12  10.451  14.610   1.718
   89   3HB   ALA  12          3HB       ALA  12   9.099  13.694   2.388
   90    H    SER  13           H        SER  13   7.652  14.644   1.037
   91    HA   SER  13           HA       SER  13   6.722  16.815  -0.474
   92   1HB   SER  13          2HB       SER  13   9.085  17.025  -1.163
   93   2HB   SER  13          1HB       SER  13   9.072  15.348  -1.709
   94    HG   SER  13           HG       SER  13   7.223  16.104  -3.075
   95    HA   PRO  14           HA       PRO  14   4.375  12.900  -0.914
   96   1HB   PRO  14          2HB       PRO  14   2.128  14.244  -1.804
   97   2HB   PRO  14          1HB       PRO  14   2.480  13.831  -0.128
   98   1HG   PRO  14          2HG       PRO  14   2.901  16.412  -1.568
   99   2HG   PRO  14          1HG       PRO  14   2.340  16.132   0.090
  100   1HD   PRO  14          2HD       PRO  14   4.854  16.901  -0.413
  101   2HD   PRO  14          1HD       PRO  14   4.490  15.742   0.884
  102    H    LEU  15           H        LEU  15   5.326  15.305  -3.149
  103    HA   LEU  15           HA       LEU  15   4.097  14.010  -5.428
  104   1HB   LEU  15          2HB       LEU  15   4.390  16.481  -5.278
  105   2HB   LEU  15          1HB       LEU  15   6.124  16.242  -5.380
  106    HG   LEU  15           HG       LEU  15   5.838  15.228  -7.617
  107   1HD1  LEU  15          1HD1      LEU  15   3.161  16.234  -8.072
  108   2HD1  LEU  15          2HD1      LEU  15   3.188  14.964  -6.849
  109   3HD1  LEU  15          3HD1      LEU  15   3.857  14.658  -8.452
  110   1HD2  LEU  15          1HD2      LEU  15   4.647  17.545  -8.483
  111   2HD2  LEU  15          2HD2      LEU  15   6.361  17.342  -8.119
  112   3HD2  LEU  15          3HD2      LEU  15   5.271  17.995  -6.895
  113    H    GLU  16           H        GLU  16   7.452  14.712  -4.438
  114    HA   GLU  16           HA       GLU  16   8.577  12.973  -6.392
  115   1HB   GLU  16          2HB       GLU  16   9.654  14.511  -4.063
  116   2HB   GLU  16          1HB       GLU  16  10.673  13.351  -4.903
  117   1HG   GLU  16          2HG       GLU  16  11.006  15.617  -5.728
  118   2HG   GLU  16          1HG       GLU  16  10.372  14.552  -6.977
  119    H    GLN  17           H        GLN  17   7.680  12.578  -3.017
  120    HA   GLN  17           HA       GLN  17   9.186  10.231  -2.563
  121   1HB   GLN  17          2HB       GLN  17   6.711  11.275  -1.195
  122   2HB   GLN  17          1HB       GLN  17   7.675   9.926  -0.611
  123   1HG   GLN  17          2HG       GLN  17   9.603  11.391  -0.368
  124   2HG   GLN  17          1HG       GLN  17   8.660  12.744  -0.991
  125   1HE2  GLN  17          1HE2      GLN  17   9.681  11.155   1.742
  126   2HE2  GLN  17          2HE2      GLN  17   8.580  11.842   2.880
  127    H    VAL  18           H        VAL  18   6.142  10.764  -4.139
  128    HA   VAL  18           HA       VAL  18   5.416   7.950  -3.968
  129    HB   VAL  18           HB       VAL  18   3.996  10.254  -5.306
  130   1HG1  VAL  18          1HG1      VAL  18   2.120   8.748  -5.588
  131   2HG1  VAL  18          2HG1      VAL  18   3.028   7.433  -4.840
  132   3HG1  VAL  18          3HG1      VAL  18   3.539   8.085  -6.398
  133   1HG2  VAL  18          1HG2      VAL  18   3.215  10.720  -3.281
  134   2HG2  VAL  18          2HG2      VAL  18   4.156   9.395  -2.594
  135   3HG2  VAL  18          3HG2      VAL  18   2.520   9.101  -3.185
  136    H    ASN  19           H        ASN  19   6.535  10.263  -6.403
  137    HA   ASN  19           HA       ASN  19   6.159   8.763  -8.694
  138   1HB   ASN  19          2HB       ASN  19   8.427  10.628  -7.979
  139   2HB   ASN  19          1HB       ASN  19   8.205   9.947  -9.587
  140   1HD2  ASN  19          1HD2      ASN  19   7.842  12.666  -7.997
  141   2HD2  ASN  19          2HD2      ASN  19   6.424  13.314  -8.739
  142    H    ALA  20           H        ALA  20   9.080   8.792  -6.642
  143    HA   ALA  20           HA       ALA  20  10.300   6.618  -8.011
  144   1HB   ALA  20          1HB       ALA  20  11.055   7.264  -5.209
  145   2HB   ALA  20          2HB       ALA  20  11.308   8.488  -6.453
  146   3HB   ALA  20          3HB       ALA  20  12.075   6.908  -6.605
  147    H    ALA  21           H        ALA  21   7.899   6.804  -5.568
  148    HA   ALA  21           HA       ALA  21   8.375   4.291  -4.312
  149   1HB   ALA  21          1HB       ALA  21   6.819   5.031  -2.915
  150   2HB   ALA  21          2HB       ALA  21   5.611   5.041  -4.199
  151   3HB   ALA  21          3HB       ALA  21   6.630   6.456  -3.937
  152    H    LEU  22           H        LEU  22   6.063   5.339  -6.809
  153    HA   LEU  22           HA       LEU  22   5.217   2.615  -7.263
  154   1HB   LEU  22          2HB       LEU  22   3.771   3.671  -9.030
  155   2HB   LEU  22          1HB       LEU  22   3.483   4.197  -7.385
  156    HG   LEU  22           HG       LEU  22   4.924   6.223  -7.913
  157   1HD1  LEU  22          1HD1      LEU  22   6.100   5.645  -9.841
  158   2HD1  LEU  22          2HD1      LEU  22   4.872   6.775 -10.407
  159   3HD1  LEU  22          3HD1      LEU  22   4.656   5.042 -10.654
  160   1HD2  LEU  22          1HD2      LEU  22   2.466   6.076  -9.625
  161   2HD2  LEU  22          2HD2      LEU  22   3.092   7.440  -8.696
  162   3HD2  LEU  22          3HD2      LEU  22   2.372   6.061  -7.864
  163    H    LYS  23           H        LYS  23   7.607   4.719  -8.544
  164    HA   LYS  23           HA       LYS  23   7.740   3.367 -11.108
  165   1HB   LYS  23          2HB       LYS  23   9.358   5.558  -9.838
  166   2HB   LYS  23          1HB       LYS  23   9.878   4.784 -11.327
  167   1HG   LYS  23          2HG       LYS  23   7.255   6.208 -10.928
  168   2HG   LYS  23          1HG       LYS  23   8.674   6.872 -11.740
  169   1HD   LYS  23          2HD       LYS  23   8.549   5.059 -13.400
  170   2HD   LYS  23          1HD       LYS  23   7.100   4.445 -12.601
  171   1HE   LYS  23          2HE       LYS  23   7.409   7.155 -13.889
  172   2HE   LYS  23          1HE       LYS  23   6.524   5.783 -14.558
  173   1HZ   LYS  23          1HZ       LYS  23   5.863   7.072 -11.968
  174   2HZ   LYS  23          2HZ       LYS  23   4.954   5.907 -12.790
  175   3HZ   LYS  23          3HZ       LYS  23   5.113   7.464 -13.432
  176    H    ALA  24           H        ALA  24   9.519   3.371  -8.072
  177    HA   ALA  24           HA       ALA  24  11.748   1.890  -8.889
  178   1HB   ALA  24          1HB       ALA  24  12.155   1.464  -6.567
  179   2HB   ALA  24          2HB       ALA  24  10.476   1.812  -6.160
  180   3HB   ALA  24          3HB       ALA  24  11.531   3.105  -6.730
  181    H    LEU  25           H        LEU  25   8.485   0.891  -8.383
  182    HA   LEU  25           HA       LEU  25   8.989  -1.842  -7.777
  183   1HB   LEU  25          2HB       LEU  25   6.549  -0.617  -9.077
  184   2HB   LEU  25          1HB       LEU  25   6.635  -2.192  -8.313
  185    HG   LEU  25           HG       LEU  25   6.937   0.464  -6.906
  186   1HD1  LEU  25          1HD1      LEU  25   4.676   0.303  -7.366
  187   2HD1  LEU  25          2HD1      LEU  25   4.798  -0.455  -5.779
  188   3HD1  LEU  25          3HD1      LEU  25   4.666  -1.454  -7.226
  189   1HD2  LEU  25          1HD2      LEU  25   6.426  -1.817  -5.224
  190   2HD2  LEU  25          2HD2      LEU  25   7.715  -0.617  -5.129
  191   3HD2  LEU  25          3HD2      LEU  25   7.909  -2.040  -6.153
  192    H    GLY  26           H        GLY  26   8.984   0.006 -10.700
  193   1HA   GLY  26          2HA       GLY  26   8.594  -2.188 -12.496
  194   2HA   GLY  26          1HA       GLY  26   9.206  -0.594 -12.918
  195    H    ASP  27           H        ASP  27  11.317  -0.882 -10.796
  196    HA   ASP  27           HA       ASP  27  13.210  -2.354 -12.437
  197   1HB   ASP  27          2HB       ASP  27  13.448  -0.253 -10.299
  198   2HB   ASP  27          1HB       ASP  27  14.834  -1.156 -10.867
  199    H    ILE  28           H        ILE  28  11.481  -2.631  -9.491
  200    HA   ILE  28           HA       ILE  28  13.249  -4.053  -7.881
  201    HB   ILE  28           HB       ILE  28  10.252  -4.105  -8.091
  202   1HG1  ILE  28          2HG1      ILE  28  12.194  -3.073  -6.012
  203   2HG1  ILE  28          1HG1      ILE  28  11.267  -2.100  -7.148
  204   1HG2  ILE  28          1HG2      ILE  28  10.190  -5.431  -6.015
  205   2HG2  ILE  28          2HG2      ILE  28  11.933  -5.669  -6.135
  206   3HG2  ILE  28          3HG2      ILE  28  10.866  -6.333  -7.372
  207   1HD1  ILE  28          1HD1      ILE  28   9.766  -1.886  -5.536
  208   2HD1  ILE  28          2HD1      ILE  28  10.515  -3.157  -4.569
  209   3HD1  ILE  28          3HD1      ILE  28   9.347  -3.574  -5.823
  210    HA   PRO  29           HA       PRO  29  13.993  -7.883  -9.939
  211   1HB   PRO  29          2HB       PRO  29  14.246  -9.487  -7.705
  212   2HB   PRO  29          1HB       PRO  29  15.532  -8.473  -8.365
  213   1HG   PRO  29          2HG       PRO  29  13.664  -7.930  -6.092
  214   2HG   PRO  29          1HG       PRO  29  15.399  -7.581  -6.227
  215   1HD   PRO  29          2HD       PRO  29  13.565  -5.653  -6.555
  216   2HD   PRO  29          1HD       PRO  29  15.043  -5.699  -7.541
  217    H    GLU  30           H        GLU  30  12.549  -9.138 -10.904
  218    HA   GLU  30           HA       GLU  30  10.692 -10.368 -11.335
  219   1HB   GLU  30          2HB       GLU  30  11.064 -11.054  -8.421
  220   2HB   GLU  30          1HB       GLU  30   9.866 -11.826  -9.448
  221   1HG   GLU  30          2HG       GLU  30  11.671 -13.293  -9.442
  222   2HG   GLU  30          1HG       GLU  30  11.787 -12.432 -10.974
  223    H    SER  31           H        SER  31   9.959  -7.918 -11.315
  224    HA   SER  31           HA       SER  31   7.308  -7.937 -10.177
  225   1HB   SER  31          2HB       SER  31   7.527  -5.847  -8.968
  226   2HB   SER  31          1HB       SER  31   8.741  -6.979  -8.373
  227    HG   SER  31           HG       SER  31   9.701  -5.550 -10.444
  228    H    HIS  32           H        HIS  32   5.875  -6.637 -11.329
  229    HA   HIS  32           HA       HIS  32   6.904  -4.699 -13.231
  230   1HB   HIS  32          2HB       HIS  32   7.168  -6.833 -14.420
  231   2HB   HIS  32          1HB       HIS  32   5.462  -7.174 -14.190
  232    HD1  HIS  32           1HD      HIS  32   7.447  -4.274 -15.681
  233    HD2  HIS  32           2HD      HIS  32   4.072  -6.586 -16.410
  234    HE1  HIS  32           1HE      HIS  32   6.497  -3.412 -17.846
  235    HE2  HIS  32           2HE      HIS  32   4.444  -4.815 -18.259
  236    H    ILE  33           H        ILE  33   5.584  -3.098 -12.412
  237    HA   ILE  33           HA       ILE  33   2.952  -3.399 -11.579
  238    HB   ILE  33           HB       ILE  33   4.534  -1.041 -12.501
  239   1HG1  ILE  33          2HG1      ILE  33   3.063  -1.773  -9.965
  240   2HG1  ILE  33          1HG1      ILE  33   4.797  -1.909 -10.238
  241   1HG2  ILE  33          1HG2      ILE  33   2.514   0.378 -11.899
  242   2HG2  ILE  33          2HG2      ILE  33   1.552  -1.088 -12.083
  243   3HG2  ILE  33          3HG2      ILE  33   2.453  -0.448 -13.456
  244   1HD1  ILE  33          1HD1      ILE  33   4.263   0.735 -10.805
  245   2HD1  ILE  33          2HD1      ILE  33   4.955   0.100  -9.312
  246   3HD1  ILE  33          3HD1      ILE  33   3.217   0.378  -9.429
  247    H    LEU  34           H        LEU  34   1.038  -3.527 -12.519
  248    HA   LEU  34           HA       LEU  34   0.953  -3.559 -15.451
  249   1HB   LEU  34          2HB       LEU  34   0.288  -5.557 -13.959
  250   2HB   LEU  34          1HB       LEU  34  -1.161  -4.640 -13.603
  251    HG   LEU  34           HG       LEU  34  -0.308  -5.490 -16.378
  252   1HD1  LEU  34          1HD1      LEU  34  -1.773  -7.288 -16.250
  253   2HD1  LEU  34          2HD1      LEU  34  -2.593  -6.646 -14.825
  254   3HD1  LEU  34          3HD1      LEU  34  -0.964  -7.307 -14.682
  255   1HD2  LEU  34          1HD2      LEU  34  -1.692  -3.518 -16.444
  256   2HD2  LEU  34          2HD2      LEU  34  -2.855  -4.257 -15.342
  257   3HD2  LEU  34          3HD2      LEU  34  -2.638  -4.913 -16.965
  258    H    THR  35           H        THR  35  -1.126  -2.599 -12.698
  259    HA   THR  35           HA       THR  35  -1.955  -0.248 -14.247
  260    HB   THR  35           HB       THR  35  -4.293  -0.572 -13.372
  261    HG1  THR  35           1HG      THR  35  -4.107  -3.238 -13.092
  262   1HG2  THR  35          1HG2      THR  35  -4.499  -1.190 -15.501
  263   2HG2  THR  35          2HG2      THR  35  -4.544  -2.830 -14.853
  264   3HG2  THR  35          3HG2      THR  35  -3.029  -2.164 -15.465
  265    H    VAL  36           H        VAL  36  -2.366   1.588 -13.070
  266    HA   VAL  36           HA       VAL  36  -1.950   1.411 -10.157
  267    HB   VAL  36           HB       VAL  36   0.052   2.330 -11.282
  268   1HG1  VAL  36          1HG1      VAL  36  -1.853   3.713 -12.829
  269   2HG1  VAL  36          2HG1      VAL  36  -0.093   3.769 -12.963
  270   3HG1  VAL  36          3HG1      VAL  36  -0.938   4.927 -11.936
  271   1HG2  VAL  36          1HG2      VAL  36   0.363   4.194  -9.831
  272   2HG2  VAL  36          2HG2      VAL  36  -0.663   3.034  -8.986
  273   3HG2  VAL  36          3HG2      VAL  36  -1.375   4.472  -9.719
  274    H    SER  37           H        SER  37  -2.960   3.103  -8.902
  275    HA   SER  37           HA       SER  37  -5.561   3.771  -9.912
  276   1HB   SER  37          2HB       SER  37  -5.956   4.693  -7.664
  277   2HB   SER  37          1HB       SER  37  -5.249   3.079  -7.580
  278    HG   SER  37           HG       SER  37  -4.242   5.476  -6.728
  279    H    SER  38           H        SER  38  -4.887   6.330  -7.955
  280    HA   SER  38           HA       SER  38  -3.845   8.045 -10.090
  281   1HB   SER  38          2HB       SER  38  -6.318   8.100 -10.255
  282   2HB   SER  38          1HB       SER  38  -6.402   8.635  -8.576
  283    HG   SER  38           HG       SER  38  -5.113  10.018 -10.694
  284    H    PHE  39           H        PHE  39  -5.078  10.198  -8.035
  285    HA   PHE  39           HA       PHE  39  -2.866  10.009  -6.104
  286   1HB   PHE  39          2HB       PHE  39  -3.800  12.588  -7.382
  287   2HB   PHE  39          1HB       PHE  39  -2.471  12.393  -6.255
  288    HD1  PHE  39           1HD      PHE  39  -0.318  12.212  -7.075
  289    HD2  PHE  39           2HD      PHE  39  -3.593  11.215  -9.601
  290    HE1  PHE  39           1HE      PHE  39   1.233  11.907  -8.961
  291    HE2  PHE  39           2HE      PHE  39  -2.048  10.907 -11.490
  292    HZ   PHE  39           HZ       PHE  39   0.397  11.245 -11.146
  293    H    TYR  40           H        TYR  40  -4.178   9.282  -4.478
  294    HA   TYR  40           HA       TYR  40  -6.559  10.827  -3.797
  295   1HB   TYR  40          2HB       TYR  40  -5.523   8.256  -2.590
  296   2HB   TYR  40          1HB       TYR  40  -7.090   8.992  -2.280
  297    HD1  TYR  40           1HD      TYR  40  -5.036   7.764  -5.152
  298    HD2  TYR  40           2HD      TYR  40  -8.918   8.198  -3.466
  299    HE1  TYR  40           1HE      TYR  40  -5.991   6.507  -7.038
  300    HE2  TYR  40           2HE      TYR  40  -9.881   6.940  -5.344
  301    HH   TYR  40           HH       TYR  40  -8.242   6.332  -8.187
  302    H    ARG  41           H        ARG  41  -6.946  11.604  -1.684
  303    HA   ARG  41           HA       ARG  41  -4.533  12.013  -0.048
  304   1HB   ARG  41          2HB       ARG  41  -5.094  14.066  -1.312
  305   2HB   ARG  41          1HB       ARG  41  -6.697  14.057  -0.592
  306   1HG   ARG  41          2HG       ARG  41  -5.671  14.311   1.632
  307   2HG   ARG  41          1HG       ARG  41  -4.084  14.397   0.861
  308   1HD   ARG  41          2HD       ARG  41  -4.793  16.384  -0.376
  309   2HD   ARG  41          1HD       ARG  41  -6.381  16.295   0.384
  310    HE   ARG  41           HE       ARG  41  -4.436  16.398   2.393
  311   1HH1  ARG  41          1HH1      ARG  41  -5.772  18.426  -0.110
  312   2HH1  ARG  41          2HH1      ARG  41  -5.462  19.902   0.743
  313   1HH2  ARG  41          1HH2      ARG  41  -4.022  18.335   3.518
  314   2HH2  ARG  41          2HH2      ARG  41  -4.466  19.850   2.803
  315    H    THR  42           H        THR  42  -4.915  10.747   1.680
  316    HA   THR  42           HA       THR  42  -7.468  11.118   3.098
  317    HB   THR  42           HB       THR  42  -7.560   8.963   1.978
  318    HG1  THR  42           1HG      THR  42  -8.449   8.999   4.042
  319   1HG2  THR  42          1HG2      THR  42  -5.291   7.884   3.557
  320   2HG2  THR  42          2HG2      THR  42  -4.956   8.731   2.046
  321   3HG2  THR  42          3HG2      THR  42  -5.999   7.308   2.048
  322    HA   PRO  43           HA       PRO  43  -5.130  12.093   6.704
  323   1HB   PRO  43          2HB       PRO  43  -6.623  10.718   8.602
  324   2HB   PRO  43          1HB       PRO  43  -6.981  12.341   8.003
  325   1HG   PRO  43          2HG       PRO  43  -8.153   9.717   7.194
  326   2HG   PRO  43          1HG       PRO  43  -8.946  11.293   7.384
  327   1HD   PRO  43          2HD       PRO  43  -8.347  10.319   4.963
  328   2HD   PRO  43          1HD       PRO  43  -8.210  12.053   5.319
  329    HA   PRO  44           HA       PRO  44  -2.376   8.532   6.783
  330   1HB   PRO  44          2HB       PRO  44  -1.098  10.206   8.885
  331   2HB   PRO  44          1HB       PRO  44  -0.379   9.443   7.463
  332   1HG   PRO  44          2HG       PRO  44  -0.812  12.063   7.506
  333   2HG   PRO  44          1HG       PRO  44  -1.108  11.122   6.031
  334   1HD   PRO  44          2HD       PRO  44  -3.066  12.193   8.024
  335   2HD   PRO  44          1HD       PRO  44  -3.191  12.109   6.255
  336    H    LEU  45           H        LEU  45  -3.622  10.127   9.665
  337    HA   LEU  45           HA       LEU  45  -4.414   9.353  11.629
  338   1HB   LEU  45          2HB       LEU  45  -4.411   6.679  10.227
  339   2HB   LEU  45          1HB       LEU  45  -5.161   6.991  11.780
  340    HG   LEU  45           HG       LEU  45  -5.963   8.274   9.165
  341   1HD1  LEU  45          1HD1      LEU  45  -7.466   6.253  10.812
  342   2HD1  LEU  45          2HD1      LEU  45  -6.486   5.838   9.407
  343   3HD1  LEU  45          3HD1      LEU  45  -7.893   6.883   9.222
  344   1HD2  LEU  45          1HD2      LEU  45  -7.989   8.565  11.045
  345   2HD2  LEU  45          2HD2      LEU  45  -6.913   9.827  10.443
  346   3HD2  LEU  45          3HD2      LEU  45  -6.507   8.953  11.921
  347    H    GLY  46           H        GLY  46  -3.237   9.350  13.376
  348   1HA   GLY  46          2HA       GLY  46  -1.922   8.022  14.951
  349   2HA   GLY  46          1HA       GLY  46  -0.988   7.446  13.576
  350    HA   PRO  47           HA       PRO  47   1.443  11.019  14.956
  351   1HB   PRO  47          2HB       PRO  47   3.756   9.769  15.281
  352   2HB   PRO  47          1HB       PRO  47   2.446   9.558  16.445
  353   1HG   PRO  47          2HG       PRO  47   3.496   7.671  14.434
  354   2HG   PRO  47          1HG       PRO  47   2.615   7.340  15.931
  355   1HD   PRO  47          2HD       PRO  47   1.585   7.491  13.234
  356   2HD   PRO  47          1HD       PRO  47   0.716   7.071  14.725
  357    H    GLN  48           H        GLN  48   3.308  12.080  14.122
  358    HA   GLN  48           HA       GLN  48   5.156  12.200  12.551
  359   1HB   GLN  48          2HB       GLN  48   5.117  11.341  10.475
  360   2HB   GLN  48          1HB       GLN  48   3.845  10.301  11.090
  361   1HG   GLN  48          2HG       GLN  48   2.448  12.504  10.267
  362   2HG   GLN  48          1HG       GLN  48   3.770  12.476   9.118
  363   1HE2  GLN  48          1HE2      GLN  48   1.468  10.248  10.633
  364   2HE2  GLN  48          2HE2      GLN  48   1.098   9.387   9.199
  365    H    ASP  49           H        ASP  49   1.801  13.032  12.040
  366    HA   ASP  49           HA       ASP  49   1.693  15.640  12.487
  367   1HB   ASP  49          2HB       ASP  49   3.549  16.044  10.898
  368   2HB   ASP  49          1HB       ASP  49   2.587  15.331   9.606
  369    H    GLN  50           H        GLN  50   1.012  13.284   9.984
  370    HA   GLN  50           HA       GLN  50  -0.881  12.647   8.910
  371   1HB   GLN  50          2HB       GLN  50  -2.670  13.719  11.024
  372   2HB   GLN  50          1HB       GLN  50  -2.688  12.161  10.215
  373   1HG   GLN  50          2HG       GLN  50  -1.039  13.039  12.552
  374   2HG   GLN  50          1HG       GLN  50  -2.158  11.687  12.433
  375   1HE2  GLN  50          1HE2      GLN  50  -1.365   9.735  11.894
  376   2HE2  GLN  50          2HE2      GLN  50   0.254   9.428  11.397
  377    HA   PRO  51           HA       PRO  51  -2.137  16.881   7.598
  378   1HB   PRO  51          2HB       PRO  51  -0.320  17.406   5.730
  379   2HB   PRO  51          1HB       PRO  51   0.080  17.566   7.444
  380   1HG   PRO  51          2HG       PRO  51   0.904  15.493   5.502
  381   2HG   PRO  51          1HG       PRO  51   1.728  16.046   6.968
  382   1HD   PRO  51          2HD       PRO  51   0.042  13.740   6.620
  383   2HD   PRO  51          1HD       PRO  51   0.877  14.268   8.093
  384    H    ASP  52           H        ASP  52  -2.659  13.996   6.606
  385    HA   ASP  52           HA       ASP  52  -3.862  12.998   4.963
  386   1HB   ASP  52          2HB       ASP  52  -4.283  15.821   3.952
  387   2HB   ASP  52          1HB       ASP  52  -5.182  14.397   3.440
  388    H    TYR  53           H        TYR  53  -1.765  12.146   4.354
  389    HA   TYR  53           HA       TYR  53  -0.112  13.284   2.394
  390   1HB   TYR  53          2HB       TYR  53   0.817  10.996   2.148
  391   2HB   TYR  53          1HB       TYR  53   0.697  11.507   3.822
  392    HD1  TYR  53           1HD      TYR  53  -1.728   9.907   1.442
  393    HD2  TYR  53           2HD      TYR  53   0.274   9.705   5.189
  394    HE1  TYR  53           1HE      TYR  53  -2.953   7.849   1.980
  395    HE2  TYR  53           2HE      TYR  53  -0.947   7.644   5.731
  396    HH   TYR  53           HH       TYR  53  -2.934   6.470   5.128
  397    H    LEU  54           H        LEU  54   0.383  11.778   0.371
  398    HA   LEU  54           HA       LEU  54  -2.144  11.568  -1.129
  399   1HB   LEU  54          2HB       LEU  54  -0.826  13.279  -2.127
  400   2HB   LEU  54          1HB       LEU  54   0.631  12.304  -2.048
  401    HG   LEU  54           HG       LEU  54  -1.584  11.196  -3.657
  402   1HD1  LEU  54          1HD1      LEU  54  -1.935  13.113  -4.774
  403   2HD1  LEU  54          2HD1      LEU  54  -0.361  12.797  -5.502
  404   3HD1  LEU  54          3HD1      LEU  54  -0.489  13.872  -4.110
  405   1HD2  LEU  54          1HD2      LEU  54   0.537  10.046  -3.522
  406   2HD2  LEU  54          2HD2      LEU  54   1.386  11.491  -4.068
  407   3HD2  LEU  54          3HD2      LEU  54   0.289  10.647  -5.162
  408    H    ASN  55           H        ASN  55  -2.735   9.505  -1.175
  409    HA   ASN  55           HA       ASN  55  -0.648   7.460  -1.485
  410   1HB   ASN  55          2HB       ASN  55  -2.277   5.884  -0.553
  411   2HB   ASN  55          1HB       ASN  55  -2.002   7.240   0.536
  412   1HD2  ASN  55          1HD2      ASN  55  -4.301   5.304  -0.697
  413   2HD2  ASN  55          2HD2      ASN  55  -5.676   6.339  -0.561
  414    H    ALA  56           H        ALA  56  -1.477   5.427  -2.583
  415    HA   ALA  56           HA       ALA  56  -3.526   5.422  -4.470
  416   1HB   ALA  56          1HB       ALA  56  -1.468   5.576  -6.358
  417   2HB   ALA  56          2HB       ALA  56  -1.234   6.960  -5.289
  418   3HB   ALA  56          3HB       ALA  56  -2.779   6.730  -6.107
  419    H    ALA  57           H        ALA  57  -3.834   3.257  -4.326
  420    HA   ALA  57           HA       ALA  57  -1.720   1.403  -3.948
  421   1HB   ALA  57          1HB       ALA  57  -4.595   1.049  -4.767
  422   2HB   ALA  57          2HB       ALA  57  -3.894   0.836  -3.162
  423   3HB   ALA  57          3HB       ALA  57  -3.495  -0.294  -4.456
  424    H    VAL  58           H        VAL  58  -1.458  -0.523  -5.527
  425    HA   VAL  58           HA       VAL  58  -1.901   0.026  -8.299
  426    HB   VAL  58           HB       VAL  58  -0.044   1.513  -7.998
  427   1HG1  VAL  58          1HG1      VAL  58   1.637   1.130  -6.600
  428   2HG1  VAL  58          2HG1      VAL  58   2.070  -0.350  -7.457
  429   3HG1  VAL  58          3HG1      VAL  58   0.868  -0.399  -6.167
  430   1HG2  VAL  58          1HG2      VAL  58  -0.198   0.224 -10.093
  431   2HG2  VAL  58          2HG2      VAL  58   0.881  -0.989  -9.401
  432   3HG2  VAL  58          3HG2      VAL  58   1.464   0.652  -9.685
  433    H    ALA  59           H        ALA  59  -2.196  -1.835  -9.281
  434    HA   ALA  59           HA       ALA  59  -1.537  -4.298  -7.974
  435   1HB   ALA  59          1HB       ALA  59  -2.356  -4.949 -10.527
  436   2HB   ALA  59          2HB       ALA  59  -3.191  -3.432 -10.198
  437   3HB   ALA  59          3HB       ALA  59  -3.390  -4.802  -9.107
  438    H    LEU  60           H        LEU  60   0.686  -4.416  -7.874
  439    HA   LEU  60           HA       LEU  60   2.379  -4.151 -10.168
  440   1HB   LEU  60          2HB       LEU  60   3.270  -3.644  -7.989
  441   2HB   LEU  60          1HB       LEU  60   2.852  -5.236  -7.391
  442    HG   LEU  60           HG       LEU  60   4.539  -6.214  -8.986
  443   1HD1  LEU  60          1HD1      LEU  60   4.430  -3.846 -10.266
  444   2HD1  LEU  60          2HD1      LEU  60   5.788  -4.966 -10.379
  445   3HD1  LEU  60          3HD1      LEU  60   5.863  -3.598  -9.268
  446   1HD2  LEU  60          1HD2      LEU  60   5.809  -4.184  -7.167
  447   2HD2  LEU  60          2HD2      LEU  60   6.360  -5.812  -7.568
  448   3HD2  LEU  60          3HD2      LEU  60   4.943  -5.587  -6.542
  449    H    GLU  61           H        GLU  61   2.383  -5.625 -11.759
  450    HA   GLU  61           HA       GLU  61   1.538  -8.334 -11.295
  451   1HB   GLU  61          2HB       GLU  61   1.232  -7.047 -13.464
  452   2HB   GLU  61          1HB       GLU  61   2.956  -7.239 -13.730
  453   1HG   GLU  61          2HG       GLU  61   2.719  -9.653 -13.734
  454   2HG   GLU  61          1HG       GLU  61   0.994  -9.492 -13.426
  455    H    THR  62           H        THR  62   2.940  -9.112  -9.757
  456    HA   THR  62           HA       THR  62   5.708  -9.514 -10.662
  457    HB   THR  62           HB       THR  62   5.836  -7.868  -8.967
  458    HG1  THR  62           1HG      THR  62   6.806  -9.059  -7.211
  459   1HG2  THR  62          1HG2      THR  62   3.551  -9.201  -7.840
  460   2HG2  THR  62          2HG2      THR  62   4.169  -7.574  -7.551
  461   3HG2  THR  62          3HG2      THR  62   4.805  -8.937  -6.629
  462    H    SER  63           H        SER  63   6.816 -11.220  -9.357
  463    HA   SER  63           HA       SER  63   5.066 -13.402  -8.515
  464   1HB   SER  63          2HB       SER  63   6.434 -15.013  -9.831
  465   2HB   SER  63          1HB       SER  63   5.518 -13.903 -10.853
  466    HG   SER  63           HG       SER  63   7.409 -12.709 -11.164
  467    H    LEU  64           H        LEU  64   7.489 -11.355  -7.883
  468    HA   LEU  64           HA       LEU  64   9.553 -12.945  -6.829
  469   1HB   LEU  64          2HB       LEU  64   9.513 -10.429  -7.229
  470   2HB   LEU  64          1HB       LEU  64   8.647 -10.296  -5.716
  471    HG   LEU  64           HG       LEU  64  11.113  -9.822  -5.597
  472   1HD1  LEU  64          1HD1      LEU  64  11.199 -10.500  -3.450
  473   2HD1  LEU  64          2HD1      LEU  64  10.710 -12.150  -3.835
  474   3HD1  LEU  64          3HD1      LEU  64   9.500 -10.871  -3.741
  475   1HD2  LEU  64          1HD2      LEU  64  11.239 -12.344  -6.908
  476   2HD2  LEU  64          2HD2      LEU  64  12.053 -12.473  -5.350
  477   3HD2  LEU  64          3HD2      LEU  64  12.550 -11.237  -6.505
  478    H    ALA  65           H        ALA  65   9.952 -13.722  -4.739
  479    HA   ALA  65           HA       ALA  65   8.080 -15.096  -3.406
  480   1HB   ALA  65          1HB       ALA  65   9.838 -15.638  -2.174
  481   2HB   ALA  65          2HB       ALA  65   9.797 -14.057  -1.390
  482   3HB   ALA  65          3HB       ALA  65  10.734 -14.285  -2.865
  483    HA   PRO  66           HA       PRO  66   5.170 -12.241  -1.678
  484   1HB   PRO  66          2HB       PRO  66   4.739 -14.266   0.411
  485   2HB   PRO  66          1HB       PRO  66   3.605 -13.592  -0.755
  486   1HG   PRO  66          2HG       PRO  66   4.578 -16.111  -0.922
  487   2HG   PRO  66          1HG       PRO  66   4.087 -15.166  -2.339
  488   1HD   PRO  66          2HD       PRO  66   6.799 -15.839  -1.348
  489   2HD   PRO  66          1HD       PRO  66   6.241 -15.528  -3.006
  490    H    GLU  67           H        GLU  67   7.803 -13.614   0.035
  491    HA   GLU  67           HA       GLU  67   7.377 -11.849   2.311
  492   1HB   GLU  67          2HB       GLU  67   9.421 -13.158   3.199
  493   2HB   GLU  67          1HB       GLU  67   7.856 -13.963   3.117
  494   1HG   GLU  67          2HG       GLU  67   8.494 -15.012   1.029
  495   2HG   GLU  67          1HG       GLU  67  10.046 -14.195   1.065
  496    H    GLU  68           H        GLU  68   9.585 -12.372  -0.362
  497    HA   GLU  68           HA       GLU  68  11.372 -10.316   0.650
  498   1HB   GLU  68          2HB       GLU  68  12.309 -12.317  -0.456
  499   2HB   GLU  68          1HB       GLU  68  11.539 -11.823  -1.959
  500   1HG   GLU  68          2HG       GLU  68  12.862  -9.798  -2.010
  501   2HG   GLU  68          1HG       GLU  68  13.584 -10.199  -0.454
  502    H    LEU  69           H        LEU  69   8.717 -10.575  -1.544
  503    HA   LEU  69           HA       LEU  69   9.249  -8.441  -3.265
  504   1HB   LEU  69          2HB       LEU  69   7.419 -10.019  -3.599
  505   2HB   LEU  69          1HB       LEU  69   6.582  -9.384  -2.204
  506    HG   LEU  69           HG       LEU  69   5.688  -8.648  -4.436
  507   1HD1  LEU  69          1HD1      LEU  69   5.840  -7.276  -2.085
  508   2HD1  LEU  69          2HD1      LEU  69   4.884  -6.795  -3.485
  509   3HD1  LEU  69          3HD1      LEU  69   6.489  -6.108  -3.237
  510   1HD2  LEU  69          1HD2      LEU  69   7.814  -8.398  -5.595
  511   2HD2  LEU  69          2HD2      LEU  69   8.252  -7.067  -4.525
  512   3HD2  LEU  69          3HD2      LEU  69   6.892  -6.896  -5.635
  513    H    LEU  70           H        LEU  70   7.133  -8.358  -0.368
  514    HA   LEU  70           HA       LEU  70   6.993  -5.558  -0.218
  515   1HB   LEU  70          2HB       LEU  70   5.473  -6.806   1.112
  516   2HB   LEU  70          1HB       LEU  70   6.764  -7.718   1.867
  517    HG   LEU  70           HG       LEU  70   6.514  -4.759   2.340
  518   1HD1  LEU  70          1HD1      LEU  70   4.516  -6.612   2.973
  519   2HD1  LEU  70          2HD1      LEU  70   4.701  -4.977   3.607
  520   3HD1  LEU  70          3HD1      LEU  70   5.408  -6.342   4.469
  521   1HD2  LEU  70          1HD2      LEU  70   8.389  -5.234   3.461
  522   2HD2  LEU  70          2HD2      LEU  70   8.106  -6.972   3.372
  523   3HD2  LEU  70          3HD2      LEU  70   7.337  -6.016   4.638
  524    H    ASN  71           H        ASN  71   9.235  -7.890   1.133
  525    HA   ASN  71           HA       ASN  71  10.841  -6.259   2.686
  526   1HB   ASN  71          2HB       ASN  71  11.046  -8.740   2.514
  527   2HB   ASN  71          1HB       ASN  71  11.786  -8.540   0.930
  528   1HD2  ASN  71          1HD2      ASN  71  12.677  -6.026   2.967
  529   2HD2  ASN  71          2HD2      ASN  71  14.205  -6.645   3.478
  530    H    HIS  72           H        HIS  72  10.738  -6.666  -0.796
  531    HA   HIS  72           HA       HIS  72  13.089  -5.098  -1.301
  532   1HB   HIS  72          2HB       HIS  72  10.925  -6.258  -3.032
  533   2HB   HIS  72          1HB       HIS  72  12.044  -5.072  -3.686
  534    HD1  HIS  72           1HD      HIS  72  14.701  -5.946  -2.668
  535    HD2  HIS  72           2HD      HIS  72  11.806  -8.645  -3.927
  536    HE1  HIS  72           1HE      HIS  72  15.955  -8.035  -3.287
  537    HE2  HIS  72           2HE      HIS  72  14.178  -9.670  -4.008
  538    H    THR  73           H        THR  73   9.575  -4.611  -1.659
  539    HA   THR  73           HA       THR  73   9.647  -1.972  -2.533
  540    HB   THR  73           HB       THR  73   7.374  -1.761  -1.630
  541    HG1  THR  73           1HG      THR  73   7.702  -2.870   0.333
  542   1HG2  THR  73          1HG2      THR  73   8.199  -3.978  -3.301
  543   2HG2  THR  73          2HG2      THR  73   6.840  -2.868  -3.475
  544   3HG2  THR  73          3HG2      THR  73   6.689  -4.291  -2.446
  545    H    GLN  74           H        GLN  74  10.427  -3.313   0.517
  546    HA   GLN  74           HA       GLN  74   9.998  -1.038   2.152
  547   1HB   GLN  74          2HB       GLN  74  11.737  -3.480   2.454
  548   2HB   GLN  74          1HB       GLN  74  11.670  -2.215   3.675
  549   1HG   GLN  74          2HG       GLN  74   9.327  -3.836   2.708
  550   2HG   GLN  74          1HG       GLN  74  10.208  -4.093   4.214
  551   1HE2  GLN  74          1HE2      GLN  74   7.498  -2.790   2.941
  552   2HE2  GLN  74          2HE2      GLN  74   7.147  -1.596   4.141
  553    H    ARG  75           H        ARG  75  12.773  -2.175   0.265
  554    HA   ARG  75           HA       ARG  75  14.678  -0.410   1.290
  555   1HB   ARG  75          2HB       ARG  75  16.028  -0.907  -0.576
  556   2HB   ARG  75          1HB       ARG  75  15.082  -2.357  -0.287
  557   1HG   ARG  75          2HG       ARG  75  13.581  -1.759  -2.105
  558   2HG   ARG  75          1HG       ARG  75  14.501  -0.279  -2.384
  559   1HD   ARG  75          2HD       ARG  75  15.545  -3.098  -2.636
  560   2HD   ARG  75          1HD       ARG  75  15.139  -2.019  -3.970
  561    HE   ARG  75           HE       ARG  75  17.015  -0.736  -2.342
  562   1HH1  ARG  75          1HH1      ARG  75  16.809  -3.487  -4.475
  563   2HH1  ARG  75          2HH1      ARG  75  18.479  -3.425  -4.925
  564   1HH2  ARG  75          1HH2      ARG  75  19.215  -0.648  -2.932
  565   2HH2  ARG  75          2HH2      ARG  75  19.847  -1.812  -4.047
  566    H    ILE  76           H        ILE  76  12.033   0.133  -0.888
  567    HA   ILE  76           HA       ILE  76  12.922   2.498  -2.121
  568    HB   ILE  76           HB       ILE  76  10.114   1.601  -1.438
  569   1HG1  ILE  76          2HG1      ILE  76   9.982   1.221  -3.899
  570   2HG1  ILE  76          1HG1      ILE  76  11.679   1.665  -4.037
  571   1HG2  ILE  76          1HG2      ILE  76   9.745   3.853  -1.607
  572   2HG2  ILE  76          2HG2      ILE  76   9.611   3.384  -3.302
  573   3HG2  ILE  76          3HG2      ILE  76  11.104   4.107  -2.700
  574   1HD1  ILE  76          1HD1      ILE  76  12.301  -0.403  -3.576
  575   2HD1  ILE  76          2HD1      ILE  76  10.600  -0.872  -3.610
  576   3HD1  ILE  76          3HD1      ILE  76  11.358  -0.411  -2.087
  577    H    GLU  77           H        GLU  77  11.386   1.873   0.976
  578    HA   GLU  77           HA       GLU  77  10.861   4.537   1.711
  579   1HB   GLU  77          2HB       GLU  77  10.149   2.278   2.818
  580   2HB   GLU  77          1HB       GLU  77  11.648   2.442   3.718
  581   1HG   GLU  77          2HG       GLU  77  10.876   4.635   4.532
  582   2HG   GLU  77          1HG       GLU  77   9.355   4.390   3.681
  583    H    LEU  78           H        LEU  78  13.737   2.627   1.628
  584    HA   LEU  78           HA       LEU  78  15.286   4.464   3.257
  585   1HB   LEU  78          2HB       LEU  78  16.146   2.057   1.644
  586   2HB   LEU  78          1HB       LEU  78  17.169   2.959   2.747
  587    HG   LEU  78           HG       LEU  78  14.708   1.402   3.551
  588   1HD1  LEU  78          1HD1      LEU  78  16.353  -0.169   2.916
  589   2HD1  LEU  78          2HD1      LEU  78  16.438  -0.056   4.674
  590   3HD1  LEU  78          3HD1      LEU  78  17.643   0.763   3.679
  591   1HD2  LEU  78          1HD2      LEU  78  16.004   3.503   4.856
  592   2HD2  LEU  78          2HD2      LEU  78  16.584   2.036   5.644
  593   3HD2  LEU  78          3HD2      LEU  78  14.853   2.362   5.551
  594    H    GLN  79           H        GLN  79  15.233   3.360  -0.128
  595    HA   GLN  79           HA       GLN  79  17.251   5.000  -1.116
  596   1HB   GLN  79          2HB       GLN  79  14.769   4.052  -2.549
  597   2HB   GLN  79          1HB       GLN  79  16.212   4.689  -3.322
  598   1HG   GLN  79          2HG       GLN  79  17.478   2.807  -2.230
  599   2HG   GLN  79          1HG       GLN  79  15.912   2.128  -1.788
  600   1HE2  GLN  79          1HE2      GLN  79  15.151   0.687  -3.141
  601   2HE2  GLN  79          2HE2      GLN  79  15.496   0.586  -4.828
  602    H    GLN  80           H        GLN  80  13.881   5.699  -0.455
  603    HA   GLN  80           HA       GLN  80  13.970   8.263  -1.782
  604   1HB   GLN  80          2HB       GLN  80  11.910   6.801  -1.613
  605   2HB   GLN  80          1HB       GLN  80  11.847   7.217   0.095
  606   1HG   GLN  80          2HG       GLN  80  10.321   8.574  -1.236
  607   2HG   GLN  80          1HG       GLN  80  11.558   9.557  -0.455
  608   1HE2  GLN  80          1HE2      GLN  80  10.006   8.849  -3.332
  609   2HE2  GLN  80          2HE2      GLN  80  11.078   9.663  -4.416
  610    H    GLY  81           H        GLY  81  14.834   6.965   1.204
  611   1HA   GLY  81          2HA       GLY  81  15.867   7.970   2.998
  612   2HA   GLY  81          1HA       GLY  81  15.654   9.520   2.200
  613    H    ARG  82           H        ARG  82  13.777   7.005   3.922
  614    HA   ARG  82           HA       ARG  82  11.592   8.656   4.519
  615   1HB   ARG  82          2HB       ARG  82  10.933   6.572   5.064
  616   2HB   ARG  82          1HB       ARG  82  12.586   6.022   5.300
  617   1HG   ARG  82          2HG       ARG  82  12.573   7.058   7.527
  618   2HG   ARG  82          1HG       ARG  82  10.877   7.485   7.300
  619   1HD   ARG  82          2HD       ARG  82  11.061   5.440   8.598
  620   2HD   ARG  82          1HD       ARG  82  10.327   5.105   7.031
  621    HE   ARG  82           HE       ARG  82  13.075   4.683   6.798
  622   1HH1  ARG  82          1HH1      ARG  82  10.340   3.317   8.473
  623   2HH1  ARG  82          2HH1      ARG  82  11.016   1.722   8.537
  624   1HH2  ARG  82          1HH2      ARG  82  13.968   2.590   6.880
  625   2HH2  ARG  82          2HH2      ARG  82  13.077   1.309   7.634
  626    H    VAL  83           H        VAL  83  11.075   9.745   6.472
  627    HA   VAL  83           HA       VAL  83  13.462  10.546   7.999
  628    HB   VAL  83           HB       VAL  83  10.983  12.215   7.557
  629   1HG1  VAL  83          1HG1      VAL  83  11.870  13.311   9.305
  630   2HG1  VAL  83          2HG1      VAL  83  13.045  13.906   8.134
  631   3HG1  VAL  83          3HG1      VAL  83  13.432  12.511   9.141
  632   1HG2  VAL  83          1HG2      VAL  83  12.472  11.612   5.509
  633   2HG2  VAL  83          2HG2      VAL  83  13.617  12.742   6.230
  634   3HG2  VAL  83          3HG2      VAL  83  12.005  13.292   5.775
  635    H    ARG  84           H        ARG  84  13.308  10.769  10.208
  636    HA   ARG  84           HA       ARG  84  12.508  10.529  12.332
  637   1HB   ARG  84          2HB       ARG  84   9.833   9.664  11.237
  638   2HB   ARG  84          1HB       ARG  84  10.195  10.282  12.842
  639   1HG   ARG  84          2HG       ARG  84   9.900  11.752  10.266
  640   2HG   ARG  84          1HG       ARG  84   9.201  12.100  11.848
  641   1HD   ARG  84          2HD       ARG  84  11.437  12.731  12.664
  642   2HD   ARG  84          1HD       ARG  84  12.089  12.430  11.053
  643    HE   ARG  84           HE       ARG  84   9.972  14.276  10.874
  644   1HH1  ARG  84          1HH1      ARG  84  13.250  14.042  12.038
  645   2HH1  ARG  84          2HH1      ARG  84  13.586  15.728  11.817
  646   1HH2  ARG  84          1HH2      ARG  84  10.407  16.493  10.577
  647   2HH2  ARG  84          2HH2      ARG  84  11.969  17.119  10.987
  648    H    LYS  85           H        LYS  85  11.487   8.103   9.979
  649    HA   LYS  85           HA       LYS  85  11.620   5.837   9.953
  650   1HB   LYS  85          2HB       LYS  85  13.828   6.357  11.943
  651   2HB   LYS  85          1HB       LYS  85  13.549   4.823  11.129
  652   1HG   LYS  85          2HG       LYS  85  14.000   5.857   8.980
  653   2HG   LYS  85          1HG       LYS  85  14.220   7.422   9.765
  654   1HD   LYS  85          2HD       LYS  85  16.125   6.548  11.006
  655   2HD   LYS  85          1HD       LYS  85  15.890   4.959  10.276
  656   1HE   LYS  85          2HE       LYS  85  16.558   7.503   8.797
  657   2HE   LYS  85          1HE       LYS  85  17.689   6.204   9.177
  658   1HZ   LYS  85          1HZ       LYS  85  15.237   5.632   7.647
  659   2HZ   LYS  85          2HZ       LYS  85  16.703   4.787   7.668
  660   3HZ   LYS  85          3HZ       LYS  85  16.595   6.273   6.865
  661    H    ALA  86           H        ALA  86  10.236   7.380  12.374
  662    HA   ALA  86           HA       ALA  86   9.736   4.906  13.897
  663   1HB   ALA  86          1HB       ALA  86  10.779   6.220  15.476
  664   2HB   ALA  86          2HB       ALA  86   9.082   6.607  15.760
  665   3HB   ALA  86          3HB       ALA  86  10.100   7.716  14.838
  666    H    GLU  87           H        GLU  87   7.815   4.137  13.435
  667    HA   GLU  87           HA       GLU  87   5.559   6.010  13.149
  668   1HB   GLU  87          2HB       GLU  87   4.537   4.449  11.553
  669   2HB   GLU  87          1HB       GLU  87   6.078   5.053  10.970
  670   1HG   GLU  87          2HG       GLU  87   5.780   2.400  12.342
  671   2HG   GLU  87          1HG       GLU  87   5.610   2.605  10.601
  672    H    ARG  88           H        ARG  88   4.072   5.729  14.721
  673    HA   ARG  88           HA       ARG  88   4.095   3.184  16.175
  674   1HB   ARG  88          2HB       ARG  88   4.381   5.225  17.504
  675   2HB   ARG  88          1HB       ARG  88   2.856   5.847  16.892
  676   1HG   ARG  88          2HG       ARG  88   1.662   4.031  17.987
  677   2HG   ARG  88          1HG       ARG  88   3.190   3.378  18.583
  678   1HD   ARG  88          2HD       ARG  88   2.059   4.679  20.304
  679   2HD   ARG  88          1HD       ARG  88   3.583   5.429  19.845
  680    HE   ARG  88           HE       ARG  88   1.509   6.546  18.316
  681   1HH1  ARG  88          1HH1      ARG  88   2.703   6.493  21.592
  682   2HH1  ARG  88          2HH1      ARG  88   2.074   8.059  21.980
  683   1HH2  ARG  88          1HH2      ARG  88   0.682   8.609  18.821
  684   2HH2  ARG  88          2HH2      ARG  88   0.926   9.262  20.406
  685    H    TRP  89           H        TRP  89   1.671   5.560  15.071
  686    HA   TRP  89           HA       TRP  89  -0.096   3.292  14.453
  687   1HB   TRP  89          2HB       TRP  89  -0.780   4.597  16.495
  688   2HB   TRP  89          1HB       TRP  89  -1.025   5.990  15.449
  689    HD1  TRP  89           HD       TRP  89  -2.130   2.358  14.701
  690    HE1  TRP  89           1HE      TRP  89  -4.685   2.347  14.386
  691    HE3  TRP  89           3HE      TRP  89  -3.110   7.243  15.847
  692    HZ2  TRP  89           2HZ      TRP  89  -6.830   4.169  14.597
  693    HZ3  TRP  89           3HZ      TRP  89  -5.439   8.029  15.768
  694    HH2  TRP  89           HH       TRP  89  -7.261   6.522  15.154
  695    H    GLY  90           H        GLY  90   1.718   5.602  13.037
  696   1HA   GLY  90          2HA       GLY  90   0.075   5.567  10.654
  697   2HA   GLY  90          1HA       GLY  90   0.244   7.143  11.387
  698    HA   PRO  91           HA       PRO  91   3.571   6.285   8.128
  699   1HB   PRO  91          2HB       PRO  91   2.521   8.890   7.162
  700   2HB   PRO  91          1HB       PRO  91   2.925   7.431   6.251
  701   1HG   PRO  91          2HG       PRO  91   0.397   8.136   6.674
  702   2HG   PRO  91          1HG       PRO  91   0.889   6.429   6.725
  703   1HD   PRO  91          2HD       PRO  91   0.338   8.320   8.982
  704   2HD   PRO  91          1HD       PRO  91  -0.124   6.615   8.809
  705    H    ARG  92           H        ARG  92   4.387   9.047   7.257
  706    HA   ARG  92           HA       ARG  92   5.119  10.922   8.930
  707   1HB   ARG  92          2HB       ARG  92   6.903  10.415  10.324
  708   2HB   ARG  92          1HB       ARG  92   5.873   9.009  10.473
  709   1HG   ARG  92          2HG       ARG  92   8.452   9.272   8.984
  710   2HG   ARG  92          1HG       ARG  92   8.077   8.217  10.340
  711   1HD   ARG  92          2HD       ARG  92   6.900   8.018   7.574
  712   2HD   ARG  92          1HD       ARG  92   8.185   7.025   8.221
  713    HE   ARG  92           HE       ARG  92   5.883   6.877   9.858
  714   1HH1  ARG  92          1HH1      ARG  92   7.288   5.725   6.889
  715   2HH1  ARG  92          2HH1      ARG  92   6.285   4.316   6.807
  716   1HH2  ARG  92          1HH2      ARG  92   4.525   5.032   9.733
  717   2HH2  ARG  92          2HH2      ARG  92   4.712   3.926   8.415
  718    H    THR  93           H        THR  93   5.726   9.306   6.132
  719    HA   THR  93           HA       THR  93   7.018  11.330   4.813
  720    HB   THR  93           HB       THR  93   9.262   9.816   4.549
  721    HG1  THR  93           1HG      THR  93   8.913   8.452   6.223
  722   1HG2  THR  93          1HG2      THR  93   9.526  11.667   6.777
  723   2HG2  THR  93          2HG2      THR  93   8.731  12.356   5.362
  724   3HG2  THR  93          3HG2      THR  93  10.336  11.642   5.209
  725    H    LEU  94           H        LEU  94   7.190   7.784   5.071
  726    HA   LEU  94           HA       LEU  94   5.748   7.314   2.685
  727   1HB   LEU  94          2HB       LEU  94   7.751   8.144   1.587
  728   2HB   LEU  94          1HB       LEU  94   8.753   7.038   2.503
  729    HG   LEU  94           HG       LEU  94   6.621   5.921   0.730
  730   1HD1  LEU  94          1HD1      LEU  94   7.522   6.804  -1.104
  731   2HD1  LEU  94          2HD1      LEU  94   9.006   5.926  -0.737
  732   3HD1  LEU  94          3HD1      LEU  94   8.797   7.579  -0.164
  733   1HD2  LEU  94          1HD2      LEU  94   9.084   4.553   0.598
  734   2HD2  LEU  94          2HD2      LEU  94   7.591   4.034   1.380
  735   3HD2  LEU  94          3HD2      LEU  94   8.799   4.939   2.294
  736    H    ASP  95           H        ASP  95   5.277   5.151   2.400
  737    HA   ASP  95           HA       ASP  95   6.637   3.048   3.713
  738   1HB   ASP  95          2HB       ASP  95   4.798   2.447   5.304
  739   2HB   ASP  95          1HB       ASP  95   5.692   3.896   5.740
  740    H    LEU  96           H        LEU  96   6.471   1.754   1.990
  741    HA   LEU  96           HA       LEU  96   3.773   1.244   0.934
  742   1HB   LEU  96          2HB       LEU  96   4.782   0.620  -1.174
  743   2HB   LEU  96          1HB       LEU  96   5.302   2.223  -0.709
  744    HG   LEU  96           HG       LEU  96   7.001  -0.231  -0.287
  745   1HD1  LEU  96          1HD1      LEU  96   6.947  -0.215  -2.574
  746   2HD1  LEU  96          2HD1      LEU  96   8.253   0.934  -2.282
  747   3HD1  LEU  96          3HD1      LEU  96   6.634   1.518  -2.666
  748   1HD2  LEU  96          1HD2      LEU  96   7.737   1.501   1.125
  749   2HD2  LEU  96          2HD2      LEU  96   7.473   2.732  -0.108
  750   3HD2  LEU  96          3HD2      LEU  96   8.792   1.575  -0.285
  751    H    ASP  97           H        ASP  97   3.014  -0.468   2.011
  752    HA   ASP  97           HA       ASP  97   4.739  -2.852   2.216
  753   1HB   ASP  97          2HB       ASP  97   3.366  -3.478   4.198
  754   2HB   ASP  97          1HB       ASP  97   4.267  -1.986   4.427
  755    H    ILE  98           H        ILE  98   3.714  -4.922   2.081
  756    HA   ILE  98           HA       ILE  98   1.738  -5.061   0.021
  757    HB   ILE  98           HB       ILE  98   3.260  -7.097   1.613
  758   1HG1  ILE  98          2HG1      ILE  98   4.339  -6.196  -0.345
  759   2HG1  ILE  98          1HG1      ILE  98   3.874  -7.862  -0.667
  760   1HG2  ILE  98          1HG2      ILE  98   0.601  -7.497   0.486
  761   2HG2  ILE  98          2HG2      ILE  98   1.533  -8.516   1.585
  762   3HG2  ILE  98          3HG2      ILE  98   1.798  -8.620  -0.155
  763   1HD1  ILE  98          1HD1      ILE  98   2.325  -5.454  -1.581
  764   2HD1  ILE  98          2HD1      ILE  98   2.000  -7.140  -1.986
  765   3HD1  ILE  98          3HD1      ILE  98   3.471  -6.359  -2.570
  766    H    MET  99           H        MET  99  -0.389  -5.178   0.210
  767    HA   MET  99           HA       MET  99  -1.558  -5.707   2.873
  768   1HB   MET  99          2HB       MET  99  -2.789  -4.007   0.709
  769   2HB   MET  99          1HB       MET  99  -3.266  -4.120   2.399
  770   1HG   MET  99          2HG       MET  99  -1.159  -3.066   3.057
  771   2HG   MET  99          1HG       MET  99  -0.700  -2.938   1.361
  772   1HE   MET  99          1HE       MET  99  -3.741  -0.645   0.111
  773   2HE   MET  99          2HE       MET  99  -3.633  -2.405   0.182
  774   3HE   MET  99          3HE       MET  99  -2.279  -1.461  -0.441
  775    H    LEU 100           H        LEU 100  -1.401  -6.614  -0.404
  776    HA   LEU 100           HA       LEU 100  -3.234  -8.779   0.022
  777   1HB   LEU 100          2HB       LEU 100  -4.070  -6.359  -1.406
  778   2HB   LEU 100          1HB       LEU 100  -4.346  -7.830  -2.316
  779    HG   LEU 100           HG       LEU 100  -5.409  -7.204   0.446
  780   1HD1  LEU 100          1HD1      LEU 100  -6.775  -6.000  -0.940
  781   2HD1  LEU 100          2HD1      LEU 100  -7.594  -7.563  -0.949
  782   3HD1  LEU 100          3HD1      LEU 100  -6.555  -7.105  -2.298
  783   1HD2  LEU 100          1HD2      LEU 100  -5.381  -9.442   0.667
  784   2HD2  LEU 100          2HD2      LEU 100  -5.195  -9.714  -1.066
  785   3HD2  LEU 100          3HD2      LEU 100  -6.789  -9.373  -0.396
  786    H    PHE 101           H        PHE 101  -1.515 -10.083  -0.460
  787    HA   PHE 101           HA       PHE 101  -0.513  -9.924  -3.224
  788   1HB   PHE 101          2HB       PHE 101   1.119  -9.529  -1.299
  789   2HB   PHE 101          1HB       PHE 101   0.919 -11.234  -0.916
  790    HD1  PHE 101           1HD      PHE 101   2.460 -12.682  -1.763
  791    HD2  PHE 101           2HD      PHE 101   1.633  -9.089  -3.876
  792    HE1  PHE 101           1HE      PHE 101   4.207 -13.257  -3.396
  793    HE2  PHE 101           2HE      PHE 101   3.384  -9.655  -5.520
  794    HZ   PHE 101           HZ       PHE 101   4.633 -11.743  -5.318
  795    H    GLY 102           H        GLY 102  -2.077 -11.263  -4.141
  796   1HA   GLY 102          2HA       GLY 102  -3.021 -13.249  -4.796
  797   2HA   GLY 102          1HA       GLY 102  -1.560 -14.008  -4.186
  798    H    ASN 103           H        ASN 103  -2.879 -15.808  -3.551
  799    HA   ASN 103           HA       ASN 103  -4.660 -15.302  -1.271
  800   1HB   ASN 103          2HB       ASN 103  -5.522 -17.556  -1.636
  801   2HB   ASN 103          1HB       ASN 103  -5.623 -16.604  -3.111
  802   1HD2  ASN 103          1HD2      ASN 103  -2.446 -17.265  -2.810
  803   2HD2  ASN 103          2HD2      ASN 103  -2.363 -18.735  -3.706
  804    H    GLU 104           H        GLU 104  -1.629 -15.386  -1.254
  805    HA   GLU 104           HA       GLU 104  -1.117 -17.732   0.379
  806   1HB   GLU 104          2HB       GLU 104   1.187 -16.578   0.634
  807   2HB   GLU 104          1HB       GLU 104   0.752 -17.329  -0.886
  808   1HG   GLU 104          2HG       GLU 104   0.136 -14.454  -0.553
  809   2HG   GLU 104          1HG       GLU 104   1.828 -14.914  -0.735
  810    H    VAL 105           H        VAL 105  -0.144 -17.548   2.482
  811    HA   VAL 105           HA       VAL 105  -0.749 -15.102   3.947
  812    HB   VAL 105           HB       VAL 105  -1.955 -17.796   4.515
  813   1HG1  VAL 105          1HG1      VAL 105  -1.645 -15.440   6.378
  814   2HG1  VAL 105          2HG1      VAL 105  -1.126 -17.106   6.644
  815   3HG1  VAL 105          3HG1      VAL 105  -2.845 -16.710   6.623
  816   1HG2  VAL 105          1HG2      VAL 105  -4.027 -16.352   4.693
  817   2HG2  VAL 105          2HG2      VAL 105  -3.314 -16.492   3.087
  818   3HG2  VAL 105          3HG2      VAL 105  -3.049 -15.036   4.045
  819    H    ILE 106           H        ILE 106   1.454 -14.849   4.198
  820    HA   ILE 106           HA       ILE 106   2.611 -16.419   6.335
  821    HB   ILE 106           HB       ILE 106   4.811 -16.224   4.753
  822   1HG1  ILE 106          2HG1      ILE 106   4.177 -17.219   2.551
  823   2HG1  ILE 106          1HG1      ILE 106   2.488 -16.928   2.949
  824   1HG2  ILE 106          1HG2      ILE 106   2.940 -18.584   4.850
  825   2HG2  ILE 106          2HG2      ILE 106   4.086 -18.140   6.114
  826   3HG2  ILE 106          3HG2      ILE 106   4.672 -18.626   4.524
  827   1HD1  ILE 106          1HD1      ILE 106   3.297 -14.464   3.248
  828   2HD1  ILE 106          2HD1      ILE 106   2.964 -15.116   1.645
  829   3HD1  ILE 106          3HD1      ILE 106   4.627 -14.997   2.221
  830    H    ASN 107           H        ASN 107   2.773 -14.810   7.695
  831    HA   ASN 107           HA       ASN 107   3.715 -12.205   6.870
  832   1HB   ASN 107          2HB       ASN 107   3.199 -13.063   9.710
  833   2HB   ASN 107          1HB       ASN 107   3.053 -11.455   9.003
  834   1HD2  ASN 107          1HD2      ASN 107   1.157 -10.838   8.167
  835   2HD2  ASN 107          2HD2      ASN 107  -0.255 -11.826   8.084
  836    H    THR 108           H        THR 108   5.825 -12.081   6.502
  837    HA   THR 108           HA       THR 108   7.664 -13.678   8.091
  838    HB   THR 108           HB       THR 108   8.814 -11.766   6.179
  839    HG1  THR 108           1HG      THR 108   7.566 -13.892   4.932
  840   1HG2  THR 108          1HG2      THR 108   8.961 -14.749   6.072
  841   2HG2  THR 108          2HG2      THR 108   9.897 -13.829   7.251
  842   3HG2  THR 108          3HG2      THR 108  10.140 -13.556   5.525
  843    H    GLU 109           H        GLU 109   9.895 -11.856   7.898
  844    HA   GLU 109           HA       GLU 109   9.684 -10.588  10.393
  845   1HB   GLU 109          2HB       GLU 109  11.635 -10.044   8.146
  846   2HB   GLU 109          1HB       GLU 109  11.821  -9.487   9.804
  847   1HG   GLU 109          2HG       GLU 109  11.917 -11.804  10.572
  848   2HG   GLU 109          1HG       GLU 109  11.735 -12.360   8.909
  849    H    ARG 110           H        ARG 110  10.619  -8.650   7.616
  850    HA   ARG 110           HA       ARG 110   9.057  -6.426   8.573
  851   1HB   ARG 110          2HB       ARG 110  10.747  -6.815   6.092
  852   2HB   ARG 110          1HB       ARG 110   9.916  -5.320   6.480
  853   1HG   ARG 110          2HG       ARG 110  11.229  -5.037   8.475
  854   2HG   ARG 110          1HG       ARG 110  11.981  -6.615   8.245
  855   1HD   ARG 110          2HD       ARG 110  12.208  -4.313   6.312
  856   2HD   ARG 110          1HD       ARG 110  13.410  -4.706   7.540
  857    HE   ARG 110           HE       ARG 110  13.160  -5.914   5.014
  858   1HH1  ARG 110          1HH1      ARG 110  13.743  -6.748   8.349
  859   2HH1  ARG 110          2HH1      ARG 110  14.660  -8.166   7.968
  860   1HH2  ARG 110          1HH2      ARG 110  14.368  -7.782   4.507
  861   2HH2  ARG 110          2HH2      ARG 110  15.016  -8.753   5.786
  862    H    LEU 111           H        LEU 111   8.759  -9.025   6.395
  863    HA   LEU 111           HA       LEU 111   6.710  -7.908   4.745
  864   1HB   LEU 111          2HB       LEU 111   8.123  -9.675   3.865
  865   2HB   LEU 111          1HB       LEU 111   7.639 -10.742   5.160
  866    HG   LEU 111           HG       LEU 111   6.616 -11.177   2.894
  867   1HD1  LEU 111          1HD1      LEU 111   5.701 -11.985   5.098
  868   2HD1  LEU 111          2HD1      LEU 111   4.572 -11.922   3.745
  869   3HD1  LEU 111          3HD1      LEU 111   4.537 -10.666   4.981
  870   1HD2  LEU 111          1HD2      LEU 111   4.430  -9.688   2.708
  871   2HD2  LEU 111          2HD2      LEU 111   5.942  -9.255   1.912
  872   3HD2  LEU 111          3HD2      LEU 111   5.502  -8.497   3.444
  873    H    THR 112           H        THR 112   4.592  -8.187   4.798
  874    HA   THR 112           HA       THR 112   3.347  -9.804   6.860
  875    HB   THR 112           HB       THR 112   1.696  -7.747   7.048
  876    HG1  THR 112           1HG      THR 112   2.570  -6.228   5.835
  877   1HG2  THR 112          1HG2      THR 112   2.362  -7.662   9.147
  878   2HG2  THR 112          2HG2      THR 112   3.920  -6.973   8.682
  879   3HG2  THR 112          3HG2      THR 112   3.702  -8.722   8.707
  880    H    VAL 113           H        VAL 113   1.653 -10.899   5.994
  881    HA   VAL 113           HA       VAL 113   1.020 -10.333   3.240
  882    HB   VAL 113           HB       VAL 113   1.067 -12.655   4.783
  883   1HG1  VAL 113          1HG1      VAL 113  -1.185 -12.118   5.629
  884   2HG1  VAL 113          2HG1      VAL 113  -1.126 -13.622   4.707
  885   3HG1  VAL 113          3HG1      VAL 113  -1.785 -12.161   3.971
  886   1HG2  VAL 113          1HG2      VAL 113   1.618 -12.843   2.551
  887   2HG2  VAL 113          2HG2      VAL 113   0.153 -12.024   2.011
  888   3HG2  VAL 113          3HG2      VAL 113   0.063 -13.673   2.629
  889    HA   PRO 114           HA       PRO 114  -2.950  -8.143   3.252
  890   1HB   PRO 114          2HB       PRO 114  -4.244 -10.716   4.107
  891   2HB   PRO 114          1HB       PRO 114  -4.846  -9.481   2.996
  892   1HG   PRO 114          2HG       PRO 114  -3.494 -11.785   2.225
  893   2HG   PRO 114          1HG       PRO 114  -3.666 -10.325   1.237
  894   1HD   PRO 114          2HD       PRO 114  -1.254 -11.394   2.287
  895   2HD   PRO 114          1HD       PRO 114  -1.461  -9.814   1.503
  896    H    HIS 115           H        HIS 115  -2.272  -6.908   4.972
  897    HA   HIS 115           HA       HIS 115  -2.258  -7.731   7.666
  898   1HB   HIS 115          2HB       HIS 115  -0.978  -5.824   6.503
  899   2HB   HIS 115          1HB       HIS 115  -2.452  -4.885   6.694
  900    HD1  HIS 115           1HD      HIS 115  -3.248  -5.530   9.543
  901    HD2  HIS 115           2HD      HIS 115   0.678  -4.808   8.367
  902    HE1  HIS 115           1HE      HIS 115  -2.048  -4.787  11.626
  903    HE2  HIS 115           2HE      HIS 115   0.306  -4.285  10.876
  904    H    TYR 116           H        TYR 116  -4.025  -8.163   8.842
  905    HA   TYR 116           HA       TYR 116  -6.637  -7.432   8.191
  906   1HB   TYR 116          2HB       TYR 116  -6.928  -7.746  10.817
  907   2HB   TYR 116          1HB       TYR 116  -6.649  -9.118   9.754
  908    HD1  TYR 116           1HD      TYR 116  -4.128  -6.644  10.991
  909    HD2  TYR 116           2HD      TYR 116  -5.579 -10.643  11.152
  910    HE1  TYR 116           1HE      TYR 116  -2.178  -7.293  12.336
  911    HE2  TYR 116           2HE      TYR 116  -3.628 -11.300  12.494
  912    HH   TYR 116           HH       TYR 116  -1.855 -10.553  13.657
  913    H    ASP 117           H        ASP 117  -6.702  -5.283   7.616
  914    HA   ASP 117           HA       ASP 117  -7.176  -3.391   9.693
  915   1HB   ASP 117          2HB       ASP 117  -4.602  -3.638   9.542
  916   2HB   ASP 117          1HB       ASP 117  -4.756  -2.819   7.996
  917    H    MET 118           H        MET 118  -6.077  -3.750   6.354
  918    HA   MET 118           HA       MET 118  -7.024  -1.478   5.164
  919   1HB   MET 118          2HB       MET 118  -7.059  -2.756   3.103
  920   2HB   MET 118          1HB       MET 118  -5.659  -3.194   4.074
  921   1HG   MET 118          2HG       MET 118  -7.191  -5.107   4.940
  922   2HG   MET 118          1HG       MET 118  -8.115  -4.778   3.475
  923   1HE   MET 118          1HE       MET 118  -4.760  -4.973   4.893
  924   2HE   MET 118          2HE       MET 118  -3.734  -5.074   3.462
  925   3HE   MET 118          3HE       MET 118  -4.200  -6.544   4.318
  926    H    LYS 119           H        LYS 119  -8.818  -4.340   6.020
  927    HA   LYS 119           HA       LYS 119 -11.201  -3.622   4.617
  928   1HB   LYS 119          2HB       LYS 119 -12.145  -5.520   6.098
  929   2HB   LYS 119          1HB       LYS 119 -10.935  -5.905   4.876
  930   1HG   LYS 119          2HG       LYS 119  -9.191  -5.817   6.608
  931   2HG   LYS 119          1HG       LYS 119 -10.445  -5.537   7.824
  932   1HD   LYS 119          2HD       LYS 119  -9.834  -7.883   7.802
  933   2HD   LYS 119          1HD       LYS 119 -11.486  -7.689   7.213
  934   1HE   LYS 119          2HE       LYS 119 -10.240  -9.294   5.856
  935   2HE   LYS 119          1HE       LYS 119 -10.699  -7.877   4.912
  936   1HZ   LYS 119          1HZ       LYS 119  -8.146  -8.934   5.295
  937   2HZ   LYS 119          2HZ       LYS 119  -8.176  -7.424   6.058
  938   3HZ   LYS 119          3HZ       LYS 119  -8.581  -7.551   4.419
  939    H    ASN 120           H        ASN 120  -9.910  -1.999   6.927
  940    HA   ASN 120           HA       ASN 120 -12.468  -1.241   8.147
  941   1HB   ASN 120          2HB       ASN 120  -9.878  -1.321   9.706
  942   2HB   ASN 120          1HB       ASN 120 -11.503  -1.071  10.332
  943   1HD2  ASN 120          1HD2      ASN 120  -9.115  -3.171  10.288
  944   2HD2  ASN 120          2HD2      ASN 120  -9.970  -4.669  10.377
  945    H    ARG 121           H        ARG 121 -10.453  -0.382   6.025
  946    HA   ARG 121           HA       ARG 121 -10.435   2.452   6.698
  947   1HB   ARG 121          2HB       ARG 121  -7.932   1.018   5.787
  948   2HB   ARG 121          1HB       ARG 121  -8.081   2.723   6.181
  949   1HG   ARG 121          2HG       ARG 121  -8.574   0.569   8.209
  950   2HG   ARG 121          1HG       ARG 121  -6.964   1.211   7.893
  951   1HD   ARG 121          2HD       ARG 121  -7.947   3.506   8.331
  952   2HD   ARG 121          1HD       ARG 121  -9.386   2.676   8.920
  953    HE   ARG 121           HE       ARG 121  -7.023   3.114  10.366
  954   1HH1  ARG 121          1HH1      ARG 121  -9.333   0.571   9.753
  955   2HH1  ARG 121          2HH1      ARG 121  -9.052  -0.217  11.269
  956   1HH2  ARG 121          1HH2      ARG 121  -6.653   2.079  12.354
  957   2HH2  ARG 121          2HH2      ARG 121  -7.533   0.637  12.745
  958    H    GLY 122           H        GLY 122 -10.214   3.805   4.828
  959   1HA   GLY 122          2HA       GLY 122 -10.982   2.444   2.347
  960   2HA   GLY 122          1HA       GLY 122 -11.108   4.167   2.670
  961    H    PHE 123           H        PHE 123  -8.234   3.570   3.849
  962    HA   PHE 123           HA       PHE 123  -6.786   4.770   1.768
  963   1HB   PHE 123          2HB       PHE 123  -5.962   5.001   3.983
  964   2HB   PHE 123          1HB       PHE 123  -5.997   3.269   4.262
  965    HD1  PHE 123           1HD      PHE 123  -3.770   2.814   4.881
  966    HD2  PHE 123           2HD      PHE 123  -4.575   5.071   1.366
  967    HE1  PHE 123           1HE      PHE 123  -1.392   2.690   4.254
  968    HE2  PHE 123           2HE      PHE 123  -2.202   4.950   0.736
  969    HZ   PHE 123           HZ       PHE 123  -0.582   3.722   2.290
  970    H    MET 124           H        MET 124  -7.247   1.463   2.765
  971    HA   MET 124           HA       MET 124  -5.523   0.465   0.650
  972   1HB   MET 124          2HB       MET 124  -7.150  -1.076   2.680
  973   2HB   MET 124          1HB       MET 124  -5.887  -1.719   1.640
  974   1HG   MET 124          2HG       MET 124  -4.896  -1.467   3.742
  975   2HG   MET 124          1HG       MET 124  -4.304  -0.110   2.785
  976   1HE   MET 124          1HE       MET 124  -3.556   1.049   5.262
  977   2HE   MET 124          2HE       MET 124  -4.168  -0.472   5.910
  978   3HE   MET 124          3HE       MET 124  -4.707   1.060   6.599
  979    H    LEU 125           H        LEU 125  -8.830  -0.285   1.714
  980    HA   LEU 125           HA       LEU 125  -9.628  -1.751  -0.472
  981   1HB   LEU 125          2HB       LEU 125 -11.343   0.016   1.262
  982   2HB   LEU 125          1HB       LEU 125 -11.937  -1.251   0.212
  983    HG   LEU 125           HG       LEU 125 -10.212  -1.623   2.654
  984   1HD1  LEU 125          1HD1      LEU 125 -12.299  -2.955   3.330
  985   2HD1  LEU 125          2HD1      LEU 125 -13.115  -2.021   2.077
  986   3HD1  LEU 125          3HD1      LEU 125 -12.348  -1.196   3.433
  987   1HD2  LEU 125          1HD2      LEU 125 -11.244  -4.076   1.873
  988   2HD2  LEU 125          2HD2      LEU 125  -9.568  -3.545   1.735
  989   3HD2  LEU 125          3HD2      LEU 125 -10.673  -3.337   0.376
  990    H    TRP 126           H        TRP 126  -9.889   1.817  -0.164
  991    HA   TRP 126           HA       TRP 126 -11.555   2.042  -2.438
  992   1HB   TRP 126          2HB       TRP 126 -11.453   3.797  -0.778
  993   2HB   TRP 126          1HB       TRP 126  -9.768   4.114  -1.172
  994    HD1  TRP 126           HD       TRP 126 -10.089   6.553  -1.972
  995    HE1  TRP 126           1HE      TRP 126 -11.225   7.637  -4.013
  996    HE3  TRP 126           3HE      TRP 126 -12.719   2.513  -3.679
  997    HZ2  TRP 126           2HZ      TRP 126 -12.995   6.879  -6.075
  998    HZ3  TRP 126           3HZ      TRP 126 -14.109   2.780  -5.693
  999    HH2  TRP 126           HH       TRP 126 -14.244   4.917  -6.863
 1000    HA   PRO 127           HA       PRO 127  -7.665   3.218  -5.030
 1001   1HB   PRO 127          2HB       PRO 127  -5.343   2.391  -3.437
 1002   2HB   PRO 127          1HB       PRO 127  -5.653   3.924  -4.257
 1003   1HG   PRO 127          2HG       PRO 127  -5.696   3.728  -1.583
 1004   2HG   PRO 127          1HG       PRO 127  -6.797   4.808  -2.462
 1005   1HD   PRO 127          2HD       PRO 127  -7.337   2.088  -1.307
 1006   2HD   PRO 127          1HD       PRO 127  -8.337   3.558  -1.234
 1007    H    LEU 128           H        LEU 128  -7.116   0.398  -2.923
 1008    HA   LEU 128           HA       LEU 128  -5.781  -1.187  -4.848
 1009   1HB   LEU 128          2HB       LEU 128  -6.524  -1.426  -2.180
 1010   2HB   LEU 128          1HB       LEU 128  -7.432  -2.677  -2.993
 1011    HG   LEU 128           HG       LEU 128  -5.328  -3.596  -3.882
 1012   1HD1  LEU 128          1HD1      LEU 128  -3.797  -1.848  -3.951
 1013   2HD1  LEU 128          2HD1      LEU 128  -3.261  -2.775  -2.548
 1014   3HD1  LEU 128          3HD1      LEU 128  -4.202  -1.298  -2.325
 1015   1HD2  LEU 128          1HD2      LEU 128  -6.467  -4.166  -1.619
 1016   2HD2  LEU 128          2HD2      LEU 128  -5.070  -3.358  -0.909
 1017   3HD2  LEU 128          3HD2      LEU 128  -4.841  -4.770  -1.941
 1018    H    PHE 129           H        PHE 129  -9.135  -0.704  -4.025
 1019    HA   PHE 129           HA       PHE 129 -10.351  -2.798  -5.439
 1020   1HB   PHE 129          2HB       PHE 129 -11.617  -1.456  -3.881
 1021   2HB   PHE 129          1HB       PHE 129 -11.310   0.012  -4.794
 1022    HD1  PHE 129           1HD      PHE 129 -13.020   0.820  -6.072
 1023    HD2  PHE 129           2HD      PHE 129 -12.809  -3.365  -5.338
 1024    HE1  PHE 129           1HE      PHE 129 -15.133   0.504  -7.291
 1025    HE2  PHE 129           2HE      PHE 129 -14.920  -3.689  -6.559
 1026    HZ   PHE 129           HZ       PHE 129 -16.085  -1.754  -7.536
 1027    H    GLU 130           H        GLU 130  -8.630  -0.105  -6.603
 1028    HA   GLU 130           HA       GLU 130  -9.947  -0.182  -9.215
 1029   1HB   GLU 130          2HB       GLU 130  -9.717   2.027  -8.169
 1030   2HB   GLU 130          1HB       GLU 130  -7.973   1.815  -8.098
 1031   1HG   GLU 130          2HG       GLU 130  -8.595   3.247  -9.948
 1032   2HG   GLU 130          1HG       GLU 130  -7.872   1.750 -10.532
 1033    H    ILE 131           H        ILE 131  -6.863  -0.757  -7.622
 1034    HA   ILE 131           HA       ILE 131  -5.365  -0.993 -10.034
 1035    HB   ILE 131           HB       ILE 131  -3.559  -1.735  -8.715
 1036   1HG1  ILE 131          2HG1      ILE 131  -5.493  -2.354  -6.459
 1037   2HG1  ILE 131          1HG1      ILE 131  -4.799  -3.569  -7.524
 1038   1HG2  ILE 131          1HG2      ILE 131  -5.352   0.173  -7.248
 1039   2HG2  ILE 131          2HG2      ILE 131  -3.957   0.528  -8.268
 1040   3HG2  ILE 131          3HG2      ILE 131  -3.726  -0.202  -6.680
 1041   1HD1  ILE 131          1HD1      ILE 131  -3.682  -3.388  -5.334
 1042   2HD1  ILE 131          2HD1      ILE 131  -3.193  -1.746  -5.759
 1043   3HD1  ILE 131          3HD1      ILE 131  -2.603  -3.116  -6.702
 1044    H    ALA 132           H        ALA 132  -7.280  -3.142  -8.102
 1045    HA   ALA 132           HA       ALA 132  -7.976  -4.942  -9.985
 1046   1HB   ALA 132          1HB       ALA 132  -6.425  -6.914  -9.506
 1047   2HB   ALA 132          2HB       ALA 132  -5.310  -5.723  -8.837
 1048   3HB   ALA 132          3HB       ALA 132  -5.793  -5.627 -10.531
 1049    HA   PRO 133           HA       PRO 133  -9.581  -5.919  -5.804
 1050   1HB   PRO 133          2HB       PRO 133 -12.133  -5.350  -6.177
 1051   2HB   PRO 133          1HB       PRO 133 -10.938  -4.042  -6.041
 1052   1HG   PRO 133          2HG       PRO 133 -12.175  -5.226  -8.513
 1053   2HG   PRO 133          1HG       PRO 133 -11.947  -3.519  -8.091
 1054   1HD   PRO 133          2HD       PRO 133 -10.236  -4.961  -9.707
 1055   2HD   PRO 133          1HD       PRO 133  -9.765  -3.515  -8.787
 1056    H    GLU 134           H        GLU 134  -9.373  -7.506  -8.527
 1057    HA   GLU 134           HA       GLU 134 -11.586  -9.361  -8.271
 1058   1HB   GLU 134          2HB       GLU 134 -10.599 -10.476 -10.205
 1059   2HB   GLU 134          1HB       GLU 134 -10.723  -8.746 -10.498
 1060   1HG   GLU 134          2HG       GLU 134  -8.334  -8.523  -9.878
 1061   2HG   GLU 134          1HG       GLU 134  -8.247 -10.277  -9.744
 1062    H    LEU 135           H        LEU 135  -9.256  -8.906  -6.298
 1063    HA   LEU 135           HA       LEU 135  -7.967 -11.483  -6.210
 1064   1HB   LEU 135          2HB       LEU 135  -7.125  -9.088  -5.455
 1065   2HB   LEU 135          1HB       LEU 135  -7.876  -9.556  -3.942
 1066    HG   LEU 135           HG       LEU 135  -5.653 -11.031  -5.356
 1067   1HD1  LEU 135          1HD1      LEU 135  -5.235 -10.041  -2.646
 1068   2HD1  LEU 135          2HD1      LEU 135  -5.470  -8.771  -3.848
 1069   3HD1  LEU 135          3HD1      LEU 135  -4.186  -9.961  -4.060
 1070   1HD2  LEU 135          1HD2      LEU 135  -7.483 -11.869  -3.261
 1071   2HD2  LEU 135          2HD2      LEU 135  -5.796 -11.953  -2.757
 1072   3HD2  LEU 135          3HD2      LEU 135  -6.325 -12.817  -4.200
 1073    H    VAL 136           H        VAL 136  -8.343 -13.105  -4.799
 1074    HA   VAL 136           HA       VAL 136 -10.506 -12.784  -2.845
 1075    HB   VAL 136           HB       VAL 136 -11.556 -13.895  -4.703
 1076   1HG1  VAL 136          1HG1      VAL 136  -9.623 -14.723  -5.882
 1077   2HG1  VAL 136          2HG1      VAL 136 -10.707 -16.071  -5.542
 1078   3HG1  VAL 136          3HG1      VAL 136  -9.252 -15.842  -4.571
 1079   1HG2  VAL 136          1HG2      VAL 136 -12.130 -16.094  -3.649
 1080   2HG2  VAL 136          2HG2      VAL 136 -12.277 -14.700  -2.577
 1081   3HG2  VAL 136          3HG2      VAL 136 -10.882 -15.772  -2.442
 1082    H    PHE 137           H        PHE 137 -10.223 -13.935  -0.933
 1083    HA   PHE 137           HA       PHE 137  -7.531 -14.776  -0.386
 1084   1HB   PHE 137          2HB       PHE 137 -10.031 -14.750   1.329
 1085   2HB   PHE 137          1HB       PHE 137  -8.434 -15.190   1.919
 1086    HD1  PHE 137           1HD      PHE 137  -9.540 -12.420  -0.312
 1087    HD2  PHE 137           2HD      PHE 137  -7.769 -13.527   3.396
 1088    HE1  PHE 137           1HE      PHE 137  -9.074 -10.055   0.170
 1089    HE2  PHE 137           2HE      PHE 137  -7.304 -11.164   3.885
 1090    HZ   PHE 137           HZ       PHE 137  -7.965  -9.433   2.325
 1091    HA   PRO 138           HA       PRO 138  -7.632 -19.174  -0.830
 1092   1HB   PRO 138          2HB       PRO 138  -7.482 -19.377   2.151
 1093   2HB   PRO 138          1HB       PRO 138  -6.525 -20.214   0.924
 1094   1HG   PRO 138          2HG       PRO 138  -5.499 -18.169   2.267
 1095   2HG   PRO 138          1HG       PRO 138  -5.180 -18.361   0.533
 1096   1HD   PRO 138          2HD       PRO 138  -6.979 -16.443   1.928
 1097   2HD   PRO 138          1HD       PRO 138  -6.051 -16.237   0.429
 1098    H    ASP 139           H        ASP 139  -9.720 -17.553   1.379
 1099    HA   ASP 139           HA       ASP 139 -11.578 -19.763   1.670
 1100   1HB   ASP 139          2HB       ASP 139 -11.435 -16.954   2.730
 1101   2HB   ASP 139          1HB       ASP 139 -12.904 -17.902   2.891
 1102    H    GLY 140           H        GLY 140 -12.419 -16.395   1.050
 1103   1HA   GLY 140          2HA       GLY 140 -13.404 -16.840  -1.599
 1104   2HA   GLY 140          1HA       GLY 140 -14.703 -16.850  -0.417
 1105    H    GLU 141           H        GLU 141 -13.091 -14.864   1.226
 1106    HA   GLU 141           HA       GLU 141 -14.381 -12.537   0.572
 1107   1HB   GLU 141          2HB       GLU 141 -13.169 -12.979   2.689
 1108   2HB   GLU 141          1HB       GLU 141 -11.646 -12.781   1.830
 1109   1HG   GLU 141          2HG       GLU 141 -12.189 -10.470   1.349
 1110   2HG   GLU 141          1HG       GLU 141 -13.752 -10.660   2.136
 1111    H    MET 142           H        MET 142 -13.773 -10.609  -0.487
 1112    HA   MET 142           HA       MET 142 -11.415 -10.681  -2.208
 1113   1HB   MET 142          2HB       MET 142 -14.218 -10.196  -3.232
 1114   2HB   MET 142          1HB       MET 142 -12.750  -9.976  -4.173
 1115   1HG   MET 142          2HG       MET 142 -12.253 -12.359  -3.950
 1116   2HG   MET 142          1HG       MET 142 -13.729 -12.575  -3.011
 1117   1HE   MET 142          1HE       MET 142 -13.156 -11.805  -7.419
 1118   2HE   MET 142          2HE       MET 142 -12.233 -11.128  -6.076
 1119   3HE   MET 142          3HE       MET 142 -13.700 -10.325  -6.630
 1120    H    LEU 143           H        LEU 143 -10.993  -8.480  -3.226
 1121    HA   LEU 143           HA       LEU 143 -11.160  -6.477  -1.272
 1122   1HB   LEU 143          2HB       LEU 143  -9.443  -6.710  -3.069
 1123   2HB   LEU 143          1HB       LEU 143 -10.651  -6.205  -4.234
 1124    HG   LEU 143           HG       LEU 143 -10.781  -4.012  -3.196
 1125   1HD1  LEU 143          1HD1      LEU 143  -9.617  -5.344  -0.983
 1126   2HD1  LEU 143          2HD1      LEU 143 -10.151  -3.668  -1.092
 1127   3HD1  LEU 143          3HD1      LEU 143  -8.490  -4.092  -1.505
 1128   1HD2  LEU 143          1HD2      LEU 143  -7.978  -4.951  -3.766
 1129   2HD2  LEU 143          2HD2      LEU 143  -8.501  -3.267  -3.732
 1130   3HD2  LEU 143          3HD2      LEU 143  -9.155  -4.369  -4.944
 1131    H    ARG 144           H        ARG 144 -13.250  -7.518  -3.787
 1132    HA   ARG 144           HA       ARG 144 -14.835  -5.092  -3.836
 1133   1HB   ARG 144          2HB       ARG 144 -14.655  -6.309  -5.907
 1134   2HB   ARG 144          1HB       ARG 144 -15.189  -7.799  -5.139
 1135   1HG   ARG 144          2HG       ARG 144 -16.939  -6.767  -6.515
 1136   2HG   ARG 144          1HG       ARG 144 -17.403  -6.878  -4.816
 1137   1HD   ARG 144          2HD       ARG 144 -16.757  -4.519  -4.516
 1138   2HD   ARG 144          1HD       ARG 144 -16.366  -4.423  -6.230
 1139    HE   ARG 144           HE       ARG 144 -18.922  -4.153  -5.080
 1140   1HH1  ARG 144          1HH1      ARG 144 -17.332  -5.601  -7.824
 1141   2HH1  ARG 144          2HH1      ARG 144 -18.742  -5.560  -8.825
 1142   1HH2  ARG 144          1HH2      ARG 144 -20.781  -4.094  -6.391
 1143   2HH2  ARG 144          2HH2      ARG 144 -20.704  -4.702  -8.013
 1144    H    GLN 145           H        GLN 145 -14.982  -8.340  -2.512
 1145    HA   GLN 145           HA       GLN 145 -17.622  -8.209  -1.509
 1146   1HB   GLN 145          2HB       GLN 145 -16.531 -10.342  -1.801
 1147   2HB   GLN 145          1HB       GLN 145 -15.247  -9.890  -0.693
 1148   1HG   GLN 145          2HG       GLN 145 -18.079  -9.988   0.250
 1149   2HG   GLN 145          1HG       GLN 145 -17.141 -11.469   0.093
 1150   1HE2  GLN 145          1HE2      GLN 145 -14.954  -9.133   0.793
 1151   2HE2  GLN 145          2HE2      GLN 145 -14.902  -9.281   2.508
 1152    H    ILE 146           H        ILE 146 -14.489  -7.286  -0.202
 1153    HA   ILE 146           HA       ILE 146 -15.343  -6.860   2.453
 1154    HB   ILE 146           HB       ILE 146 -13.044  -5.569   0.976
 1155   1HG1  ILE 146          2HG1      ILE 146 -13.138  -7.961   2.832
 1156   2HG1  ILE 146          1HG1      ILE 146 -12.912  -8.029   1.089
 1157   1HG2  ILE 146          1HG2      ILE 146 -13.838  -5.579   3.872
 1158   2HG2  ILE 146          2HG2      ILE 146 -13.451  -4.204   2.838
 1159   3HG2  ILE 146          3HG2      ILE 146 -12.173  -5.299   3.361
 1160   1HD1  ILE 146          1HD1      ILE 146 -11.012  -7.268   3.223
 1161   2HD1  ILE 146          2HD1      ILE 146 -10.874  -6.440   1.671
 1162   3HD1  ILE 146          3HD1      ILE 146 -10.753  -8.198   1.747
 1163    H    LEU 147           H        LEU 147 -15.108  -4.698  -0.365
 1164    HA   LEU 147           HA       LEU 147 -15.977  -2.415   1.086
 1165   1HB   LEU 147          2HB       LEU 147 -15.698  -3.038  -1.827
 1166   2HB   LEU 147          1HB       LEU 147 -16.594  -1.614  -1.335
 1167    HG   LEU 147           HG       LEU 147 -13.674  -2.205  -0.898
 1168   1HD1  LEU 147          1HD1      LEU 147 -13.291  -0.662  -2.471
 1169   2HD1  LEU 147          2HD1      LEU 147 -14.556   0.409  -1.862
 1170   3HD1  LEU 147          3HD1      LEU 147 -14.972  -0.931  -2.933
 1171   1HD2  LEU 147          1HD2      LEU 147 -14.324   0.352   0.101
 1172   2HD2  LEU 147          2HD2      LEU 147 -13.683  -1.031   0.986
 1173   3HD2  LEU 147          3HD2      LEU 147 -15.426  -0.796   0.860
 1174    H    HIS 148           H        HIS 148 -17.571  -5.116  -0.357
 1175    HA   HIS 148           HA       HIS 148 -20.125  -4.056  -0.817
 1176   1HB   HIS 148          2HB       HIS 148 -19.319  -6.387  -1.412
 1177   2HB   HIS 148          1HB       HIS 148 -19.540  -6.821   0.278
 1178    HD1  HIS 148           1HD      HIS 148 -21.184  -8.574  -1.165
 1179    HD2  HIS 148           2HD      HIS 148 -22.466  -4.658  -0.624
 1180    HE1  HIS 148           1HE      HIS 148 -23.667  -8.617  -1.561
 1181    HE2  HIS 148           2HE      HIS 148 -24.420  -6.233  -1.242
 1182    H    THR 149           H        THR 149 -18.331  -4.606   2.014
 1183    HA   THR 149           HA       THR 149 -20.663  -4.328   3.762
 1184    HB   THR 149           HB       THR 149 -17.798  -5.111   4.336
 1185    HG1  THR 149           1HG      THR 149 -20.141  -6.640   4.704
 1186   1HG2  THR 149          1HG2      THR 149 -19.224  -3.837   6.174
 1187   2HG2  THR 149          2HG2      THR 149 -18.168  -5.194   6.569
 1188   3HG2  THR 149          3HG2      THR 149 -19.903  -5.448   6.387
 1189    H    ARG 150           H        ARG 150 -17.706  -2.758   2.734
 1190    HA   ARG 150           HA       ARG 150 -18.164  -0.525   4.584
 1191   1HB   ARG 150          2HB       ARG 150 -15.835  -1.093   2.738
 1192   2HB   ARG 150          1HB       ARG 150 -15.944   0.272   3.837
 1193   1HG   ARG 150          2HG       ARG 150 -15.890  -2.621   4.677
 1194   2HG   ARG 150          1HG       ARG 150 -14.506  -1.533   4.675
 1195   1HD   ARG 150          2HD       ARG 150 -15.328  -1.614   6.901
 1196   2HD   ARG 150          1HD       ARG 150 -15.784  -0.047   6.234
 1197    HE   ARG 150           HE       ARG 150 -17.900  -1.833   5.826
 1198   1HH1  ARG 150          1HH1      ARG 150 -16.249  -0.223   8.440
 1199   2HH1  ARG 150          2HH1      ARG 150 -17.639  -0.198   9.472
 1200   1HH2  ARG 150          1HH2      ARG 150 -19.732  -1.806   7.179
 1201   2HH2  ARG 150          2HH2      ARG 150 -19.619  -1.098   8.757
 1202    H    ALA 151           H        ALA 151 -17.105  -0.818   1.201
 1203    HA   ALA 151           HA       ALA 151 -17.599   0.327  -0.688
 1204   1HB   ALA 151          1HB       ALA 151 -20.216   0.602   0.764
 1205   2HB   ALA 151          2HB       ALA 151 -19.792  -0.530  -0.519
 1206   3HB   ALA 151          3HB       ALA 151 -19.966   1.186  -0.882
 1207    H    PHE 152           H        PHE 152 -16.118   1.757   1.226
 1208    HA   PHE 152           HA       PHE 152 -17.225   4.438   1.056
 1209   1HB   PHE 152          2HB       PHE 152 -15.381   4.937   2.752
 1210   2HB   PHE 152          1HB       PHE 152 -16.747   3.958   3.249
 1211    HD1  PHE 152           1HD      PHE 152 -14.039   2.483   1.254
 1212    HD2  PHE 152           2HD      PHE 152 -15.624   3.103   5.156
 1213    HE1  PHE 152           1HE      PHE 152 -12.535   0.754   2.140
 1214    HE2  PHE 152           2HE      PHE 152 -14.122   1.374   6.045
 1215    HZ   PHE 152           HZ       PHE 152 -12.574   0.196   4.537
 1216    H    ASP 153           H        ASP 153 -16.721   4.926  -1.053
 1217    HA   ASP 153           HA       ASP 153 -14.063   4.768  -2.100
 1218   1HB   ASP 153          2HB       ASP 153 -16.443   6.355  -3.099
 1219   2HB   ASP 153          1HB       ASP 153 -14.981   5.994  -4.013
 1220    H    LYS 154           H        LYS 154 -14.073   6.050   0.347
 1221    HA   LYS 154           HA       LYS 154 -14.177   8.838   0.329
 1222   1HB   LYS 154          2HB       LYS 154 -12.470   6.984   2.002
 1223   2HB   LYS 154          1HB       LYS 154 -12.860   8.657   2.397
 1224   1HG   LYS 154          2HG       LYS 154 -15.234   8.044   2.548
 1225   2HG   LYS 154          1HG       LYS 154 -14.808   6.369   2.191
 1226   1HD   LYS 154          2HD       LYS 154 -13.800   7.949   4.559
 1227   2HD   LYS 154          1HD       LYS 154 -15.118   6.775   4.608
 1228   1HE   LYS 154          2HE       LYS 154 -13.586   5.003   3.928
 1229   2HE   LYS 154          1HE       LYS 154 -12.270   6.170   3.806
 1230   1HZ   LYS 154          1HZ       LYS 154 -12.798   4.700   5.982
 1231   2HZ   LYS 154          2HZ       LYS 154 -13.621   6.127   6.361
 1232   3HZ   LYS 154          3HZ       LYS 154 -11.967   6.175   6.012
 1233    H    LEU 155           H        LEU 155 -11.328   8.867   1.565
 1234    HA   LEU 155           HA       LEU 155  -9.319   9.732   0.945
 1235   1HB   LEU 155          2HB       LEU 155  -9.543   7.801  -1.360
 1236   2HB   LEU 155          1HB       LEU 155  -8.072   8.457  -0.676
 1237    HG   LEU 155           HG       LEU 155  -8.574   7.174   1.437
 1238   1HD1  LEU 155          1HD1      LEU 155 -10.156   5.295   1.238
 1239   2HD1  LEU 155          2HD1      LEU 155 -10.731   5.976  -0.281
 1240   3HD1  LEU 155          3HD1      LEU 155 -10.945   6.871   1.222
 1241   1HD2  LEU 155          1HD2      LEU 155  -7.754   5.111   0.561
 1242   2HD2  LEU 155          2HD2      LEU 155  -7.027   6.431  -0.353
 1243   3HD2  LEU 155          3HD2      LEU 155  -8.353   5.501  -1.050
 1244    H    ASN 156           H        ASN 156 -10.659  11.724   0.329
 1245    HA   ASN 156           HA       ASN 156 -11.306  12.319  -2.327
 1246   1HB   ASN 156          2HB       ASN 156 -11.216  14.692  -1.630
 1247   2HB   ASN 156          1HB       ASN 156 -12.101  13.696  -0.478
 1248   1HD2  ASN 156          1HD2      ASN 156  -9.950  16.117  -0.724
 1249   2HD2  ASN 156          2HD2      ASN 156  -9.122  15.943   0.781
 1250    H    LYS 157           H        LYS 157 -10.106  12.802  -4.069
 1251    HA   LYS 157           HA       LYS 157  -7.448  12.312  -4.316
 1252   1HB   LYS 157          2HB       LYS 157  -9.063  14.335  -5.868
 1253   2HB   LYS 157          1HB       LYS 157  -7.473  13.761  -6.347
 1254   1HG   LYS 157          2HG       LYS 157  -9.982  12.113  -6.103
 1255   2HG   LYS 157          1HG       LYS 157  -9.167  12.598  -7.591
 1256   1HD   LYS 157          2HD       LYS 157  -7.185  11.309  -6.898
 1257   2HD   LYS 157          1HD       LYS 157  -8.060  10.774  -5.461
 1258   1HE   LYS 157          2HE       LYS 157  -8.840  10.239  -8.325
 1259   2HE   LYS 157          1HE       LYS 157  -8.125   9.077  -7.209
 1260   1HZ   LYS 157          1HZ       LYS 157 -10.807  10.327  -7.042
 1261   2HZ   LYS 157          2HZ       LYS 157 -10.114   9.465  -5.762
 1262   3HZ   LYS 157          3HZ       LYS 157 -10.439   8.686  -7.228
 1263    H    TRP 158           H        TRP 158  -5.546  13.478  -4.398
 1264    HA   TRP 158           HA       TRP 158  -4.900  15.172  -2.378
 1265   1HB   TRP 158          2HB       TRP 158  -3.247  14.061  -3.796
 1266   2HB   TRP 158          1HB       TRP 158  -3.685  15.094  -5.147
 1267    HD1  TRP 158           HD       TRP 158  -2.018  16.984  -5.519
 1268    HE1  TRP 158           1HE      TRP 158  -0.410  18.358  -4.049
 1269    HE3  TRP 158           3HE      TRP 158  -3.102  14.915  -0.970
 1270    HZ2  TRP 158           2HZ      TRP 158   0.304  18.537  -1.326
 1271    HZ3  TRP 158           3HZ      TRP 158  -1.910  15.743   1.015
 1272    HH2  TRP 158           HH       TRP 158  -0.242  17.517   0.840
  Start of MODEL   11
    1   1H    THR   1          1HT       THR   1   2.429 -13.340 -10.089
    2   2H    THR   1          2HT       THR   1   0.849 -13.117 -10.651
    3   3H    THR   1          3HT       THR   1   1.276 -14.559  -9.878
    4    HA   THR   1           HA       THR   1   0.040 -13.261  -8.343
    5    HB   THR   1           HB       THR   1   3.014 -13.183  -7.774
    6    HG1  THR   1           1HG      THR   1   2.754 -15.217  -7.038
    7   1HG2  THR   1          1HG2      THR   1   0.674 -13.092  -5.889
    8   2HG2  THR   1          2HG2      THR   1   1.938 -11.879  -6.098
    9   3HG2  THR   1          3HG2      THR   1   2.331 -13.452  -5.406
   10    H    VAL   2           H        VAL   2  -0.414 -11.304  -7.310
   11    HA   VAL   2           HA       VAL   2   0.920  -8.942  -8.464
   12    HB   VAL   2           HB       VAL   2  -1.993  -9.262  -7.737
   13   1HG1  VAL   2          1HG1      VAL   2  -0.406  -6.822  -8.487
   14   2HG1  VAL   2          2HG1      VAL   2  -1.422  -7.070  -7.067
   15   3HG1  VAL   2          3HG1      VAL   2  -2.158  -6.910  -8.663
   16   1HG2  VAL   2          1HG2      VAL   2  -0.481  -9.083 -10.300
   17   2HG2  VAL   2          2HG2      VAL   2  -2.127  -8.457 -10.210
   18   3HG2  VAL   2          3HG2      VAL   2  -1.808 -10.155  -9.849
   19    H    ALA   3           H        ALA   3   1.390  -7.236  -7.132
   20    HA   ALA   3           HA       ALA   3   1.109  -7.763  -4.254
   21   1HB   ALA   3          1HB       ALA   3   2.952  -5.642  -4.836
   22   2HB   ALA   3          2HB       ALA   3   3.357  -7.081  -5.775
   23   3HB   ALA   3          3HB       ALA   3   3.232  -7.179  -4.017
   24    H    TYR   4           H        TYR   4  -0.731  -6.838  -3.664
   25    HA   TYR   4           HA       TYR   4  -1.592  -4.261  -4.672
   26   1HB   TYR   4          2HB       TYR   4  -2.771  -6.011  -2.513
   27   2HB   TYR   4          1HB       TYR   4  -3.560  -4.654  -3.310
   28    HD1  TYR   4           1HD      TYR   4  -2.017  -7.965  -4.049
   29    HD2  TYR   4           2HD      TYR   4  -4.871  -5.036  -5.217
   30    HE1  TYR   4           1HE      TYR   4  -2.885  -9.489  -5.770
   31    HE2  TYR   4           2HE      TYR   4  -5.743  -6.555  -6.935
   32    HH   TYR   4           HH       TYR   4  -4.863  -8.522  -8.267
   33    H    ILE   5           H        ILE   5   0.269  -3.067  -3.918
   34    HA   ILE   5           HA       ILE   5   0.665  -2.775  -1.051
   35    HB   ILE   5           HB       ILE   5   2.091  -1.236  -3.209
   36   1HG1  ILE   5          2HG1      ILE   5   2.833  -3.969  -2.146
   37   2HG1  ILE   5          1HG1      ILE   5   2.160  -3.659  -3.744
   38   1HG2  ILE   5          1HG2      ILE   5   3.946  -1.666  -1.375
   39   2HG2  ILE   5          2HG2      ILE   5   2.534  -1.823  -0.330
   40   3HG2  ILE   5          3HG2      ILE   5   2.800  -0.332  -1.236
   41   1HD1  ILE   5          1HD1      ILE   5   4.441  -3.868  -4.114
   42   2HD1  ILE   5          2HD1      ILE   5   4.857  -2.944  -2.671
   43   3HD1  ILE   5          3HD1      ILE   5   4.180  -2.123  -4.077
   44    H    ALA   6           H        ALA   6   0.965  -0.547  -0.159
   45    HA   ALA   6           HA       ALA   6  -0.831   1.440  -1.375
   46   1HB   ALA   6          1HB       ALA   6  -1.503  -0.057   0.870
   47   2HB   ALA   6          2HB       ALA   6  -2.280   1.426   0.316
   48   3HB   ALA   6          3HB       ALA   6  -0.985   1.501   1.512
   49    H    ILE   7           H        ILE   7   0.300   3.246  -1.707
   50    HA   ILE   7           HA       ILE   7   2.778   3.747  -0.306
   51    HB   ILE   7           HB       ILE   7   1.394   5.602  -2.236
   52   1HG1  ILE   7          2HG1      ILE   7   1.569   3.443  -3.328
   53   2HG1  ILE   7          1HG1      ILE   7   2.766   4.535  -4.009
   54   1HG2  ILE   7          1HG2      ILE   7   3.511   6.581  -2.571
   55   2HG2  ILE   7          2HG2      ILE   7   4.340   5.262  -1.747
   56   3HG2  ILE   7          3HG2      ILE   7   3.345   6.391  -0.826
   57   1HD1  ILE   7          1HD1      ILE   7   3.654   2.827  -1.774
   58   2HD1  ILE   7          2HD1      ILE   7   4.505   3.324  -3.236
   59   3HD1  ILE   7          3HD1      ILE   7   3.312   2.028  -3.308
   60    H    GLY   8           H        GLY   8   3.253   5.731   0.870
   61   1HA   GLY   8          2HA       GLY   8   1.009   7.378   1.680
   62   2HA   GLY   8          1HA       GLY   8   1.659   6.358   2.949
   63    H    SER   9           H        SER   9   2.066   9.206   1.087
   64    HA   SER   9           HA       SER   9   4.599   9.800   2.472
   65   1HB   SER   9          2HB       SER   9   4.885   9.838   0.065
   66   2HB   SER   9          1HB       SER   9   3.493  10.896  -0.119
   67    HG   SER   9           HG       SER   9   4.623  12.555   0.733
   68    H    ASN  10           H        ASN  10   4.848  11.854   3.458
   69    HA   ASN  10           HA       ASN  10   2.575  13.654   3.523
   70   1HB   ASN  10          2HB       ASN  10   3.491  12.179   5.996
   71   2HB   ASN  10          1HB       ASN  10   2.407  13.565   6.010
   72   1HD2  ASN  10          1HD2      ASN  10   2.508  10.318   6.159
   73   2HD2  ASN  10          2HD2      ASN  10   0.925   9.937   5.567
   74    H    LEU  11           H        LEU  11   5.773  12.868   4.841
   75    HA   LEU  11           HA       LEU  11   6.236  15.735   5.280
   76   1HB   LEU  11          2HB       LEU  11   7.560  13.280   6.394
   77   2HB   LEU  11          1HB       LEU  11   8.293  14.866   6.536
   78    HG   LEU  11           HG       LEU  11   7.090  14.252   8.575
   79   1HD1  LEU  11          1HD1      LEU  11   6.676  16.408   8.860
   80   2HD1  LEU  11          2HD1      LEU  11   5.236  16.298   7.848
   81   3HD1  LEU  11          3HD1      LEU  11   6.803  16.640   7.116
   82   1HD2  LEU  11          1HD2      LEU  11   5.284  12.969   8.292
   83   2HD2  LEU  11          2HD2      LEU  11   4.988  13.574   6.664
   84   3HD2  LEU  11          3HD2      LEU  11   4.430  14.493   8.060
   85    H    ALA  12           H        ALA  12   6.338  15.560   2.768
   86    HA   ALA  12           HA       ALA  12   8.923  16.233   1.986
   87   1HB   ALA  12          1HB       ALA  12   9.127  14.199   0.317
   88   2HB   ALA  12          2HB       ALA  12   8.211  13.371   1.577
   89   3HB   ALA  12          3HB       ALA  12   9.769  14.105   1.956
   90    H    SER  13           H        SER  13   6.807  14.169   0.089
   91    HA   SER  13           HA       SER  13   5.350  16.312  -1.115
   92   1HB   SER  13          2HB       SER  13   7.440  14.879  -2.780
   93   2HB   SER  13          1HB       SER  13   6.209  15.973  -3.413
   94    HG   SER  13           HG       SER  13   7.563  17.508  -2.988
   95    HA   PRO  14           HA       PRO  14   3.124  12.276  -0.538
   96   1HB   PRO  14          2HB       PRO  14   1.099  14.286  -1.410
   97   2HB   PRO  14          1HB       PRO  14   0.953  12.992  -0.219
   98   1HG   PRO  14          2HG       PRO  14   1.376  15.540   0.514
   99   2HG   PRO  14          1HG       PRO  14   2.070  14.177   1.410
  100   1HD   PRO  14          2HD       PRO  14   3.402  16.163  -0.307
  101   2HD   PRO  14          1HD       PRO  14   4.095  15.104   0.934
  102    H    LEU  15           H        LEU  15   2.998  14.553  -3.260
  103    HA   LEU  15           HA       LEU  15   1.882  12.542  -5.016
  104   1HB   LEU  15          2HB       LEU  15   1.185  14.870  -5.229
  105   2HB   LEU  15          1HB       LEU  15   2.834  15.345  -5.583
  106    HG   LEU  15           HG       LEU  15   2.763  14.035  -7.668
  107   1HD1  LEU  15          1HD1      LEU  15   0.272  13.079  -6.486
  108   2HD1  LEU  15          2HD1      LEU  15   1.301  12.346  -7.716
  109   3HD1  LEU  15          3HD1      LEU  15   0.114  13.568  -8.172
  110   1HD2  LEU  15          1HD2      LEU  15   2.123  15.956  -8.570
  111   2HD2  LEU  15          2HD2      LEU  15   1.304  16.412  -7.075
  112   3HD2  LEU  15          3HD2      LEU  15   0.439  15.500  -8.312
  113    H    GLU  16           H        GLU  16   5.023  14.086  -4.517
  114    HA   GLU  16           HA       GLU  16   6.223  12.960  -6.841
  115   1HB   GLU  16          2HB       GLU  16   7.366  14.212  -4.361
  116   2HB   GLU  16          1HB       GLU  16   8.340  13.739  -5.749
  117   1HG   GLU  16          2HG       GLU  16   7.040  15.282  -7.148
  118   2HG   GLU  16          1HG       GLU  16   6.127  15.781  -5.726
  119    H    GLN  17           H        GLN  17   5.891  11.938  -3.517
  120    HA   GLN  17           HA       GLN  17   7.928   9.953  -3.608
  121   1HB   GLN  17          2HB       GLN  17   5.576  10.214  -1.734
  122   2HB   GLN  17          1HB       GLN  17   6.985   9.191  -1.482
  123   1HG   GLN  17          2HG       GLN  17   7.053  12.191  -1.712
  124   2HG   GLN  17          1HG       GLN  17   7.063  11.290  -0.196
  125   1HE2  GLN  17          1HE2      GLN  17   8.982  11.013   0.664
  126   2HE2  GLN  17          2HE2      GLN  17  10.485  10.949  -0.186
  127    H    VAL  18           H        VAL  18   4.583  10.019  -4.543
  128    HA   VAL  18           HA       VAL  18   4.202   7.184  -4.521
  129    HB   VAL  18           HB       VAL  18   2.640   9.323  -5.975
  130   1HG1  VAL  18          1HG1      VAL  18   1.735   6.534  -5.296
  131   2HG1  VAL  18          2HG1      VAL  18   2.422   6.971  -6.861
  132   3HG1  VAL  18          3HG1      VAL  18   0.924   7.724  -6.313
  133   1HG2  VAL  18          1HG2      VAL  18   2.722   9.517  -3.486
  134   2HG2  VAL  18          2HG2      VAL  18   1.974   7.923  -3.392
  135   3HG2  VAL  18          3HG2      VAL  18   1.106   9.261  -4.143
  136    H    ASN  19           H        ASN  19   5.354   9.517  -6.868
  137    HA   ASN  19           HA       ASN  19   5.101   7.937  -9.176
  138   1HB   ASN  19          2HB       ASN  19   7.122  10.094  -8.539
  139   2HB   ASN  19          1HB       ASN  19   6.844   9.418 -10.142
  140   1HD2  ASN  19          1HD2      ASN  19   6.255  12.007  -8.355
  141   2HD2  ASN  19          2HD2      ASN  19   4.734  12.513  -8.997
  142    H    ALA  20           H        ALA  20   7.931   8.414  -7.056
  143    HA   ALA  20           HA       ALA  20   9.453   6.391  -8.413
  144   1HB   ALA  20          1HB       ALA  20  10.451   7.062  -5.783
  145   2HB   ALA  20          2HB       ALA  20  10.051   8.504  -6.717
  146   3HB   ALA  20          3HB       ALA  20  11.182   7.320  -7.367
  147    H    ALA  21           H        ALA  21   7.352   6.472  -5.626
  148    HA   ALA  21           HA       ALA  21   8.200   4.168  -4.297
  149   1HB   ALA  21          1HB       ALA  21   6.627   5.502  -3.182
  150   2HB   ALA  21          2HB       ALA  21   5.758   4.018  -3.571
  151   3HB   ALA  21          3HB       ALA  21   5.503   5.469  -4.540
  152    H    LEU  22           H        LEU  22   5.883   4.550  -6.957
  153    HA   LEU  22           HA       LEU  22   5.551   1.682  -7.191
  154   1HB   LEU  22          2HB       LEU  22   4.027   2.231  -9.047
  155   2HB   LEU  22          1HB       LEU  22   3.602   3.043  -7.555
  156    HG   LEU  22           HG       LEU  22   4.918   5.055  -8.563
  157   1HD1  LEU  22          1HD1      LEU  22   4.389   4.944 -11.146
  158   2HD1  LEU  22          2HD1      LEU  22   4.635   3.217 -10.880
  159   3HD1  LEU  22          3HD1      LEU  22   5.919   4.363 -10.491
  160   1HD2  LEU  22          1HD2      LEU  22   2.301   4.455  -8.332
  161   2HD2  LEU  22          2HD2      LEU  22   2.426   4.664 -10.081
  162   3HD2  LEU  22          3HD2      LEU  22   2.908   5.971  -8.998
  163    H    LYS  23           H        LYS  23   7.231   4.288  -8.825
  164    HA   LYS  23           HA       LYS  23   7.959   2.976 -11.185
  165   1HB   LYS  23          2HB       LYS  23   8.283   5.383 -10.830
  166   2HB   LYS  23          1HB       LYS  23   9.514   5.046  -9.621
  167   1HG   LYS  23          2HG       LYS  23  10.568   5.674 -11.684
  168   2HG   LYS  23          1HG       LYS  23  10.889   3.969 -11.364
  169   1HD   LYS  23          2HD       LYS  23  10.349   4.287 -13.705
  170   2HD   LYS  23          1HD       LYS  23   9.072   3.363 -12.915
  171   1HE   LYS  23          2HE       LYS  23   8.148   5.059 -14.415
  172   2HE   LYS  23          1HE       LYS  23   7.709   5.376 -12.737
  173   1HZ   LYS  23          1HZ       LYS  23   8.988   7.231 -12.656
  174   2HZ   LYS  23          2HZ       LYS  23   8.641   7.253 -14.311
  175   3HZ   LYS  23          3HZ       LYS  23  10.126   6.656 -13.766
  176    H    ALA  24           H        ALA  24   9.318   2.850  -7.966
  177    HA   ALA  24           HA       ALA  24  11.733   1.539  -8.623
  178   1HB   ALA  24          1HB       ALA  24  11.381   0.777  -6.085
  179   2HB   ALA  24          2HB       ALA  24  10.218   2.103  -6.147
  180   3HB   ALA  24          3HB       ALA  24  11.913   2.397  -6.537
  181    H    LEU  25           H        LEU  25   8.470   0.408  -8.245
  182    HA   LEU  25           HA       LEU  25   9.066  -2.314  -7.680
  183   1HB   LEU  25          2HB       LEU  25   6.636  -1.091  -9.004
  184   2HB   LEU  25          1HB       LEU  25   6.742  -2.747  -8.442
  185    HG   LEU  25           HG       LEU  25   6.935  -0.312  -6.665
  186   1HD1  LEU  25          1HD1      LEU  25   4.707  -1.116  -5.851
  187   2HD1  LEU  25          2HD1      LEU  25   4.660  -2.197  -7.244
  188   3HD1  LEU  25          3HD1      LEU  25   4.704  -0.450  -7.484
  189   1HD2  LEU  25          1HD2      LEU  25   7.672  -3.027  -6.253
  190   2HD2  LEU  25          2HD2      LEU  25   6.244  -2.683  -5.279
  191   3HD2  LEU  25          3HD2      LEU  25   7.693  -1.692  -5.102
  192    H    GLY  26           H        GLY  26   8.760  -0.452 -10.642
  193   1HA   GLY  26          2HA       GLY  26   8.719  -2.651 -12.434
  194   2HA   GLY  26          1HA       GLY  26   9.155  -0.998 -12.842
  195    H    ASP  27           H        ASP  27  11.216  -1.236 -10.572
  196    HA   ASP  27           HA       ASP  27  13.311  -2.395 -12.262
  197   1HB   ASP  27          2HB       ASP  27  13.565  -0.048 -11.450
  198   2HB   ASP  27          1HB       ASP  27  13.591  -0.656  -9.799
  199    H    ILE  28           H        ILE  28  11.630  -2.831  -9.269
  200    HA   ILE  28           HA       ILE  28  13.389  -4.326  -7.763
  201    HB   ILE  28           HB       ILE  28  10.397  -4.546  -8.032
  202   1HG1  ILE  28          2HG1      ILE  28  12.224  -3.400  -5.909
  203   2HG1  ILE  28          1HG1      ILE  28  11.240  -2.485  -7.045
  204   1HG2  ILE  28          1HG2      ILE  28  11.932  -5.834  -5.803
  205   2HG2  ILE  28          2HG2      ILE  28  11.576  -6.711  -7.290
  206   3HG2  ILE  28          3HG2      ILE  28  10.259  -6.092  -6.294
  207   1HD1  ILE  28          1HD1      ILE  28   9.357  -4.020  -5.848
  208   2HD1  ILE  28          2HD1      ILE  28   9.795  -2.387  -5.346
  209   3HD1  ILE  28          3HD1      ILE  28  10.504  -3.779  -4.529
  210    HA   PRO  29           HA       PRO  29  14.336  -7.986 -10.056
  211   1HB   PRO  29          2HB       PRO  29  14.576  -9.699  -7.891
  212   2HB   PRO  29          1HB       PRO  29  15.858  -8.639  -8.487
  213   1HG   PRO  29          2HG       PRO  29  13.941  -8.215  -6.228
  214   2HG   PRO  29          1HG       PRO  29  15.672  -7.840  -6.313
  215   1HD   PRO  29          2HD       PRO  29  13.848  -5.913  -6.591
  216   2HD   PRO  29          1HD       PRO  29  15.317  -5.925  -7.593
  217    H    GLU  30           H        GLU  30  12.965  -9.253 -11.115
  218    HA   GLU  30           HA       GLU  30  11.130 -10.487 -11.654
  219   1HB   GLU  30          2HB       GLU  30  11.102 -11.313  -8.751
  220   2HB   GLU  30          1HB       GLU  30  10.478 -12.213 -10.126
  221   1HG   GLU  30          2HG       GLU  30  12.847 -12.263 -10.987
  222   2HG   GLU  30          1HG       GLU  30  13.335 -11.681  -9.399
  223    H    SER  31           H        SER  31  10.368  -8.047 -11.531
  224    HA   SER  31           HA       SER  31   7.696  -8.148 -10.455
  225   1HB   SER  31          2HB       SER  31   9.634  -6.060  -9.424
  226   2HB   SER  31          1HB       SER  31   7.896  -6.072  -9.124
  227    HG   SER  31           HG       SER  31   8.384  -8.301  -8.260
  228    H    HIS  32           H        HIS  32   6.317  -7.001 -11.689
  229    HA   HIS  32           HA       HIS  32   7.290  -4.767 -13.290
  230   1HB   HIS  32          2HB       HIS  32   6.024  -7.220 -14.533
  231   2HB   HIS  32          1HB       HIS  32   6.335  -5.709 -15.376
  232    HD1  HIS  32           1HD      HIS  32   9.109  -5.022 -14.989
  233    HD2  HIS  32           2HD      HIS  32   7.939  -9.005 -15.134
  234    HE1  HIS  32           1HE      HIS  32  11.184  -6.310 -15.588
  235    HE2  HIS  32           2HE      HIS  32  10.426  -8.707 -15.775
  236    H    ILE  33           H        ILE  33   5.890  -3.271 -12.520
  237    HA   ILE  33           HA       ILE  33   3.311  -3.728 -11.603
  238    HB   ILE  33           HB       ILE  33   4.666  -1.252 -12.618
  239   1HG1  ILE  33          2HG1      ILE  33   3.603  -2.125  -9.929
  240   2HG1  ILE  33          1HG1      ILE  33   5.292  -2.128 -10.426
  241   1HG2  ILE  33          1HG2      ILE  33   2.644  -0.422 -13.152
  242   2HG2  ILE  33          2HG2      ILE  33   2.432  -0.280 -11.407
  243   3HG2  ILE  33          3HG2      ILE  33   1.781  -1.678 -12.262
  244   1HD1  ILE  33          1HD1      ILE  33   5.376   0.234 -10.472
  245   2HD1  ILE  33          2HD1      ILE  33   4.582  -0.216  -8.964
  246   3HD1  ILE  33          3HD1      ILE  33   3.623   0.368 -10.321
  247    H    LEU  34           H        LEU  34   1.373  -3.948 -12.488
  248    HA   LEU  34           HA       LEU  34   1.184  -4.105 -15.385
  249   1HB   LEU  34          2HB       LEU  34   0.286  -5.936 -14.028
  250   2HB   LEU  34          1HB       LEU  34  -0.795  -4.819 -13.216
  251    HG   LEU  34           HG       LEU  34  -1.947  -4.406 -15.371
  252   1HD1  LEU  34          1HD1      LEU  34  -0.686  -6.788 -16.589
  253   2HD1  LEU  34          2HD1      LEU  34   0.253  -5.295 -16.591
  254   3HD1  LEU  34          3HD1      LEU  34  -1.340  -5.334 -17.344
  255   1HD2  LEU  34          1HD2      LEU  34  -1.787  -7.304 -14.550
  256   2HD2  LEU  34          2HD2      LEU  34  -3.092  -6.559 -15.473
  257   3HD2  LEU  34          3HD2      LEU  34  -2.802  -6.070 -13.804
  258    H    THR  35           H        THR  35  -0.700  -2.610 -12.738
  259    HA   THR  35           HA       THR  35  -1.311  -0.392 -14.564
  260    HB   THR  35           HB       THR  35  -3.352  -1.432 -14.636
  261    HG1  THR  35           1HG      THR  35  -4.738  -0.333 -13.164
  262   1HG2  THR  35          1HG2      THR  35  -2.935  -2.292 -11.798
  263   2HG2  THR  35          2HG2      THR  35  -3.082  -3.304 -13.235
  264   3HG2  THR  35          3HG2      THR  35  -4.486  -2.425 -12.628
  265    H    VAL  36           H        VAL  36  -2.449   1.402 -13.232
  266    HA   VAL  36           HA       VAL  36  -1.190   1.707 -10.597
  267    HB   VAL  36           HB       VAL  36  -1.013   3.813 -12.759
  268   1HG1  VAL  36          1HG1      VAL  36   0.349   3.834 -10.081
  269   2HG1  VAL  36          2HG1      VAL  36  -1.244   4.546 -10.333
  270   3HG1  VAL  36          3HG1      VAL  36   0.147   5.163 -11.223
  271   1HG2  VAL  36          1HG2      VAL  36   1.528   3.318 -12.255
  272   2HG2  VAL  36          2HG2      VAL  36   0.626   2.367 -13.435
  273   3HG2  VAL  36          3HG2      VAL  36   0.892   1.735 -11.811
  274    H    SER  37           H        SER  37  -2.355   2.905  -9.146
  275    HA   SER  37           HA       SER  37  -5.113   3.392  -9.792
  276   1HB   SER  37          2HB       SER  37  -5.371   3.926  -7.435
  277   2HB   SER  37          1HB       SER  37  -4.359   2.491  -7.586
  278    HG   SER  37           HG       SER  37  -2.906   4.793  -7.611
  279    H    SER  38           H        SER  38  -4.842   5.771  -7.716
  280    HA   SER  38           HA       SER  38  -3.771   7.820  -9.477
  281   1HB   SER  38          2HB       SER  38  -6.660   7.827  -8.568
  282   2HB   SER  38          1HB       SER  38  -5.849   9.166  -9.379
  283    HG   SER  38           HG       SER  38  -7.060   7.816 -10.812
  284    H    PHE  39           H        PHE  39  -4.582  10.075  -8.220
  285    HA   PHE  39           HA       PHE  39  -3.302   9.766  -5.620
  286   1HB   PHE  39          2HB       PHE  39  -3.205  12.294  -5.697
  287   2HB   PHE  39          1HB       PHE  39  -2.276  11.454  -6.931
  288    HD1  PHE  39           1HD      PHE  39  -2.615  11.924  -9.200
  289    HD2  PHE  39           2HD      PHE  39  -5.476  13.220  -6.329
  290    HE1  PHE  39           1HE      PHE  39  -3.755  13.243 -10.936
  291    HE2  PHE  39           2HE      PHE  39  -6.622  14.541  -8.060
  292    HZ   PHE  39           HZ       PHE  39  -5.734  14.542 -10.392
  293    H    TYR  40           H        TYR  40  -4.324   9.925  -3.753
  294    HA   TYR  40           HA       TYR  40  -6.940  11.235  -3.633
  295   1HB   TYR  40          2HB       TYR  40  -6.399   8.470  -2.523
  296   2HB   TYR  40          1HB       TYR  40  -7.893   9.381  -2.337
  297    HD1  TYR  40           1HD      TYR  40  -5.721   7.681  -4.805
  298    HD2  TYR  40           2HD      TYR  40  -9.561   9.342  -4.026
  299    HE1  TYR  40           1HE      TYR  40  -6.568   6.684  -6.887
  300    HE2  TYR  40           2HE      TYR  40 -10.419   8.347  -6.103
  301    HH   TYR  40           HH       TYR  40  -9.425   7.581  -8.326
  302    H    ARG  41           H        ARG  41  -7.465  12.095  -1.620
  303    HA   ARG  41           HA       ARG  41  -5.200  12.559   0.125
  304   1HB   ARG  41          2HB       ARG  41  -7.165  14.189  -0.641
  305   2HB   ARG  41          1HB       ARG  41  -7.961  13.519   0.774
  306   1HG   ARG  41          2HG       ARG  41  -5.980  14.235   2.122
  307   2HG   ARG  41          1HG       ARG  41  -5.374  15.037   0.675
  308   1HD   ARG  41          2HD       ARG  41  -7.376  16.421   0.578
  309   2HD   ARG  41          1HD       ARG  41  -8.016  15.608   2.007
  310    HE   ARG  41           HE       ARG  41  -5.519  16.646   2.673
  311   1HH1  ARG  41          1HH1      ARG  41  -8.667  17.810   1.735
  312   2HH1  ARG  41          2HH1      ARG  41  -8.522  19.293   2.619
  313   1HH2  ARG  41          1HH2      ARG  41  -5.321  18.596   3.838
  314   2HH2  ARG  41          2HH2      ARG  41  -6.621  19.740   3.813
  315    H    THR  42           H        THR  42  -4.852  11.447   2.047
  316    HA   THR  42           HA       THR  42  -7.111  10.089   3.337
  317    HB   THR  42           HB       THR  42  -6.542   8.455   1.689
  318    HG1  THR  42           1HG      THR  42  -6.738   7.019   3.177
  319   1HG2  THR  42          1HG2      THR  42  -3.810   9.239   2.268
  320   2HG2  THR  42          2HG2      THR  42  -4.496   8.469   0.838
  321   3HG2  THR  42          3HG2      THR  42  -4.039   7.492   2.235
  322    HA   PRO  43           HA       PRO  43  -4.705  11.842   6.785
  323   1HB   PRO  43          2HB       PRO  43  -6.615   9.879   8.005
  324   2HB   PRO  43          1HB       PRO  43  -6.140  11.485   8.577
  325   1HG   PRO  43          2HG       PRO  43  -8.440  11.118   7.271
  326   2HG   PRO  43          1HG       PRO  43  -7.467  12.579   7.030
  327   1HD   PRO  43          2HD       PRO  43  -7.924  10.302   5.205
  328   2HD   PRO  43          1HD       PRO  43  -7.425  11.965   4.834
  329    HA   PRO  44           HA       PRO  44  -1.543   8.602   6.800
  330   1HB   PRO  44          2HB       PRO  44  -0.852  10.300   9.175
  331   2HB   PRO  44          1HB       PRO  44   0.215   9.594   7.957
  332   1HG   PRO  44          2HG       PRO  44  -0.424  12.139   7.794
  333   2HG   PRO  44          1HG       PRO  44  -0.404  11.141   6.329
  334   1HD   PRO  44          2HD       PRO  44  -2.717  12.189   7.872
  335   2HD   PRO  44          1HD       PRO  44  -2.551  11.888   6.138
  336    H    LEU  45           H        LEU  45  -2.612   9.788   9.996
  337    HA   LEU  45           HA       LEU  45  -3.594   8.700  11.755
  338   1HB   LEU  45          2HB       LEU  45  -3.649   6.487   9.777
  339   2HB   LEU  45          1HB       LEU  45  -3.696   6.034  11.470
  340    HG   LEU  45           HG       LEU  45  -5.712   7.358  11.803
  341   1HD1  LEU  45          1HD1      LEU  45  -5.631   7.940   8.851
  342   2HD1  LEU  45          2HD1      LEU  45  -5.184   9.095  10.107
  343   3HD1  LEU  45          3HD1      LEU  45  -6.836   8.486  10.016
  344   1HD2  LEU  45          1HD2      LEU  45  -6.611   5.951   9.428
  345   2HD2  LEU  45          2HD2      LEU  45  -6.980   5.656  11.128
  346   3HD2  LEU  45          3HD2      LEU  45  -5.514   4.983  10.413
  347    H    GLY  46           H        GLY  46  -1.345   9.512  12.145
  348   1HA   GLY  46          2HA       GLY  46  -0.010   7.652  13.847
  349   2HA   GLY  46          1HA       GLY  46   0.931   8.005  12.403
  350    HA   PRO  47           HA       PRO  47   1.782  11.566  15.111
  351   1HB   PRO  47          2HB       PRO  47   4.159  10.918  15.988
  352   2HB   PRO  47          1HB       PRO  47   2.748  10.024  16.553
  353   1HG   PRO  47          2HG       PRO  47   4.906   9.167  14.716
  354   2HG   PRO  47          1HG       PRO  47   3.813   8.178  15.700
  355   1HD   PRO  47          2HD       PRO  47   3.559   8.949  12.895
  356   2HD   PRO  47          1HD       PRO  47   2.588   7.784  13.824
  357    H    GLN  48           H        GLN  48   3.149  10.701  12.117
  358    HA   GLN  48           HA       GLN  48   5.465  12.300  12.194
  359   1HB   GLN  48          2HB       GLN  48   5.274  12.236   9.624
  360   2HB   GLN  48          1HB       GLN  48   5.609  10.768  10.515
  361   1HG   GLN  48          2HG       GLN  48   4.053  10.381   8.716
  362   2HG   GLN  48          1HG       GLN  48   3.307  10.063  10.268
  363   1HE2  GLN  48          1HE2      GLN  48   1.298  10.730  10.372
  364   2HE2  GLN  48          2HE2      GLN  48   0.630  12.096   9.552
  365    H    ASP  49           H        ASP  49   2.261  13.157  10.788
  366    HA   ASP  49           HA       ASP  49   2.422  15.813  11.623
  367   1HB   ASP  49          2HB       ASP  49   4.313  15.974  10.060
  368   2HB   ASP  49          1HB       ASP  49   3.267  15.454   8.743
  369    H    GLN  50           H        GLN  50   1.263  13.630   9.140
  370    HA   GLN  50           HA       GLN  50  -0.699  13.467   8.011
  371   1HB   GLN  50          2HB       GLN  50  -2.545  14.535   9.899
  372   2HB   GLN  50          1HB       GLN  50  -2.217  12.850   9.515
  373   1HG   GLN  50          2HG       GLN  50  -0.125  13.701  11.177
  374   2HG   GLN  50          1HG       GLN  50  -1.611  14.323  11.888
  375   1HE2  GLN  50          1HE2      GLN  50   0.327  11.584  11.289
  376   2HE2  GLN  50          2HE2      GLN  50  -0.641  10.442  12.126
  377    HA   PRO  51           HA       PRO  51  -0.914  17.931   6.951
  378   1HB   PRO  51          2HB       PRO  51   0.464  17.789   4.617
  379   2HB   PRO  51          1HB       PRO  51   1.230  18.042   6.184
  380   1HG   PRO  51          2HG       PRO  51   1.258  15.677   4.454
  381   2HG   PRO  51          1HG       PRO  51   2.340  16.107   5.783
  382   1HD   PRO  51          2HD       PRO  51   0.141  14.259   5.801
  383   2HD   PRO  51          1HD       PRO  51   1.256  14.647   7.120
  384    H    ASP  52           H        ASP  52  -0.575  16.245   3.893
  385    HA   ASP  52           HA       ASP  52  -3.395  16.838   3.300
  386   1HB   ASP  52          2HB       ASP  52  -1.259  16.400   1.235
  387   2HB   ASP  52          1HB       ASP  52  -2.863  17.066   1.010
  388    H    TYR  53           H        TYR  53  -1.091  14.377   3.684
  389    HA   TYR  53           HA       TYR  53  -1.040  12.168   3.226
  390   1HB   TYR  53          2HB       TYR  53  -3.621  11.349   3.522
  391   2HB   TYR  53          1HB       TYR  53  -2.483  11.640   4.827
  392    HD1  TYR  53           1HD      TYR  53  -5.571  12.693   3.261
  393    HD2  TYR  53           2HD      TYR  53  -2.574  13.856   6.045
  394    HE1  TYR  53           1HE      TYR  53  -7.086  14.396   4.175
  395    HE2  TYR  53           2HE      TYR  53  -4.084  15.556   6.968
  396    HH   TYR  53           HH       TYR  53  -7.002  16.457   5.425
  397    H    LEU  54           H        LEU  54  -0.642  11.237   1.336
  398    HA   LEU  54           HA       LEU  54  -2.821  11.071  -0.626
  399   1HB   LEU  54          2HB       LEU  54  -1.181  12.879  -1.242
  400   2HB   LEU  54          1HB       LEU  54   0.043  11.634  -1.387
  401    HG   LEU  54           HG       LEU  54  -1.389  10.548  -3.152
  402   1HD1  LEU  54          1HD1      LEU  54  -3.496  11.241  -3.282
  403   2HD1  LEU  54          2HD1      LEU  54  -2.868  12.680  -4.085
  404   3HD1  LEU  54          3HD1      LEU  54  -3.159  12.696  -2.345
  405   1HD2  LEU  54          1HD2      LEU  54   0.064  11.569  -4.480
  406   2HD2  LEU  54          2HD2      LEU  54   0.272  12.865  -3.303
  407   3HD2  LEU  54          3HD2      LEU  54  -0.996  12.979  -4.523
  408    H    ASN  55           H        ASN  55  -3.267   8.967  -0.761
  409    HA   ASN  55           HA       ASN  55  -1.029   7.043  -0.808
  410   1HB   ASN  55          2HB       ASN  55  -2.515   6.717   1.118
  411   2HB   ASN  55          1HB       ASN  55  -3.903   6.606   0.044
  412   1HD2  ASN  55          1HD2      ASN  55  -1.898   4.841   1.867
  413   2HD2  ASN  55          2HD2      ASN  55  -1.963   3.330   1.031
  414    H    ALA  56           H        ALA  56  -1.111   5.336  -2.321
  415    HA   ALA  56           HA       ALA  56  -3.226   5.262  -4.289
  416   1HB   ALA  56          1HB       ALA  56  -1.988   5.897  -6.187
  417   2HB   ALA  56          2HB       ALA  56  -0.466   5.890  -5.295
  418   3HB   ALA  56          3HB       ALA  56  -1.667   7.142  -4.978
  419    H    ALA  57           H        ALA  57  -3.585   3.114  -4.259
  420    HA   ALA  57           HA       ALA  57  -1.554   1.190  -3.762
  421   1HB   ALA  57          1HB       ALA  57  -3.509  -0.279  -4.883
  422   2HB   ALA  57          2HB       ALA  57  -4.422   1.165  -4.438
  423   3HB   ALA  57          3HB       ALA  57  -3.533   0.266  -3.206
  424    H    VAL  58           H        VAL  58  -1.302  -0.728  -5.388
  425    HA   VAL  58           HA       VAL  58  -1.430  -0.116  -8.165
  426    HB   VAL  58           HB       VAL  58   0.425   1.319  -7.710
  427   1HG1  VAL  58          1HG1      VAL  58   1.942   0.926  -6.136
  428   2HG1  VAL  58          2HG1      VAL  58   2.444  -0.563  -6.933
  429   3HG1  VAL  58          3HG1      VAL  58   1.114  -0.589  -5.774
  430   1HG2  VAL  58          1HG2      VAL  58   2.268  -0.181  -8.954
  431   2HG2  VAL  58          2HG2      VAL  58   0.881   0.533  -9.778
  432   3HG2  VAL  58          3HG2      VAL  58   0.830  -1.154  -9.264
  433    H    ALA  59           H        ALA  59  -1.811  -1.995  -9.098
  434    HA   ALA  59           HA       ALA  59  -1.190  -4.466  -7.774
  435   1HB   ALA  59          1HB       ALA  59  -2.927  -3.581  -9.885
  436   2HB   ALA  59          2HB       ALA  59  -3.013  -5.044  -8.903
  437   3HB   ALA  59          3HB       ALA  59  -2.049  -5.029 -10.378
  438    H    LEU  60           H        LEU  60   1.033  -4.652  -7.702
  439    HA   LEU  60           HA       LEU  60   2.679  -4.400 -10.036
  440   1HB   LEU  60          2HB       LEU  60   3.651  -3.903  -7.907
  441   2HB   LEU  60          1HB       LEU  60   3.186  -5.463  -7.261
  442    HG   LEU  60           HG       LEU  60   4.804  -6.561  -8.774
  443   1HD1  LEU  60          1HD1      LEU  60   4.710  -4.722 -10.500
  444   2HD1  LEU  60          2HD1      LEU  60   6.316  -5.345 -10.121
  445   3HD1  LEU  60          3HD1      LEU  60   5.788  -3.800  -9.452
  446   1HD2  LEU  60          1HD2      LEU  60   5.470  -5.968  -6.511
  447   2HD2  LEU  60          2HD2      LEU  60   5.969  -4.368  -7.064
  448   3HD2  LEU  60          3HD2      LEU  60   6.827  -5.803  -7.628
  449    H    GLU  61           H        GLU  61   2.807  -5.868 -11.613
  450    HA   GLU  61           HA       GLU  61   1.914  -8.591 -11.158
  451   1HB   GLU  61          2HB       GLU  61   1.402  -7.302 -13.264
  452   2HB   GLU  61          1HB       GLU  61   3.112  -7.393 -13.664
  453   1HG   GLU  61          2HG       GLU  61   2.980  -9.833 -13.692
  454   2HG   GLU  61          1HG       GLU  61   1.260  -9.741 -13.311
  455    H    THR  62           H        THR  62   3.422  -9.425  -9.765
  456    HA   THR  62           HA       THR  62   6.135  -9.754 -10.857
  457    HB   THR  62           HB       THR  62   6.436  -8.213  -9.134
  458    HG1  THR  62           1HG      THR  62   6.985  -9.807  -7.238
  459   1HG2  THR  62          1HG2      THR  62   4.861  -9.721  -7.116
  460   2HG2  THR  62          2HG2      THR  62   4.030  -8.657  -8.250
  461   3HG2  THR  62          3HG2      THR  62   5.273  -8.008  -7.181
  462    H    SER  63           H        SER  63   7.351 -11.515  -9.848
  463    HA   SER  63           HA       SER  63   5.652 -13.783  -9.053
  464   1HB   SER  63          2HB       SER  63   6.415 -14.043 -11.409
  465   2HB   SER  63          1HB       SER  63   8.085 -13.917 -10.859
  466    HG   SER  63           HG       SER  63   6.305 -15.864  -9.842
  467    H    LEU  64           H        LEU  64   7.969 -11.647  -8.205
  468    HA   LEU  64           HA       LEU  64   9.988 -13.160  -6.989
  469   1HB   LEU  64          2HB       LEU  64   9.932 -10.657  -7.397
  470   2HB   LEU  64          1HB       LEU  64   8.907 -10.525  -5.985
  471    HG   LEU  64           HG       LEU  64  11.341  -9.982  -5.629
  472   1HD1  LEU  64          1HD1      LEU  64   9.563 -11.519  -4.007
  473   2HD1  LEU  64          2HD1      LEU  64  10.770 -10.325  -3.523
  474   3HD1  LEU  64          3HD1      LEU  64  11.226 -12.019  -3.700
  475   1HD2  LEU  64          1HD2      LEU  64  11.588 -12.917  -6.215
  476   2HD2  LEU  64          2HD2      LEU  64  12.773 -12.053  -5.234
  477   3HD2  LEU  64          3HD2      LEU  64  12.493 -11.570  -6.906
  478    H    ALA  65           H        ALA  65  10.262 -13.951  -4.915
  479    HA   ALA  65           HA       ALA  65   8.291 -15.321  -3.678
  480   1HB   ALA  65          1HB       ALA  65  10.867 -15.152  -3.210
  481   2HB   ALA  65          2HB       ALA  65   9.761 -15.732  -1.965
  482   3HB   ALA  65          3HB       ALA  65  10.345 -14.069  -1.919
  483    HA   PRO  66           HA       PRO  66   5.455 -12.331  -2.009
  484   1HB   PRO  66          2HB       PRO  66   4.820 -14.457  -0.063
  485   2HB   PRO  66          1HB       PRO  66   3.769 -13.609  -1.191
  486   1HG   PRO  66          2HG       PRO  66   4.514 -16.160  -1.573
  487   2HG   PRO  66          1HG       PRO  66   4.239 -15.044  -2.924
  488   1HD   PRO  66          2HD       PRO  66   6.795 -16.040  -1.771
  489   2HD   PRO  66          1HD       PRO  66   6.398 -15.617  -3.449
  490    H    GLU  67           H        GLU  67   7.924 -13.926  -0.240
  491    HA   GLU  67           HA       GLU  67   7.445 -12.381   2.169
  492   1HB   GLU  67          2HB       GLU  67   9.622 -13.693   2.838
  493   2HB   GLU  67          1HB       GLU  67   8.053 -14.490   2.817
  494   1HG   GLU  67          2HG       GLU  67   8.515 -15.459   0.674
  495   2HG   GLU  67          1HG       GLU  67  10.020 -14.564   0.546
  496    H    GLU  68           H        GLU  68   9.770 -12.597  -0.458
  497    HA   GLU  68           HA       GLU  68  11.432 -10.553   0.759
  498   1HB   GLU  68          2HB       GLU  68  12.527 -12.388  -0.415
  499   2HB   GLU  68          1HB       GLU  68  11.712 -11.939  -1.906
  500   1HG   GLU  68          2HG       GLU  68  12.888  -9.839  -1.973
  501   2HG   GLU  68          1HG       GLU  68  13.627 -10.163  -0.406
  502    H    LEU  69           H        LEU  69   8.882 -10.726  -1.576
  503    HA   LEU  69           HA       LEU  69   9.463  -8.455  -3.090
  504   1HB   LEU  69          2HB       LEU  69   7.750  -9.914  -3.835
  505   2HB   LEU  69          1HB       LEU  69   6.824  -9.696  -2.362
  506    HG   LEU  69           HG       LEU  69   6.250  -7.440  -2.978
  507   1HD1  LEU  69          1HD1      LEU  69   6.994  -6.742  -5.382
  508   2HD1  LEU  69          2HD1      LEU  69   8.337  -7.843  -5.071
  509   3HD1  LEU  69          3HD1      LEU  69   8.060  -6.464  -4.005
  510   1HD2  LEU  69          1HD2      LEU  69   5.494  -8.116  -5.509
  511   2HD2  LEU  69          2HD2      LEU  69   4.619  -8.527  -4.036
  512   3HD2  LEU  69          3HD2      LEU  69   5.732  -9.692  -4.753
  513    H    LEU  70           H        LEU  70   7.173  -8.618  -0.315
  514    HA   LEU  70           HA       LEU  70   6.780  -5.881  -0.077
  515   1HB   LEU  70          2HB       LEU  70   5.435  -7.339   1.250
  516   2HB   LEU  70          1HB       LEU  70   6.841  -8.054   2.014
  517    HG   LEU  70           HG       LEU  70   6.273  -5.142   2.434
  518   1HD1  LEU  70          1HD1      LEU  70   4.922  -7.435   3.849
  519   2HD1  LEU  70          2HD1      LEU  70   4.150  -6.150   2.922
  520   3HD1  LEU  70          3HD1      LEU  70   4.959  -5.775   4.442
  521   1HD2  LEU  70          1HD2      LEU  70   7.236  -5.791   4.695
  522   2HD2  LEU  70          2HD2      LEU  70   8.342  -5.852   3.322
  523   3HD2  LEU  70          3HD2      LEU  70   7.645  -7.342   3.959
  524    H    ASN  71           H        ASN  71   9.218  -7.949   1.421
  525    HA   ASN  71           HA       ASN  71  10.635  -6.017   2.831
  526   1HB   ASN  71          2HB       ASN  71  11.078  -8.415   3.070
  527   2HB   ASN  71          1HB       ASN  71  11.731  -8.471   1.436
  528   1HD2  ASN  71          1HD2      ASN  71  12.484  -8.198   4.644
  529   2HD2  ASN  71          2HD2      ASN  71  14.077  -7.548   4.503
  530    H    HIS  72           H        HIS  72  10.630  -6.754  -0.597
  531    HA   HIS  72           HA       HIS  72  12.951  -5.186  -1.205
  532   1HB   HIS  72          2HB       HIS  72  10.959  -6.731  -2.727
  533   2HB   HIS  72          1HB       HIS  72  11.574  -5.316  -3.571
  534    HD1  HIS  72           1HD      HIS  72  14.480  -5.303  -2.960
  535    HD2  HIS  72           2HD      HIS  72  12.389  -8.830  -3.625
  536    HE1  HIS  72           1HE      HIS  72  16.212  -6.989  -3.655
  537    HE2  HIS  72           2HE      HIS  72  14.906  -9.083  -4.162
  538    H    THR  73           H        THR  73   9.457  -4.699  -1.276
  539    HA   THR  73           HA       THR  73   9.522  -2.093  -2.373
  540    HB   THR  73           HB       THR  73   7.232  -1.896  -1.616
  541    HG1  THR  73           1HG      THR  73   6.338  -3.420  -0.219
  542   1HG2  THR  73          1HG2      THR  73   8.143  -4.243  -3.015
  543   2HG2  THR  73          2HG2      THR  73   6.733  -3.226  -3.308
  544   3HG2  THR  73          3HG2      THR  73   6.641  -4.543  -2.139
  545    H    GLN  74           H        GLN  74  10.312  -3.382   0.684
  546    HA   GLN  74           HA       GLN  74   9.888  -1.057   2.277
  547   1HB   GLN  74          2HB       GLN  74  11.786  -3.379   2.714
  548   2HB   GLN  74          1HB       GLN  74  11.342  -2.179   3.921
  549   1HG   GLN  74          2HG       GLN  74   9.466  -4.140   2.623
  550   2HG   GLN  74          1HG       GLN  74  10.167  -4.297   4.229
  551   1HE2  GLN  74          1HE2      GLN  74   9.703  -1.124   4.041
  552   2HE2  GLN  74          2HE2      GLN  74   8.095  -0.993   4.652
  553    H    ARG  75           H        ARG  75  12.462  -2.288   0.267
  554    HA   ARG  75           HA       ARG  75  14.471  -0.462   1.130
  555   1HB   ARG  75          2HB       ARG  75  14.998  -2.599   0.024
  556   2HB   ARG  75          1HB       ARG  75  14.256  -2.018  -1.456
  557   1HG   ARG  75          2HG       ARG  75  16.665  -1.858  -1.595
  558   2HG   ARG  75          1HG       ARG  75  15.944  -0.247  -1.597
  559   1HD   ARG  75          2HD       ARG  75  16.467  -0.001   0.773
  560   2HD   ARG  75          1HD       ARG  75  17.148  -1.625   0.804
  561    HE   ARG  75           HE       ARG  75  18.478   0.727   0.015
  562   1HH1  ARG  75          1HH1      ARG  75  18.133  -2.621  -0.896
  563   2HH1  ARG  75          2HH1      ARG  75  19.691  -2.709  -1.645
  564   1HH2  ARG  75          1HH2      ARG  75  20.532   0.615  -0.965
  565   2HH2  ARG  75          2HH2      ARG  75  21.054  -0.871  -1.685
  566    H    ILE  76           H        ILE  76  11.734  -0.186  -0.875
  567    HA   ILE  76           HA       ILE  76  12.680   1.861  -2.618
  568    HB   ILE  76           HB       ILE  76   9.838   1.241  -1.780
  569   1HG1  ILE  76          2HG1      ILE  76  11.414   0.343  -4.205
  570   2HG1  ILE  76          1HG1      ILE  76  10.988  -0.674  -2.833
  571   1HG2  ILE  76          1HG2      ILE  76   9.294   3.084  -2.898
  572   2HG2  ILE  76          2HG2      ILE  76   9.904   2.316  -4.362
  573   3HG2  ILE  76          3HG2      ILE  76  10.967   3.336  -3.395
  574   1HD1  ILE  76          1HD1      ILE  76   8.983   0.661  -4.630
  575   2HD1  ILE  76          2HD1      ILE  76   8.666  -0.534  -3.374
  576   3HD1  ILE  76          3HD1      ILE  76   9.555  -0.995  -4.826
  577    H    GLU  77           H        GLU  77  11.518   1.676   0.599
  578    HA   GLU  77           HA       GLU  77  10.791   4.386   0.995
  579   1HB   GLU  77          2HB       GLU  77  11.711   2.252   2.929
  580   2HB   GLU  77          1HB       GLU  77  11.071   3.810   3.410
  581   1HG   GLU  77          2HG       GLU  77   8.945   3.277   2.346
  582   2HG   GLU  77          1HG       GLU  77   9.588   1.711   1.854
  583    H    LEU  78           H        LEU  78  13.746   2.523   1.583
  584    HA   LEU  78           HA       LEU  78  15.254   4.726   2.570
  585   1HB   LEU  78          2HB       LEU  78  16.183   2.098   1.406
  586   2HB   LEU  78          1HB       LEU  78  17.204   3.239   2.258
  587    HG   LEU  78           HG       LEU  78  14.871   1.736   3.457
  588   1HD1  LEU  78          1HD1      LEU  78  16.286   0.090   3.896
  589   2HD1  LEU  78          2HD1      LEU  78  17.398   1.214   4.679
  590   3HD1  LEU  78          3HD1      LEU  78  17.518   0.918   2.943
  591   1HD2  LEU  78          1HD2      LEU  78  15.987   4.152   4.267
  592   2HD2  LEU  78          2HD2      LEU  78  16.746   2.941   5.299
  593   3HD2  LEU  78          3HD2      LEU  78  14.989   3.069   5.237
  594    H    GLN  79           H        GLN  79  14.993   3.120  -0.584
  595    HA   GLN  79           HA       GLN  79  16.966   4.642  -1.901
  596   1HB   GLN  79          2HB       GLN  79  14.528   3.244  -3.010
  597   2HB   GLN  79          1HB       GLN  79  15.825   3.911  -3.993
  598   1HG   GLN  79          2HG       GLN  79  17.412   2.392  -2.913
  599   2HG   GLN  79          1HG       GLN  79  16.098   1.711  -1.959
  600   1HE2  GLN  79          1HE2      GLN  79  14.764   2.441  -4.856
  601   2HE2  GLN  79          2HE2      GLN  79  14.976   0.934  -5.669
  602    H    GLN  80           H        GLN  80  13.975   5.640  -0.700
  603    HA   GLN  80           HA       GLN  80  13.659   7.746  -2.703
  604   1HB   GLN  80          2HB       GLN  80  11.669   6.447  -2.048
  605   2HB   GLN  80          1HB       GLN  80  11.891   6.950  -0.381
  606   1HG   GLN  80          2HG       GLN  80  10.134   8.219  -1.473
  607   2HG   GLN  80          1HG       GLN  80  11.474   9.257  -0.995
  608   1HE2  GLN  80          1HE2      GLN  80   9.357   8.582  -3.391
  609   2HE2  GLN  80          2HE2      GLN  80  10.201   9.260  -4.738
  610    H    GLY  81           H        GLY  81  15.497   7.320  -0.098
  611   1HA   GLY  81          2HA       GLY  81  16.646   8.774   1.261
  612   2HA   GLY  81          1HA       GLY  81  15.943  10.091   0.328
  613    H    ARG  82           H        ARG  82  14.074   7.640   1.982
  614    HA   ARG  82           HA       ARG  82  12.336   9.420   3.212
  615   1HB   ARG  82          2HB       ARG  82  11.481   7.584   4.444
  616   2HB   ARG  82          1HB       ARG  82  12.015   6.925   2.905
  617   1HG   ARG  82          2HG       ARG  82  14.015   6.051   3.919
  618   2HG   ARG  82          1HG       ARG  82  13.618   6.826   5.451
  619   1HD   ARG  82          2HD       ARG  82  11.564   5.451   5.565
  620   2HD   ARG  82          1HD       ARG  82  12.065   4.633   4.087
  621    HE   ARG  82           HE       ARG  82  14.139   4.449   5.964
  622   1HH1  ARG  82          1HH1      ARG  82  10.908   3.257   5.429
  623   2HH1  ARG  82          2HH1      ARG  82  11.162   1.796   6.324
  624   1HH2  ARG  82          1HH2      ARG  82  14.482   2.527   7.139
  625   2HH2  ARG  82          2HH2      ARG  82  13.194   1.381   7.295
  626    H    VAL  83           H        VAL  83  12.002   9.694   5.537
  627    HA   VAL  83           HA       VAL  83  14.496   9.832   7.081
  628    HB   VAL  83           HB       VAL  83  12.416  12.020   7.063
  629   1HG1  VAL  83          1HG1      VAL  83  15.233  12.282   8.027
  630   2HG1  VAL  83          2HG1      VAL  83  14.006  11.555   9.064
  631   3HG1  VAL  83          3HG1      VAL  83  13.802  13.208   8.483
  632   1HG2  VAL  83          1HG2      VAL  83  15.013  12.698   5.937
  633   2HG2  VAL  83          2HG2      VAL  83  13.393  13.023   5.322
  634   3HG2  VAL  83          3HG2      VAL  83  14.162  11.467   5.000
  635    H    ARG  84           H        ARG  84  14.209   9.404   9.306
  636    HA   ARG  84           HA       ARG  84  11.458   8.919  10.179
  637   1HB   ARG  84          2HB       ARG  84  13.691   6.895  10.304
  638   2HB   ARG  84          1HB       ARG  84  12.164   6.731  11.160
  639   1HG   ARG  84          2HG       ARG  84  12.462   6.933   8.169
  640   2HG   ARG  84          1HG       ARG  84  12.235   5.435   9.076
  641   1HD   ARG  84          2HD       ARG  84  10.091   6.303   9.922
  642   2HD   ARG  84          1HD       ARG  84  10.318   7.758   8.955
  643    HE   ARG  84           HE       ARG  84   9.462   6.603   7.202
  644   1HH1  ARG  84          1HH1      ARG  84  10.915   4.304   9.386
  645   2HH1  ARG  84          2HH1      ARG  84  10.463   2.928   8.436
  646   1HH2  ARG  84          1HH2      ARG  84   8.860   4.796   5.955
  647   2HH2  ARG  84          2HH2      ARG  84   9.298   3.207   6.488
  648    H    LYS  85           H        LYS  85  11.761  10.798  11.536
  649    HA   LYS  85           HA       LYS  85  13.775  10.881  13.547
  650   1HB   LYS  85          2HB       LYS  85  11.041  12.183  13.483
  651   2HB   LYS  85          1HB       LYS  85  12.306  12.560  14.644
  652   1HG   LYS  85          2HG       LYS  85  12.518  12.952  11.665
  653   2HG   LYS  85          1HG       LYS  85  12.137  14.215  12.836
  654   1HD   LYS  85          2HD       LYS  85  14.682  12.590  12.771
  655   2HD   LYS  85          1HD       LYS  85  14.507  14.247  12.187
  656   1HE   LYS  85          2HE       LYS  85  14.117  13.301  15.026
  657   2HE   LYS  85          1HE       LYS  85  15.494  14.214  14.412
  658   1HZ   LYS  85          1HZ       LYS  85  14.315  15.962  15.132
  659   2HZ   LYS  85          2HZ       LYS  85  12.845  15.126  15.129
  660   3HZ   LYS  85          3HZ       LYS  85  13.448  15.780  13.690
  661    H    ALA  86           H        ALA  86  10.310  10.357  13.822
  662    HA   ALA  86           HA       ALA  86  10.731   8.015  15.496
  663   1HB   ALA  86          1HB       ALA  86   9.424  10.541  16.417
  664   2HB   ALA  86          2HB       ALA  86  10.489   9.443  17.296
  665   3HB   ALA  86          3HB       ALA  86   8.811   8.992  16.996
  666    H    GLU  87           H        GLU  87   9.685   6.553  14.282
  667    HA   GLU  87           HA       GLU  87   6.969   7.218  13.366
  668   1HB   GLU  87          2HB       GLU  87   8.539   7.246  11.476
  669   2HB   GLU  87          1HB       GLU  87   9.030   5.602  11.855
  670   1HG   GLU  87          2HG       GLU  87   6.218   6.372  11.124
  671   2HG   GLU  87          1HG       GLU  87   7.425   5.846   9.953
  672    H    ARG  88           H        ARG  88   5.647   6.057  14.664
  673    HA   ARG  88           HA       ARG  88   6.442   3.294  15.283
  674   1HB   ARG  88          2HB       ARG  88   4.322   5.011  16.590
  675   2HB   ARG  88          1HB       ARG  88   4.789   3.392  17.092
  676   1HG   ARG  88          2HG       ARG  88   7.036   4.205  17.616
  677   2HG   ARG  88          1HG       ARG  88   6.557   5.830  17.122
  678   1HD   ARG  88          2HD       ARG  88   4.837   5.839  18.878
  679   2HD   ARG  88          1HD       ARG  88   5.354   4.231  19.380
  680    HE   ARG  88           HE       ARG  88   6.978   5.248  20.599
  681   1HH1  ARG  88          1HH1      ARG  88   6.180   7.348  17.927
  682   2HH1  ARG  88          2HH1      ARG  88   7.291   8.587  18.407
  683   1HH2  ARG  88          1HH2      ARG  88   8.438   6.877  21.232
  684   2HH2  ARG  88          2HH2      ARG  88   8.571   8.321  20.283
  685    H    TRP  89           H        TRP  89   3.441   5.105  14.593
  686    HA   TRP  89           HA       TRP  89   2.544   2.804  12.985
  687   1HB   TRP  89          2HB       TRP  89   1.350   3.068  15.200
  688   2HB   TRP  89          1HB       TRP  89   0.723   4.598  14.599
  689    HD1  TRP  89           HD       TRP  89   0.927   1.244  12.667
  690    HE1  TRP  89           1HE      TRP  89  -1.452   0.608  11.924
  691    HE3  TRP  89           3HE      TRP  89  -1.675   5.028  14.924
  692    HZ2  TRP  89           2HZ      TRP  89  -4.079   1.572  12.252
  693    HZ3  TRP  89           3HZ      TRP  89  -4.121   5.093  14.659
  694    HH2  TRP  89           HH       TRP  89  -5.296   3.401  13.350
  695    H    GLY  90           H        GLY  90   3.612   5.847  12.757
  696   1HA   GLY  90          2HA       GLY  90   1.586   6.827  10.904
  697   2HA   GLY  90          1HA       GLY  90   2.962   7.728  11.506
  698    HA   PRO  91           HA       PRO  91   3.522   5.834   7.067
  699   1HB   PRO  91          2HB       PRO  91   2.758   8.581   6.221
  700   2HB   PRO  91          1HB       PRO  91   2.299   7.020   5.520
  701   1HG   PRO  91          2HG       PRO  91   0.538   8.426   6.895
  702   2HG   PRO  91          1HG       PRO  91   0.633   6.665   7.117
  703   1HD   PRO  91          2HD       PRO  91   1.782   8.851   8.831
  704   2HD   PRO  91          1HD       PRO  91   0.858   7.414   9.323
  705    H    ARG  92           H        ARG  92   4.133   9.027   8.407
  706    HA   ARG  92           HA       ARG  92   6.010  10.275   8.626
  707   1HB   ARG  92          2HB       ARG  92   7.052   7.868   8.879
  708   2HB   ARG  92          1HB       ARG  92   7.727   8.225   7.297
  709   1HG   ARG  92          2HG       ARG  92   8.163   9.776   9.844
  710   2HG   ARG  92          1HG       ARG  92   9.335   8.793   8.973
  711   1HD   ARG  92          2HD       ARG  92   9.394  10.315   7.157
  712   2HD   ARG  92          1HD       ARG  92   7.998  11.199   7.766
  713    HE   ARG  92           HE       ARG  92  10.690  11.664   8.438
  714   1HH1  ARG  92          1HH1      ARG  92   7.534  11.497   9.909
  715   2HH1  ARG  92          2HH1      ARG  92   7.935  12.584  11.197
  716   1HH2  ARG  92          1HH2      ARG  92  11.226  13.096  10.128
  717   2HH2  ARG  92          2HH2      ARG  92  10.033  13.491  11.322
  718    H    THR  93           H        THR  93   7.602   8.838   5.978
  719    HA   THR  93           HA       THR  93   6.788  11.077   4.233
  720    HB   THR  93           HB       THR  93   9.065  10.830   3.178
  721    HG1  THR  93           1HG      THR  93  10.584   9.843   4.804
  722   1HG2  THR  93          1HG2      THR  93   8.378  12.185   5.531
  723   2HG2  THR  93          2HG2      THR  93   9.701  12.535   4.417
  724   3HG2  THR  93          3HG2      THR  93   9.971  11.478   5.803
  725    H    LEU  94           H        LEU  94   7.373   7.665   4.492
  726    HA   LEU  94           HA       LEU  94   5.838   7.072   2.174
  727   1HB   LEU  94          2HB       LEU  94   7.818   7.762   0.979
  728   2HB   LEU  94          1HB       LEU  94   8.836   6.756   1.990
  729    HG   LEU  94           HG       LEU  94   7.779   4.742   1.039
  730   1HD1  LEU  94          1HD1      LEU  94   6.493   6.449  -1.046
  731   2HD1  LEU  94          2HD1      LEU  94   5.645   6.098   0.459
  732   3HD1  LEU  94          3HD1      LEU  94   6.149   4.779  -0.595
  733   1HD2  LEU  94          1HD2      LEU  94   9.613   6.463  -0.168
  734   2HD2  LEU  94          2HD2      LEU  94   8.521   5.966  -1.460
  735   3HD2  LEU  94          3HD2      LEU  94   9.373   4.750  -0.507
  736    H    ASP  95           H        ASP  95   4.831   5.279   2.728
  737    HA   ASP  95           HA       ASP  95   6.342   3.109   3.982
  738   1HB   ASP  95          2HB       ASP  95   5.215   4.362   5.798
  739   2HB   ASP  95          1HB       ASP  95   3.668   4.099   5.000
  740    H    LEU  96           H        LEU  96   6.247   2.034   1.996
  741    HA   LEU  96           HA       LEU  96   3.562   1.256   1.102
  742   1HB   LEU  96          2HB       LEU  96   4.571   0.652  -1.034
  743   2HB   LEU  96          1HB       LEU  96   4.900   2.322  -0.629
  744    HG   LEU  96           HG       LEU  96   6.907   0.116  -0.191
  745   1HD1  LEU  96          1HD1      LEU  96   6.248   1.713  -2.620
  746   2HD1  LEU  96          2HD1      LEU  96   6.731   0.021  -2.477
  747   3HD1  LEU  96          3HD1      LEU  96   7.931   1.301  -2.288
  748   1HD2  LEU  96          1HD2      LEU  96   6.874   3.069   0.092
  749   2HD2  LEU  96          2HD2      LEU  96   8.345   2.326  -0.538
  750   3HD2  LEU  96          3HD2      LEU  96   7.722   1.848   1.041
  751    H    ASP  97           H        ASP  97   2.997  -0.490   2.217
  752    HA   ASP  97           HA       ASP  97   4.861  -2.773   2.229
  753   1HB   ASP  97          2HB       ASP  97   2.851  -1.979   4.347
  754   2HB   ASP  97          1HB       ASP  97   3.759  -3.484   4.346
  755    H    ILE  98           H        ILE  98   3.930  -4.862   2.044
  756    HA   ILE  98           HA       ILE  98   1.849  -5.041   0.172
  757    HB   ILE  98           HB       ILE  98   3.259  -7.072   1.868
  758   1HG1  ILE  98          2HG1      ILE  98   4.467  -6.376  -0.059
  759   2HG1  ILE  98          1HG1      ILE  98   3.794  -7.961  -0.425
  760   1HG2  ILE  98          1HG2      ILE  98   0.768  -7.510   0.244
  761   2HG2  ILE  98          2HG2      ILE  98   1.125  -8.040   1.889
  762   3HG2  ILE  98          3HG2      ILE  98   1.934  -8.804   0.522
  763   1HD1  ILE  98          1HD1      ILE  98   2.877  -5.295  -1.436
  764   2HD1  ILE  98          2HD1      ILE  98   1.918  -6.767  -1.598
  765   3HD1  ILE  98          3HD1      ILE  98   3.507  -6.662  -2.357
  766    H    MET  99           H        MET  99  -0.229  -4.826   0.412
  767    HA   MET  99           HA       MET  99  -1.418  -5.245   3.072
  768   1HB   MET  99          2HB       MET  99  -2.470  -3.572   0.783
  769   2HB   MET  99          1HB       MET  99  -3.190  -3.711   2.380
  770   1HG   MET  99          2HG       MET  99  -0.501  -2.520   1.743
  771   2HG   MET  99          1HG       MET  99  -1.967  -1.631   2.149
  772   1HE   MET  99          1HE       MET  99  -2.531  -2.441   5.871
  773   2HE   MET  99          2HE       MET  99  -3.141  -3.534   4.626
  774   3HE   MET  99          3HE       MET  99  -3.190  -1.790   4.370
  775    H    LEU 100           H        LEU 100  -1.375  -6.270  -0.203
  776    HA   LEU 100           HA       LEU 100  -3.219  -8.399   0.413
  777   1HB   LEU 100          2HB       LEU 100  -4.071  -6.070  -1.096
  778   2HB   LEU 100          1HB       LEU 100  -4.223  -7.529  -2.056
  779    HG   LEU 100           HG       LEU 100  -5.514  -6.959   0.617
  780   1HD1  LEU 100          1HD1      LEU 100  -6.450  -7.067  -2.207
  781   2HD1  LEU 100          2HD1      LEU 100  -6.874  -5.942  -0.915
  782   3HD1  LEU 100          3HD1      LEU 100  -7.546  -7.574  -0.921
  783   1HD2  LEU 100          1HD2      LEU 100  -6.450  -9.358  -0.630
  784   2HD2  LEU 100          2HD2      LEU 100  -5.768  -9.131   0.981
  785   3HD2  LEU 100          3HD2      LEU 100  -4.706  -9.456  -0.388
  786    H    PHE 101           H        PHE 101  -2.605 -10.212  -0.583
  787    HA   PHE 101           HA       PHE 101  -0.784  -9.950  -2.876
  788   1HB   PHE 101          2HB       PHE 101  -0.374 -11.200  -0.299
  789   2HB   PHE 101          1HB       PHE 101  -0.146 -12.350  -1.606
  790    HD1  PHE 101           1HD      PHE 101   2.071 -11.657   0.180
  791    HD2  PHE 101           2HD      PHE 101   0.709  -9.762  -3.379
  792    HE1  PHE 101           1HE      PHE 101   4.324 -10.760  -0.204
  793    HE2  PHE 101           2HE      PHE 101   2.962  -8.865  -3.765
  794    HZ   PHE 101           HZ       PHE 101   4.807  -9.429  -2.122
  795    H    GLY 102           H        GLY 102  -0.473 -12.297  -3.850
  796   1HA   GLY 102          2HA       GLY 102  -2.988 -12.958  -5.007
  797   2HA   GLY 102          1HA       GLY 102  -1.464 -13.773  -5.305
  798    H    ASN 103           H        ASN 103  -4.190 -13.566  -3.083
  799    HA   ASN 103           HA       ASN 103  -5.077 -15.028  -1.556
  800   1HB   ASN 103          2HB       ASN 103  -5.687 -17.170  -2.505
  801   2HB   ASN 103          1HB       ASN 103  -5.822 -15.928  -3.750
  802   1HD2  ASN 103          1HD2      ASN 103  -4.065 -18.696  -2.637
  803   2HD2  ASN 103          2HD2      ASN 103  -3.128 -18.945  -4.064
  804    H    GLU 104           H        GLU 104  -2.022 -14.807  -1.514
  805    HA   GLU 104           HA       GLU 104  -1.334 -17.448  -0.493
  806   1HB   GLU 104          2HB       GLU 104   0.948 -16.457  -0.259
  807   2HB   GLU 104          1HB       GLU 104   0.319 -16.544  -1.885
  808   1HG   GLU 104          2HG       GLU 104  -0.479 -14.049  -1.023
  809   2HG   GLU 104          1HG       GLU 104   1.124 -14.242  -0.329
  810    H    VAL 105           H        VAL 105  -0.005 -17.523   1.506
  811    HA   VAL 105           HA       VAL 105  -0.667 -15.551   3.533
  812    HB   VAL 105           HB       VAL 105  -1.663 -18.386   3.554
  813   1HG1  VAL 105          1HG1      VAL 105  -0.807 -18.300   5.712
  814   2HG1  VAL 105          2HG1      VAL 105  -2.445 -17.695   5.952
  815   3HG1  VAL 105          3HG1      VAL 105  -1.092 -16.566   5.865
  816   1HG2  VAL 105          1HG2      VAL 105  -3.648 -16.779   4.527
  817   2HG2  VAL 105          2HG2      VAL 105  -3.492 -17.303   2.849
  818   3HG2  VAL 105          3HG2      VAL 105  -2.866 -15.730   3.347
  819    H    ILE 106           H        ILE 106   1.473 -15.169   3.952
  820    HA   ILE 106           HA       ILE 106   2.931 -17.321   5.285
  821    HB   ILE 106           HB       ILE 106   4.139 -15.673   3.060
  822   1HG1  ILE 106          2HG1      ILE 106   3.624 -18.652   3.227
  823   2HG1  ILE 106          1HG1      ILE 106   2.684 -17.512   2.269
  824   1HG2  ILE 106          1HG2      ILE 106   5.604 -17.941   4.264
  825   2HG2  ILE 106          2HG2      ILE 106   5.467 -16.478   5.239
  826   3HG2  ILE 106          3HG2      ILE 106   6.202 -16.404   3.638
  827   1HD1  ILE 106          1HD1      ILE 106   5.271 -18.753   1.722
  828   2HD1  ILE 106          2HD1      ILE 106   5.203 -17.026   1.376
  829   3HD1  ILE 106          3HD1      ILE 106   4.051 -18.123   0.615
  830    H    ASN 107           H        ASN 107   4.058 -16.638   7.017
  831    HA   ASN 107           HA       ASN 107   4.325 -13.725   7.414
  832   1HB   ASN 107          2HB       ASN 107   3.899 -15.891   9.489
  833   2HB   ASN 107          1HB       ASN 107   4.197 -14.196   9.854
  834   1HD2  ASN 107          1HD2      ASN 107   2.402 -14.116   7.127
  835   2HD2  ASN 107          2HD2      ASN 107   0.824 -14.027   7.814
  836    H    THR 108           H        THR 108   6.395 -13.229   7.005
  837    HA   THR 108           HA       THR 108   8.459 -15.030   8.096
  838    HB   THR 108           HB       THR 108   9.964 -14.171   6.346
  839    HG1  THR 108           1HG      THR 108   9.428 -12.435   5.339
  840   1HG2  THR 108          1HG2      THR 108   7.495 -15.007   4.901
  841   2HG2  THR 108          2HG2      THR 108   8.330 -16.136   5.969
  842   3HG2  THR 108          3HG2      THR 108   9.178 -15.433   4.590
  843    H    GLU 109           H        GLU 109  10.249 -12.583   7.127
  844    HA   GLU 109           HA       GLU 109  10.724 -11.604   9.728
  845   1HB   GLU 109          2HB       GLU 109  11.648 -10.598   7.033
  846   2HB   GLU 109          1HB       GLU 109  12.228  -9.967   8.567
  847   1HG   GLU 109          2HG       GLU 109  13.863 -11.478   7.858
  848   2HG   GLU 109          1HG       GLU 109  12.954 -12.327   9.105
  849    H    ARG 110           H        ARG 110  10.378  -9.258   7.166
  850    HA   ARG 110           HA       ARG 110   8.545  -7.739   8.866
  851   1HB   ARG 110          2HB       ARG 110  10.146  -6.911   6.439
  852   2HB   ARG 110          1HB       ARG 110   9.096  -5.842   7.357
  853   1HG   ARG 110          2HG       ARG 110  11.530  -7.248   8.440
  854   2HG   ARG 110          1HG       ARG 110  11.456  -5.557   7.943
  855   1HD   ARG 110          2HD       ARG 110   9.730  -5.152   9.649
  856   2HD   ARG 110          1HD       ARG 110   9.854  -6.834  10.158
  857    HE   ARG 110           HE       ARG 110  11.633  -6.217  11.426
  858   1HH1  ARG 110          1HH1      ARG 110  11.396  -3.985   8.758
  859   2HH1  ARG 110          2HH1      ARG 110  12.740  -3.023   9.275
  860   1HH2  ARG 110          1HH2      ARG 110  13.401  -4.950  12.115
  861   2HH2  ARG 110          2HH2      ARG 110  13.879  -3.573  11.181
  862    H    LEU 111           H        LEU 111   8.422  -9.861   6.336
  863    HA   LEU 111           HA       LEU 111   6.445  -8.621   4.705
  864   1HB   LEU 111          2HB       LEU 111   7.871 -10.348   3.785
  865   2HB   LEU 111          1HB       LEU 111   7.297 -11.503   4.968
  866    HG   LEU 111           HG       LEU 111   6.400 -11.698   2.591
  867   1HD1  LEU 111          1HD1      LEU 111   4.393 -11.482   4.821
  868   2HD1  LEU 111          2HD1      LEU 111   5.432 -12.874   4.508
  869   3HD1  LEU 111          3HD1      LEU 111   4.211 -12.401   3.327
  870   1HD2  LEU 111          1HD2      LEU 111   5.657  -9.025   3.100
  871   2HD2  LEU 111          2HD2      LEU 111   4.173  -9.971   2.988
  872   3HD2  LEU 111          3HD2      LEU 111   5.337  -9.995   1.663
  873    H    THR 112           H        THR 112   4.311  -8.635   4.825
  874    HA   THR 112           HA       THR 112   2.975 -10.400   6.737
  875    HB   THR 112           HB       THR 112   1.446  -8.286   7.120
  876    HG1  THR 112           1HG      THR 112   3.580  -6.692   7.241
  877   1HG2  THR 112          1HG2      THR 112   3.231  -9.530   8.708
  878   2HG2  THR 112          2HG2      THR 112   2.248  -8.147   9.197
  879   3HG2  THR 112          3HG2      THR 112   3.910  -7.903   8.652
  880    H    VAL 113           H        VAL 113   1.029 -11.152   6.061
  881    HA   VAL 113           HA       VAL 113   0.286 -10.586   3.311
  882    HB   VAL 113           HB       VAL 113   0.251 -12.876   4.839
  883   1HG1  VAL 113          1HG1      VAL 113  -2.011 -13.570   5.226
  884   2HG1  VAL 113          2HG1      VAL 113  -2.631 -12.048   4.582
  885   3HG1  VAL 113          3HG1      VAL 113  -1.713 -12.062   6.089
  886   1HG2  VAL 113          1HG2      VAL 113  -1.444 -13.607   2.888
  887   2HG2  VAL 113          2HG2      VAL 113   0.290 -13.380   2.656
  888   3HG2  VAL 113          3HG2      VAL 113  -0.833 -12.091   2.222
  889    HA   PRO 114           HA       PRO 114  -3.404  -7.971   3.561
  890   1HB   PRO 114          2HB       PRO 114  -4.925 -10.343   4.588
  891   2HB   PRO 114          1HB       PRO 114  -5.436  -9.092   3.448
  892   1HG   PRO 114          2HG       PRO 114  -4.394 -11.585   2.747
  893   2HG   PRO 114          1HG       PRO 114  -4.506 -10.179   1.678
  894   1HD   PRO 114          2HD       PRO 114  -2.139 -11.413   2.588
  895   2HD   PRO 114          1HD       PRO 114  -2.255  -9.848   1.762
  896    H    HIS 115           H        HIS 115  -2.523  -6.767   5.228
  897    HA   HIS 115           HA       HIS 115  -2.483  -7.559   7.938
  898   1HB   HIS 115          2HB       HIS 115  -0.982  -5.851   6.925
  899   2HB   HIS 115          1HB       HIS 115  -2.364  -4.778   6.747
  900    HD1  HIS 115           1HD      HIS 115  -3.669  -4.736   9.393
  901    HD2  HIS 115           2HD      HIS 115   0.461  -4.942   8.996
  902    HE1  HIS 115           1HE      HIS 115  -2.743  -3.864  11.562
  903    HE2  HIS 115           2HE      HIS 115  -0.240  -3.926  11.268
  904    H    TYR 116           H        TYR 116  -4.211  -7.808   9.186
  905    HA   TYR 116           HA       TYR 116  -6.802  -7.039   8.627
  906   1HB   TYR 116          2HB       TYR 116  -6.954  -7.035  11.291
  907   2HB   TYR 116          1HB       TYR 116  -6.788  -8.522  10.370
  908    HD1  TYR 116           1HD      TYR 116  -4.130  -6.046  11.098
  909    HD2  TYR 116           2HD      TYR 116  -5.674  -9.918  11.964
  910    HE1  TYR 116           1HE      TYR 116  -2.093  -6.571  12.365
  911    HE2  TYR 116           2HE      TYR 116  -3.638 -10.451  13.228
  912    HH   TYR 116           HH       TYR 116  -1.247  -8.034  13.968
  913    H    ASP 117           H        ASP 117  -6.901  -4.961   7.823
  914    HA   ASP 117           HA       ASP 117  -7.340  -2.856   9.662
  915   1HB   ASP 117          2HB       ASP 117  -4.754  -3.142   9.571
  916   2HB   ASP 117          1HB       ASP 117  -4.892  -2.444   7.966
  917    H    MET 118           H        MET 118  -6.063  -3.445   6.422
  918    HA   MET 118           HA       MET 118  -7.124  -1.314   5.032
  919   1HB   MET 118          2HB       MET 118  -6.808  -2.666   3.045
  920   2HB   MET 118          1HB       MET 118  -5.474  -2.929   4.159
  921   1HG   MET 118          2HG       MET 118  -6.452  -5.026   4.877
  922   2HG   MET 118          1HG       MET 118  -7.846  -4.753   3.831
  923   1HE   MET 118          1HE       MET 118  -5.778  -4.364   0.447
  924   2HE   MET 118          2HE       MET 118  -6.875  -3.491   1.517
  925   3HE   MET 118          3HE       MET 118  -7.394  -4.998   0.760
  926    H    LYS 119           H        LYS 119  -8.667  -4.200   6.112
  927    HA   LYS 119           HA       LYS 119 -10.982  -3.915   4.416
  928   1HB   LYS 119          2HB       LYS 119 -11.772  -5.873   5.881
  929   2HB   LYS 119          1HB       LYS 119 -10.381  -6.124   4.827
  930   1HG   LYS 119          2HG       LYS 119  -8.892  -5.678   6.736
  931   2HG   LYS 119          1HG       LYS 119 -10.312  -5.561   7.782
  932   1HD   LYS 119          2HD       LYS 119  -9.352  -7.775   7.969
  933   2HD   LYS 119          1HD       LYS 119 -10.919  -7.878   7.165
  934   1HE   LYS 119          2HE       LYS 119  -9.254  -9.298   6.071
  935   2HE   LYS 119          1HE       LYS 119  -9.818  -8.019   4.998
  936   1HZ   LYS 119          1HZ       LYS 119  -7.617  -7.771   4.670
  937   2HZ   LYS 119          2HZ       LYS 119  -7.185  -8.441   6.160
  938   3HZ   LYS 119          3HZ       LYS 119  -7.707  -6.834   6.076
  939    H    ASN 120           H        ASN 120 -10.101  -2.040   6.745
  940    HA   ASN 120           HA       ASN 120 -12.828  -1.535   7.678
  941   1HB   ASN 120          2HB       ASN 120 -10.527  -1.346   9.610
  942   2HB   ASN 120          1HB       ASN 120 -12.247  -1.440   9.961
  943   1HD2  ASN 120          1HD2      ASN 120  -9.500  -3.049  10.208
  944   2HD2  ASN 120          2HD2      ASN 120 -10.054  -4.683  10.128
  945    H    ARG 121           H        ARG 121 -10.754  -0.450   5.791
  946    HA   ARG 121           HA       ARG 121 -11.012   2.352   6.504
  947   1HB   ARG 121          2HB       ARG 121  -8.274   1.141   6.046
  948   2HB   ARG 121          1HB       ARG 121  -8.625   2.835   6.343
  949   1HG   ARG 121          2HG       ARG 121  -9.304   0.724   8.355
  950   2HG   ARG 121          1HG       ARG 121  -7.692   1.434   8.265
  951   1HD   ARG 121          2HD       ARG 121  -8.654   3.658   8.595
  952   2HD   ARG 121          1HD       ARG 121 -10.269   2.955   8.656
  953    HE   ARG 121           HE       ARG 121  -8.695   1.710  10.602
  954   1HH1  ARG 121          1HH1      ARG 121 -10.062   4.839   9.909
  955   2HH1  ARG 121          2HH1      ARG 121 -10.191   5.294  11.576
  956   1HH2  ARG 121          1HH2      ARG 121  -8.865   2.296  12.798
  957   2HH2  ARG 121          2HH2      ARG 121  -9.512   3.849  13.219
  958    H    GLY 122           H        GLY 122 -11.500   3.420   4.650
  959   1HA   GLY 122          2HA       GLY 122 -11.320   2.127   2.103
  960   2HA   GLY 122          1HA       GLY 122 -11.796   3.791   2.386
  961    H    PHE 123           H        PHE 123  -8.964   3.343   3.942
  962    HA   PHE 123           HA       PHE 123  -7.478   4.951   2.163
  963   1HB   PHE 123          2HB       PHE 123  -6.467   3.234   4.446
  964   2HB   PHE 123          1HB       PHE 123  -5.601   4.559   3.685
  965    HD1  PHE 123           1HD      PHE 123  -5.261   5.758   5.781
  966    HD2  PHE 123           2HD      PHE 123  -9.173   4.772   4.420
  967    HE1  PHE 123           1HE      PHE 123  -6.218   7.327   7.409
  968    HE2  PHE 123           2HE      PHE 123 -10.131   6.341   6.053
  969    HZ   PHE 123           HZ       PHE 123  -8.554   7.592   7.634
  970    H    MET 124           H        MET 124  -7.570   1.511   2.882
  971    HA   MET 124           HA       MET 124  -5.551   0.929   0.873
  972   1HB   MET 124          2HB       MET 124  -6.983  -0.794   2.897
  973   2HB   MET 124          1HB       MET 124  -5.910  -1.455   1.670
  974   1HG   MET 124          2HG       MET 124  -4.714  -1.202   3.733
  975   2HG   MET 124          1HG       MET 124  -4.079  -0.064   2.547
  976   1HE   MET 124          1HE       MET 124  -3.394   0.146   5.568
  977   2HE   MET 124          2HE       MET 124  -3.674   1.843   5.957
  978   3HE   MET 124          3HE       MET 124  -2.862   1.406   4.454
  979    H    LEU 125           H        LEU 125  -8.805  -0.367   1.567
  980    HA   LEU 125           HA       LEU 125  -9.163  -1.777  -0.780
  981   1HB   LEU 125          2HB       LEU 125 -11.233  -0.409   0.921
  982   2HB   LEU 125          1HB       LEU 125 -11.601  -1.556  -0.350
  983    HG   LEU 125           HG       LEU 125 -10.320  -2.042   2.310
  984   1HD1  LEU 125          1HD1      LEU 125 -12.861  -2.429   1.208
  985   2HD1  LEU 125          2HD1      LEU 125 -12.262  -3.005   2.762
  986   3HD1  LEU 125          3HD1      LEU 125 -12.139  -4.034   1.335
  987   1HD2  LEU 125          1HD2      LEU 125  -8.809  -3.090   0.725
  988   2HD2  LEU 125          2HD2      LEU 125 -10.168  -3.871  -0.086
  989   3HD2  LEU 125          3HD2      LEU 125  -9.752  -4.321   1.567
  990    H    TRP 126           H        TRP 126 -10.401   1.554  -0.181
  991    HA   TRP 126           HA       TRP 126 -11.669   1.946  -2.565
  992   1HB   TRP 126          2HB       TRP 126 -11.768   3.612  -0.837
  993   2HB   TRP 126          1HB       TRP 126 -10.051   3.957  -1.005
  994    HD1  TRP 126           HD       TRP 126  -9.833   6.261  -2.019
  995    HE1  TRP 126           1HE      TRP 126 -10.916   7.543  -3.974
  996    HE3  TRP 126           3HE      TRP 126 -13.299   2.788  -3.444
  997    HZ2  TRP 126           2HZ      TRP 126 -12.969   7.134  -5.869
  998    HZ3  TRP 126           3HZ      TRP 126 -14.786   3.310  -5.334
  999    HH2  TRP 126           HH       TRP 126 -14.624   5.438  -6.520
 1000    HA   PRO 127           HA       PRO 127  -7.639   3.484  -4.808
 1001   1HB   PRO 127          2HB       PRO 127  -5.471   2.397  -3.121
 1002   2HB   PRO 127          1HB       PRO 127  -5.621   3.988  -3.874
 1003   1HG   PRO 127          2HG       PRO 127  -5.903   3.690  -1.240
 1004   2HG   PRO 127          1HG       PRO 127  -6.915   4.831  -2.150
 1005   1HD   PRO 127          2HD       PRO 127  -7.590   2.079  -1.154
 1006   2HD   PRO 127          1HD       PRO 127  -8.566   3.564  -1.097
 1007    H    LEU 128           H        LEU 128  -6.880   0.538  -2.937
 1008    HA   LEU 128           HA       LEU 128  -5.662  -0.941  -4.953
 1009   1HB   LEU 128          2HB       LEU 128  -6.317  -1.361  -2.328
 1010   2HB   LEU 128          1HB       LEU 128  -7.390  -2.468  -3.151
 1011    HG   LEU 128           HG       LEU 128  -5.299  -3.332  -4.341
 1012   1HD1  LEU 128          1HD1      LEU 128  -3.638  -2.787  -2.058
 1013   2HD1  LEU 128          2HD1      LEU 128  -4.141  -1.277  -2.817
 1014   3HD1  LEU 128          3HD1      LEU 128  -3.308  -2.507  -3.767
 1015   1HD2  LEU 128          1HD2      LEU 128  -6.450  -3.872  -1.734
 1016   2HD2  LEU 128          2HD2      LEU 128  -4.768  -4.389  -1.845
 1017   3HD2  LEU 128          3HD2      LEU 128  -5.954  -4.989  -3.004
 1018    H    PHE 129           H        PHE 129  -8.995  -0.348  -4.263
 1019    HA   PHE 129           HA       PHE 129 -10.301  -2.368  -5.682
 1020   1HB   PHE 129          2HB       PHE 129 -11.548  -0.887  -4.250
 1021   2HB   PHE 129          1HB       PHE 129 -11.049   0.528  -5.166
 1022    HD1  PHE 129           1HD      PHE 129 -12.594   1.450  -6.597
 1023    HD2  PHE 129           2HD      PHE 129 -12.815  -2.709  -5.724
 1024    HE1  PHE 129           1HE      PHE 129 -14.645   1.281  -7.945
 1025    HE2  PHE 129           2HE      PHE 129 -14.864  -2.887  -7.071
 1026    HZ   PHE 129           HZ       PHE 129 -15.758  -0.856  -8.226
 1027    H    GLU 130           H        GLU 130  -8.319   0.090  -6.787
 1028    HA   GLU 130           HA       GLU 130  -9.461   0.066  -9.490
 1029   1HB   GLU 130          2HB       GLU 130  -9.137   2.272  -8.449
 1030   2HB   GLU 130          1HB       GLU 130  -7.413   1.948  -8.319
 1031   1HG   GLU 130          2HG       GLU 130  -7.219   1.856 -10.730
 1032   2HG   GLU 130          1HG       GLU 130  -8.959   2.092 -10.898
 1033    H    ILE 131           H        ILE 131  -6.472  -0.631  -7.734
 1034    HA   ILE 131           HA       ILE 131  -4.912  -1.038 -10.084
 1035    HB   ILE 131           HB       ILE 131  -3.192  -1.830  -8.678
 1036   1HG1  ILE 131          2HG1      ILE 131  -5.201  -2.221  -6.440
 1037   2HG1  ILE 131          1HG1      ILE 131  -4.607  -3.531  -7.451
 1038   1HG2  ILE 131          1HG2      ILE 131  -3.289  -0.191  -6.754
 1039   2HG2  ILE 131          2HG2      ILE 131  -4.910   0.219  -7.310
 1040   3HG2  ILE 131          3HG2      ILE 131  -3.522   0.482  -8.367
 1041   1HD1  ILE 131          1HD1      ILE 131  -2.402  -3.270  -6.620
 1042   2HD1  ILE 131          2HD1      ILE 131  -3.498  -3.316  -5.239
 1043   3HD1  ILE 131          3HD1      ILE 131  -2.831  -1.776  -5.788
 1044    H    ALA 132           H        ALA 132  -7.013  -2.976  -8.176
 1045    HA   ALA 132           HA       ALA 132  -7.688  -4.839 -10.013
 1046   1HB   ALA 132          1HB       ALA 132  -5.221  -5.733  -8.541
 1047   2HB   ALA 132          2HB       ALA 132  -5.489  -5.672 -10.282
 1048   3HB   ALA 132          3HB       ALA 132  -6.341  -6.864  -9.300
 1049    HA   PRO 133           HA       PRO 133  -9.756  -5.362  -6.005
 1050   1HB   PRO 133          2HB       PRO 133 -12.194  -4.650  -6.694
 1051   2HB   PRO 133          1HB       PRO 133 -10.904  -3.431  -6.591
 1052   1HG   PRO 133          2HG       PRO 133 -12.042  -4.782  -9.019
 1053   2HG   PRO 133          1HG       PRO 133 -11.657  -3.068  -8.773
 1054   1HD   PRO 133          2HD       PRO 133  -9.995  -4.920 -10.019
 1055   2HD   PRO 133          1HD       PRO 133  -9.465  -3.375  -9.326
 1056    H    GLU 134           H        GLU 134  -9.438  -7.192  -8.583
 1057    HA   GLU 134           HA       GLU 134 -11.731  -8.943  -8.144
 1058   1HB   GLU 134          2HB       GLU 134 -10.877 -10.204 -10.069
 1059   2HB   GLU 134          1HB       GLU 134 -11.084  -8.502 -10.464
 1060   1HG   GLU 134          2HG       GLU 134  -8.690  -8.142 -10.202
 1061   2HG   GLU 134          1HG       GLU 134  -8.474  -9.839  -9.775
 1062    H    LEU 135           H        LEU 135  -9.413  -8.447  -6.245
 1063    HA   LEU 135           HA       LEU 135  -8.034 -10.991  -6.169
 1064   1HB   LEU 135          2HB       LEU 135  -7.243  -8.599  -5.386
 1065   2HB   LEU 135          1HB       LEU 135  -8.042  -9.052  -3.896
 1066    HG   LEU 135           HG       LEU 135  -5.664 -10.390  -5.181
 1067   1HD1  LEU 135          1HD1      LEU 135  -6.067  -9.060  -2.518
 1068   2HD1  LEU 135          2HD1      LEU 135  -5.217  -8.371  -3.902
 1069   3HD1  LEU 135          3HD1      LEU 135  -4.575  -9.801  -3.092
 1070   1HD2  LEU 135          1HD2      LEU 135  -7.604 -11.465  -3.251
 1071   2HD2  LEU 135          2HD2      LEU 135  -5.913 -11.616  -2.782
 1072   3HD2  LEU 135          3HD2      LEU 135  -6.466 -12.302  -4.308
 1073    H    VAL 136           H        VAL 136  -8.454 -12.671  -4.844
 1074    HA   VAL 136           HA       VAL 136 -10.553 -12.390  -2.828
 1075    HB   VAL 136           HB       VAL 136 -11.736 -13.260  -4.741
 1076   1HG1  VAL 136          1HG1      VAL 136 -10.906 -15.710  -5.413
 1077   2HG1  VAL 136          2HG1      VAL 136  -9.352 -15.000  -4.980
 1078   3HG1  VAL 136          3HG1      VAL 136 -10.344 -14.254  -6.235
 1079   1HG2  VAL 136          1HG2      VAL 136 -12.379 -15.548  -3.826
 1080   2HG2  VAL 136          2HG2      VAL 136 -12.542 -14.175  -2.731
 1081   3HG2  VAL 136          3HG2      VAL 136 -11.165 -15.267  -2.578
 1082    H    PHE 137           H        PHE 137 -10.184 -13.582  -0.992
 1083    HA   PHE 137           HA       PHE 137  -7.592 -14.734  -0.644
 1084   1HB   PHE 137          2HB       PHE 137 -10.009 -14.606   1.174
 1085   2HB   PHE 137          1HB       PHE 137  -8.449 -15.253   1.661
 1086    HD1  PHE 137           1HD      PHE 137  -9.378 -12.180  -0.259
 1087    HD2  PHE 137           2HD      PHE 137  -7.526 -13.836   3.197
 1088    HE1  PHE 137           1HE      PHE 137  -8.656  -9.931   0.427
 1089    HE2  PHE 137           2HE      PHE 137  -6.800 -11.590   3.886
 1090    HZ   PHE 137           HZ       PHE 137  -7.364  -9.634   2.500
 1091    HA   PRO 138           HA       PRO 138  -8.226 -19.039  -1.397
 1092   1HB   PRO 138          2HB       PRO 138  -7.560 -19.598   1.450
 1093   2HB   PRO 138          1HB       PRO 138  -6.847 -20.267  -0.023
 1094   1HG   PRO 138          2HG       PRO 138  -5.537 -18.447   1.407
 1095   2HG   PRO 138          1HG       PRO 138  -5.497 -18.408  -0.367
 1096   1HD   PRO 138          2HD       PRO 138  -7.043 -16.695   1.532
 1097   2HD   PRO 138          1HD       PRO 138  -6.255 -16.259   0.003
 1098    H    ASP 139           H        ASP 139  -9.909 -17.338   0.994
 1099    HA   ASP 139           HA       ASP 139 -11.760 -19.506   1.623
 1100   1HB   ASP 139          2HB       ASP 139 -10.842 -17.840   3.343
 1101   2HB   ASP 139          1HB       ASP 139 -11.894 -16.652   2.593
 1102    H    GLY 140           H        GLY 140 -12.104 -16.079   0.701
 1103   1HA   GLY 140          2HA       GLY 140 -13.573 -16.376  -1.616
 1104   2HA   GLY 140          1HA       GLY 140 -14.747 -16.425  -0.308
 1105    H    GLU 141           H        GLU 141 -12.784 -14.608   1.204
 1106    HA   GLU 141           HA       GLU 141 -14.078 -12.191   0.891
 1107   1HB   GLU 141          2HB       GLU 141 -12.637 -12.836   2.805
 1108   2HB   GLU 141          1HB       GLU 141 -11.224 -12.629   1.779
 1109   1HG   GLU 141          2HG       GLU 141 -11.736 -10.269   1.523
 1110   2HG   GLU 141          1HG       GLU 141 -13.178 -10.470   2.514
 1111    H    MET 142           H        MET 142 -13.524 -10.224  -0.145
 1112    HA   MET 142           HA       MET 142 -11.367 -10.269  -2.110
 1113   1HB   MET 142          2HB       MET 142 -14.255  -9.743  -2.824
 1114   2HB   MET 142          1HB       MET 142 -12.891  -9.490  -3.905
 1115   1HG   MET 142          2HG       MET 142 -12.389 -11.885  -3.811
 1116   2HG   MET 142          1HG       MET 142 -13.776 -12.125  -2.752
 1117   1HE   MET 142          1HE       MET 142 -16.155 -11.464  -3.360
 1118   2HE   MET 142          2HE       MET 142 -16.802 -11.389  -4.998
 1119   3HE   MET 142          3HE       MET 142 -15.956  -9.998  -4.321
 1120    H    LEU 143           H        LEU 143 -11.027  -8.085  -3.110
 1121    HA   LEU 143           HA       LEU 143 -10.949  -6.057  -1.198
 1122   1HB   LEU 143          2HB       LEU 143  -9.408  -6.166  -3.048
 1123   2HB   LEU 143          1HB       LEU 143 -10.712  -6.125  -4.209
 1124    HG   LEU 143           HG       LEU 143  -9.972  -3.788  -2.454
 1125   1HD1  LEU 143          1HD1      LEU 143  -8.375  -3.215  -3.864
 1126   2HD1  LEU 143          2HD1      LEU 143  -9.372  -3.596  -5.267
 1127   3HD1  LEU 143          3HD1      LEU 143  -8.458  -4.871  -4.462
 1128   1HD2  LEU 143          1HD2      LEU 143 -11.770  -2.791  -3.279
 1129   2HD2  LEU 143          2HD2      LEU 143 -12.232  -4.317  -4.034
 1130   3HD2  LEU 143          3HD2      LEU 143 -11.248  -3.157  -4.922
 1131    H    ARG 144           H        ARG 144 -13.257  -7.051  -3.588
 1132    HA   ARG 144           HA       ARG 144 -14.930  -4.695  -3.302
 1133   1HB   ARG 144          2HB       ARG 144 -14.641  -6.045  -5.447
 1134   2HB   ARG 144          1HB       ARG 144 -15.622  -7.289  -4.691
 1135   1HG   ARG 144          2HG       ARG 144 -16.553  -4.455  -5.097
 1136   2HG   ARG 144          1HG       ARG 144 -16.833  -5.753  -6.255
 1137   1HD   ARG 144          2HD       ARG 144 -18.055  -7.009  -4.538
 1138   2HD   ARG 144          1HD       ARG 144 -17.779  -5.698  -3.391
 1139    HE   ARG 144           HE       ARG 144 -19.027  -4.650  -5.670
 1140   1HH1  ARG 144          1HH1      ARG 144 -19.722  -6.763  -2.985
 1141   2HH1  ARG 144          2HH1      ARG 144 -21.416  -6.404  -2.976
 1142   1HH2  ARG 144          1HH2      ARG 144 -21.254  -4.172  -5.663
 1143   2HH2  ARG 144          2HH2      ARG 144 -22.287  -4.930  -4.498
 1144    H    GLN 145           H        GLN 145 -14.988  -8.115  -2.424
 1145    HA   GLN 145           HA       GLN 145 -17.488  -8.284  -1.257
 1146   1HB   GLN 145          2HB       GLN 145 -16.195 -10.262  -1.651
 1147   2HB   GLN 145          1HB       GLN 145 -14.911  -9.707  -0.589
 1148   1HG   GLN 145          2HG       GLN 145 -17.657 -10.155   0.492
 1149   2HG   GLN 145          1HG       GLN 145 -16.573 -11.518   0.220
 1150   1HE2  GLN 145          1HE2      GLN 145 -14.539  -9.095   0.868
 1151   2HE2  GLN 145          2HE2      GLN 145 -14.401  -9.241   2.581
 1152    H    ILE 146           H        ILE 146 -14.432  -7.222   0.208
 1153    HA   ILE 146           HA       ILE 146 -15.404  -6.963   2.835
 1154    HB   ILE 146           HB       ILE 146 -13.193  -5.349   1.553
 1155   1HG1  ILE 146          2HG1      ILE 146 -13.038  -7.945   3.107
 1156   2HG1  ILE 146          1HG1      ILE 146 -12.860  -7.806   1.361
 1157   1HG2  ILE 146          1HG2      ILE 146 -13.553  -6.038   4.461
 1158   2HG2  ILE 146          2HG2      ILE 146 -14.182  -4.554   3.746
 1159   3HG2  ILE 146          3HG2      ILE 146 -12.446  -4.866   3.744
 1160   1HD1  ILE 146          1HD1      ILE 146 -11.001  -6.030   2.239
 1161   2HD1  ILE 146          2HD1      ILE 146 -10.678  -7.710   1.813
 1162   3HD1  ILE 146          3HD1      ILE 146 -10.946  -7.264   3.497
 1163    H    LEU 147           H        LEU 147 -15.332  -4.738   0.101
 1164    HA   LEU 147           HA       LEU 147 -16.141  -2.405   1.369
 1165   1HB   LEU 147          2HB       LEU 147 -16.842  -3.386  -1.400
 1166   2HB   LEU 147          1HB       LEU 147 -17.076  -1.742  -0.837
 1167    HG   LEU 147           HG       LEU 147 -14.408  -3.133  -1.100
 1168   1HD1  LEU 147          1HD1      LEU 147 -15.600  -2.547  -3.235
 1169   2HD1  LEU 147          2HD1      LEU 147 -14.023  -1.789  -3.010
 1170   3HD1  LEU 147          3HD1      LEU 147 -15.496  -0.858  -2.736
 1171   1HD2  LEU 147          1HD2      LEU 147 -15.185  -0.373  -0.199
 1172   2HD2  LEU 147          2HD2      LEU 147 -13.566  -0.769  -0.771
 1173   3HD2  LEU 147          3HD2      LEU 147 -14.216  -1.569   0.660
 1174    H    HIS 148           H        HIS 148 -18.005  -5.207   0.379
 1175    HA   HIS 148           HA       HIS 148 -20.583  -4.106   0.629
 1176   1HB   HIS 148          2HB       HIS 148 -20.183  -6.277  -0.437
 1177   2HB   HIS 148          1HB       HIS 148 -19.659  -6.951   1.102
 1178    HD1  HIS 148           1HD      HIS 148 -22.794  -5.129  -0.087
 1179    HD2  HIS 148           2HD      HIS 148 -21.643  -8.411   2.186
 1180    HE1  HIS 148           1HE      HIS 148 -24.934  -6.186   0.701
 1181    HE2  HIS 148           2HE      HIS 148 -24.213  -8.135   2.124
 1182    H    THR 149           H        THR 149 -18.220  -4.992   2.934
 1183    HA   THR 149           HA       THR 149 -20.100  -5.103   5.150
 1184    HB   THR 149           HB       THR 149 -17.107  -5.494   4.999
 1185    HG1  THR 149           1HG      THR 149 -17.809  -7.661   5.608
 1186   1HG2  THR 149          1HG2      THR 149 -17.692  -6.597   7.337
 1187   2HG2  THR 149          2HG2      THR 149 -18.897  -5.309   7.348
 1188   3HG2  THR 149          3HG2      THR 149 -17.186  -4.914   7.186
 1189    H    ARG 150           H        ARG 150 -17.178  -3.213   4.300
 1190    HA   ARG 150           HA       ARG 150 -18.018  -1.182   6.231
 1191   1HB   ARG 150          2HB       ARG 150 -15.620  -0.281   5.288
 1192   2HB   ARG 150          1HB       ARG 150 -15.834  -1.280   6.711
 1193   1HG   ARG 150          2HG       ARG 150 -14.095  -2.255   5.448
 1194   2HG   ARG 150          1HG       ARG 150 -15.509  -3.283   5.232
 1195   1HD   ARG 150          2HD       ARG 150 -14.419  -3.000   3.120
 1196   2HD   ARG 150          1HD       ARG 150 -15.949  -2.143   3.098
 1197    HE   ARG 150           HE       ARG 150 -14.765  -0.297   2.561
 1198   1HH1  ARG 150          1HH1      ARG 150 -12.758  -2.272   4.624
 1199   2HH1  ARG 150          2HH1      ARG 150 -11.383  -1.231   4.484
 1200   1HH2  ARG 150          1HH2      ARG 150 -12.953   1.040   2.351
 1201   2HH2  ARG 150          2HH2      ARG 150 -11.494   0.642   3.185
 1202    H    ALA 151           H        ALA 151 -17.077  -1.431   2.816
 1203    HA   ALA 151           HA       ALA 151 -17.469  -0.084   1.030
 1204   1HB   ALA 151          1HB       ALA 151 -19.828  -0.598   1.809
 1205   2HB   ALA 151          2HB       ALA 151 -19.631   0.834   0.801
 1206   3HB   ALA 151          3HB       ALA 151 -19.828   1.005   2.544
 1207    H    PHE 152           H        PHE 152 -15.473   1.027   1.796
 1208    HA   PHE 152           HA       PHE 152 -16.036   3.772   2.678
 1209   1HB   PHE 152          2HB       PHE 152 -13.613   2.021   3.020
 1210   2HB   PHE 152          1HB       PHE 152 -13.542   3.760   3.250
 1211    HD1  PHE 152           1HD      PHE 152 -12.727   3.277   5.512
 1212    HD2  PHE 152           2HD      PHE 152 -16.618   2.116   4.250
 1213    HE1  PHE 152           1HE      PHE 152 -13.406   3.012   7.864
 1214    HE2  PHE 152           2HE      PHE 152 -17.305   1.847   6.597
 1215    HZ   PHE 152           HZ       PHE 152 -15.697   2.295   8.409
 1216    H    ASP 153           H        ASP 153 -16.586   4.006   0.286
 1217    HA   ASP 153           HA       ASP 153 -14.400   4.088  -1.575
 1218   1HB   ASP 153          2HB       ASP 153 -17.187   5.264  -1.770
 1219   2HB   ASP 153          1HB       ASP 153 -16.043   5.127  -3.099
 1220    H    LYS 154           H        LYS 154 -14.328   5.600   0.961
 1221    HA   LYS 154           HA       LYS 154 -14.599   8.352   0.628
 1222   1HB   LYS 154          2HB       LYS 154 -12.772   6.724   2.396
 1223   2HB   LYS 154          1HB       LYS 154 -13.027   8.457   2.573
 1224   1HG   LYS 154          2HG       LYS 154 -15.439   8.007   2.947
 1225   2HG   LYS 154          1HG       LYS 154 -15.081   6.281   2.899
 1226   1HD   LYS 154          2HD       LYS 154 -13.908   8.264   4.851
 1227   2HD   LYS 154          1HD       LYS 154 -15.215   7.131   5.201
 1228   1HE   LYS 154          2HE       LYS 154 -13.717   5.253   4.761
 1229   2HE   LYS 154          1HE       LYS 154 -12.414   6.374   4.367
 1230   1HZ   LYS 154          1HZ       LYS 154 -12.962   5.331   6.830
 1231   2HZ   LYS 154          2HZ       LYS 154 -13.559   6.911   6.929
 1232   3HZ   LYS 154          3HZ       LYS 154 -11.942   6.642   6.508
 1233    H    LEU 155           H        LEU 155 -11.925   9.052   1.606
 1234    HA   LEU 155           HA       LEU 155 -10.003   9.950   0.843
 1235   1HB   LEU 155          2HB       LEU 155  -9.991   7.643  -1.096
 1236   2HB   LEU 155          1HB       LEU 155  -8.613   8.608  -0.608
 1237    HG   LEU 155           HG       LEU 155 -10.099   6.535   0.975
 1238   1HD1  LEU 155          1HD1      LEU 155  -8.389   5.312   0.284
 1239   2HD1  LEU 155          2HD1      LEU 155  -7.326   6.340   1.241
 1240   3HD1  LEU 155          3HD1      LEU 155  -7.617   6.713  -0.457
 1241   1HD2  LEU 155          1HD2      LEU 155  -8.768   8.941   1.973
 1242   2HD2  LEU 155          2HD2      LEU 155  -8.143   7.441   2.657
 1243   3HD2  LEU 155          3HD2      LEU 155  -9.859   7.822   2.792
 1244    H    ASN 156           H        ASN 156 -11.103  11.794   0.020
 1245    HA   ASN 156           HA       ASN 156 -11.930  11.888  -2.728
 1246   1HB   ASN 156          2HB       ASN 156 -12.208  14.316  -2.319
 1247   2HB   ASN 156          1HB       ASN 156 -13.010  13.342  -1.091
 1248   1HD2  ASN 156          1HD2      ASN 156 -11.188  15.999  -1.548
 1249   2HD2  ASN 156          2HD2      ASN 156 -10.434  16.119   0.002
 1250    H    LYS 157           H        LYS 157 -10.682  12.239  -4.447
 1251    HA   LYS 157           HA       LYS 157  -8.025  12.090  -4.619
 1252   1HB   LYS 157          2HB       LYS 157  -9.859  13.792  -6.295
 1253   2HB   LYS 157          1HB       LYS 157  -8.164  13.555  -6.693
 1254   1HG   LYS 157          2HG       LYS 157  -8.519  11.163  -6.885
 1255   2HG   LYS 157          1HG       LYS 157 -10.209  11.362  -6.423
 1256   1HD   LYS 157          2HD       LYS 157 -10.588  12.740  -8.413
 1257   2HD   LYS 157          1HD       LYS 157  -8.896  12.542  -8.871
 1258   1HE   LYS 157          2HE       LYS 157  -9.230  10.126  -9.053
 1259   2HE   LYS 157          1HE       LYS 157 -10.921  10.324  -8.596
 1260   1HZ   LYS 157          1HZ       LYS 157 -10.205  12.000 -10.790
 1261   2HZ   LYS 157          2HZ       LYS 157 -11.457  10.871 -10.665
 1262   3HZ   LYS 157          3HZ       LYS 157  -9.913  10.369 -11.135
 1263    H    TRP 158           H        TRP 158  -6.232  13.301  -4.478
 1264    HA   TRP 158           HA       TRP 158  -5.749  15.132  -2.608
 1265   1HB   TRP 158          2HB       TRP 158  -3.963  14.217  -3.922
 1266   2HB   TRP 158          1HB       TRP 158  -4.553  15.001  -5.375
 1267    HD1  TRP 158           HD       TRP 158  -4.185  17.719  -5.512
 1268    HE1  TRP 158           1HE      TRP 158  -2.344  19.187  -4.474
 1269    HE3  TRP 158           3HE      TRP 158  -2.457  14.467  -1.968
 1270    HZ2  TRP 158           2HZ      TRP 158  -0.407  18.988  -2.433
 1271    HZ3  TRP 158           3HZ      TRP 158  -0.602  15.180  -0.519
 1272    HH2  TRP 158           HH       TRP 158   0.403  17.393  -0.748
  Start of MODEL   12
    1   1H    THR   1          1HT       THR   1   2.320 -14.532  -9.407
    2   2H    THR   1          2HT       THR   1   1.395 -13.697 -10.552
    3   3H    THR   1          3HT       THR   1   0.811 -15.134  -9.878
    4    HA   THR   1           HA       THR   1  -0.362 -13.661  -8.641
    5    HB   THR   1           HB       THR   1   2.308 -13.853  -7.221
    6    HG1  THR   1           1HG      THR   1   1.667 -15.891  -7.563
    7   1HG2  THR   1          1HG2      THR   1   1.077 -12.328  -5.950
    8   2HG2  THR   1          2HG2      THR   1   0.826 -13.887  -5.166
    9   3HG2  THR   1          3HG2      THR   1  -0.433 -13.205  -6.198
   10    H    VAL   2           H        VAL   2  -0.676 -11.555  -7.722
   11    HA   VAL   2           HA       VAL   2   1.216  -9.520  -8.683
   12    HB   VAL   2           HB       VAL   2  -0.690  -9.532 -10.160
   13   1HG1  VAL   2          1HG1      VAL   2  -2.147 -10.039  -7.771
   14   2HG1  VAL   2          2HG1      VAL   2  -2.690 -10.120  -9.445
   15   3HG1  VAL   2          3HG1      VAL   2  -2.803  -8.603  -8.555
   16   1HG2  VAL   2          1HG2      VAL   2  -0.161  -7.248  -8.377
   17   2HG2  VAL   2          2HG2      VAL   2  -1.643  -7.148  -9.328
   18   3HG2  VAL   2          3HG2      VAL   2  -0.089  -7.356 -10.136
   19    H    ALA   3           H        ALA   3   1.588  -7.784  -7.360
   20    HA   ALA   3           HA       ALA   3   0.694  -8.083  -4.604
   21   1HB   ALA   3          1HB       ALA   3   3.155  -7.643  -5.604
   22   2HB   ALA   3          2HB       ALA   3   2.662  -7.209  -3.967
   23   3HB   ALA   3          3HB       ALA   3   2.655  -5.990  -5.242
   24    H    TYR   4           H        TYR   4  -0.370  -6.595  -3.459
   25    HA   TYR   4           HA       TYR   4  -1.537  -4.282  -4.886
   26   1HB   TYR   4          2HB       TYR   4  -2.526  -5.889  -2.525
   27   2HB   TYR   4          1HB       TYR   4  -3.300  -4.429  -3.125
   28    HD1  TYR   4           1HD      TYR   4  -1.811  -6.815  -5.458
   29    HD2  TYR   4           2HD      TYR   4  -5.413  -5.620  -3.543
   30    HE1  TYR   4           1HE      TYR   4  -3.103  -8.166  -7.045
   31    HE2  TYR   4           2HE      TYR   4  -6.709  -6.968  -5.124
   32    HH   TYR   4           HH       TYR   4  -6.618  -8.482  -6.758
   33    H    ILE   5           H        ILE   5   0.431  -3.109  -4.443
   34    HA   ILE   5           HA       ILE   5   1.167  -2.592  -1.700
   35    HB   ILE   5           HB       ILE   5   2.222  -1.177  -4.139
   36   1HG1  ILE   5          2HG1      ILE   5   3.174  -3.785  -2.931
   37   2HG1  ILE   5          1HG1      ILE   5   2.360  -3.610  -4.484
   38   1HG2  ILE   5          1HG2      ILE   5   4.302  -1.206  -2.613
   39   2HG2  ILE   5          2HG2      ILE   5   3.158  -1.568  -1.321
   40   3HG2  ILE   5          3HG2      ILE   5   3.000  -0.074  -2.247
   41   1HD1  ILE   5          1HD1      ILE   5   4.531  -3.730  -5.160
   42   2HD1  ILE   5          2HD1      ILE   5   5.145  -2.931  -3.712
   43   3HD1  ILE   5          3HD1      ILE   5   4.361  -1.984  -4.979
   44    H    ALA   6           H        ALA   6   0.976  -0.715  -0.575
   45    HA   ALA   6           HA       ALA   6  -0.686   1.404  -1.784
   46   1HB   ALA   6          1HB       ALA   6  -2.071   0.323  -0.193
   47   2HB   ALA   6          2HB       ALA   6  -1.514   1.814   0.570
   48   3HB   ALA   6          3HB       ALA   6  -0.777   0.270   1.004
   49    H    ILE   7           H        ILE   7   0.508   3.180  -2.066
   50    HA   ILE   7           HA       ILE   7   2.870   3.603  -0.405
   51    HB   ILE   7           HB       ILE   7   1.928   5.266  -2.739
   52   1HG1  ILE   7          2HG1      ILE   7   2.326   2.966  -3.466
   53   2HG1  ILE   7          1HG1      ILE   7   3.589   4.028  -4.076
   54   1HG2  ILE   7          1HG2      ILE   7   4.777   5.186  -2.204
   55   2HG2  ILE   7          2HG2      ILE   7   3.863   5.788  -0.819
   56   3HG2  ILE   7          3HG2      ILE   7   3.703   6.572  -2.392
   57   1HD1  ILE   7          1HD1      ILE   7   5.193   2.931  -2.981
   58   2HD1  ILE   7          2HD1      ILE   7   3.997   1.643  -2.838
   59   3HD1  ILE   7          3HD1      ILE   7   4.228   2.784  -1.514
   60    H    GLY   8           H        GLY   8   3.283   5.503   0.750
   61   1HA   GLY   8          2HA       GLY   8   1.002   7.311   1.141
   62   2HA   GLY   8          1HA       GLY   8   1.740   6.538   2.538
   63    H    SER   9           H        SER   9   1.574   9.356   2.132
   64    HA   SER   9           HA       SER   9   4.235  10.087   2.697
   65   1HB   SER   9          2HB       SER   9   4.612  11.540   0.670
   66   2HB   SER   9          1HB       SER   9   4.698   9.804   0.371
   67    HG   SER   9           HG       SER   9   2.996   9.936  -0.865
   68    H    ASN  10           H        ASN  10   4.462  12.200   3.388
   69    HA   ASN  10           HA       ASN  10   2.585  14.253   2.991
   70   1HB   ASN  10          2HB       ASN  10   1.752  14.265   5.437
   71   2HB   ASN  10          1HB       ASN  10   0.991  13.158   4.297
   72   1HD2  ASN  10          1HD2      ASN  10   0.478  11.397   5.370
   73   2HD2  ASN  10          2HD2      ASN  10   1.520  10.519   6.442
   74    H    LEU  11           H        LEU  11   5.305  12.909   4.616
   75    HA   LEU  11           HA       LEU  11   5.973  15.480   5.844
   76   1HB   LEU  11          2HB       LEU  11   6.722  12.675   6.351
   77   2HB   LEU  11          1HB       LEU  11   8.013  13.844   6.560
   78    HG   LEU  11           HG       LEU  11   6.883  13.362   8.674
   79   1HD1  LEU  11          1HD1      LEU  11   7.316  15.930   7.547
   80   2HD1  LEU  11          2HD1      LEU  11   7.419  15.435   9.237
   81   3HD1  LEU  11          3HD1      LEU  11   5.889  16.014   8.579
   82   1HD2  LEU  11          1HD2      LEU  11   4.543  14.257   8.966
   83   2HD2  LEU  11          2HD2      LEU  11   4.692  12.778   8.016
   84   3HD2  LEU  11          3HD2      LEU  11   4.443  14.324   7.206
   85    H    ALA  12           H        ALA  12   6.319  14.335   2.874
   86    HA   ALA  12           HA       ALA  12   8.536  16.005   2.267
   87   1HB   ALA  12          1HB       ALA  12   9.828  13.919   1.260
   88   2HB   ALA  12          2HB       ALA  12   9.042  13.104   2.613
   89   3HB   ALA  12          3HB       ALA  12  10.098  14.485   2.909
   90    H    SER  13           H        SER  13   6.706  16.687   0.921
   91    HA   SER  13           HA       SER  13   5.558  16.830  -1.043
   92   1HB   SER  13          2HB       SER  13   7.979  15.322  -2.062
   93   2HB   SER  13          1HB       SER  13   6.824  16.200  -3.067
   94    HG   SER  13           HG       SER  13   7.690  17.812  -1.121
   95    HA   PRO  14           HA       PRO  14   3.548  12.708  -0.503
   96   1HB   PRO  14          2HB       PRO  14   1.295  14.384  -1.472
   97   2HB   PRO  14          1HB       PRO  14   1.355  13.247  -0.120
   98   1HG   PRO  14          2HG       PRO  14   1.366  15.871   0.320
   99   2HG   PRO  14          1HG       PRO  14   2.366  14.780   1.298
  100   1HD   PRO  14          2HD       PRO  14   3.168  16.593  -0.941
  101   2HD   PRO  14          1HD       PRO  14   4.023  16.219   0.570
  102    H    LEU  15           H        LEU  15   3.689  14.935  -3.187
  103    HA   LEU  15           HA       LEU  15   2.576  13.039  -5.065
  104   1HB   LEU  15          2HB       LEU  15   2.133  15.419  -5.329
  105   2HB   LEU  15          1HB       LEU  15   3.848  15.739  -5.489
  106    HG   LEU  15           HG       LEU  15   3.883  14.422  -7.582
  107   1HD1  LEU  15          1HD1      LEU  15   1.815  13.075  -6.861
  108   2HD1  LEU  15          2HD1      LEU  15   1.974  13.518  -8.561
  109   3HD1  LEU  15          3HD1      LEU  15   0.887  14.426  -7.512
  110   1HD2  LEU  15          1HD2      LEU  15   2.790  16.072  -8.957
  111   2HD2  LEU  15          2HD2      LEU  15   3.541  16.875  -7.576
  112   3HD2  LEU  15          3HD2      LEU  15   1.799  16.601  -7.595
  113    H    GLU  16           H        GLU  16   5.763  14.253  -4.179
  114    HA   GLU  16           HA       GLU  16   7.107  13.003  -6.371
  115   1HB   GLU  16          2HB       GLU  16   8.020  14.317  -3.832
  116   2HB   GLU  16          1HB       GLU  16   9.156  13.586  -4.961
  117   1HG   GLU  16          2HG       GLU  16   7.184  15.725  -5.710
  118   2HG   GLU  16          1HG       GLU  16   8.844  16.052  -5.210
  119    H    GLN  17           H        GLN  17   6.187  11.995  -3.174
  120    HA   GLN  17           HA       GLN  17   8.079   9.855  -2.992
  121   1HB   GLN  17          2HB       GLN  17   5.491  10.239  -1.482
  122   2HB   GLN  17          1HB       GLN  17   6.776   9.118  -1.060
  123   1HG   GLN  17          2HG       GLN  17   6.933  12.121  -1.053
  124   2HG   GLN  17          1HG       GLN  17   6.867  11.062   0.352
  125   1HE2  GLN  17          1HE2      GLN  17   8.727  10.599   1.269
  126   2HE2  GLN  17          2HE2      GLN  17  10.283  10.689   0.523
  127    H    VAL  18           H        VAL  18   5.055  10.272  -4.557
  128    HA   VAL  18           HA       VAL  18   4.477   7.433  -4.690
  129    HB   VAL  18           HB       VAL  18   3.082   9.753  -6.032
  130   1HG1  VAL  18          1HG1      VAL  18   2.908   7.042  -6.614
  131   2HG1  VAL  18          2HG1      VAL  18   1.759   8.298  -7.074
  132   3HG1  VAL  18          3HG1      VAL  18   1.504   7.370  -5.596
  133   1HG2  VAL  18          1HG2      VAL  18   3.092   8.910  -3.323
  134   2HG2  VAL  18          2HG2      VAL  18   1.516   8.516  -4.010
  135   3HG2  VAL  18          3HG2      VAL  18   2.120  10.172  -4.076
  136    H    ASN  19           H        ASN  19   5.798   9.951  -6.767
  137    HA   ASN  19           HA       ASN  19   5.629   8.573  -9.204
  138   1HB   ASN  19          2HB       ASN  19   7.603  10.653  -8.260
  139   2HB   ASN  19          1HB       ASN  19   7.529  10.055  -9.915
  140   1HD2  ASN  19          1HD2      ASN  19   6.648  12.530  -8.033
  141   2HD2  ASN  19          2HD2      ASN  19   5.232  13.068  -8.861
  142    H    ALA  20           H        ALA  20   8.319   8.728  -6.869
  143    HA   ALA  20           HA       ALA  20   9.871   6.809  -8.351
  144   1HB   ALA  20          1HB       ALA  20  10.541   8.759  -6.615
  145   2HB   ALA  20          2HB       ALA  20  11.589   7.403  -7.025
  146   3HB   ALA  20          3HB       ALA  20  10.612   7.351  -5.556
  147    H    ALA  21           H        ALA  21   7.530   6.675  -5.802
  148    HA   ALA  21           HA       ALA  21   8.262   4.268  -4.573
  149   1HB   ALA  21          1HB       ALA  21   5.674   5.728  -4.875
  150   2HB   ALA  21          2HB       ALA  21   6.633   5.427  -3.425
  151   3HB   ALA  21          3HB       ALA  21   5.702   4.118  -4.155
  152    H    LEU  22           H        LEU  22   6.048   4.854  -7.297
  153    HA   LEU  22           HA       LEU  22   5.775   2.012  -7.777
  154   1HB   LEU  22          2HB       LEU  22   4.335   2.750  -9.678
  155   2HB   LEU  22          1HB       LEU  22   3.806   3.298  -8.103
  156    HG   LEU  22           HG       LEU  22   4.959   5.507  -8.641
  157   1HD1  LEU  22          1HD1      LEU  22   6.331   5.242 -10.438
  158   2HD1  LEU  22          2HD1      LEU  22   4.876   5.804 -11.259
  159   3HD1  LEU  22          3HD1      LEU  22   5.262   4.083 -11.227
  160   1HD2  LEU  22          1HD2      LEU  22   2.533   5.196  -8.647
  161   2HD2  LEU  22          2HD2      LEU  22   2.607   4.668 -10.328
  162   3HD2  LEU  22          3HD2      LEU  22   3.048   6.322  -9.901
  163    H    LYS  23           H        LYS  23   7.807   4.554  -8.786
  164    HA   LYS  23           HA       LYS  23   8.489   3.556 -11.370
  165   1HB   LYS  23          2HB       LYS  23   8.798   5.926 -10.525
  166   2HB   LYS  23          1HB       LYS  23  10.175   5.338  -9.607
  167   1HG   LYS  23          2HG       LYS  23   9.961   5.038 -12.590
  168   2HG   LYS  23          1HG       LYS  23  10.671   6.452 -11.813
  169   1HD   LYS  23          2HD       LYS  23  12.322   5.018 -10.712
  170   2HD   LYS  23          1HD       LYS  23  11.606   3.601 -11.485
  171   1HE   LYS  23          2HE       LYS  23  12.157   4.517 -13.681
  172   2HE   LYS  23          1HE       LYS  23  12.860   5.942 -12.916
  173   1HZ   LYS  23          1HZ       LYS  23  14.762   4.831 -12.901
  174   2HZ   LYS  23          2HZ       LYS  23  14.022   3.384 -13.368
  175   3HZ   LYS  23          3HZ       LYS  23  14.104   3.802 -11.732
  176    H    ALA  24           H        ALA  24   9.958   3.287  -8.159
  177    HA   ALA  24           HA       ALA  24  12.259   1.878  -8.919
  178   1HB   ALA  24          1HB       ALA  24  10.768   2.130  -6.334
  179   2HB   ALA  24          2HB       ALA  24  12.327   2.816  -6.793
  180   3HB   ALA  24          3HB       ALA  24  12.183   1.087  -6.476
  181    H    LEU  25           H        LEU  25   8.981   0.834  -8.660
  182    HA   LEU  25           HA       LEU  25   9.509  -1.924  -8.165
  183   1HB   LEU  25          2HB       LEU  25   7.104  -0.556  -9.374
  184   2HB   LEU  25          1HB       LEU  25   7.166  -2.258  -8.957
  185    HG   LEU  25           HG       LEU  25   7.429   0.031  -7.004
  186   1HD1  LEU  25          1HD1      LEU  25   5.149  -1.587  -7.965
  187   2HD1  LEU  25          2HD1      LEU  25   5.196   0.074  -7.375
  188   3HD1  LEU  25          3HD1      LEU  25   5.233  -1.269  -6.232
  189   1HD2  LEU  25          1HD2      LEU  25   7.001  -2.831  -6.259
  190   2HD2  LEU  25          2HD2      LEU  25   7.672  -1.510  -5.302
  191   3HD2  LEU  25          3HD2      LEU  25   8.631  -2.241  -6.588
  192    H    GLY  26           H        GLY  26   9.551   0.079 -10.987
  193   1HA   GLY  26          2HA       GLY  26   9.257  -1.997 -12.921
  194   2HA   GLY  26          1HA       GLY  26   9.900  -0.388 -13.215
  195    H    ASP  27           H        ASP  27  11.718  -1.320 -10.764
  196    HA   ASP  27           HA       ASP  27  13.705  -2.660 -12.478
  197   1HB   ASP  27          2HB       ASP  27  14.369  -0.363 -11.943
  198   2HB   ASP  27          1HB       ASP  27  14.189  -0.700 -10.224
  199    H    ILE  28           H        ILE  28  11.875  -2.796  -9.599
  200    HA   ILE  28           HA       ILE  28  13.466  -4.281  -7.881
  201    HB   ILE  28           HB       ILE  28  10.481  -4.370  -8.309
  202   1HG1  ILE  28          2HG1      ILE  28  11.331  -2.240  -7.479
  203   2HG1  ILE  28          1HG1      ILE  28  10.443  -3.066  -6.203
  204   1HG2  ILE  28          1HG2      ILE  28  10.461  -5.420  -5.993
  205   2HG2  ILE  28          2HG2      ILE  28  12.163  -5.789  -6.266
  206   3HG2  ILE  28          3HG2      ILE  28  10.934  -6.459  -7.338
  207   1HD1  ILE  28          1HD1      ILE  28  12.263  -2.343  -5.045
  208   2HD1  ILE  28          2HD1      ILE  28  13.344  -2.487  -6.430
  209   3HD1  ILE  28          3HD1      ILE  28  12.836  -3.931  -5.554
  210    HA   PRO  29           HA       PRO  29  14.256  -8.103  -9.982
  211   1HB   PRO  29          2HB       PRO  29  14.447  -9.692  -7.719
  212   2HB   PRO  29          1HB       PRO  29  15.761  -8.725  -8.391
  213   1HG   PRO  29          2HG       PRO  29  13.909  -8.097  -6.132
  214   2HG   PRO  29          1HG       PRO  29  15.648  -7.785  -6.276
  215   1HD   PRO  29          2HD       PRO  29  13.859  -5.828  -6.631
  216   2HD   PRO  29          1HD       PRO  29  15.324  -5.923  -7.631
  217    H    GLU  30           H        GLU  30  13.021  -9.698 -10.808
  218    HA   GLU  30           HA       GLU  30  11.087 -10.809 -11.318
  219   1HB   GLU  30          2HB       GLU  30  11.381 -11.416  -8.373
  220   2HB   GLU  30          1HB       GLU  30  10.209 -12.215  -9.411
  221   1HG   GLU  30          2HG       GLU  30  11.982 -13.697  -9.362
  222   2HG   GLU  30          1HG       GLU  30  12.216 -12.823 -10.870
  223    H    SER  31           H        SER  31  10.279  -8.428 -11.485
  224    HA   SER  31           HA       SER  31   7.636  -8.393 -10.373
  225   1HB   SER  31          2HB       SER  31   8.658  -7.481  -8.443
  226   2HB   SER  31          1HB       SER  31   9.715  -6.443  -9.398
  227    HG   SER  31           HG       SER  31   8.142  -5.107  -8.780
  228    H    HIS  32           H        HIS  32   6.291  -6.696 -11.240
  229    HA   HIS  32           HA       HIS  32   7.325  -4.815 -13.130
  230   1HB   HIS  32          2HB       HIS  32   7.481  -7.056 -14.316
  231   2HB   HIS  32          1HB       HIS  32   5.725  -7.064 -14.334
  232    HD1  HIS  32           1HD      HIS  32   4.860  -4.467 -15.307
  233    HD2  HIS  32           2HD      HIS  32   8.361  -6.198 -16.722
  234    HE1  HIS  32           1HE      HIS  32   5.313  -3.358 -17.519
  235    HE2  HIS  32           2HE      HIS  32   7.382  -4.492 -18.401
  236    H    ILE  33           H        ILE  33   5.994  -3.140 -12.760
  237    HA   ILE  33           HA       ILE  33   3.393  -3.415 -11.698
  238    HB   ILE  33           HB       ILE  33   4.996  -1.128 -12.728
  239   1HG1  ILE  33          2HG1      ILE  33   3.462  -1.692 -10.186
  240   2HG1  ILE  33          1HG1      ILE  33   5.198  -1.860 -10.415
  241   1HG2  ILE  33          1HG2      ILE  33   2.025  -0.975 -12.227
  242   2HG2  ILE  33          2HG2      ILE  33   2.847  -0.697 -13.763
  243   3HG2  ILE  33          3HG2      ILE  33   3.097   0.413 -12.416
  244   1HD1  ILE  33          1HD1      ILE  33   5.569   0.324 -10.111
  245   2HD1  ILE  33          2HD1      ILE  33   3.980   0.307  -9.348
  246   3HD1  ILE  33          3HD1      ILE  33   4.144   0.801 -11.033
  247    H    LEU  34           H        LEU  34   1.399  -3.366 -12.585
  248    HA   LEU  34           HA       LEU  34   1.263  -3.598 -15.514
  249   1HB   LEU  34          2HB       LEU  34   0.520  -5.573 -14.287
  250   2HB   LEU  34          1HB       LEU  34  -0.626  -4.602 -13.383
  251    HG   LEU  34           HG       LEU  34  -1.835  -4.118 -15.498
  252   1HD1  LEU  34          1HD1      LEU  34   0.380  -4.757 -16.812
  253   2HD1  LEU  34          2HD1      LEU  34  -1.222  -4.920 -17.535
  254   3HD1  LEU  34          3HD1      LEU  34  -0.410  -6.334 -16.859
  255   1HD2  LEU  34          1HD2      LEU  34  -3.102  -5.980 -15.286
  256   2HD2  LEU  34          2HD2      LEU  34  -2.057  -6.251 -13.891
  257   3HD2  LEU  34          3HD2      LEU  34  -1.720  -7.069 -15.417
  258    H    THR  35           H        THR  35  -0.964  -2.597 -12.898
  259    HA   THR  35           HA       THR  35  -1.787  -0.346 -14.619
  260    HB   THR  35           HB       THR  35  -3.978  -0.456 -13.475
  261    HG1  THR  35           1HG      THR  35  -2.874  -1.684 -11.630
  262   1HG2  THR  35          1HG2      THR  35  -4.382  -1.646 -15.326
  263   2HG2  THR  35          2HG2      THR  35  -4.411  -3.013 -14.212
  264   3HG2  THR  35          3HG2      THR  35  -2.945  -2.647 -15.122
  265    H    VAL  36           H        VAL  36  -2.567   1.579 -13.449
  266    HA   VAL  36           HA       VAL  36  -1.318   1.906 -10.806
  267    HB   VAL  36           HB       VAL  36  -1.153   3.932 -13.044
  268   1HG1  VAL  36          1HG1      VAL  36   0.467   4.119 -10.562
  269   2HG1  VAL  36          2HG1      VAL  36  -1.238   4.558 -10.470
  270   3HG1  VAL  36          3HG1      VAL  36  -0.171   5.395 -11.597
  271   1HG2  VAL  36          1HG2      VAL  36   1.401   3.365 -12.520
  272   2HG2  VAL  36          2HG2      VAL  36   0.463   2.489 -13.730
  273   3HG2  VAL  36          3HG2      VAL  36   0.689   1.802 -12.122
  274    H    SER  37           H        SER  37  -2.404   3.185  -9.371
  275    HA   SER  37           HA       SER  37  -5.119   3.944 -10.131
  276   1HB   SER  37          2HB       SER  37  -3.746   3.503  -7.486
  277   2HB   SER  37          1HB       SER  37  -5.323   4.293  -7.583
  278    HG   SER  37           HG       SER  37  -6.179   2.443  -8.452
  279    H    SER  38           H        SER  38  -5.822   5.947  -8.536
  280    HA   SER  38           HA       SER  38  -4.173   8.157  -9.515
  281   1HB   SER  38          2HB       SER  38  -6.980   8.145  -8.383
  282   2HB   SER  38          1HB       SER  38  -6.141   9.569  -8.999
  283    HG   SER  38           HG       SER  38  -6.732   7.229 -10.497
  284    H    PHE  39           H        PHE  39  -4.625  10.190  -7.894
  285    HA   PHE  39           HA       PHE  39  -3.340   9.359  -5.402
  286   1HB   PHE  39          2HB       PHE  39  -2.847  11.832  -5.180
  287   2HB   PHE  39          1HB       PHE  39  -2.077  11.021  -6.537
  288    HD1  PHE  39           1HD      PHE  39  -5.135  13.003  -5.722
  289    HD2  PHE  39           2HD      PHE  39  -2.189  11.982  -8.616
  290    HE1  PHE  39           1HE      PHE  39  -6.068  14.684  -7.257
  291    HE2  PHE  39           2HE      PHE  39  -3.115  13.662 -10.157
  292    HZ   PHE  39           HZ       PHE  39  -5.056  15.017  -9.479
  293    H    TYR  40           H        TYR  40  -4.182   9.780  -3.396
  294    HA   TYR  40           HA       TYR  40  -6.733  11.216  -3.258
  295   1HB   TYR  40          2HB       TYR  40  -6.294   8.469  -2.070
  296   2HB   TYR  40          1HB       TYR  40  -7.740   9.450  -1.881
  297    HD1  TYR  40           1HD      TYR  40  -5.678   7.670  -4.409
  298    HD2  TYR  40           2HD      TYR  40  -9.473   9.347  -3.464
  299    HE1  TYR  40           1HE      TYR  40  -6.626   6.656  -6.439
  300    HE2  TYR  40           2HE      TYR  40 -10.429   8.336  -5.490
  301    HH   TYR  40           HH       TYR  40  -9.680   6.130  -6.981
  302    H    ARG  41           H        ARG  41  -6.835  12.566  -1.600
  303    HA   ARG  41           HA       ARG  41  -4.701  12.605   0.360
  304   1HB   ARG  41          2HB       ARG  41  -5.739  14.653  -0.817
  305   2HB   ARG  41          1HB       ARG  41  -7.086  14.449   0.294
  306   1HG   ARG  41          2HG       ARG  41  -5.461  14.639   2.182
  307   2HG   ARG  41          1HG       ARG  41  -4.221  15.027   0.987
  308   1HD   ARG  41          2HD       ARG  41  -5.506  16.965   0.261
  309   2HD   ARG  41          1HD       ARG  41  -6.776  16.571   1.419
  310    HE   ARG  41           HE       ARG  41  -4.432  18.029   1.954
  311   1HH1  ARG  41          1HH1      ARG  41  -6.430  15.537   3.360
  312   2HH1  ARG  41          2HH1      ARG  41  -6.000  15.938   4.988
  313   1HH2  ARG  41          1HH2      ARG  41  -3.863  18.555   4.095
  314   2HH2  ARG  41          2HH2      ARG  41  -4.544  17.650   5.406
  315    H    THR  42           H        THR  42  -4.938  12.099   2.539
  316    HA   THR  42           HA       THR  42  -7.509  11.718   3.756
  317    HB   THR  42           HB       THR  42  -7.545   9.701   2.485
  318    HG1  THR  42           1HG      THR  42  -6.816   8.187   4.424
  319   1HG2  THR  42          1HG2      THR  42  -5.193   8.378   3.504
  320   2HG2  THR  42          2HG2      THR  42  -4.793   9.799   2.539
  321   3HG2  THR  42          3HG2      THR  42  -5.792   8.518   1.851
  322    HA   PRO  43           HA       PRO  43  -4.950  12.117   7.370
  323   1HB   PRO  43          2HB       PRO  43  -6.543  11.193   9.313
  324   2HB   PRO  43          1HB       PRO  43  -6.946  12.662   8.415
  325   1HG   PRO  43          2HG       PRO  43  -8.005   9.883   8.071
  326   2HG   PRO  43          1HG       PRO  43  -8.882  11.423   8.059
  327   1HD   PRO  43          2HD       PRO  43  -8.127  10.073   5.791
  328   2HD   PRO  43          1HD       PRO  43  -8.385  11.827   5.862
  329    HA   PRO  44           HA       PRO  44  -2.814   8.129   7.451
  330   1HB   PRO  44          2HB       PRO  44  -1.244   9.539   9.528
  331   2HB   PRO  44          1HB       PRO  44  -0.694   8.686   8.082
  332   1HG   PRO  44          2HG       PRO  44  -0.684  11.350   8.193
  333   2HG   PRO  44          1HG       PRO  44  -1.103  10.493   6.700
  334   1HD   PRO  44          2HD       PRO  44  -2.882  11.885   8.651
  335   2HD   PRO  44          1HD       PRO  44  -3.008  11.771   6.887
  336    H    LEU  45           H        LEU  45  -3.660   9.864  10.434
  337    HA   LEU  45           HA       LEU  45  -4.471   9.164  12.432
  338   1HB   LEU  45          2HB       LEU  45  -5.086   6.785  10.736
  339   2HB   LEU  45          1HB       LEU  45  -5.208   6.620  12.476
  340    HG   LEU  45           HG       LEU  45  -6.801   8.558  12.480
  341   1HD1  LEU  45          1HD1      LEU  45  -7.290   9.715  10.649
  342   2HD1  LEU  45          2HD1      LEU  45  -7.523   8.250   9.694
  343   3HD1  LEU  45          3HD1      LEU  45  -5.906   8.923   9.894
  344   1HD2  LEU  45          1HD2      LEU  45  -8.406   6.933  10.872
  345   2HD2  LEU  45          2HD2      LEU  45  -8.231   6.868  12.626
  346   3HD2  LEU  45          3HD2      LEU  45  -7.217   5.853  11.600
  347    H    GLY  46           H        GLY  46  -2.759   9.265  13.815
  348   1HA   GLY  46          2HA       GLY  46  -1.711   7.464  15.320
  349   2HA   GLY  46          1HA       GLY  46  -0.911   6.967  13.845
  350    HA   PRO  47           HA       PRO  47   2.214   9.779  15.490
  351   1HB   PRO  47          2HB       PRO  47   4.308   8.469  14.568
  352   2HB   PRO  47          1HB       PRO  47   3.272   7.730  15.794
  353   1HG   PRO  47          2HG       PRO  47   3.354   7.243  12.852
  354   2HG   PRO  47          1HG       PRO  47   3.230   6.073  14.179
  355   1HD   PRO  47          2HD       PRO  47   1.091   7.073  12.708
  356   2HD   PRO  47          1HD       PRO  47   0.971   6.293  14.295
  357    H    GLN  48           H        GLN  48   4.445  10.462  14.344
  358    HA   GLN  48           HA       GLN  48   5.549  11.667  12.789
  359   1HB   GLN  48          2HB       GLN  48   5.371  11.178  10.605
  360   2HB   GLN  48          1HB       GLN  48   4.295   9.912  11.161
  361   1HG   GLN  48          2HG       GLN  48   2.647  12.122  10.896
  362   2HG   GLN  48          1HG       GLN  48   3.753  12.247   9.533
  363   1HE2  GLN  48          1HE2      GLN  48   1.066  10.712  10.845
  364   2HE2  GLN  48          2HE2      GLN  48   0.834   9.528   9.626
  365    H    ASP  49           H        ASP  49   2.043  12.121  12.567
  366    HA   ASP  49           HA       ASP  49   1.512  14.430  13.672
  367   1HB   ASP  49          2HB       ASP  49   3.408  15.547  12.570
  368   2HB   ASP  49          1HB       ASP  49   2.720  15.174  10.994
  369    H    GLN  50           H        GLN  50   1.096  12.376  10.996
  370    HA   GLN  50           HA       GLN  50  -0.646  11.833   9.666
  371   1HB   GLN  50          2HB       GLN  50  -2.009  12.986  12.051
  372   2HB   GLN  50          1HB       GLN  50  -2.944  12.491  10.651
  373   1HG   GLN  50          2HG       GLN  50  -2.803  10.780  12.409
  374   2HG   GLN  50          1HG       GLN  50  -2.188  10.258  10.845
  375   1HE2  GLN  50          1HE2      GLN  50  -0.732   8.794  11.326
  376   2HE2  GLN  50          2HE2      GLN  50   0.618   9.036  12.362
  377    HA   PRO  51           HA       PRO  51  -1.190  16.172   8.039
  378   1HB   PRO  51          2HB       PRO  51   0.922  15.848   6.145
  379   2HB   PRO  51          1HB       PRO  51   0.890  16.913   7.551
  380   1HG   PRO  51          2HG       PRO  51   2.557  14.724   7.259
  381   2HG   PRO  51          1HG       PRO  51   2.138  15.483   8.802
  382   1HD   PRO  51          2HD       PRO  51   1.016  13.022   7.523
  383   2HD   PRO  51          1HD       PRO  51   1.371  13.347   9.235
  384    H    ASP  52           H        ASP  52  -0.658  16.469   5.300
  385    HA   ASP  52           HA       ASP  52  -2.889  15.232   4.129
  386   1HB   ASP  52          2HB       ASP  52  -1.935  16.160   1.984
  387   2HB   ASP  52          1HB       ASP  52  -2.156  17.339   3.273
  388    H    TYR  53           H        TYR  53  -2.554  13.001   4.560
  389    HA   TYR  53           HA       TYR  53  -0.368  11.540   3.471
  390   1HB   TYR  53          2HB       TYR  53  -1.842  10.973   5.482
  391   2HB   TYR  53          1HB       TYR  53  -3.043  10.447   4.315
  392    HD1  TYR  53           1HD      TYR  53  -3.155   8.174   4.758
  393    HD2  TYR  53           2HD      TYR  53   0.617   9.995   4.098
  394    HE1  TYR  53           1HE      TYR  53  -2.110   5.949   4.649
  395    HE2  TYR  53           2HE      TYR  53   1.686   7.779   3.990
  396    HH   TYR  53           HH       TYR  53  -0.241   4.811   4.191
  397    H    LEU  54           H        LEU  54  -0.125  11.301   1.320
  398    HA   LEU  54           HA       LEU  54  -2.520  11.062  -0.355
  399   1HB   LEU  54          2HB       LEU  54  -0.763  12.736  -0.943
  400   2HB   LEU  54          1HB       LEU  54   0.356  11.410  -1.203
  401    HG   LEU  54           HG       LEU  54  -1.208  10.544  -2.971
  402   1HD1  LEU  54          1HD1      LEU  54  -2.480  13.052  -3.514
  403   2HD1  LEU  54          2HD1      LEU  54  -2.910  12.497  -1.897
  404   3HD1  LEU  54          3HD1      LEU  54  -3.199  11.457  -3.292
  405   1HD2  LEU  54          1HD2      LEU  54   0.580  11.536  -3.957
  406   2HD2  LEU  54          2HD2      LEU  54   0.345  13.065  -3.109
  407   3HD2  LEU  54          3HD2      LEU  54  -0.672  12.657  -4.491
  408    H    ASN  55           H        ASN  55  -3.204   9.042  -0.669
  409    HA   ASN  55           HA       ASN  55  -1.205   6.894  -0.833
  410   1HB   ASN  55          2HB       ASN  55  -4.158   6.800  -0.207
  411   2HB   ASN  55          1HB       ASN  55  -3.172   5.365  -0.467
  412   1HD2  ASN  55          1HD2      ASN  55  -4.554   7.043   1.849
  413   2HD2  ASN  55          2HD2      ASN  55  -3.431   6.822   3.140
  414    H    ALA  56           H        ALA  56  -1.465   5.234  -2.388
  415    HA   ALA  56           HA       ALA  56  -3.294   5.415  -4.552
  416   1HB   ALA  56          1HB       ALA  56  -1.690   7.328  -5.015
  417   2HB   ALA  56          2HB       ALA  56  -1.903   6.154  -6.312
  418   3HB   ALA  56          3HB       ALA  56  -0.460   6.095  -5.300
  419    H    ALA  57           H        ALA  57  -3.635   3.248  -4.427
  420    HA   ALA  57           HA       ALA  57  -1.580   1.347  -3.991
  421   1HB   ALA  57          1HB       ALA  57  -3.776   0.786  -3.336
  422   2HB   ALA  57          2HB       ALA  57  -3.371  -0.283  -4.680
  423   3HB   ALA  57          3HB       ALA  57  -4.417   1.112  -4.945
  424    H    VAL  58           H        VAL  58  -1.256  -0.538  -5.543
  425    HA   VAL  58           HA       VAL  58  -1.540  -0.057  -8.341
  426    HB   VAL  58           HB       VAL  58   0.275   1.459  -8.028
  427   1HG1  VAL  58          1HG1      VAL  58   1.883  -0.788  -6.829
  428   2HG1  VAL  58          2HG1      VAL  58   1.089   0.475  -5.887
  429   3HG1  VAL  58          3HG1      VAL  58   2.374   0.895  -7.021
  430   1HG2  VAL  58          1HG2      VAL  58   0.963   0.729 -10.010
  431   2HG2  VAL  58          2HG2      VAL  58   0.500  -0.926  -9.615
  432   3HG2  VAL  58          3HG2      VAL  58   2.097  -0.325  -9.170
  433    H    ALA  59           H        ALA  59  -1.844  -1.984  -9.206
  434    HA   ALA  59           HA       ALA  59  -1.138  -4.367  -7.763
  435   1HB   ALA  59          1HB       ALA  59  -1.994  -4.794 -10.503
  436   2HB   ALA  59          2HB       ALA  59  -3.065  -3.699  -9.631
  437   3HB   ALA  59          3HB       ALA  59  -2.743  -5.311  -8.991
  438    H    LEU  60           H        LEU  60   1.111  -4.344  -7.682
  439    HA   LEU  60           HA       LEU  60   2.758  -4.200 -10.004
  440   1HB   LEU  60          2HB       LEU  60   3.613  -3.593  -7.809
  441   2HB   LEU  60          1HB       LEU  60   3.318  -5.216  -7.219
  442    HG   LEU  60           HG       LEU  60   5.040  -6.084  -8.813
  443   1HD1  LEU  60          1HD1      LEU  60   4.681  -3.685 -10.097
  444   2HD1  LEU  60          2HD1      LEU  60   6.014  -4.807 -10.365
  445   3HD1  LEU  60          3HD1      LEU  60   6.216  -3.445  -9.262
  446   1HD2  LEU  60          1HD2      LEU  60   5.503  -4.276  -6.543
  447   2HD2  LEU  60          2HD2      LEU  60   6.898  -4.495  -7.599
  448   3HD2  LEU  60          3HD2      LEU  60   6.126  -5.895  -6.857
  449    H    GLU  61           H        GLU  61   2.751  -5.758 -11.528
  450    HA   GLU  61           HA       GLU  61   1.967  -8.449 -10.897
  451   1HB   GLU  61          2HB       GLU  61   1.604  -7.267 -13.127
  452   2HB   GLU  61          1HB       GLU  61   3.319  -7.505 -13.426
  453   1HG   GLU  61          2HG       GLU  61   3.031  -9.915 -13.237
  454   2HG   GLU  61          1HG       GLU  61   1.316  -9.684 -12.933
  455    H    THR  62           H        THR  62   3.417  -9.130  -9.357
  456    HA   THR  62           HA       THR  62   6.166  -9.547 -10.309
  457    HB   THR  62           HB       THR  62   6.284  -7.833  -8.661
  458    HG1  THR  62           1HG      THR  62   7.482  -8.870  -7.046
  459   1HG2  THR  62          1HG2      THR  62   4.231  -9.413  -7.263
  460   2HG2  THR  62          2HG2      THR  62   4.468  -7.667  -7.350
  461   3HG2  THR  62          3HG2      THR  62   5.451  -8.636  -6.254
  462    H    SER  63           H        SER  63   7.111 -11.466  -9.907
  463    HA   SER  63           HA       SER  63   5.414 -13.544  -8.693
  464   1HB   SER  63          2HB       SER  63   7.641 -13.829 -10.735
  465   2HB   SER  63          1HB       SER  63   6.721 -15.163 -10.038
  466    HG   SER  63           HG       SER  63   4.895 -13.602 -10.923
  467    H    LEU  64           H        LEU  64   7.561 -11.483  -7.796
  468    HA   LEU  64           HA       LEU  64   9.735 -13.026  -6.804
  469   1HB   LEU  64          2HB       LEU  64   9.619 -10.522  -7.221
  470   2HB   LEU  64          1HB       LEU  64   8.734 -10.403  -5.718
  471    HG   LEU  64           HG       LEU  64  11.237  -9.897  -5.699
  472   1HD1  LEU  64          1HD1      LEU  64  11.100 -10.140  -3.495
  473   2HD1  LEU  64          2HD1      LEU  64  10.917 -11.890  -3.620
  474   3HD1  LEU  64          3HD1      LEU  64   9.508 -10.841  -3.783
  475   1HD2  LEU  64          1HD2      LEU  64  12.110 -11.721  -6.939
  476   2HD2  LEU  64          2HD2      LEU  64  11.305 -12.895  -5.898
  477   3HD2  LEU  64          3HD2      LEU  64  12.639 -11.929  -5.270
  478    H    ALA  65           H        ALA  65  10.204 -13.452  -4.533
  479    HA   ALA  65           HA       ALA  65   8.336 -14.983  -3.246
  480   1HB   ALA  65          1HB       ALA  65  10.703 -13.497  -2.129
  481   2HB   ALA  65          2HB       ALA  65  10.614 -15.187  -2.625
  482   3HB   ALA  65          3HB       ALA  65   9.749 -14.644  -1.187
  483    HA   PRO  66           HA       PRO  66   5.266 -12.151  -1.733
  484   1HB   PRO  66          2HB       PRO  66   4.948 -14.106   0.453
  485   2HB   PRO  66          1HB       PRO  66   3.759 -13.503  -0.697
  486   1HG   PRO  66          2HG       PRO  66   4.838 -15.995  -0.812
  487   2HG   PRO  66          1HG       PRO  66   4.228 -15.124  -2.229
  488   1HD   PRO  66          2HD       PRO  66   6.999 -15.714  -1.427
  489   2HD   PRO  66          1HD       PRO  66   6.339 -15.337  -3.030
  490    H    GLU  67           H        GLU  67   7.853 -13.450   0.173
  491    HA   GLU  67           HA       GLU  67   7.409 -11.542   2.319
  492   1HB   GLU  67          2HB       GLU  67   9.476 -12.739   3.279
  493   2HB   GLU  67          1HB       GLU  67   7.954 -13.621   3.202
  494   1HG   GLU  67          2HG       GLU  67   8.671 -14.728   1.189
  495   2HG   GLU  67          1HG       GLU  67  10.171 -13.820   1.180
  496    H    GLU  68           H        GLU  68   9.640 -12.132  -0.325
  497    HA   GLU  68           HA       GLU  68  11.399 -10.033   0.610
  498   1HB   GLU  68          2HB       GLU  68  12.325 -12.066  -0.455
  499   2HB   GLU  68          1HB       GLU  68  11.549 -11.600  -1.964
  500   1HG   GLU  68          2HG       GLU  68  12.866  -9.548  -2.015
  501   2HG   GLU  68          1HG       GLU  68  13.641 -10.005  -0.499
  502    H    LEU  69           H        LEU  69   8.690 -10.339  -1.519
  503    HA   LEU  69           HA       LEU  69   9.222  -8.217  -3.277
  504   1HB   LEU  69          2HB       LEU  69   7.406  -9.815  -3.615
  505   2HB   LEU  69          1HB       LEU  69   6.564  -9.193  -2.221
  506    HG   LEU  69           HG       LEU  69   5.655  -8.460  -4.440
  507   1HD1  LEU  69          1HD1      LEU  69   4.842  -6.623  -3.478
  508   2HD1  LEU  69          2HD1      LEU  69   6.442  -5.904  -3.289
  509   3HD1  LEU  69          3HD1      LEU  69   5.848  -7.060  -2.097
  510   1HD2  LEU  69          1HD2      LEU  69   8.370  -7.836  -4.912
  511   2HD2  LEU  69          2HD2      LEU  69   7.464  -6.323  -4.931
  512   3HD2  LEU  69          3HD2      LEU  69   6.994  -7.643  -6.000
  513    H    LEU  70           H        LEU  70   7.080  -8.179  -0.392
  514    HA   LEU  70           HA       LEU  70   6.899  -5.408  -0.192
  515   1HB   LEU  70          2HB       LEU  70   5.657  -7.133   1.206
  516   2HB   LEU  70          1HB       LEU  70   7.110  -7.254   2.185
  517    HG   LEU  70           HG       LEU  70   6.919  -4.937   2.855
  518   1HD1  LEU  70          1HD1      LEU  70   5.295  -3.471   2.011
  519   2HD1  LEU  70          2HD1      LEU  70   4.478  -4.771   1.145
  520   3HD1  LEU  70          3HD1      LEU  70   6.072  -4.230   0.625
  521   1HD2  LEU  70          1HD2      LEU  70   5.675  -6.228   4.326
  522   2HD2  LEU  70          2HD2      LEU  70   4.468  -6.631   3.104
  523   3HD2  LEU  70          3HD2      LEU  70   4.513  -5.011   3.798
  524    H    ASN  71           H        ASN  71   9.189  -7.665   1.223
  525    HA   ASN  71           HA       ASN  71  10.807  -5.942   2.645
  526   1HB   ASN  71          2HB       ASN  71  11.089  -8.384   2.672
  527   2HB   ASN  71          1HB       ASN  71  11.707  -8.333   1.024
  528   1HD2  ASN  71          1HD2      ASN  71  12.494  -8.263   4.265
  529   2HD2  ASN  71          2HD2      ASN  71  14.132  -7.735   4.129
  530    H    HIS  72           H        HIS  72  10.647  -6.448  -0.822
  531    HA   HIS  72           HA       HIS  72  12.997  -4.901  -1.397
  532   1HB   HIS  72          2HB       HIS  72  10.790  -6.059  -3.076
  533   2HB   HIS  72          1HB       HIS  72  11.910  -4.892  -3.762
  534    HD1  HIS  72           1HD      HIS  72  14.564  -5.812  -2.696
  535    HD2  HIS  72           2HD      HIS  72  11.639  -8.441  -4.033
  536    HE1  HIS  72           1HE      HIS  72  15.789  -7.915  -3.325
  537    HE2  HIS  72           2HE      HIS  72  13.993  -9.511  -4.083
  538    H    THR  73           H        THR  73   9.487  -4.407  -1.476
  539    HA   THR  73           HA       THR  73   9.446  -1.772  -2.429
  540    HB   THR  73           HB       THR  73   7.256  -1.607  -1.520
  541    HG1  THR  73           1HG      THR  73   6.687  -2.467   0.312
  542   1HG2  THR  73          1HG2      THR  73   8.034  -4.114  -2.709
  543   2HG2  THR  73          2HG2      THR  73   6.587  -3.141  -2.966
  544   3HG2  THR  73          3HG2      THR  73   6.645  -4.302  -1.639
  545    H    GLN  74           H        GLN  74  10.456  -3.111   0.573
  546    HA   GLN  74           HA       GLN  74  10.264  -0.845   2.240
  547   1HB   GLN  74          2HB       GLN  74  12.104  -3.244   2.300
  548   2HB   GLN  74          1HB       GLN  74  12.085  -2.013   3.559
  549   1HG   GLN  74          2HG       GLN  74   9.766  -3.761   2.762
  550   2HG   GLN  74          1HG       GLN  74  10.783  -3.968   4.186
  551   1HE2  GLN  74          1HE2      GLN  74   7.922  -2.722   3.089
  552   2HE2  GLN  74          2HE2      GLN  74   7.598  -1.604   4.364
  553    H    ARG  75           H        ARG  75  12.767  -2.006   0.040
  554    HA   ARG  75           HA       ARG  75  14.724  -0.088   0.735
  555   1HB   ARG  75          2HB       ARG  75  14.317  -1.939  -1.571
  556   2HB   ARG  75          1HB       ARG  75  15.508  -0.654  -1.719
  557   1HG   ARG  75          2HG       ARG  75  16.534  -2.727  -0.987
  558   2HG   ARG  75          1HG       ARG  75  16.669  -1.480   0.253
  559   1HD   ARG  75          2HD       ARG  75  14.726  -2.460   1.411
  560   2HD   ARG  75          1HD       ARG  75  14.668  -3.738   0.200
  561    HE   ARG  75           HE       ARG  75  17.231  -3.746   1.253
  562   1HH1  ARG  75          1HH1      ARG  75  13.977  -4.244   2.400
  563   2HH1  ARG  75          2HH1      ARG  75  14.447  -5.365   3.633
  564   1HH2  ARG  75          1HH2      ARG  75  17.856  -5.224   2.876
  565   2HH2  ARG  75          2HH2      ARG  75  16.649  -5.921   3.904
  566    H    ILE  76           H        ILE  76  11.873   0.090  -1.203
  567    HA   ILE  76           HA       ILE  76  12.602   2.249  -2.880
  568    HB   ILE  76           HB       ILE  76   9.856   1.553  -1.807
  569   1HG1  ILE  76          2HG1      ILE  76  11.195   0.769  -4.408
  570   2HG1  ILE  76          1HG1      ILE  76  10.921  -0.305  -3.039
  571   1HG2  ILE  76          1HG2      ILE  76   9.767   2.745  -4.378
  572   2HG2  ILE  76          2HG2      ILE  76  10.763   3.765  -3.342
  573   3HG2  ILE  76          3HG2      ILE  76   9.116   3.360  -2.859
  574   1HD1  ILE  76          1HD1      ILE  76   9.279  -0.643  -4.806
  575   2HD1  ILE  76          2HD1      ILE  76   8.777   1.043  -4.665
  576   3HD1  ILE  76          3HD1      ILE  76   8.520  -0.069  -3.322
  577    H    GLU  77           H        GLU  77  11.714   1.926   0.409
  578    HA   GLU  77           HA       GLU  77  10.987   4.615   0.949
  579   1HB   GLU  77          2HB       GLU  77  11.956   2.373   2.724
  580   2HB   GLU  77          1HB       GLU  77  11.401   3.923   3.325
  581   1HG   GLU  77          2HG       GLU  77   9.204   3.525   2.336
  582   2HG   GLU  77          1HG       GLU  77   9.766   1.965   1.739
  583    H    LEU  78           H        LEU  78  13.998   2.786   1.114
  584    HA   LEU  78           HA       LEU  78  15.512   4.950   2.237
  585   1HB   LEU  78          2HB       LEU  78  16.454   2.421   0.881
  586   2HB   LEU  78          1HB       LEU  78  17.455   3.512   1.819
  587    HG   LEU  78           HG       LEU  78  15.154   1.885   2.903
  588   1HD1  LEU  78          1HD1      LEU  78  17.440   0.806   2.171
  589   2HD1  LEU  78          2HD1      LEU  78  16.649   0.341   3.677
  590   3HD1  LEU  78          3HD1      LEU  78  17.991   1.485   3.702
  591   1HD2  LEU  78          1HD2      LEU  78  16.043   2.609   5.101
  592   2HD2  LEU  78          2HD2      LEU  78  15.390   3.936   4.140
  593   3HD2  LEU  78          3HD2      LEU  78  17.135   3.708   4.262
  594    H    GLN  79           H        GLN  79  14.905   3.650  -0.967
  595    HA   GLN  79           HA       GLN  79  16.875   5.213  -2.303
  596   1HB   GLN  79          2HB       GLN  79  14.398   3.906  -3.436
  597   2HB   GLN  79          1HB       GLN  79  15.782   4.479  -4.357
  598   1HG   GLN  79          2HG       GLN  79  17.199   2.828  -3.203
  599   2HG   GLN  79          1HG       GLN  79  15.779   2.237  -2.353
  600   1HE2  GLN  79          1HE2      GLN  79  14.669   3.109  -5.294
  601   2HE2  GLN  79          2HE2      GLN  79  14.823   1.608  -6.131
  602    H    GLN  80           H        GLN  80  14.004   6.077  -0.839
  603    HA   GLN  80           HA       GLN  80  13.626   8.373  -2.635
  604   1HB   GLN  80          2HB       GLN  80  11.676   6.860  -2.387
  605   2HB   GLN  80          1HB       GLN  80  11.697   7.140  -0.653
  606   1HG   GLN  80          2HG       GLN  80   9.972   8.438  -1.782
  607   2HG   GLN  80          1HG       GLN  80  11.161   9.468  -0.988
  608   1HE2  GLN  80          1HE2      GLN  80   9.487   8.869  -3.791
  609   2HE2  GLN  80          2HE2      GLN  80  10.397   9.865  -4.872
  610    H    GLY  81           H        GLY  81  15.368   7.664  -0.121
  611   1HA   GLY  81          2HA       GLY  81  16.263   8.835   1.637
  612   2HA   GLY  81          1HA       GLY  81  15.611  10.279   0.869
  613    H    ARG  82           H        ARG  82  14.827   7.597   3.033
  614    HA   ARG  82           HA       ARG  82  12.273   8.374   3.785
  615   1HB   ARG  82          2HB       ARG  82  14.257   6.555   4.774
  616   2HB   ARG  82          1HB       ARG  82  13.527   7.410   6.123
  617   1HG   ARG  82          2HG       ARG  82  12.183   5.656   4.091
  618   2HG   ARG  82          1HG       ARG  82  12.296   5.443   5.830
  619   1HD   ARG  82          2HD       ARG  82  10.069   6.126   5.285
  620   2HD   ARG  82          1HD       ARG  82  10.870   7.428   6.152
  621    HE   ARG  82           HE       ARG  82  10.492   8.743   4.332
  622   1HH1  ARG  82          1HH1      ARG  82  10.504   5.422   3.301
  623   2HH1  ARG  82          2HH1      ARG  82  10.202   5.799   1.638
  624   1HH2  ARG  82          1HH2      ARG  82  10.106   9.252   2.129
  625   2HH2  ARG  82          2HH2      ARG  82   9.975   7.971   0.973
  626    H    VAL  83           H        VAL  83  11.779   9.001   6.108
  627    HA   VAL  83           HA       VAL  83  13.464  11.156   7.118
  628    HB   VAL  83           HB       VAL  83  10.539  11.578   6.509
  629   1HG1  VAL  83          1HG1      VAL  83  11.926  14.004   6.799
  630   2HG1  VAL  83          2HG1      VAL  83  12.457  12.962   8.122
  631   3HG1  VAL  83          3HG1      VAL  83  10.739  13.298   7.897
  632   1HG2  VAL  83          1HG2      VAL  83  12.003  11.359   4.459
  633   2HG2  VAL  83          2HG2      VAL  83  12.854  12.801   5.015
  634   3HG2  VAL  83          3HG2      VAL  83  11.139  12.892   4.619
  635    H    ARG  84           H        ARG  84  13.777   9.717   8.826
  636    HA   ARG  84           HA       ARG  84  11.659   8.525  10.271
  637   1HB   ARG  84          2HB       ARG  84  14.553   8.923  11.013
  638   2HB   ARG  84          1HB       ARG  84  13.426   7.858  11.845
  639   1HG   ARG  84          2HG       ARG  84  13.221   6.449   9.946
  640   2HG   ARG  84          1HG       ARG  84  14.086   7.597   8.924
  641   1HD   ARG  84          2HD       ARG  84  15.518   5.734   9.537
  642   2HD   ARG  84          1HD       ARG  84  16.112   7.242  10.235
  643    HE   ARG  84           HE       ARG  84  14.467   5.995  12.121
  644   1HH1  ARG  84          1HH1      ARG  84  17.527   5.488  10.535
  645   2HH1  ARG  84          2HH1      ARG  84  18.214   4.609  11.860
  646   1HH2  ARG  84          1HH2      ARG  84  15.363   4.839  13.869
  647   2HH2  ARG  84          2HH2      ARG  84  16.985   4.239  13.756
  648    H    LYS  85           H        LYS  85  10.557   9.096  11.932
  649    HA   LYS  85           HA       LYS  85  11.374  11.194  13.747
  650   1HB   LYS  85          2HB       LYS  85   8.810  11.357  12.150
  651   2HB   LYS  85          1HB       LYS  85   9.134  12.320  13.584
  652   1HG   LYS  85          2HG       LYS  85  11.081  13.308  12.435
  653   2HG   LYS  85          1HG       LYS  85  10.659  12.392  10.988
  654   1HD   LYS  85          2HD       LYS  85   8.480  13.527  10.920
  655   2HD   LYS  85          1HD       LYS  85   8.931  14.460  12.351
  656   1HE   LYS  85          2HE       LYS  85  10.288  14.521   9.656
  657   2HE   LYS  85          1HE       LYS  85   9.273  15.785  10.350
  658   1HZ   LYS  85          1HZ       LYS  85  12.042  15.296  10.739
  659   2HZ   LYS  85          2HZ       LYS  85  11.230  15.296  12.223
  660   3HZ   LYS  85          3HZ       LYS  85  11.119  16.636  11.198
  661    H    ALA  86           H        ALA  86   8.272   9.676  13.020
  662    HA   ALA  86           HA       ALA  86   8.545   7.896  15.309
  663   1HB   ALA  86          1HB       ALA  86   6.608  10.143  15.139
  664   2HB   ALA  86          2HB       ALA  86   7.400   9.434  16.548
  665   3HB   ALA  86          3HB       ALA  86   6.029   8.614  15.800
  666    H    GLU  87           H        GLU  87   8.247   5.971  14.347
  667    HA   GLU  87           HA       GLU  87   5.951   5.695  12.523
  668   1HB   GLU  87          2HB       GLU  87   8.070   5.667  11.263
  669   2HB   GLU  87          1HB       GLU  87   8.626   4.315  12.240
  670   1HG   GLU  87          2HG       GLU  87   6.810   2.936  11.380
  671   2HG   GLU  87          1HG       GLU  87   6.231   4.291  10.417
  672    H    ARG  88           H        ARG  88   4.808   5.002  14.515
  673    HA   ARG  88           HA       ARG  88   5.593   2.300  15.374
  674   1HB   ARG  88          2HB       ARG  88   5.186   4.236  17.040
  675   2HB   ARG  88          1HB       ARG  88   3.482   3.998  16.689
  676   1HG   ARG  88          2HG       ARG  88   5.307   1.838  17.722
  677   2HG   ARG  88          1HG       ARG  88   4.288   2.852  18.742
  678   1HD   ARG  88          2HD       ARG  88   2.299   2.011  17.620
  679   2HD   ARG  88          1HD       ARG  88   3.300   1.044  16.537
  680    HE   ARG  88           HE       ARG  88   3.917   0.345  19.175
  681   1HH1  ARG  88          1HH1      ARG  88   1.267   0.116  16.922
  682   2HH1  ARG  88          2HH1      ARG  88   0.638  -1.342  17.616
  683   1HH2  ARG  88          1HH2      ARG  88   3.092  -1.571  20.093
  684   2HH2  ARG  88          2HH2      ARG  88   1.674  -2.300  19.417
  685    H    TRP  89           H        TRP  89   2.605   4.133  14.724
  686    HA   TRP  89           HA       TRP  89   1.478   1.702  13.501
  687   1HB   TRP  89          2HB       TRP  89   0.453   2.223  15.704
  688   2HB   TRP  89          1HB       TRP  89  -0.022   3.800  15.090
  689    HD1  TRP  89           HD       TRP  89  -0.487   0.270  13.520
  690    HE1  TRP  89           1HE      TRP  89  -2.980  -0.007  12.942
  691    HE3  TRP  89           3HE      TRP  89  -2.235   4.729  15.312
  692    HZ2  TRP  89           2HZ      TRP  89  -5.371   1.471  13.208
  693    HZ3  TRP  89           3HZ      TRP  89  -4.637   5.220  15.112
  694    HH2  TRP  89           HH       TRP  89  -6.172   3.624  14.080
  695    H    GLY  90           H        GLY  90   2.616   4.692  12.857
  696   1HA   GLY  90          2HA       GLY  90   0.570   5.351  10.885
  697   2HA   GLY  90          1HA       GLY  90   1.770   6.452  11.496
  698    HA   PRO  91           HA       PRO  91   3.344   4.880   7.460
  699   1HB   PRO  91          2HB       PRO  91   2.957   7.123   5.974
  700   2HB   PRO  91          1HB       PRO  91   1.739   5.859   6.153
  701   1HG   PRO  91          2HG       PRO  91   1.771   8.572   7.240
  702   2HG   PRO  91          1HG       PRO  91   0.417   7.444   7.085
  703   1HD   PRO  91          2HD       PRO  91   1.992   8.071   9.425
  704   2HD   PRO  91          1HD       PRO  91   0.556   7.039   9.301
  705    H    ARG  92           H        ARG  92   3.610   8.381   7.950
  706    HA   ARG  92           HA       ARG  92   5.335   9.767   8.335
  707   1HB   ARG  92          2HB       ARG  92   5.921   8.457  10.230
  708   2HB   ARG  92          1HB       ARG  92   6.647   7.209   9.229
  709   1HG   ARG  92          2HG       ARG  92   7.851   9.847   8.887
  710   2HG   ARG  92          1HG       ARG  92   8.006   9.183  10.515
  711   1HD   ARG  92          2HD       ARG  92   8.520   7.280   8.350
  712   2HD   ARG  92          1HD       ARG  92   9.657   8.615   8.445
  713    HE   ARG  92           HE       ARG  92   9.330   7.580  11.016
  714   1HH1  ARG  92          1HH1      ARG  92  10.615   6.588   7.933
  715   2HH1  ARG  92          2HH1      ARG  92  11.775   5.500   8.621
  716   1HH2  ARG  92          1HH2      ARG  92  10.852   6.149  11.929
  717   2HH2  ARG  92          2HH2      ARG  92  11.907   5.250  10.892
  718    H    THR  93           H        THR  93   5.416  10.322   6.171
  719    HA   THR  93           HA       THR  93   6.555  10.938   4.321
  720    HB   THR  93           HB       THR  93   8.748   9.009   5.080
  721    HG1  THR  93           1HG      THR  93   7.917  11.091   6.472
  722   1HG2  THR  93          1HG2      THR  93   8.508  10.531   2.844
  723   2HG2  THR  93          2HG2      THR  93  10.035  10.004   3.553
  724   3HG2  THR  93          3HG2      THR  93   9.400  11.608   3.918
  725    H    LEU  94           H        LEU  94   6.979   7.475   4.980
  726    HA   LEU  94           HA       LEU  94   5.326   6.820   2.770
  727   1HB   LEU  94          2HB       LEU  94   7.219   7.237   1.420
  728   2HB   LEU  94          1HB       LEU  94   8.297   6.435   2.544
  729    HG   LEU  94           HG       LEU  94   7.320   4.263   1.944
  730   1HD1  LEU  94          1HD1      LEU  94   5.112   5.524   1.214
  731   2HD1  LEU  94          2HD1      LEU  94   5.569   3.968   0.521
  732   3HD1  LEU  94          3HD1      LEU  94   5.893   5.457  -0.367
  733   1HD2  LEU  94          1HD2      LEU  94   7.885   4.945  -0.740
  734   2HD2  LEU  94          2HD2      LEU  94   8.953   4.196   0.449
  735   3HD2  LEU  94          3HD2      LEU  94   8.904   5.951   0.289
  736    H    ASP  95           H        ASP  95   4.581   4.750   2.821
  737    HA   ASP  95           HA       ASP  95   5.809   2.729   4.473
  738   1HB   ASP  95          2HB       ASP  95   4.572   3.998   6.164
  739   2HB   ASP  95          1HB       ASP  95   3.098   3.862   5.212
  740    H    LEU  96           H        LEU  96   5.876   1.596   2.536
  741    HA   LEU  96           HA       LEU  96   3.301   0.857   1.356
  742   1HB   LEU  96          2HB       LEU  96   4.477   0.212  -0.624
  743   2HB   LEU  96          1HB       LEU  96   5.017   1.803  -0.161
  744    HG   LEU  96           HG       LEU  96   6.547  -0.775   0.114
  745   1HD1  LEU  96          1HD1      LEU  96   8.102   0.367  -1.410
  746   2HD1  LEU  96          2HD1      LEU  96   6.989   1.732  -1.503
  747   3HD1  LEU  96          3HD1      LEU  96   6.503   0.152  -2.122
  748   1HD2  LEU  96          1HD2      LEU  96   7.106   0.476   2.056
  749   2HD2  LEU  96          2HD2      LEU  96   7.190   1.983   1.142
  750   3HD2  LEU  96          3HD2      LEU  96   8.407   0.730   0.894
  751    H    ASP  97           H        ASP  97   2.434  -0.925   2.097
  752    HA   ASP  97           HA       ASP  97   4.163  -3.194   2.776
  753   1HB   ASP  97          2HB       ASP  97   1.697  -2.214   4.183
  754   2HB   ASP  97          1HB       ASP  97   2.391  -3.800   4.465
  755    H    ILE  98           H        ILE  98   3.402  -5.277   2.318
  756    HA   ILE  98           HA       ILE  98   1.777  -5.512   0.011
  757    HB   ILE  98           HB       ILE  98   3.153  -7.481   1.820
  758   1HG1  ILE  98          2HG1      ILE  98   3.201  -7.059  -1.171
  759   2HG1  ILE  98          1HG1      ILE  98   4.358  -6.427  -0.033
  760   1HG2  ILE  98          1HG2      ILE  98   0.808  -8.074   0.099
  761   2HG2  ILE  98          2HG2      ILE  98   1.357  -8.863   1.577
  762   3HG2  ILE  98          3HG2      ILE  98   2.162  -9.203   0.044
  763   1HD1  ILE  98          1HD1      ILE  98   5.541  -8.284  -0.165
  764   2HD1  ILE  98          2HD1      ILE  98   4.418  -8.867  -1.391
  765   3HD1  ILE  98          3HD1      ILE  98   4.140  -9.248   0.307
  766    H    MET  99           H        MET  99  -0.129  -4.477   0.639
  767    HA   MET  99           HA       MET  99  -1.725  -5.370   2.827
  768   1HB   MET  99          2HB       MET  99  -2.501  -3.717   0.416
  769   2HB   MET  99          1HB       MET  99  -3.446  -3.895   1.889
  770   1HG   MET  99          2HG       MET  99  -0.725  -2.627   1.667
  771   2HG   MET  99          1HG       MET  99  -2.261  -1.781   1.853
  772   1HE   MET  99          1HE       MET  99  -1.065  -0.489   3.701
  773   2HE   MET  99          2HE       MET  99   0.388  -1.453   3.963
  774   3HE   MET  99          3HE       MET  99  -0.700  -1.111   5.310
  775    H    LEU 100           H        LEU 100  -1.153  -6.552  -0.304
  776    HA   LEU 100           HA       LEU 100  -2.968  -8.715   0.039
  777   1HB   LEU 100          2HB       LEU 100  -3.930  -6.346  -1.358
  778   2HB   LEU 100          1HB       LEU 100  -4.045  -7.784  -2.351
  779    HG   LEU 100           HG       LEU 100  -5.250  -7.456   0.405
  780   1HD1  LEU 100          1HD1      LEU 100  -6.796  -7.732  -2.137
  781   2HD1  LEU 100          2HD1      LEU 100  -6.205  -6.152  -1.624
  782   3HD1  LEU 100          3HD1      LEU 100  -7.300  -7.065  -0.584
  783   1HD2  LEU 100          1HD2      LEU 100  -5.936  -9.611   0.335
  784   2HD2  LEU 100          2HD2      LEU 100  -4.505  -9.793  -0.680
  785   3HD2  LEU 100          3HD2      LEU 100  -6.094  -9.618  -1.422
  786    H    PHE 101           H        PHE 101  -1.422 -10.141  -0.548
  787    HA   PHE 101           HA       PHE 101  -0.293  -9.832  -3.252
  788   1HB   PHE 101          2HB       PHE 101   1.383  -9.677  -1.397
  789   2HB   PHE 101          1HB       PHE 101   0.976 -11.327  -0.952
  790    HD1  PHE 101           1HD      PHE 101   2.182 -13.066  -1.865
  791    HD2  PHE 101           2HD      PHE 101   2.075  -9.326  -3.889
  792    HE1  PHE 101           1HE      PHE 101   3.809 -13.911  -3.509
  793    HE2  PHE 101           2HE      PHE 101   3.700 -10.163  -5.536
  794    HZ   PHE 101           HZ       PHE 101   4.568 -12.459  -5.349
  795    H    GLY 102           H        GLY 102  -2.086 -10.933  -4.153
  796   1HA   GLY 102          2HA       GLY 102  -3.090 -12.794  -5.036
  797   2HA   GLY 102          1HA       GLY 102  -1.693 -13.702  -4.479
  798    H    ASN 103           H        ASN 103  -2.417 -15.425  -3.427
  799    HA   ASN 103           HA       ASN 103  -4.561 -15.058  -1.424
  800   1HB   ASN 103          2HB       ASN 103  -5.179 -17.409  -1.848
  801   2HB   ASN 103          1HB       ASN 103  -5.329 -16.420  -3.299
  802   1HD2  ASN 103          1HD2      ASN 103  -3.843 -19.117  -1.854
  803   2HD2  ASN 103          2HD2      ASN 103  -2.843 -19.577  -3.185
  804    H    GLU 104           H        GLU 104  -1.316 -15.559  -1.722
  805    HA   GLU 104           HA       GLU 104  -0.886 -17.731   0.020
  806   1HB   GLU 104          2HB       GLU 104   1.393 -16.969   0.212
  807   2HB   GLU 104          1HB       GLU 104   0.855 -16.897  -1.446
  808   1HG   GLU 104          2HG       GLU 104   1.909 -14.888  -1.323
  809   2HG   GLU 104          1HG       GLU 104   0.308 -14.393  -0.787
  810    H    VAL 105           H        VAL 105   0.345 -17.487   2.073
  811    HA   VAL 105           HA       VAL 105  -0.508 -15.266   3.743
  812    HB   VAL 105           HB       VAL 105  -1.363 -18.117   4.093
  813   1HG1  VAL 105          1HG1      VAL 105  -0.939 -17.934   6.300
  814   2HG1  VAL 105          2HG1      VAL 105  -2.287 -16.797   6.340
  815   3HG1  VAL 105          3HG1      VAL 105  -0.634 -16.201   6.179
  816   1HG2  VAL 105          1HG2      VAL 105  -3.177 -17.181   3.163
  817   2HG2  VAL 105          2HG2      VAL 105  -2.658 -15.543   3.563
  818   3HG2  VAL 105          3HG2      VAL 105  -3.464 -16.535   4.779
  819    H    ILE 106           H        ILE 106   1.610 -14.709   4.103
  820    HA   ILE 106           HA       ILE 106   3.138 -16.561   5.782
  821    HB   ILE 106           HB       ILE 106   4.332 -15.032   3.464
  822   1HG1  ILE 106          2HG1      ILE 106   4.001 -18.014   3.877
  823   2HG1  ILE 106          1HG1      ILE 106   3.044 -17.031   2.775
  824   1HG2  ILE 106          1HG2      ILE 106   5.516 -16.597   5.716
  825   2HG2  ILE 106          2HG2      ILE 106   6.020 -15.050   5.038
  826   3HG2  ILE 106          3HG2      ILE 106   6.338 -16.542   4.155
  827   1HD1  ILE 106          1HD1      ILE 106   5.273 -18.424   2.101
  828   2HD1  ILE 106          2HD1      ILE 106   5.928 -16.810   2.371
  829   3HD1  ILE 106          3HD1      ILE 106   4.628 -17.050   1.203
  830    H    ASN 107           H        ASN 107   3.784 -15.601   7.584
  831    HA   ASN 107           HA       ASN 107   3.920 -12.658   7.638
  832   1HB   ASN 107          2HB       ASN 107   3.386 -14.603   9.898
  833   2HB   ASN 107          1HB       ASN 107   3.522 -12.859  10.082
  834   1HD2  ASN 107          1HD2      ASN 107   2.087 -13.287   7.172
  835   2HD2  ASN 107          2HD2      ASN 107   0.431 -13.227   7.650
  836    H    THR 108           H        THR 108   5.976 -12.064   7.392
  837    HA   THR 108           HA       THR 108   8.053 -13.649   8.732
  838    HB   THR 108           HB       THR 108   9.635 -12.452   7.229
  839    HG1  THR 108           1HG      THR 108   8.113 -11.534   5.372
  840   1HG2  THR 108          1HG2      THR 108   9.345 -14.229   5.952
  841   2HG2  THR 108          2HG2      THR 108   8.128 -13.313   5.061
  842   3HG2  THR 108          3HG2      THR 108   7.643 -14.351   6.403
  843    H    GLU 109           H        GLU 109   9.087 -10.541   7.868
  844    HA   GLU 109           HA       GLU 109   8.669  -9.531  10.600
  845   1HB   GLU 109          2HB       GLU 109  11.259  -9.424   9.043
  846   2HB   GLU 109          1HB       GLU 109  10.977  -8.659  10.599
  847   1HG   GLU 109          2HG       GLU 109  10.632 -10.841  11.622
  848   2HG   GLU 109          1HG       GLU 109  10.888 -11.618  10.061
  849    H    ARG 110           H        ARG 110  10.123  -8.496   7.512
  850    HA   ARG 110           HA       ARG 110   8.952  -5.853   7.856
  851   1HB   ARG 110          2HB       ARG 110  10.691  -6.879   5.602
  852   2HB   ARG 110          1HB       ARG 110  10.292  -5.201   5.941
  853   1HG   ARG 110          2HG       ARG 110  11.974  -7.027   7.644
  854   2HG   ARG 110          1HG       ARG 110  12.538  -5.671   6.667
  855   1HD   ARG 110          2HD       ARG 110  10.712  -5.517   9.063
  856   2HD   ARG 110          1HD       ARG 110  12.409  -5.046   9.013
  857    HE   ARG 110           HE       ARG 110  11.047  -3.599   7.050
  858   1HH1  ARG 110          1HH1      ARG 110  11.169  -3.874  10.520
  859   2HH1  ARG 110          2HH1      ARG 110  10.706  -2.230  10.797
  860   1HH2  ARG 110          1HH2      ARG 110  10.434  -1.428   7.404
  861   2HH2  ARG 110          2HH2      ARG 110  10.287  -0.839   9.026
  862    H    LEU 111           H        LEU 111   8.169  -8.797   6.481
  863    HA   LEU 111           HA       LEU 111   6.359  -7.569   4.519
  864   1HB   LEU 111          2HB       LEU 111   7.754  -9.164   3.425
  865   2HB   LEU 111          1HB       LEU 111   7.545 -10.316   4.711
  866    HG   LEU 111           HG       LEU 111   6.370 -10.785   2.508
  867   1HD1  LEU 111          1HD1      LEU 111   4.117 -11.146   4.047
  868   2HD1  LEU 111          2HD1      LEU 111   5.432 -11.129   5.221
  869   3HD1  LEU 111          3HD1      LEU 111   5.464 -12.271   3.879
  870   1HD2  LEU 111          1HD2      LEU 111   4.023  -9.280   3.310
  871   2HD2  LEU 111          2HD2      LEU 111   4.764  -9.471   1.721
  872   3HD2  LEU 111          3HD2      LEU 111   5.376  -8.250   2.836
  873    H    THR 112           H        THR 112   4.237  -7.852   4.618
  874    HA   THR 112           HA       THR 112   3.068  -9.716   6.516
  875    HB   THR 112           HB       THR 112   1.384  -7.768   7.006
  876    HG1  THR 112           1HG      THR 112   3.711  -6.392   6.200
  877   1HG2  THR 112          1HG2      THR 112   2.195  -7.804   9.056
  878   2HG2  THR 112          2HG2      THR 112   3.685  -7.009   8.545
  879   3HG2  THR 112          3HG2      THR 112   3.542  -8.764   8.442
  880    H    VAL 113           H        VAL 113   1.365 -10.747   5.592
  881    HA   VAL 113           HA       VAL 113   0.540  -9.892   2.942
  882    HB   VAL 113           HB       VAL 113   0.867 -12.372   4.056
  883   1HG1  VAL 113          1HG1      VAL 113  -2.104 -11.896   4.051
  884   2HG1  VAL 113          2HG1      VAL 113  -1.100 -12.145   5.480
  885   3HG1  VAL 113          3HG1      VAL 113  -1.295 -13.443   4.301
  886   1HG2  VAL 113          1HG2      VAL 113   0.265 -11.390   1.598
  887   2HG2  VAL 113          2HG2      VAL 113  -1.134 -12.410   1.933
  888   3HG2  VAL 113          3HG2      VAL 113   0.490 -13.095   1.989
  889    HA   PRO 114           HA       PRO 114  -3.524  -7.937   3.549
  890   1HB   PRO 114          2HB       PRO 114  -4.614 -10.625   4.342
  891   2HB   PRO 114          1HB       PRO 114  -5.397  -9.330   3.427
  892   1HG   PRO 114          2HG       PRO 114  -4.097 -11.496   2.286
  893   2HG   PRO 114          1HG       PRO 114  -4.410  -9.958   1.469
  894   1HD   PRO 114          2HD       PRO 114  -1.879 -11.050   2.148
  895   2HD   PRO 114          1HD       PRO 114  -2.198  -9.428   1.506
  896    H    HIS 115           H        HIS 115  -2.478  -6.913   5.291
  897    HA   HIS 115           HA       HIS 115  -2.496  -8.022   7.930
  898   1HB   HIS 115          2HB       HIS 115  -0.713  -6.513   7.136
  899   2HB   HIS 115          1HB       HIS 115  -1.891  -5.227   6.939
  900    HD1  HIS 115           1HD      HIS 115  -0.991  -7.508   9.864
  901    HD2  HIS 115           2HD      HIS 115  -1.604  -3.497   8.966
  902    HE1  HIS 115           1HE      HIS 115  -0.656  -6.273  12.030
  903    HE2  HIS 115           2HE      HIS 115  -0.963  -3.842  11.448
  904    H    TYR 116           H        TYR 116  -4.301  -8.146   9.083
  905    HA   TYR 116           HA       TYR 116  -6.706  -6.915   8.572
  906   1HB   TYR 116          2HB       TYR 116  -7.010  -7.177  11.188
  907   2HB   TYR 116          1HB       TYR 116  -6.956  -8.578  10.132
  908    HD1  TYR 116           1HD      TYR 116  -4.089  -6.525  11.269
  909    HD2  TYR 116           2HD      TYR 116  -6.121 -10.249  11.619
  910    HE1  TYR 116           1HE      TYR 116  -2.217  -7.420  12.587
  911    HE2  TYR 116           2HE      TYR 116  -4.252 -11.149  12.935
  912    HH   TYR 116           HH       TYR 116  -1.745  -9.164  14.172
  913    H    ASP 117           H        ASP 117  -6.473  -4.784   7.992
  914    HA   ASP 117           HA       ASP 117  -6.672  -2.848  10.043
  915   1HB   ASP 117          2HB       ASP 117  -4.151  -3.445   9.972
  916   2HB   ASP 117          1HB       ASP 117  -4.141  -2.593   8.434
  917    H    MET 118           H        MET 118  -5.980  -3.657   6.721
  918    HA   MET 118           HA       MET 118  -6.734  -1.079   5.676
  919   1HB   MET 118          2HB       MET 118  -6.130  -1.947   3.575
  920   2HB   MET 118          1HB       MET 118  -4.987  -2.650   4.708
  921   1HG   MET 118          2HG       MET 118  -7.439  -4.030   3.639
  922   2HG   MET 118          1HG       MET 118  -5.804  -4.240   3.013
  923   1HE   MET 118          1HE       MET 118  -6.330  -6.605   3.124
  924   2HE   MET 118          2HE       MET 118  -7.587  -6.985   4.299
  925   3HE   MET 118          3HE       MET 118  -5.956  -7.619   4.518
  926    H    LYS 119           H        LYS 119  -8.182  -4.242   5.981
  927    HA   LYS 119           HA       LYS 119 -10.394  -3.716   4.263
  928   1HB   LYS 119          2HB       LYS 119 -11.260  -5.862   5.433
  929   2HB   LYS 119          1HB       LYS 119  -9.851  -5.950   4.380
  930   1HG   LYS 119          2HG       LYS 119  -8.458  -5.663   6.482
  931   2HG   LYS 119          1HG       LYS 119  -9.940  -6.000   7.377
  932   1HD   LYS 119          2HD       LYS 119  -8.637  -7.810   5.340
  933   2HD   LYS 119          1HD       LYS 119  -8.612  -8.029   7.088
  934   1HE   LYS 119          2HE       LYS 119 -11.022  -8.325   7.106
  935   2HE   LYS 119          1HE       LYS 119 -11.093  -8.026   5.371
  936   1HZ   LYS 119          1HZ       LYS 119  -9.405 -10.198   6.418
  937   2HZ   LYS 119          2HZ       LYS 119 -10.137 -10.050   4.902
  938   3HZ   LYS 119          3HZ       LYS 119 -11.072 -10.439   6.255
  939    H    ASN 120           H        ASN 120  -9.800  -2.125   6.891
  940    HA   ASN 120           HA       ASN 120 -12.635  -1.934   7.611
  941   1HB   ASN 120          2HB       ASN 120 -12.093  -1.638   9.969
  942   2HB   ASN 120          1HB       ASN 120 -11.477  -3.184   9.404
  943   1HD2  ASN 120          1HD2      ASN 120  -9.696  -3.609  10.441
  944   2HD2  ASN 120          2HD2      ASN 120  -8.393  -2.516  10.733
  945    H    ARG 121           H        ARG 121 -10.660  -0.500   5.887
  946    HA   ARG 121           HA       ARG 121 -11.157   2.198   6.936
  947   1HB   ARG 121          2HB       ARG 121  -8.585   1.277   5.632
  948   2HB   ARG 121          1HB       ARG 121  -8.940   2.911   6.175
  949   1HG   ARG 121          2HG       ARG 121  -8.839   0.519   7.997
  950   2HG   ARG 121          1HG       ARG 121  -7.476   1.601   7.708
  951   1HD   ARG 121          2HD       ARG 121 -10.150   2.325   8.905
  952   2HD   ARG 121          1HD       ARG 121  -8.606   2.234   9.750
  953    HE   ARG 121           HE       ARG 121  -8.384   4.066   7.637
  954   1HH1  ARG 121          1HH1      ARG 121  -9.955   3.713  10.726
  955   2HH1  ARG 121          2HH1      ARG 121 -10.024   5.416  11.030
  956   1HH2  ARG 121          1HH2      ARG 121  -8.477   6.308   8.024
  957   2HH2  ARG 121          2HH2      ARG 121  -9.185   6.893   9.493
  958    H    GLY 122           H        GLY 122  -9.396   2.904   4.410
  959   1HA   GLY 122          2HA       GLY 122 -11.090   2.141   2.209
  960   2HA   GLY 122          1HA       GLY 122 -11.326   3.801   2.713
  961    H    PHE 123           H        PHE 123  -8.394   3.967   3.470
  962    HA   PHE 123           HA       PHE 123  -7.517   4.917   0.936
  963   1HB   PHE 123          2HB       PHE 123  -5.269   5.140   2.266
  964   2HB   PHE 123          1HB       PHE 123  -6.625   6.202   2.622
  965    HD1  PHE 123           1HD      PHE 123  -5.775   2.717   3.675
  966    HD2  PHE 123           2HD      PHE 123  -6.658   6.710   4.845
  967    HE1  PHE 123           1HE      PHE 123  -5.689   2.040   6.038
  968    HE2  PHE 123           2HE      PHE 123  -6.573   6.041   7.211
  969    HZ   PHE 123           HZ       PHE 123  -6.086   3.702   7.810
  970    H    MET 124           H        MET 124  -7.204   1.934   2.624
  971    HA   MET 124           HA       MET 124  -5.049   1.019   0.891
  972   1HB   MET 124          2HB       MET 124  -6.539  -0.429   3.094
  973   2HB   MET 124          1HB       MET 124  -5.154  -1.058   2.214
  974   1HG   MET 124          2HG       MET 124  -5.179   1.341   4.021
  975   2HG   MET 124          1HG       MET 124  -4.474  -0.233   4.368
  976   1HE   MET 124          1HE       MET 124  -1.734   0.987   4.785
  977   2HE   MET 124          2HE       MET 124  -3.060   2.138   4.959
  978   3HE   MET 124          3HE       MET 124  -1.668   2.543   3.956
  979    H    LEU 125           H        LEU 125  -8.481   0.497   1.438
  980    HA   LEU 125           HA       LEU 125  -8.695  -1.652  -0.474
  981   1HB   LEU 125          2HB       LEU 125 -10.870  -0.041   0.855
  982   2HB   LEU 125          1HB       LEU 125 -11.075  -1.561   0.010
  983    HG   LEU 125           HG       LEU 125  -9.529  -1.182   2.567
  984   1HD1  LEU 125          1HD1      LEU 125 -11.378  -2.508   3.549
  985   2HD1  LEU 125          2HD1      LEU 125 -12.249  -2.337   2.025
  986   3HD1  LEU 125          3HD1      LEU 125 -11.863  -0.908   2.986
  987   1HD2  LEU 125          1HD2      LEU 125  -8.579  -3.134   2.092
  988   2HD2  LEU 125          2HD2      LEU 125  -9.538  -3.296   0.620
  989   3HD2  LEU 125          3HD2      LEU 125 -10.178  -3.872   2.160
  990    H    TRP 126           H        TRP 126 -10.104   1.619  -0.327
  991    HA   TRP 126           HA       TRP 126 -11.391   1.681  -2.719
  992   1HB   TRP 126          2HB       TRP 126 -11.588   3.431  -1.064
  993   2HB   TRP 126          1HB       TRP 126  -9.933   3.937  -1.349
  994    HD1  TRP 126           HD       TRP 126 -10.464   6.345  -2.081
  995    HE1  TRP 126           1HE      TRP 126 -11.612   7.388  -4.140
  996    HE3  TRP 126           3HE      TRP 126 -12.572   2.128  -4.067
  997    HZ2  TRP 126           2HZ      TRP 126 -13.201   6.537  -6.311
  998    HZ3  TRP 126           3HZ      TRP 126 -13.892   2.331  -6.134
  999    HH2  TRP 126           HH       TRP 126 -14.202   4.490  -7.230
 1000    HA   PRO 127           HA       PRO 127  -7.526   3.378  -5.148
 1001   1HB   PRO 127          2HB       PRO 127  -5.303   2.459  -3.411
 1002   2HB   PRO 127          1HB       PRO 127  -5.474   3.964  -4.318
 1003   1HG   PRO 127          2HG       PRO 127  -5.732   3.954  -1.677
 1004   2HG   PRO 127          1HG       PRO 127  -6.797   4.953  -2.689
 1005   1HD   PRO 127          2HD       PRO 127  -7.369   2.312  -1.373
 1006   2HD   PRO 127          1HD       PRO 127  -8.405   3.758  -1.489
 1007    H    LEU 128           H        LEU 128  -6.716   0.557  -3.130
 1008    HA   LEU 128           HA       LEU 128  -5.459  -1.036  -5.041
 1009   1HB   LEU 128          2HB       LEU 128  -6.247  -1.274  -2.398
 1010   2HB   LEU 128          1HB       LEU 128  -7.187  -2.498  -3.218
 1011    HG   LEU 128           HG       LEU 128  -5.064  -3.451  -4.097
 1012   1HD1  LEU 128          1HD1      LEU 128  -3.111  -2.699  -2.451
 1013   2HD1  LEU 128          2HD1      LEU 128  -3.992  -1.173  -2.527
 1014   3HD1  LEU 128          3HD1      LEU 128  -3.382  -1.912  -4.006
 1015   1HD2  LEU 128          1HD2      LEU 128  -5.856  -3.325  -1.235
 1016   2HD2  LEU 128          2HD2      LEU 128  -4.341  -4.133  -1.643
 1017   3HD2  LEU 128          3HD2      LEU 128  -5.856  -4.692  -2.353
 1018    H    PHE 129           H        PHE 129  -8.830  -0.590  -4.279
 1019    HA   PHE 129           HA       PHE 129 -10.031  -2.674  -5.680
 1020   1HB   PHE 129          2HB       PHE 129 -11.296  -1.267  -4.177
 1021   2HB   PHE 129          1HB       PHE 129 -10.975   0.162  -5.149
 1022    HD1  PHE 129           1HD      PHE 129 -12.581   0.873  -6.642
 1023    HD2  PHE 129           2HD      PHE 129 -12.565  -3.196  -5.405
 1024    HE1  PHE 129           1HE      PHE 129 -14.677   0.495  -7.872
 1025    HE2  PHE 129           2HE      PHE 129 -14.661  -3.583  -6.634
 1026    HZ   PHE 129           HZ       PHE 129 -15.709  -1.718  -7.895
 1027    H    GLU 130           H        GLU 130  -8.270  -0.026  -6.891
 1028    HA   GLU 130           HA       GLU 130  -9.535  -0.196  -9.525
 1029   1HB   GLU 130          2HB       GLU 130  -9.332   2.051  -8.552
 1030   2HB   GLU 130          1HB       GLU 130  -7.589   1.848  -8.442
 1031   1HG   GLU 130          2HG       GLU 130  -7.436   1.712 -10.863
 1032   2HG   GLU 130          1HG       GLU 130  -9.187   1.866 -10.993
 1033    H    ILE 131           H        ILE 131  -6.523  -0.776  -7.825
 1034    HA   ILE 131           HA       ILE 131  -4.933  -1.071 -10.175
 1035    HB   ILE 131           HB       ILE 131  -3.193  -1.817  -8.782
 1036   1HG1  ILE 131          2HG1      ILE 131  -5.220  -2.439  -6.615
 1037   2HG1  ILE 131          1HG1      ILE 131  -4.468  -3.647  -7.646
 1038   1HG2  ILE 131          1HG2      ILE 131  -3.388  -0.288  -6.770
 1039   2HG2  ILE 131          2HG2      ILE 131  -5.014   0.083  -7.339
 1040   3HG2  ILE 131          3HG2      ILE 131  -3.620   0.455  -8.352
 1041   1HD1  ILE 131          1HD1      ILE 131  -2.393  -3.372  -6.650
 1042   2HD1  ILE 131          2HD1      ILE 131  -3.528  -3.286  -5.304
 1043   3HD1  ILE 131          3HD1      ILE 131  -2.826  -1.808  -5.962
 1044    H    ALA 132           H        ALA 132  -6.994  -3.121  -8.313
 1045    HA   ALA 132           HA       ALA 132  -7.680  -4.938 -10.165
 1046   1HB   ALA 132          1HB       ALA 132  -5.023  -5.699  -9.015
 1047   2HB   ALA 132          2HB       ALA 132  -5.583  -5.782 -10.685
 1048   3HB   ALA 132          3HB       ALA 132  -6.170  -6.949  -9.499
 1049    HA   PRO 133           HA       PRO 133  -9.419  -5.840  -6.044
 1050   1HB   PRO 133          2HB       PRO 133 -11.901  -5.091  -6.432
 1051   2HB   PRO 133          1HB       PRO 133 -10.621  -3.858  -6.381
 1052   1HG   PRO 133          2HG       PRO 133 -11.966  -5.089  -8.772
 1053   2HG   PRO 133          1HG       PRO 133 -11.617  -3.380  -8.451
 1054   1HD   PRO 133          2HD       PRO 133 -10.021  -5.077  -9.971
 1055   2HD   PRO 133          1HD       PRO 133  -9.472  -3.567  -9.215
 1056    H    GLU 134           H        GLU 134  -9.287  -7.458  -8.768
 1057    HA   GLU 134           HA       GLU 134 -11.620  -9.160  -8.485
 1058   1HB   GLU 134          2HB       GLU 134 -10.710 -10.363 -10.419
 1059   2HB   GLU 134          1HB       GLU 134 -10.781  -8.634 -10.731
 1060   1HG   GLU 134          2HG       GLU 134  -8.393  -8.448 -10.259
 1061   2HG   GLU 134          1HG       GLU 134  -8.322 -10.182  -9.949
 1062    H    LEU 135           H        LEU 135  -9.278  -8.837  -6.526
 1063    HA   LEU 135           HA       LEU 135  -8.165 -11.503  -6.420
 1064   1HB   LEU 135          2HB       LEU 135  -7.132  -9.164  -5.703
 1065   2HB   LEU 135          1HB       LEU 135  -7.901  -9.561  -4.177
 1066    HG   LEU 135           HG       LEU 135  -5.839 -11.251  -5.601
 1067   1HD1  LEU 135          1HD1      LEU 135  -4.349  -9.925  -4.644
 1068   2HD1  LEU 135          2HD1      LEU 135  -4.931 -10.495  -3.081
 1069   3HD1  LEU 135          3HD1      LEU 135  -5.608  -9.032  -3.793
 1070   1HD2  LEU 135          1HD2      LEU 135  -6.025 -12.030  -2.939
 1071   2HD2  LEU 135          2HD2      LEU 135  -6.588 -12.929  -4.346
 1072   3HD2  LEU 135          3HD2      LEU 135  -7.695 -11.866  -3.474
 1073    H    VAL 136           H        VAL 136  -8.642 -13.059  -4.967
 1074    HA   VAL 136           HA       VAL 136 -10.789 -12.519  -3.045
 1075    HB   VAL 136           HB       VAL 136 -11.875 -13.705  -4.816
 1076   1HG1  VAL 136          1HG1      VAL 136 -11.111 -15.850  -5.665
 1077   2HG1  VAL 136          2HG1      VAL 136  -9.721 -15.808  -4.581
 1078   3HG1  VAL 136          3HG1      VAL 136  -9.858 -14.629  -5.885
 1079   1HG2  VAL 136          1HG2      VAL 136 -12.841 -15.447  -3.617
 1080   2HG2  VAL 136          2HG2      VAL 136 -12.189 -14.402  -2.355
 1081   3HG2  VAL 136          3HG2      VAL 136 -11.325 -15.869  -2.819
 1082    H    PHE 137           H        PHE 137 -10.362 -13.223  -1.020
 1083    HA   PHE 137           HA       PHE 137  -7.789 -14.192  -0.375
 1084   1HB   PHE 137          2HB       PHE 137 -10.325 -13.997   1.268
 1085   2HB   PHE 137          1HB       PHE 137  -8.766 -14.455   1.937
 1086    HD1  PHE 137           1HD      PHE 137  -9.276 -11.858  -0.641
 1087    HD2  PHE 137           2HD      PHE 137  -8.512 -12.649   3.475
 1088    HE1  PHE 137           1HE      PHE 137  -8.757  -9.485  -0.281
 1089    HE2  PHE 137           2HE      PHE 137  -7.987 -10.275   3.835
 1090    HZ   PHE 137           HZ       PHE 137  -8.092  -8.700   1.996
 1091    HA   PRO 138           HA       PRO 138  -7.886 -18.602  -0.634
 1092   1HB   PRO 138          2HB       PRO 138  -7.619 -18.610   2.348
 1093   2HB   PRO 138          1HB       PRO 138  -6.724 -19.544   1.144
 1094   1HG   PRO 138          2HG       PRO 138  -5.624 -17.412   2.284
 1095   2HG   PRO 138          1HG       PRO 138  -5.383 -17.739   0.559
 1096   1HD   PRO 138          2HD       PRO 138  -7.084 -15.686   1.877
 1097   2HD   PRO 138          1HD       PRO 138  -6.249 -15.629   0.312
 1098    H    ASP 139           H        ASP 139  -9.903 -16.876   1.565
 1099    HA   ASP 139           HA       ASP 139 -11.727 -19.051   2.087
 1100   1HB   ASP 139          2HB       ASP 139 -11.523 -16.170   2.856
 1101   2HB   ASP 139          1HB       ASP 139 -13.081 -16.969   3.001
 1102    H    GLY 140           H        GLY 140 -12.892 -15.871   1.231
 1103   1HA   GLY 140          2HA       GLY 140 -13.695 -16.474  -1.433
 1104   2HA   GLY 140          1HA       GLY 140 -15.027 -16.714  -0.310
 1105    H    GLU 141           H        GLU 141 -12.698 -14.346   0.513
 1106    HA   GLU 141           HA       GLU 141 -14.661 -12.225   0.119
 1107   1HB   GLU 141          2HB       GLU 141 -13.574 -12.464   2.308
 1108   2HB   GLU 141          1HB       GLU 141 -11.998 -12.270   1.546
 1109   1HG   GLU 141          2HG       GLU 141 -12.574 -10.006   0.901
 1110   2HG   GLU 141          1HG       GLU 141 -14.168 -10.190   1.632
 1111    H    MET 142           H        MET 142 -13.972 -10.151  -0.832
 1112    HA   MET 142           HA       MET 142 -11.630 -10.318  -2.579
 1113   1HB   MET 142          2HB       MET 142 -14.410  -9.625  -3.547
 1114   2HB   MET 142          1HB       MET 142 -12.941  -9.471  -4.502
 1115   1HG   MET 142          2HG       MET 142 -12.591 -11.875  -4.374
 1116   2HG   MET 142          1HG       MET 142 -14.041 -12.040  -3.387
 1117   1HE   MET 142          1HE       MET 142 -16.831 -11.748  -4.944
 1118   2HE   MET 142          2HE       MET 142 -16.519 -10.270  -5.855
 1119   3HE   MET 142          3HE       MET 142 -15.974 -10.406  -4.185
 1120    H    LEU 143           H        LEU 143 -10.927  -8.211  -3.440
 1121    HA   LEU 143           HA       LEU 143 -10.979  -6.189  -1.511
 1122   1HB   LEU 143          2HB       LEU 143  -9.211  -6.551  -3.191
 1123   2HB   LEU 143          1HB       LEU 143 -10.319  -6.054  -4.453
 1124    HG   LEU 143           HG       LEU 143 -10.390  -3.797  -3.526
 1125   1HD1  LEU 143          1HD1      LEU 143 -10.091  -4.121  -1.202
 1126   2HD1  LEU 143          2HD1      LEU 143  -8.663  -3.247  -1.756
 1127   3HD1  LEU 143          3HD1      LEU 143  -8.569  -4.979  -1.442
 1128   1HD2  LEU 143          1HD2      LEU 143  -8.221  -5.091  -4.770
 1129   2HD2  LEU 143          2HD2      LEU 143  -7.543  -3.956  -3.602
 1130   3HD2  LEU 143          3HD2      LEU 143  -8.659  -3.384  -4.841
 1131    H    ARG 144           H        ARG 144 -13.140  -7.062  -3.995
 1132    HA   ARG 144           HA       ARG 144 -14.422  -4.472  -4.216
 1133   1HB   ARG 144          2HB       ARG 144 -14.280  -6.028  -6.145
 1134   2HB   ARG 144          1HB       ARG 144 -15.270  -7.185  -5.271
 1135   1HG   ARG 144          2HG       ARG 144 -16.227  -4.414  -5.944
 1136   2HG   ARG 144          1HG       ARG 144 -16.425  -5.786  -7.033
 1137   1HD   ARG 144          2HD       ARG 144 -17.629  -6.977  -5.202
 1138   2HD   ARG 144          1HD       ARG 144 -17.536  -5.504  -4.244
 1139    HE   ARG 144           HE       ARG 144 -19.427  -6.070  -6.250
 1140   1HH1  ARG 144          1HH1      ARG 144 -17.454  -3.453  -5.057
 1141   2HH1  ARG 144          2HH1      ARG 144 -18.537  -2.219  -5.610
 1142   1HH2  ARG 144          1HH2      ARG 144 -20.849  -4.450  -6.979
 1143   2HH2  ARG 144          2HH2      ARG 144 -20.464  -2.785  -6.701
 1144    H    GLN 145           H        GLN 145 -15.159  -7.668  -2.882
 1145    HA   GLN 145           HA       GLN 145 -17.685  -7.043  -1.828
 1146   1HB   GLN 145          2HB       GLN 145 -17.032  -9.335  -2.129
 1147   2HB   GLN 145          1HB       GLN 145 -15.653  -9.140  -1.059
 1148   1HG   GLN 145          2HG       GLN 145 -18.423  -8.711  -0.029
 1149   2HG   GLN 145          1HG       GLN 145 -17.784 -10.342  -0.218
 1150   1HE2  GLN 145          1HE2      GLN 145 -15.159  -8.515   0.393
 1151   2HE2  GLN 145          2HE2      GLN 145 -15.080  -8.660   2.109
 1152    H    ILE 146           H        ILE 146 -14.442  -6.658  -0.522
 1153    HA   ILE 146           HA       ILE 146 -15.195  -6.141   2.147
 1154    HB   ILE 146           HB       ILE 146 -12.752  -5.152   0.669
 1155   1HG1  ILE 146          2HG1      ILE 146 -13.137  -7.580   2.436
 1156   2HG1  ILE 146          1HG1      ILE 146 -13.000  -7.616   0.682
 1157   1HG2  ILE 146          1HG2      ILE 146 -13.648  -4.235   3.051
 1158   2HG2  ILE 146          2HG2      ILE 146 -11.945  -4.317   2.599
 1159   3HG2  ILE 146          3HG2      ILE 146 -12.660  -5.600   3.575
 1160   1HD1  ILE 146          1HD1      ILE 146 -10.733  -6.360   1.203
 1161   2HD1  ILE 146          2HD1      ILE 146 -10.863  -8.120   1.241
 1162   3HD1  ILE 146          3HD1      ILE 146 -10.918  -7.197   2.744
 1163    H    LEU 147           H        LEU 147 -14.911  -4.083  -0.697
 1164    HA   LEU 147           HA       LEU 147 -15.248  -1.638   0.739
 1165   1HB   LEU 147          2HB       LEU 147 -15.395  -2.385  -2.162
 1166   2HB   LEU 147          1HB       LEU 147 -15.882  -0.790  -1.625
 1167    HG   LEU 147           HG       LEU 147 -13.144  -2.019  -1.318
 1168   1HD1  LEU 147          1HD1      LEU 147 -13.460  -1.334  -3.559
 1169   2HD1  LEU 147          2HD1      LEU 147 -12.535  -0.054  -2.772
 1170   3HD1  LEU 147          3HD1      LEU 147 -14.262   0.156  -3.063
 1171   1HD2  LEU 147          1HD2      LEU 147 -13.255  -0.697   0.560
 1172   2HD2  LEU 147          2HD2      LEU 147 -14.387   0.439  -0.173
 1173   3HD2  LEU 147          3HD2      LEU 147 -12.686   0.468  -0.636
 1174    H    HIS 148           H        HIS 148 -17.331  -4.145  -0.058
 1175    HA   HIS 148           HA       HIS 148 -19.726  -2.599  -0.430
 1176   1HB   HIS 148          2HB       HIS 148 -19.394  -4.927  -1.325
 1177   2HB   HIS 148          1HB       HIS 148 -19.459  -5.522   0.328
 1178    HD1  HIS 148           1HD      HIS 148 -21.511  -6.886  -0.944
 1179    HD2  HIS 148           2HD      HIS 148 -22.126  -2.883  -0.016
 1180    HE1  HIS 148           1HE      HIS 148 -24.002  -6.553  -1.019
 1181    HE2  HIS 148           2HE      HIS 148 -24.349  -4.114  -0.498
 1182    H    THR 149           H        THR 149 -17.818  -3.695   2.170
 1183    HA   THR 149           HA       THR 149 -19.951  -3.303   4.136
 1184    HB   THR 149           HB       THR 149 -17.158  -4.436   4.380
 1185    HG1  THR 149           1HG      THR 149 -19.712  -5.507   4.121
 1186   1HG2  THR 149          1HG2      THR 149 -18.763  -5.089   6.620
 1187   2HG2  THR 149          2HG2      THR 149 -18.749  -3.335   6.444
 1188   3HG2  THR 149          3HG2      THR 149 -17.229  -4.221   6.575
 1189    H    ARG 150           H        ARG 150 -16.924  -1.942   3.014
 1190    HA   ARG 150           HA       ARG 150 -16.830  -0.002   5.179
 1191   1HB   ARG 150          2HB       ARG 150 -15.067  -0.210   2.732
 1192   2HB   ARG 150          1HB       ARG 150 -14.759   0.759   4.163
 1193   1HG   ARG 150          2HG       ARG 150 -14.892  -2.247   4.100
 1194   2HG   ARG 150          1HG       ARG 150 -13.412  -1.290   4.085
 1195   1HD   ARG 150          2HD       ARG 150 -13.746  -2.002   6.321
 1196   2HD   ARG 150          1HD       ARG 150 -14.159  -0.288   6.265
 1197    HE   ARG 150           HE       ARG 150 -16.494  -1.782   5.864
 1198   1HH1  ARG 150          1HH1      ARG 150 -14.167  -1.101   8.367
 1199   2HH1  ARG 150          2HH1      ARG 150 -15.299  -1.331   9.659
 1200   1HH2  ARG 150          1HH2      ARG 150 -17.987  -2.091   7.558
 1201   2HH2  ARG 150          2HH2      ARG 150 -17.471  -1.896   9.198
 1202    H    ALA 151           H        ALA 151 -17.467  -0.115   1.722
 1203    HA   ALA 151           HA       ALA 151 -18.564   1.285   0.308
 1204   1HB   ALA 151          1HB       ALA 151 -20.360   2.444   1.089
 1205   2HB   ALA 151          2HB       ALA 151 -19.481   3.092   2.474
 1206   3HB   ALA 151          3HB       ALA 151 -20.053   1.423   2.495
 1207    H    PHE 152           H        PHE 152 -15.862   1.708   0.945
 1208    HA   PHE 152           HA       PHE 152 -14.371   3.588   1.232
 1209   1HB   PHE 152          2HB       PHE 152 -14.036   4.206  -1.243
 1210   2HB   PHE 152          1HB       PHE 152 -13.769   2.548  -0.731
 1211    HD1  PHE 152           1HD      PHE 152 -15.229   4.532  -3.197
 1212    HD2  PHE 152           2HD      PHE 152 -15.977   1.043  -0.872
 1213    HE1  PHE 152           1HE      PHE 152 -16.820   3.746  -4.894
 1214    HE2  PHE 152           2HE      PHE 152 -17.568   0.250  -2.572
 1215    HZ   PHE 152           HZ       PHE 152 -17.990   1.601  -4.587
 1216    H    ASP 153           H        ASP 153 -15.396   5.132  -1.326
 1217    HA   ASP 153           HA       ASP 153 -16.189   7.215  -1.834
 1218   1HB   ASP 153          2HB       ASP 153 -18.248   6.383  -0.722
 1219   2HB   ASP 153          1HB       ASP 153 -17.641   6.991   0.814
 1220    H    LYS 154           H        LYS 154 -14.358   6.538   0.899
 1221    HA   LYS 154           HA       LYS 154 -13.975   9.232   1.818
 1222   1HB   LYS 154          2HB       LYS 154 -12.428   6.704   2.429
 1223   2HB   LYS 154          1HB       LYS 154 -12.313   8.224   3.311
 1224   1HG   LYS 154          2HG       LYS 154 -14.739   7.994   3.867
 1225   2HG   LYS 154          1HG       LYS 154 -14.688   6.386   3.151
 1226   1HD   LYS 154          2HD       LYS 154 -12.932   7.296   5.429
 1227   2HD   LYS 154          1HD       LYS 154 -14.433   6.388   5.624
 1228   1HE   LYS 154          2HE       LYS 154 -11.994   5.468   4.106
 1229   2HE   LYS 154          1HE       LYS 154 -12.473   4.924   5.714
 1230   1HZ   LYS 154          1HZ       LYS 154 -13.360   3.282   4.429
 1231   2HZ   LYS 154          2HZ       LYS 154 -13.656   4.295   3.108
 1232   3HZ   LYS 154          3HZ       LYS 154 -14.677   4.343   4.456
 1233    H    LEU 155           H        LEU 155 -11.206   9.067   2.321
 1234    HA   LEU 155           HA       LEU 155  -9.313   9.972   1.441
 1235   1HB   LEU 155          2HB       LEU 155  -9.584   7.939  -0.749
 1236   2HB   LEU 155          1HB       LEU 155  -8.130   8.506   0.048
 1237    HG   LEU 155           HG       LEU 155  -8.359   6.363   0.892
 1238   1HD1  LEU 155          1HD1      LEU 155  -8.808   8.456   2.654
 1239   2HD1  LEU 155          2HD1      LEU 155  -8.256   6.828   3.047
 1240   3HD1  LEU 155          3HD1      LEU 155  -9.975   7.216   3.112
 1241   1HD2  LEU 155          1HD2      LEU 155 -10.967   6.059   1.863
 1242   2HD2  LEU 155          2HD2      LEU 155 -10.218   5.239   0.492
 1243   3HD2  LEU 155          3HD2      LEU 155 -11.120   6.736   0.242
 1244    H    ASN 156           H        ASN 156 -10.666  11.901   0.812
 1245    HA   ASN 156           HA       ASN 156 -11.519  12.268  -1.851
 1246   1HB   ASN 156          2HB       ASN 156 -12.380  13.710  -0.144
 1247   2HB   ASN 156          1HB       ASN 156 -10.760  14.238   0.306
 1248   1HD2  ASN 156          1HD2      ASN 156 -10.265  16.165  -0.374
 1249   2HD2  ASN 156          2HD2      ASN 156 -10.842  16.925  -1.812
 1250    H    LYS 157           H        LYS 157 -10.439  12.713  -3.631
 1251    HA   LYS 157           HA       LYS 157  -7.781  12.381  -4.015
 1252   1HB   LYS 157          2HB       LYS 157  -9.728  14.094  -5.536
 1253   2HB   LYS 157          1HB       LYS 157  -8.068  13.875  -6.071
 1254   1HG   LYS 157          2HG       LYS 157  -8.396  11.507  -6.305
 1255   2HG   LYS 157          1HG       LYS 157 -10.010  11.622  -5.604
 1256   1HD   LYS 157          2HD       LYS 157 -10.106  11.433  -8.040
 1257   2HD   LYS 157          1HD       LYS 157 -10.741  12.987  -7.494
 1258   1HE   LYS 157          2HE       LYS 157  -9.326  13.261  -9.459
 1259   2HE   LYS 157          1HE       LYS 157  -8.615  14.055  -8.056
 1260   1HZ   LYS 157          1HZ       LYS 157  -7.005  12.780  -9.397
 1261   2HZ   LYS 157          2HZ       LYS 157  -7.839  11.357  -9.024
 1262   3HZ   LYS 157          3HZ       LYS 157  -7.091  12.247  -7.794
 1263    H    TRP 158           H        TRP 158  -5.949  13.550  -4.083
 1264    HA   TRP 158           HA       TRP 158  -5.280  15.407  -2.266
 1265   1HB   TRP 158          2HB       TRP 158  -3.633  14.321  -3.656
 1266   2HB   TRP 158          1HB       TRP 158  -4.236  15.139  -5.087
 1267    HD1  TRP 158           HD       TRP 158  -3.195  17.439  -5.669
 1268    HE1  TRP 158           1HE      TRP 158  -1.412  18.937  -4.573
 1269    HE3  TRP 158           3HE      TRP 158  -2.723  15.002  -1.199
 1270    HZ2  TRP 158           2HZ      TRP 158   0.013  19.063  -2.143
 1271    HZ3  TRP 158           3HZ      TRP 158  -1.122  15.874   0.453
 1272    HH2  TRP 158           HH       TRP 158   0.217  17.862  -0.012
  Start of MODEL   13
    1   1H    THR   1          1HT       THR   1   3.189 -13.526  -8.829
    2   2H    THR   1          2HT       THR   1   2.197 -12.882 -10.037
    3   3H    THR   1          3HT       THR   1   1.978 -14.480  -9.526
    4    HA   THR   1           HA       THR   1   0.271 -13.368  -8.467
    5    HB   THR   1           HB       THR   1   2.634 -13.426  -6.580
    6    HG1  THR   1           1HG      THR   1   0.909 -15.375  -7.594
    7   1HG2  THR   1          1HG2      THR   1   0.272 -12.349  -5.934
    8   2HG2  THR   1          2HG2      THR   1   1.280 -13.247  -4.799
    9   3HG2  THR   1          3HG2      THR   1  -0.070 -14.047  -5.604
   10    H    VAL   2           H        VAL   2  -0.570 -11.424  -8.766
   11    HA   VAL   2           HA       VAL   2   0.925  -9.026  -8.850
   12    HB   VAL   2           HB       VAL   2  -1.072  -9.131 -10.129
   13   1HG1  VAL   2          1HG1      VAL   2  -2.404 -10.736  -9.095
   14   2HG1  VAL   2          2HG1      VAL   2  -3.314  -9.239  -8.890
   15   3HG1  VAL   2          3HG1      VAL   2  -2.380  -9.894  -7.546
   16   1HG2  VAL   2          1HG2      VAL   2  -1.225  -7.245  -7.810
   17   2HG2  VAL   2          2HG2      VAL   2  -2.446  -7.231  -9.083
   18   3HG2  VAL   2          3HG2      VAL   2  -0.755  -6.921  -9.477
   19    H    ALA   3           H        ALA   3   1.084  -7.328  -7.411
   20    HA   ALA   3           HA       ALA   3   0.476  -7.993  -4.614
   21   1HB   ALA   3          1HB       ALA   3   2.754  -6.759  -5.950
   22   2HB   ALA   3          2HB       ALA   3   2.658  -7.576  -4.391
   23   3HB   ALA   3          3HB       ALA   3   2.213  -5.874  -4.524
   24    H    TYR   4           H        TYR   4  -0.716  -6.700  -3.359
   25    HA   TYR   4           HA       TYR   4  -1.950  -4.307  -4.576
   26   1HB   TYR   4          2HB       TYR   4  -2.925  -6.139  -2.377
   27   2HB   TYR   4          1HB       TYR   4  -3.751  -4.681  -2.902
   28    HD1  TYR   4           1HD      TYR   4  -2.060  -7.057  -5.164
   29    HD2  TYR   4           2HD      TYR   4  -5.792  -5.699  -3.650
   30    HE1  TYR   4           1HE      TYR   4  -3.230  -8.356  -6.883
   31    HE2  TYR   4           2HE      TYR   4  -6.970  -6.997  -5.363
   32    HH   TYR   4           HH       TYR   4  -5.248  -9.164  -7.533
   33    H    ILE   5           H        ILE   5  -0.019  -3.106  -3.972
   34    HA   ILE   5           HA       ILE   5   0.379  -2.660  -1.109
   35    HB   ILE   5           HB       ILE   5   1.983  -1.390  -3.312
   36   1HG1  ILE   5          2HG1      ILE   5   2.437  -4.118  -2.079
   37   2HG1  ILE   5          1HG1      ILE   5   1.887  -3.821  -3.726
   38   1HG2  ILE   5          1HG2      ILE   5   2.262  -1.809  -0.389
   39   2HG2  ILE   5          2HG2      ILE   5   2.715  -0.427  -1.385
   40   3HG2  ILE   5          3HG2      ILE   5   3.729  -1.868  -1.365
   41   1HD1  ILE   5          1HD1      ILE   5   4.242  -2.342  -3.439
   42   2HD1  ILE   5          2HD1      ILE   5   4.006  -3.833  -4.355
   43   3HD1  ILE   5          3HD1      ILE   5   4.553  -3.903  -2.679
   44    H    ALA   6           H        ALA   6   0.721  -0.426  -0.356
   45    HA   ALA   6           HA       ALA   6  -0.848   1.572  -1.838
   46   1HB   ALA   6          1HB       ALA   6  -1.774   0.304   0.440
   47   2HB   ALA   6          2HB       ALA   6  -2.368   1.827  -0.221
   48   3HB   ALA   6          3HB       ALA   6  -1.137   1.834   1.041
   49    H    ILE   7           H        ILE   7   0.390   3.292  -2.213
   50    HA   ILE   7           HA       ILE   7   2.787   3.756  -0.621
   51    HB   ILE   7           HB       ILE   7   1.783   5.294  -3.013
   52   1HG1  ILE   7          2HG1      ILE   7   2.146   2.956  -3.612
   53   2HG1  ILE   7          1HG1      ILE   7   3.377   3.981  -4.340
   54   1HG2  ILE   7          1HG2      ILE   7   4.612   5.322  -2.733
   55   2HG2  ILE   7          2HG2      ILE   7   3.888   5.801  -1.198
   56   3HG2  ILE   7          3HG2      ILE   7   3.481   6.673  -2.676
   57   1HD1  ILE   7          1HD1      ILE   7   4.062   2.815  -1.730
   58   2HD1  ILE   7          2HD1      ILE   7   5.043   3.025  -3.179
   59   3HD1  ILE   7          3HD1      ILE   7   3.902   1.683  -3.075
   60    H    GLY   8           H        GLY   8   3.271   5.830   0.381
   61   1HA   GLY   8          2HA       GLY   8   1.028   7.681   0.638
   62   2HA   GLY   8          1HA       GLY   8   1.552   6.882   2.109
   63    H    SER   9           H        SER   9   1.558   9.631   1.841
   64    HA   SER   9           HA       SER   9   4.248  10.235   2.535
   65   1HB   SER   9          2HB       SER   9   4.566  10.296   0.132
   66   2HB   SER   9          1HB       SER   9   3.190  11.385  -0.050
   67    HG   SER   9           HG       SER   9   4.399  12.870   1.312
   68    H    ASN  10           H        ASN  10   4.510  12.471   3.260
   69    HA   ASN  10           HA       ASN  10   2.114  14.077   3.521
   70   1HB   ASN  10          2HB       ASN  10   3.334  12.588   5.820
   71   2HB   ASN  10          1HB       ASN  10   2.517  14.120   6.086
   72   1HD2  ASN  10          1HD2      ASN  10   2.052  11.048   6.492
   73   2HD2  ASN  10          2HD2      ASN  10   0.372  10.885   6.118
   74    H    LEU  11           H        LEU  11   5.290  13.641   5.053
   75    HA   LEU  11           HA       LEU  11   5.679  16.543   4.915
   76   1HB   LEU  11          2HB       LEU  11   7.335  16.222   6.687
   77   2HB   LEU  11          1HB       LEU  11   5.763  15.581   7.138
   78    HG   LEU  11           HG       LEU  11   6.741  13.313   6.327
   79   1HD1  LEU  11          1HD1      LEU  11   9.346  14.100   7.320
   80   2HD1  LEU  11          2HD1      LEU  11   8.940  14.904   5.803
   81   3HD1  LEU  11          3HD1      LEU  11   8.915  13.144   5.901
   82   1HD2  LEU  11          1HD2      LEU  11   7.707  14.549   8.899
   83   2HD2  LEU  11          2HD2      LEU  11   7.441  12.836   8.570
   84   3HD2  LEU  11          3HD2      LEU  11   6.070  13.946   8.628
   85    H    ALA  12           H        ALA  12   6.296  14.292   2.838
   86    HA   ALA  12           HA       ALA  12   8.907  15.419   2.118
   87   1HB   ALA  12          1HB       ALA  12   9.378  13.284   3.194
   88   2HB   ALA  12          2HB       ALA  12   9.759  13.218   1.473
   89   3HB   ALA  12          3HB       ALA  12   8.282  12.467   2.077
   90    H    SER  13           H        SER  13   6.789  16.437   0.962
   91    HA   SER  13           HA       SER  13   5.688  16.817  -0.995
   92   1HB   SER  13          2HB       SER  13   8.060  16.926  -1.806
   93   2HB   SER  13          1HB       SER  13   7.933  15.222  -2.248
   94    HG   SER  13           HG       SER  13   5.914  16.132  -3.410
   95    HA   PRO  14           HA       PRO  14   3.393  12.844  -0.635
   96   1HB   PRO  14          2HB       PRO  14   1.439  14.713  -1.899
   97   2HB   PRO  14          1HB       PRO  14   1.199  13.531  -0.606
   98   1HG   PRO  14          2HG       PRO  14   1.396  16.123  -0.046
   99   2HG   PRO  14          1HG       PRO  14   2.140  14.907   1.007
  100   1HD   PRO  14          2HD       PRO  14   3.413  16.757  -0.948
  101   2HD   PRO  14          1HD       PRO  14   4.038  16.132   0.590
  102    H    LEU  15           H        LEU  15   4.074  14.926  -3.330
  103    HA   LEU  15           HA       LEU  15   3.000  13.108  -5.306
  104   1HB   LEU  15          2HB       LEU  15   2.929  15.568  -5.569
  105   2HB   LEU  15          1HB       LEU  15   4.677  15.587  -5.659
  106    HG   LEU  15           HG       LEU  15   4.589  14.242  -7.720
  107   1HD1  LEU  15          1HD1      LEU  15   2.357  14.042  -8.851
  108   2HD1  LEU  15          2HD1      LEU  15   1.616  14.463  -7.308
  109   3HD1  LEU  15          3HD1      LEU  15   2.586  12.998  -7.449
  110   1HD2  LEU  15          1HD2      LEU  15   4.619  16.709  -7.796
  111   2HD2  LEU  15          2HD2      LEU  15   2.856  16.705  -7.860
  112   3HD2  LEU  15          3HD2      LEU  15   3.790  15.993  -9.176
  113    H    GLU  16           H        GLU  16   6.235  14.239  -4.342
  114    HA   GLU  16           HA       GLU  16   7.665  12.748  -6.239
  115   1HB   GLU  16          2HB       GLU  16   8.413  13.943  -3.589
  116   2HB   GLU  16          1HB       GLU  16   9.590  13.164  -4.642
  117   1HG   GLU  16          2HG       GLU  16   7.856  15.481  -5.447
  118   2HG   GLU  16          1HG       GLU  16   9.504  15.640  -4.840
  119    H    GLN  17           H        GLN  17   6.506  11.909  -3.022
  120    HA   GLN  17           HA       GLN  17   8.107   9.603  -2.697
  121   1HB   GLN  17          2HB       GLN  17   5.424  10.284  -1.495
  122   2HB   GLN  17          1HB       GLN  17   6.437   8.941  -0.983
  123   1HG   GLN  17          2HG       GLN  17   7.165  11.859  -0.847
  124   2HG   GLN  17          1HG       GLN  17   6.660  10.851   0.506
  125   1HE2  GLN  17          1HE2      GLN  17   8.227  10.057   1.699
  126   2HE2  GLN  17          2HE2      GLN  17   9.859   9.792   1.198
  127    H    VAL  18           H        VAL  18   5.348  10.218  -4.636
  128    HA   VAL  18           HA       VAL  18   4.650   7.398  -4.877
  129    HB   VAL  18           HB       VAL  18   3.481   9.785  -6.315
  130   1HG1  VAL  18          1HG1      VAL  18   3.268   7.394  -7.285
  131   2HG1  VAL  18          2HG1      VAL  18   1.823   8.398  -7.149
  132   3HG1  VAL  18          3HG1      VAL  18   2.135   7.137  -5.956
  133   1HG2  VAL  18          1HG2      VAL  18   2.970  10.132  -4.058
  134   2HG2  VAL  18          2HG2      VAL  18   2.734   8.411  -3.753
  135   3HG2  VAL  18          3HG2      VAL  18   1.549   9.309  -4.699
  136    H    ASN  19           H        ASN  19   5.811  10.017  -6.985
  137    HA   ASN  19           HA       ASN  19   5.982   8.729  -9.379
  138   1HB   ASN  19          2HB       ASN  19   7.948  10.687  -8.189
  139   2HB   ASN  19          1HB       ASN  19   7.950  10.195  -9.880
  140   1HD2  ASN  19          1HD2      ASN  19   7.066  12.591  -7.920
  141   2HD2  ASN  19          2HD2      ASN  19   5.703  13.221  -8.776
  142    H    ALA  20           H        ALA  20   8.371   8.525  -6.751
  143    HA   ALA  20           HA       ALA  20   9.986   6.669  -8.297
  144   1HB   ALA  20          1HB       ALA  20  11.646   7.383  -7.014
  145   2HB   ALA  20          2HB       ALA  20  10.801   6.874  -5.553
  146   3HB   ALA  20          3HB       ALA  20  10.509   8.478  -6.227
  147    H    ALA  21           H        ALA  21   7.709   6.557  -5.618
  148    HA   ALA  21           HA       ALA  21   8.267   4.025  -4.597
  149   1HB   ALA  21          1HB       ALA  21   5.882   3.989  -3.901
  150   2HB   ALA  21          2HB       ALA  21   5.627   5.453  -4.850
  151   3HB   ALA  21          3HB       ALA  21   6.730   5.475  -3.474
  152    H    LEU  22           H        LEU  22   6.342   4.972  -7.393
  153    HA   LEU  22           HA       LEU  22   5.556   2.243  -7.981
  154   1HB   LEU  22          2HB       LEU  22   5.293   4.473  -9.945
  155   2HB   LEU  22          1HB       LEU  22   4.207   3.134  -9.633
  156    HG   LEU  22           HG       LEU  22   4.575   5.438  -7.730
  157   1HD1  LEU  22          1HD1      LEU  22   2.112   5.248  -9.313
  158   2HD1  LEU  22          2HD1      LEU  22   3.558   5.707 -10.211
  159   3HD1  LEU  22          3HD1      LEU  22   3.045   6.660  -8.818
  160   1HD2  LEU  22          1HD2      LEU  22   3.549   3.040  -7.168
  161   2HD2  LEU  22          2HD2      LEU  22   2.114   3.803  -7.854
  162   3HD2  LEU  22          3HD2      LEU  22   2.926   4.536  -6.469
  163    H    LYS  23           H        LYS  23   7.495   4.777  -9.491
  164    HA   LYS  23           HA       LYS  23   8.475   3.434 -11.691
  165   1HB   LYS  23          2HB       LYS  23   8.806   5.820 -11.312
  166   2HB   LYS  23          1HB       LYS  23   9.867   5.475  -9.954
  167   1HG   LYS  23          2HG       LYS  23  11.148   6.108 -11.907
  168   2HG   LYS  23          1HG       LYS  23  11.472   4.430 -11.468
  169   1HD   LYS  23          2HD       LYS  23  11.235   4.657 -13.873
  170   2HD   LYS  23          1HD       LYS  23   9.921   3.681 -13.216
  171   1HE   LYS  23          2HE       LYS  23   9.086   5.253 -14.879
  172   2HE   LYS  23          1HE       LYS  23   8.445   5.632 -13.282
  173   1HZ   LYS  23          1HZ       LYS  23  10.221   7.331 -13.092
  174   2HZ   LYS  23          2HZ       LYS  23   9.114   7.649 -14.329
  175   3HZ   LYS  23          3HZ       LYS  23  10.642   7.032 -14.704
  176    H    ALA  24           H        ALA  24   9.445   3.198  -8.359
  177    HA   ALA  24           HA       ALA  24  11.916   1.850  -8.829
  178   1HB   ALA  24          1HB       ALA  24  10.213   2.260  -6.400
  179   2HB   ALA  24          2HB       ALA  24  11.811   2.911  -6.765
  180   3HB   ALA  24          3HB       ALA  24  11.626   1.205  -6.358
  181    H    LEU  25           H        LEU  25   8.600   0.797  -8.409
  182    HA   LEU  25           HA       LEU  25   9.136  -1.927  -7.869
  183   1HB   LEU  25          2HB       LEU  25   6.719  -0.790  -9.279
  184   2HB   LEU  25          1HB       LEU  25   6.819  -2.327  -8.442
  185    HG   LEU  25           HG       LEU  25   6.939   0.411  -7.173
  186   1HD1  LEU  25          1HD1      LEU  25   4.809  -1.579  -7.615
  187   2HD1  LEU  25          2HD1      LEU  25   4.713   0.173  -7.436
  188   3HD1  LEU  25          3HD1      LEU  25   4.878  -0.852  -6.009
  189   1HD2  LEU  25          1HD2      LEU  25   6.577  -1.441  -5.171
  190   2HD2  LEU  25          2HD2      LEU  25   8.082  -0.598  -5.544
  191   3HD2  LEU  25          3HD2      LEU  25   7.782  -2.203  -6.210
  192    H    GLY  26           H        GLY  26   9.166  -0.053 -10.783
  193   1HA   GLY  26          2HA       GLY  26   8.891  -2.230 -12.613
  194   2HA   GLY  26          1HA       GLY  26   9.482  -0.620 -12.996
  195    H    ASP  27           H        ASP  27  11.539  -0.890 -10.823
  196    HA   ASP  27           HA       ASP  27  13.510  -2.309 -12.451
  197   1HB   ASP  27          2HB       ASP  27  13.943   0.036 -11.690
  198   2HB   ASP  27          1HB       ASP  27  13.951  -0.545 -10.029
  199    H    ILE  28           H        ILE  28  11.786  -2.553  -9.477
  200    HA   ILE  28           HA       ILE  28  13.438  -4.160  -7.935
  201    HB   ILE  28           HB       ILE  28  10.437  -4.048  -8.153
  202   1HG1  ILE  28          2HG1      ILE  28  12.351  -3.105  -6.004
  203   2HG1  ILE  28          1HG1      ILE  28  11.624  -2.075  -7.234
  204   1HG2  ILE  28          1HG2      ILE  28  11.486  -6.297  -7.331
  205   2HG2  ILE  28          2HG2      ILE  28  10.130  -5.571  -6.467
  206   3HG2  ILE  28          3HG2      ILE  28  11.772  -5.384  -5.850
  207   1HD1  ILE  28          1HD1      ILE  28  10.589  -2.870  -4.701
  208   2HD1  ILE  28          2HD1      ILE  28   9.511  -3.431  -5.980
  209   3HD1  ILE  28          3HD1      ILE  28   9.929  -1.722  -5.867
  210    HA   PRO  29           HA       PRO  29  13.885  -7.992 -10.088
  211   1HB   PRO  29          2HB       PRO  29  13.987  -9.678  -7.905
  212   2HB   PRO  29          1HB       PRO  29  15.354  -8.743  -8.521
  213   1HG   PRO  29          2HG       PRO  29  13.503  -8.125  -6.252
  214   2HG   PRO  29          1HG       PRO  29  15.262  -7.915  -6.354
  215   1HD   PRO  29          2HD       PRO  29  13.602  -5.834  -6.643
  216   2HD   PRO  29          1HD       PRO  29  15.080  -5.975  -7.619
  217    H    GLU  30           H        GLU  30  12.524  -9.329 -11.020
  218    HA   GLU  30           HA       GLU  30  10.654 -10.476 -11.576
  219   1HB   GLU  30          2HB       GLU  30  10.613 -11.011  -8.604
  220   2HB   GLU  30          1HB       GLU  30   9.669 -11.888  -9.799
  221   1HG   GLU  30          2HG       GLU  30  12.676 -11.767  -9.730
  222   2HG   GLU  30          1HG       GLU  30  11.700 -13.084  -9.084
  223    H    SER  31           H        SER  31  10.412  -7.597 -10.257
  224    HA   SER  31           HA       SER  31   7.499  -7.725  -9.860
  225   1HB   SER  31          2HB       SER  31   9.473  -5.616  -8.964
  226   2HB   SER  31          1HB       SER  31   7.731  -5.551  -8.700
  227    HG   SER  31           HG       SER  31   9.461  -7.592  -7.749
  228    H    HIS  32           H        HIS  32   6.136  -6.656 -11.186
  229    HA   HIS  32           HA       HIS  32   7.198  -4.598 -12.974
  230   1HB   HIS  32          2HB       HIS  32   7.469  -6.761 -14.156
  231   2HB   HIS  32          1HB       HIS  32   5.741  -7.035 -14.008
  232    HD1  HIS  32           1HD      HIS  32   7.897  -4.192 -15.359
  233    HD2  HIS  32           2HD      HIS  32   4.494  -6.381 -16.303
  234    HE1  HIS  32           1HE      HIS  32   7.100  -3.280 -17.562
  235    HE2  HIS  32           2HE      HIS  32   4.977  -4.543 -18.055
  236    H    ILE  33           H        ILE  33   5.860  -2.950 -12.430
  237    HA   ILE  33           HA       ILE  33   3.242  -3.227 -11.491
  238    HB   ILE  33           HB       ILE  33   4.715  -0.899 -12.683
  239   1HG1  ILE  33          2HG1      ILE  33   3.611  -1.508  -9.938
  240   2HG1  ILE  33          1HG1      ILE  33   5.298  -1.638 -10.426
  241   1HG2  ILE  33          1HG2      ILE  33   2.794   0.531 -12.025
  242   2HG2  ILE  33          2HG2      ILE  33   1.845  -0.929 -11.747
  243   3HG2  ILE  33          3HG2      ILE  33   2.427  -0.552 -13.368
  244   1HD1  ILE  33          1HD1      ILE  33   5.091   0.865 -10.998
  245   2HD1  ILE  33          2HD1      ILE  33   5.218   0.386  -9.306
  246   3HD1  ILE  33          3HD1      ILE  33   3.648   0.813  -9.987
  247    H    LEU  34           H        LEU  34   1.291  -3.332 -12.400
  248    HA   LEU  34           HA       LEU  34   1.174  -3.539 -15.329
  249   1HB   LEU  34          2HB       LEU  34   0.524  -5.556 -14.141
  250   2HB   LEU  34          1HB       LEU  34  -0.645  -4.657 -13.194
  251    HG   LEU  34           HG       LEU  34  -1.928  -4.196 -15.265
  252   1HD1  LEU  34          1HD1      LEU  34  -1.256  -4.779 -17.324
  253   2HD1  LEU  34          2HD1      LEU  34  -0.555  -6.302 -16.778
  254   3HD1  LEU  34          3HD1      LEU  34   0.351  -4.802 -16.599
  255   1HD2  LEU  34          1HD2      LEU  34  -1.584  -7.148 -15.173
  256   2HD2  LEU  34          2HD2      LEU  34  -3.058  -6.179 -15.176
  257   3HD2  LEU  34          3HD2      LEU  34  -2.093  -6.312 -13.705
  258    H    THR  35           H        THR  35  -0.995  -2.571 -12.651
  259    HA   THR  35           HA       THR  35  -1.898  -0.328 -14.338
  260    HB   THR  35           HB       THR  35  -4.151  -0.601 -13.326
  261    HG1  THR  35           1HG      THR  35  -2.812  -2.543 -11.917
  262   1HG2  THR  35          1HG2      THR  35  -4.797  -1.912 -14.991
  263   2HG2  THR  35          2HG2      THR  35  -3.895  -3.288 -14.358
  264   3HG2  THR  35          3HG2      THR  35  -3.088  -2.101 -15.383
  265    H    VAL  36           H        VAL  36  -2.566   1.574 -13.228
  266    HA   VAL  36           HA       VAL  36  -1.692   1.737 -10.419
  267    HB   VAL  36           HB       VAL  36  -1.195   3.850 -12.524
  268   1HG1  VAL  36          1HG1      VAL  36  -1.581   4.405  -9.981
  269   2HG1  VAL  36          2HG1      VAL  36  -0.297   5.194 -10.899
  270   3HG1  VAL  36          3HG1      VAL  36   0.084   3.841  -9.834
  271   1HG2  VAL  36          1HG2      VAL  36   0.380   1.550 -11.634
  272   2HG2  VAL  36          2HG2      VAL  36   1.252   3.083 -11.583
  273   3HG2  VAL  36          3HG2      VAL  36   0.526   2.530 -13.093
  274    H    SER  37           H        SER  37  -2.868   3.088  -9.084
  275    HA   SER  37           HA       SER  37  -5.533   3.748 -10.014
  276   1HB   SER  37          2HB       SER  37  -5.098   2.654  -7.796
  277   2HB   SER  37          1HB       SER  37  -4.336   4.152  -7.261
  278    HG   SER  37           HG       SER  37  -7.020   3.874  -8.145
  279    H    SER  38           H        SER  38  -5.819   5.965  -8.051
  280    HA   SER  38           HA       SER  38  -4.333   8.054  -9.506
  281   1HB   SER  38          2HB       SER  38  -6.316   9.521  -9.261
  282   2HB   SER  38          1HB       SER  38  -6.668   8.084 -10.222
  283    HG   SER  38           HG       SER  38  -7.788   8.909  -7.911
  284    H    PHE  39           H        PHE  39  -4.867  10.259  -8.093
  285    HA   PHE  39           HA       PHE  39  -3.568   9.687  -5.566
  286   1HB   PHE  39          2HB       PHE  39  -3.456  12.246  -5.458
  287   2HB   PHE  39          1HB       PHE  39  -2.511  11.444  -6.704
  288    HD1  PHE  39           1HD      PHE  39  -2.548  12.361  -8.793
  289    HD2  PHE  39           2HD      PHE  39  -5.931  12.899  -6.268
  290    HE1  PHE  39           1HE      PHE  39  -3.596  13.781 -10.506
  291    HE2  PHE  39           2HE      PHE  39  -6.985  14.316  -7.978
  292    HZ   PHE  39           HZ       PHE  39  -5.820  14.760 -10.101
  293    H    TYR  40           H        TYR  40  -4.422   9.984  -3.578
  294    HA   TYR  40           HA       TYR  40  -7.149  11.060  -3.411
  295   1HB   TYR  40          2HB       TYR  40  -6.166   8.522  -2.096
  296   2HB   TYR  40          1HB       TYR  40  -7.711   9.291  -1.757
  297    HD1  TYR  40           1HD      TYR  40  -5.727   7.770  -4.514
  298    HD2  TYR  40           2HD      TYR  40  -9.595   8.750  -3.037
  299    HE1  TYR  40           1HE      TYR  40  -6.744   6.517  -6.367
  300    HE2  TYR  40           2HE      TYR  40 -10.622   7.494  -4.883
  301    HH   TYR  40           HH       TYR  40  -9.303   5.289  -6.572
  302    H    ARG  41           H        ARG  41  -7.249  12.665  -2.035
  303    HA   ARG  41           HA       ARG  41  -5.155  13.115  -0.081
  304   1HB   ARG  41          2HB       ARG  41  -6.176  14.945  -1.477
  305   2HB   ARG  41          1HB       ARG  41  -7.673  14.716  -0.586
  306   1HG   ARG  41          2HG       ARG  41  -6.412  15.254   1.505
  307   2HG   ARG  41          1HG       ARG  41  -5.034  15.663   0.479
  308   1HD   ARG  41          2HD       ARG  41  -6.322  17.373  -0.639
  309   2HD   ARG  41          1HD       ARG  41  -7.761  16.928   0.276
  310    HE   ARG  41           HE       ARG  41  -5.729  17.597   2.080
  311   1HH1  ARG  41          1HH1      ARG  41  -7.750  19.101  -0.327
  312   2HH1  ARG  41          2HH1      ARG  41  -7.751  20.646   0.453
  313   1HH2  ARG  41          1HH2      ARG  41  -5.731  19.631   3.119
  314   2HH2  ARG  41          2HH2      ARG  41  -6.605  20.947   2.411
  315    H    THR  42           H        THR  42  -5.295  11.961   1.758
  316    HA   THR  42           HA       THR  42  -7.904  11.831   3.121
  317    HB   THR  42           HB       THR  42  -7.669   9.528   3.585
  318    HG1  THR  42           1HG      THR  42  -5.717   8.921   4.042
  319   1HG2  THR  42          1HG2      THR  42  -7.978  10.204   1.056
  320   2HG2  THR  42          2HG2      THR  42  -7.809   8.521   1.559
  321   3HG2  THR  42          3HG2      THR  42  -6.420   9.390   0.905
  322    HA   PRO  43           HA       PRO  43  -5.516  12.798   6.749
  323   1HB   PRO  43          2HB       PRO  43  -7.180  12.014   8.694
  324   2HB   PRO  43          1HB       PRO  43  -7.599  13.361   7.629
  325   1HG   PRO  43          2HG       PRO  43  -8.553  10.531   7.573
  326   2HG   PRO  43          1HG       PRO  43  -9.457  12.026   7.272
  327   1HD   PRO  43          2HD       PRO  43  -8.437  10.354   5.306
  328   2HD   PRO  43          1HD       PRO  43  -8.878  12.056   5.070
  329    HA   PRO  44           HA       PRO  44  -3.605   8.744   7.275
  330   1HB   PRO  44          2HB       PRO  44  -1.335   9.667   8.495
  331   2HB   PRO  44          1HB       PRO  44  -1.570   9.583   6.749
  332   1HG   PRO  44          2HG       PRO  44  -1.686  11.915   8.563
  333   2HG   PRO  44          1HG       PRO  44  -1.214  11.835   6.862
  334   1HD   PRO  44          2HD       PRO  44  -3.635  12.777   7.809
  335   2HD   PRO  44          1HD       PRO  44  -3.325  12.224   6.156
  336    H    LEU  45           H        LEU  45  -2.150   7.926   9.340
  337    HA   LEU  45           HA       LEU  45  -3.481   8.695  11.802
  338   1HB   LEU  45          2HB       LEU  45  -3.707   5.969  10.535
  339   2HB   LEU  45          1HB       LEU  45  -3.867   6.184  12.271
  340    HG   LEU  45           HG       LEU  45  -5.678   7.966  11.557
  341   1HD1  LEU  45          1HD1      LEU  45  -5.163   6.424   9.095
  342   2HD1  LEU  45          2HD1      LEU  45  -5.779   8.064   9.306
  343   3HD1  LEU  45          3HD1      LEU  45  -6.855   6.685   9.526
  344   1HD2  LEU  45          1HD2      LEU  45  -5.938   4.986  11.711
  345   2HD2  LEU  45          2HD2      LEU  45  -7.350   6.020  11.487
  346   3HD2  LEU  45          3HD2      LEU  45  -6.342   6.201  12.923
  347    H    GLY  46           H        GLY  46  -2.120   8.785  13.414
  348   1HA   GLY  46          2HA       GLY  46  -0.437   7.432  14.705
  349   2HA   GLY  46          1HA       GLY  46   0.431   7.317  13.180
  350    HA   PRO  47           HA       PRO  47   1.945  11.216  15.019
  351   1HB   PRO  47          2HB       PRO  47   4.187  10.428  16.072
  352   2HB   PRO  47          1HB       PRO  47   2.672   9.955  16.827
  353   1HG   PRO  47          2HG       PRO  47   4.607   8.310  15.299
  354   2HG   PRO  47          1HG       PRO  47   3.416   7.806  16.509
  355   1HD   PRO  47          2HD       PRO  47   3.169   7.812  13.608
  356   2HD   PRO  47          1HD       PRO  47   2.042   7.153  14.817
  357    H    GLN  48           H        GLN  48   2.912  12.686  13.718
  358    HA   GLN  48           HA       GLN  48   5.458  12.696  12.731
  359   1HB   GLN  48          2HB       GLN  48   5.256  12.172  10.340
  360   2HB   GLN  48          1HB       GLN  48   4.936  10.766  11.342
  361   1HG   GLN  48          2HG       GLN  48   2.934  12.452   9.865
  362   2HG   GLN  48          1HG       GLN  48   3.389  10.786   9.531
  363   1HE2  GLN  48          1HE2      GLN  48   2.459   9.157  10.669
  364   2HE2  GLN  48          2HE2      GLN  48   1.226   9.388  11.848
  365    H    ASP  49           H        ASP  49   2.182  13.431  11.612
  366    HA   ASP  49           HA       ASP  49   2.164  16.116  12.055
  367   1HB   ASP  49          2HB       ASP  49   4.117  16.076  10.390
  368   2HB   ASP  49          1HB       ASP  49   2.905  15.727   9.160
  369    H    GLN  50           H        GLN  50   1.146  13.419  10.145
  370    HA   GLN  50           HA       GLN  50  -0.708  12.902   9.028
  371   1HB   GLN  50          2HB       GLN  50  -1.242  13.791  11.687
  372   2HB   GLN  50          1HB       GLN  50  -2.648  14.030  10.660
  373   1HG   GLN  50          2HG       GLN  50  -2.483  11.838  11.868
  374   2HG   GLN  50          1HG       GLN  50  -2.788  11.771  10.142
  375   1HE2  GLN  50          1HE2      GLN  50  -1.128  10.352  12.563
  376   2HE2  GLN  50          2HE2      GLN  50   0.123   9.631  11.634
  377    HA   PRO  51           HA       PRO  51  -1.596  17.222   7.281
  378   1HB   PRO  51          2HB       PRO  51   0.193  16.583   5.072
  379   2HB   PRO  51          1HB       PRO  51   0.238  17.970   6.160
  380   1HG   PRO  51          2HG       PRO  51   2.114  16.011   6.183
  381   2HG   PRO  51          1HG       PRO  51   1.664  16.932   7.626
  382   1HD   PRO  51          2HD       PRO  51   0.813  14.188   6.786
  383   2HD   PRO  51          1HD       PRO  51   1.272  14.782   8.393
  384    H    ASP  52           H        ASP  52  -1.426  17.053   4.332
  385    HA   ASP  52           HA       ASP  52  -3.838  15.545   3.888
  386   1HB   ASP  52          2HB       ASP  52  -2.105  17.047   1.913
  387   2HB   ASP  52          1HB       ASP  52  -3.738  16.458   1.619
  388    H    TYR  53           H        TYR  53  -2.712  13.503   4.523
  389    HA   TYR  53           HA       TYR  53  -0.700  12.219   3.182
  390   1HB   TYR  53          2HB       TYR  53  -1.922  11.480   5.246
  391   2HB   TYR  53          1HB       TYR  53  -3.225  10.922   4.209
  392    HD1  TYR  53           1HD      TYR  53  -3.266   8.641   4.185
  393    HD2  TYR  53           2HD      TYR  53   0.487  10.612   4.012
  394    HE1  TYR  53           1HE      TYR  53  -2.146   6.463   3.912
  395    HE2  TYR  53           2HE      TYR  53   1.627   8.449   3.745
  396    HH   TYR  53           HH       TYR  53   0.615   5.955   2.727
  397    H    LEU  54           H        LEU  54  -0.463  11.825   1.061
  398    HA   LEU  54           HA       LEU  54  -2.747  11.678  -0.691
  399   1HB   LEU  54          2HB       LEU  54  -0.529  12.635  -1.367
  400   2HB   LEU  54          1HB       LEU  54   0.129  11.007  -1.331
  401    HG   LEU  54           HG       LEU  54  -1.525  10.365  -3.097
  402   1HD1  LEU  54          1HD1      LEU  54  -2.786  12.696  -2.378
  403   2HD1  LEU  54          2HD1      LEU  54  -3.122  11.739  -3.822
  404   3HD1  LEU  54          3HD1      LEU  54  -2.020  13.116  -3.912
  405   1HD2  LEU  54          1HD2      LEU  54   0.296  12.664  -3.805
  406   2HD2  LEU  54          2HD2      LEU  54  -0.347  11.459  -4.922
  407   3HD2  LEU  54          3HD2      LEU  54   0.783  10.976  -3.657
  408    H    ASN  55           H        ASN  55  -3.060   9.757  -2.164
  409    HA   ASN  55           HA       ASN  55  -2.161   7.222  -1.057
  410   1HB   ASN  55          2HB       ASN  55  -4.156   7.854   0.271
  411   2HB   ASN  55          1HB       ASN  55  -5.097   7.909  -1.213
  412   1HD2  ASN  55          1HD2      ASN  55  -2.787   5.479  -1.368
  413   2HD2  ASN  55          2HD2      ASN  55  -3.793   4.151  -0.922
  414    H    ALA  56           H        ALA  56  -2.101   5.595  -2.510
  415    HA   ALA  56           HA       ALA  56  -3.704   5.415  -4.827
  416   1HB   ALA  56          1HB       ALA  56  -2.576   6.508  -6.411
  417   2HB   ALA  56          2HB       ALA  56  -1.038   5.815  -5.893
  418   3HB   ALA  56          3HB       ALA  56  -1.661   7.267  -5.108
  419    H    ALA  57           H        ALA  57  -3.920   3.227  -4.468
  420    HA   ALA  57           HA       ALA  57  -1.675   1.564  -3.810
  421   1HB   ALA  57          1HB       ALA  57  -4.320   0.600  -4.864
  422   2HB   ALA  57          2HB       ALA  57  -4.118   1.159  -3.205
  423   3HB   ALA  57          3HB       ALA  57  -3.201  -0.230  -3.784
  424    H    VAL  58           H        VAL  58  -1.339  -0.514  -5.267
  425    HA   VAL  58           HA       VAL  58  -1.706  -0.093  -8.078
  426    HB   VAL  58           HB       VAL  58   0.109   1.423  -7.812
  427   1HG1  VAL  58          1HG1      VAL  58   1.220  -0.713  -6.114
  428   2HG1  VAL  58          2HG1      VAL  58   1.352   1.038  -5.965
  429   3HG1  VAL  58          3HG1      VAL  58   2.377   0.171  -7.109
  430   1HG2  VAL  58          1HG2      VAL  58   1.926  -0.271  -9.013
  431   2HG2  VAL  58          2HG2      VAL  58   0.662   0.651  -9.828
  432   3HG2  VAL  58          3HG2      VAL  58   0.365  -1.020  -9.351
  433    H    ALA  59           H        ALA  59  -1.973  -1.999  -8.986
  434    HA   ALA  59           HA       ALA  59  -1.272  -4.404  -7.583
  435   1HB   ALA  59          1HB       ALA  59  -2.155  -5.354  -9.892
  436   2HB   ALA  59          2HB       ALA  59  -2.779  -3.712 -10.048
  437   3HB   ALA  59          3HB       ALA  59  -3.254  -4.710  -8.673
  438    H    LEU  60           H        LEU  60   0.989  -4.389  -7.501
  439    HA   LEU  60           HA       LEU  60   2.627  -4.142  -9.819
  440   1HB   LEU  60          2HB       LEU  60   3.507  -3.619  -7.623
  441   2HB   LEU  60          1HB       LEU  60   3.198  -5.253  -7.071
  442    HG   LEU  60           HG       LEU  60   4.891  -6.083  -8.711
  443   1HD1  LEU  60          1HD1      LEU  60   6.365  -3.733  -9.152
  444   2HD1  LEU  60          2HD1      LEU  60   4.705  -3.376  -9.631
  445   3HD1  LEU  60          3HD1      LEU  60   5.556  -4.746 -10.349
  446   1HD2  LEU  60          1HD2      LEU  60   6.520  -4.188  -7.242
  447   2HD2  LEU  60          2HD2      LEU  60   6.397  -5.939  -7.078
  448   3HD2  LEU  60          3HD2      LEU  60   5.257  -4.894  -6.233
  449    H    GLU  61           H        GLU  61   2.632  -5.597 -11.410
  450    HA   GLU  61           HA       GLU  61   1.849  -8.325 -10.981
  451   1HB   GLU  61          2HB       GLU  61   1.548  -6.913 -13.117
  452   2HB   GLU  61          1HB       GLU  61   3.240  -7.262 -13.432
  453   1HG   GLU  61          2HG       GLU  61   2.747  -9.664 -13.364
  454   2HG   GLU  61          1HG       GLU  61   1.048  -9.289 -13.118
  455    H    THR  62           H        THR  62   3.304  -9.175  -9.516
  456    HA   THR  62           HA       THR  62   6.032  -9.543 -10.550
  457    HB   THR  62           HB       THR  62   6.128  -7.879  -8.802
  458    HG1  THR  62           1HG      THR  62   7.554  -8.927  -7.423
  459   1HG2  THR  62          1HG2      THR  62   4.626  -7.866  -7.182
  460   2HG2  THR  62          2HG2      THR  62   5.520  -9.194  -6.442
  461   3HG2  THR  62          3HG2      THR  62   4.158  -9.535  -7.509
  462    H    SER  63           H        SER  63   7.195 -11.293  -9.417
  463    HA   SER  63           HA       SER  63   5.435 -13.503  -8.608
  464   1HB   SER  63          2HB       SER  63   7.845 -13.703 -10.444
  465   2HB   SER  63          1HB       SER  63   6.899 -15.067  -9.845
  466    HG   SER  63           HG       SER  63   6.383 -14.180 -12.022
  467    H    LEU  64           H        LEU  64   7.578 -11.363  -7.660
  468    HA   LEU  64           HA       LEU  64   9.692 -12.755  -6.457
  469   1HB   LEU  64          2HB       LEU  64   9.231 -10.201  -6.763
  470   2HB   LEU  64          1HB       LEU  64   8.433 -10.331  -5.212
  471    HG   LEU  64           HG       LEU  64  10.857  -9.531  -5.226
  472   1HD1  LEU  64          1HD1      LEU  64  11.249 -11.491  -3.330
  473   2HD1  LEU  64          2HD1      LEU  64   9.492 -11.377  -3.457
  474   3HD1  LEU  64          3HD1      LEU  64  10.444  -9.940  -3.083
  475   1HD2  LEU  64          1HD2      LEU  64  11.761 -12.326  -5.163
  476   2HD2  LEU  64          2HD2      LEU  64  12.558 -10.884  -5.793
  477   3HD2  LEU  64          3HD2      LEU  64  11.330 -11.706  -6.757
  478    H    ALA  65           H        ALA  65  10.001 -13.267  -4.174
  479    HA   ALA  65           HA       ALA  65   8.010 -14.913  -3.135
  480   1HB   ALA  65          1HB       ALA  65  10.542 -13.776  -2.046
  481   2HB   ALA  65          2HB       ALA  65  10.105 -15.454  -2.358
  482   3HB   ALA  65          3HB       ALA  65   9.435 -14.614  -0.959
  483    HA   PRO  66           HA       PRO  66   5.087 -12.071  -1.382
  484   1HB   PRO  66          2HB       PRO  66   4.681 -14.163   0.664
  485   2HB   PRO  66          1HB       PRO  66   3.519 -13.412  -0.424
  486   1HG   PRO  66          2HG       PRO  66   4.432 -15.938  -0.753
  487   2HG   PRO  66          1HG       PRO  66   3.921 -14.910  -2.103
  488   1HD   PRO  66          2HD       PRO  66   6.639 -15.722  -1.272
  489   2HD   PRO  66          1HD       PRO  66   6.039 -15.240  -2.872
  490    H    GLU  67           H        GLU  67   7.667 -13.548   0.389
  491    HA   GLU  67           HA       GLU  67   7.249 -11.798   2.672
  492   1HB   GLU  67          2HB       GLU  67   9.330 -13.104   3.513
  493   2HB   GLU  67          1HB       GLU  67   7.755 -13.893   3.469
  494   1HG   GLU  67          2HG       GLU  67   8.319 -14.952   1.390
  495   2HG   GLU  67          1HG       GLU  67   9.870 -14.135   1.344
  496    H    GLU  68           H        GLU  68   9.478 -12.222  -0.009
  497    HA   GLU  68           HA       GLU  68  11.238 -10.177   1.066
  498   1HB   GLU  68          2HB       GLU  68  12.265 -12.055  -0.111
  499   2HB   GLU  68          1HB       GLU  68  11.371 -11.644  -1.571
  500   1HG   GLU  68          2HG       GLU  68  12.531  -9.491  -1.677
  501   2HG   GLU  68          1HG       GLU  68  13.431  -9.905  -0.219
  502    H    LEU  69           H        LEU  69   8.556 -10.422  -1.067
  503    HA   LEU  69           HA       LEU  69   8.971  -8.258  -2.759
  504   1HB   LEU  69          2HB       LEU  69   7.147  -9.917  -2.919
  505   2HB   LEU  69          1HB       LEU  69   6.349  -9.159  -1.574
  506    HG   LEU  69           HG       LEU  69   5.310  -8.533  -3.684
  507   1HD1  LEU  69          1HD1      LEU  69   5.066  -6.270  -3.301
  508   2HD1  LEU  69          2HD1      LEU  69   6.751  -6.067  -2.810
  509   3HD1  LEU  69          3HD1      LEU  69   5.610  -6.874  -1.734
  510   1HD2  LEU  69          1HD2      LEU  69   6.628  -8.437  -5.470
  511   2HD2  LEU  69          2HD2      LEU  69   8.072  -8.168  -4.494
  512   3HD2  LEU  69          3HD2      LEU  69   7.042  -6.807  -4.938
  513    H    LEU  70           H        LEU  70   6.983  -8.212   0.236
  514    HA   LEU  70           HA       LEU  70   6.948  -5.379   0.359
  515   1HB   LEU  70          2HB       LEU  70   5.302  -6.631   1.597
  516   2HB   LEU  70          1HB       LEU  70   6.547  -7.466   2.503
  517    HG   LEU  70           HG       LEU  70   6.257  -4.483   2.734
  518   1HD1  LEU  70          1HD1      LEU  70   4.879  -6.346   4.619
  519   2HD1  LEU  70          2HD1      LEU  70   4.066  -5.805   3.150
  520   3HD1  LEU  70          3HD1      LEU  70   4.607  -4.625   4.343
  521   1HD2  LEU  70          1HD2      LEU  70   7.425  -6.685   4.406
  522   2HD2  LEU  70          2HD2      LEU  70   7.054  -5.099   5.082
  523   3HD2  LEU  70          3HD2      LEU  70   8.218  -5.247   3.765
  524    H    ASN  71           H        ASN  71   9.014  -7.847   1.739
  525    HA   ASN  71           HA       ASN  71  10.581  -6.359   3.444
  526   1HB   ASN  71          2HB       ASN  71  10.697  -8.831   3.150
  527   2HB   ASN  71          1HB       ASN  71  11.561  -8.581   1.639
  528   1HD2  ASN  71          1HD2      ASN  71  12.402  -6.212   3.856
  529   2HD2  ASN  71          2HD2      ASN  71  13.860  -6.921   4.444
  530    H    HIS  72           H        HIS  72  10.866  -6.651  -0.091
  531    HA   HIS  72           HA       HIS  72  13.216  -4.978  -0.090
  532   1HB   HIS  72          2HB       HIS  72  13.305  -5.323  -2.459
  533   2HB   HIS  72          1HB       HIS  72  13.005  -6.864  -1.683
  534    HD1  HIS  72           1HD      HIS  72  10.586  -4.178  -2.898
  535    HD2  HIS  72           2HD      HIS  72  11.422  -8.217  -3.371
  536    HE1  HIS  72           1HE      HIS  72   8.812  -5.054  -4.445
  537    HE2  HIS  72           2HE      HIS  72   9.421  -7.469  -4.821
  538    H    THR  73           H        THR  73   9.773  -4.711  -0.832
  539    HA   THR  73           HA       THR  73   9.805  -2.238  -2.127
  540    HB   THR  73           HB       THR  73   7.527  -1.871  -1.216
  541    HG1  THR  73           1HG      THR  73   8.125  -2.988   0.838
  542   1HG2  THR  73          1HG2      THR  73   7.389  -4.737  -1.832
  543   2HG2  THR  73          2HG2      THR  73   8.194  -3.727  -3.034
  544   3HG2  THR  73          3HG2      THR  73   6.535  -3.371  -2.547
  545    H    GLN  74           H        GLN  74  10.225  -3.076   1.219
  546    HA   GLN  74           HA       GLN  74   9.943  -0.524   2.382
  547   1HB   GLN  74          2HB       GLN  74  11.692  -2.835   3.261
  548   2HB   GLN  74          1HB       GLN  74  11.217  -1.468   4.265
  549   1HG   GLN  74          2HG       GLN  74   9.306  -3.460   3.066
  550   2HG   GLN  74          1HG       GLN  74   9.941  -3.539   4.704
  551   1HE2  GLN  74          1HE2      GLN  74   9.666  -0.358   4.179
  552   2HE2  GLN  74          2HE2      GLN  74   8.060  -0.085   4.746
  553    H    ARG  75           H        ARG  75  12.598  -2.170   0.800
  554    HA   ARG  75           HA       ARG  75  14.669  -0.409   1.522
  555   1HB   ARG  75          2HB       ARG  75  15.255  -2.548   0.667
  556   2HB   ARG  75          1HB       ARG  75  14.335  -2.301  -0.809
  557   1HG   ARG  75          2HG       ARG  75  15.920  -0.624  -1.544
  558   2HG   ARG  75          1HG       ARG  75  16.812  -0.773  -0.026
  559   1HD   ARG  75          2HD       ARG  75  17.919  -2.021  -1.793
  560   2HD   ARG  75          1HD       ARG  75  17.305  -3.113  -0.554
  561    HE   ARG  75           HE       ARG  75  15.383  -2.858  -2.582
  562   1HH1  ARG  75          1HH1      ARG  75  18.541  -4.227  -2.036
  563   2HH1  ARG  75          2HH1      ARG  75  18.348  -5.474  -3.220
  564   1HH2  ARG  75          1HH2      ARG  75  15.120  -4.499  -4.144
  565   2HH2  ARG  75          2HH2      ARG  75  16.403  -5.629  -4.419
  566    H    ILE  76           H        ILE  76  12.086  -0.086  -0.746
  567    HA   ILE  76           HA       ILE  76  13.280   1.783  -2.510
  568    HB   ILE  76           HB       ILE  76  10.395   1.227  -1.805
  569   1HG1  ILE  76          2HG1      ILE  76  10.303   0.400  -4.126
  570   2HG1  ILE  76          1HG1      ILE  76  11.995   0.825  -4.349
  571   1HG2  ILE  76          1HG2      ILE  76  11.536   3.453  -3.416
  572   2HG2  ILE  76          2HG2      ILE  76  10.124   3.429  -2.359
  573   3HG2  ILE  76          3HG2      ILE  76  10.041   2.693  -3.961
  574   1HD1  ILE  76          1HD1      ILE  76  12.695  -0.853  -2.825
  575   2HD1  ILE  76          2HD1      ILE  76  11.547  -1.590  -3.942
  576   3HD1  ILE  76          3HD1      ILE  76  11.038  -1.159  -2.310
  577    H    GLU  77           H        GLU  77  11.778   1.960   0.601
  578    HA   GLU  77           HA       GLU  77  11.327   4.715   0.799
  579   1HB   GLU  77          2HB       GLU  77  12.069   2.717   2.943
  580   2HB   GLU  77          1HB       GLU  77  11.416   4.314   3.234
  581   1HG   GLU  77          2HG       GLU  77   9.364   3.692   2.060
  582   2HG   GLU  77          1HG       GLU  77  10.022   2.078   1.796
  583    H    LEU  78           H        LEU  78  14.176   2.735   1.438
  584    HA   LEU  78           HA       LEU  78  15.767   4.900   2.432
  585   1HB   LEU  78          2HB       LEU  78  16.564   2.167   1.423
  586   2HB   LEU  78          1HB       LEU  78  17.636   3.288   2.239
  587    HG   LEU  78           HG       LEU  78  15.171   2.056   3.476
  588   1HD1  LEU  78          1HD1      LEU  78  17.369   0.666   2.908
  589   2HD1  LEU  78          2HD1      LEU  78  16.447   0.420   4.391
  590   3HD1  LEU  78          3HD1      LEU  78  17.904   1.412   4.414
  591   1HD2  LEU  78          1HD2      LEU  78  15.932   4.331   4.295
  592   2HD2  LEU  78          2HD2      LEU  78  17.405   3.532   4.845
  593   3HD2  LEU  78          3HD2      LEU  78  15.842   3.052   5.506
  594    H    GLN  79           H        GLN  79  15.413   3.231  -0.660
  595    HA   GLN  79           HA       GLN  79  17.534   4.598  -1.971
  596   1HB   GLN  79          2HB       GLN  79  15.132   3.287  -3.230
  597   2HB   GLN  79          1HB       GLN  79  16.669   3.644  -4.003
  598   1HG   GLN  79          2HG       GLN  79  17.742   2.081  -2.359
  599   2HG   GLN  79          1HG       GLN  79  16.117   1.620  -1.858
  600   1HE2  GLN  79          1HE2      GLN  79  15.248  -0.034  -2.852
  601   2HE2  GLN  79          2HE2      GLN  79  15.698  -0.634  -4.405
  602    H    GLN  80           H        GLN  80  14.427   5.557  -1.036
  603    HA   GLN  80           HA       GLN  80  14.124   7.524  -3.158
  604   1HB   GLN  80          2HB       GLN  80  12.185   6.203  -2.377
  605   2HB   GLN  80          1HB       GLN  80  12.366   6.905  -0.778
  606   1HG   GLN  80          2HG       GLN  80  11.827   9.088  -1.622
  607   2HG   GLN  80          1HG       GLN  80  11.791   8.477  -3.276
  608   1HE2  GLN  80          1HE2      GLN  80   9.855   8.128  -4.032
  609   2HE2  GLN  80          2HE2      GLN  80   8.457   7.689  -3.122
  610    H    GLY  81           H        GLY  81  15.648   7.297  -0.196
  611   1HA   GLY  81          2HA       GLY  81  16.801   8.910   0.986
  612   2HA   GLY  81          1HA       GLY  81  16.162  10.120  -0.122
  613    H    ARG  82           H        ARG  82  14.432   7.791   1.900
  614    HA   ARG  82           HA       ARG  82  12.452   9.564   2.695
  615   1HB   ARG  82          2HB       ARG  82  11.830   7.948   4.365
  616   2HB   ARG  82          1HB       ARG  82  12.320   7.092   2.913
  617   1HG   ARG  82          2HG       ARG  82  14.524   6.671   3.941
  618   2HG   ARG  82          1HG       ARG  82  13.955   7.463   5.411
  619   1HD   ARG  82          2HD       ARG  82  12.124   5.802   5.546
  620   2HD   ARG  82          1HD       ARG  82  12.806   4.979   4.144
  621    HE   ARG  82           HE       ARG  82  14.809   5.209   6.075
  622   1HH1  ARG  82          1HH1      ARG  82  11.764   3.580   5.607
  623   2HH1  ARG  82          2HH1      ARG  82  12.174   2.244   6.629
  624   1HH2  ARG  82          1HH2      ARG  82  15.356   3.452   7.424
  625   2HH2  ARG  82          2HH2      ARG  82  14.214   2.172   7.663
  626    H    VAL  83           H        VAL  83  12.032  10.250   4.984
  627    HA   VAL  83           HA       VAL  83  14.519  11.235   6.210
  628    HB   VAL  83           HB       VAL  83  11.914  12.746   6.109
  629   1HG1  VAL  83          1HG1      VAL  83  14.698  13.717   6.730
  630   2HG1  VAL  83          2HG1      VAL  83  13.510  13.270   7.953
  631   3HG1  VAL  83          3HG1      VAL  83  13.192  14.622   6.868
  632   1HG2  VAL  83          1HG2      VAL  83  13.544  12.218   3.947
  633   2HG2  VAL  83          2HG2      VAL  83  14.108  13.797   4.508
  634   3HG2  VAL  83          3HG2      VAL  83  12.411  13.566   4.089
  635    H    ARG  84           H        ARG  84  14.737  10.044   7.976
  636    HA   ARG  84           HA       ARG  84  12.544   9.010   9.462
  637   1HB   ARG  84          2HB       ARG  84  14.289   8.165  10.996
  638   2HB   ARG  84          1HB       ARG  84  14.588   7.751   9.314
  639   1HG   ARG  84          2HG       ARG  84  16.180   9.636   9.173
  640   2HG   ARG  84          1HG       ARG  84  15.931   9.929  10.895
  641   1HD   ARG  84          2HD       ARG  84  16.726   7.656  11.379
  642   2HD   ARG  84          1HD       ARG  84  16.998   7.394   9.656
  643    HE   ARG  84           HE       ARG  84  19.005   8.415   9.933
  644   1HH1  ARG  84          1HH1      ARG  84  16.829   9.687  12.346
  645   2HH1  ARG  84          2HH1      ARG  84  18.019  10.731  13.049
  646   1HH2  ARG  84          1HH2      ARG  84  20.571   9.786  10.856
  647   2HH2  ARG  84          2HH2      ARG  84  20.144  10.787  12.203
  648    H    LYS  85           H        LYS  85  11.636   9.623  11.273
  649    HA   LYS  85           HA       LYS  85  12.751  11.704  12.949
  650   1HB   LYS  85          2HB       LYS  85  10.128  12.003  11.484
  651   2HB   LYS  85          1HB       LYS  85  10.516  12.926  12.930
  652   1HG   LYS  85          2HG       LYS  85  12.413  13.933  11.803
  653   2HG   LYS  85          1HG       LYS  85  12.096  12.958  10.366
  654   1HD   LYS  85          2HD       LYS  85  11.234  15.223  10.089
  655   2HD   LYS  85          1HD       LYS  85   9.917  14.049  10.108
  656   1HE   LYS  85          2HE       LYS  85   9.363  16.027  11.430
  657   2HE   LYS  85          1HE       LYS  85   9.462  14.587  12.444
  658   1HZ   LYS  85          1HZ       LYS  85  10.603  16.209  13.627
  659   2HZ   LYS  85          2HZ       LYS  85  11.364  16.839  12.255
  660   3HZ   LYS  85          3HZ       LYS  85  11.847  15.341  12.874
  661    H    ALA  86           H        ALA  86   9.410  10.653  12.714
  662    HA   ALA  86           HA       ALA  86   9.779   8.760  14.897
  663   1HB   ALA  86          1HB       ALA  86   7.924  11.132  15.027
  664   2HB   ALA  86          2HB       ALA  86   9.233  10.723  16.135
  665   3HB   ALA  86          3HB       ALA  86   7.780   9.725  16.081
  666    H    GLU  87           H        GLU  87   9.007   6.955  14.014
  667    HA   GLU  87           HA       GLU  87   6.422   7.093  12.614
  668   1HB   GLU  87          2HB       GLU  87   8.238   6.742  11.001
  669   2HB   GLU  87          1HB       GLU  87   8.769   5.327  11.900
  670   1HG   GLU  87          2HG       GLU  87   6.655   4.215  11.414
  671   2HG   GLU  87          1HG       GLU  87   6.109   5.637  10.524
  672    H    ARG  88           H        ARG  88   5.198   6.409  14.391
  673    HA   ARG  88           HA       ARG  88   5.915   3.783  15.501
  674   1HB   ARG  88          2HB       ARG  88   5.541   5.709  17.071
  675   2HB   ARG  88          1HB       ARG  88   3.867   5.754  16.539
  676   1HG   ARG  88          2HG       ARG  88   5.113   3.310  17.769
  677   2HG   ARG  88          1HG       ARG  88   4.334   4.572  18.722
  678   1HD   ARG  88          2HD       ARG  88   2.255   4.214  17.458
  679   2HD   ARG  88          1HD       ARG  88   3.041   2.929  16.545
  680    HE   ARG  88           HE       ARG  88   2.546   1.538  18.270
  681   1HH1  ARG  88          1HH1      ARG  88   2.781   4.777  19.545
  682   2HH1  ARG  88          2HH1      ARG  88   2.381   4.304  21.162
  683   1HH2  ARG  88          1HH2      ARG  88   2.013   0.913  20.393
  684   2HH2  ARG  88          2HH2      ARG  88   1.945   2.110  21.644
  685    H    TRP  89           H        TRP  89   2.960   5.567  14.581
  686    HA   TRP  89           HA       TRP  89   1.926   3.048  13.464
  687   1HB   TRP  89          2HB       TRP  89   0.822   3.789  15.627
  688   2HB   TRP  89          1HB       TRP  89   0.196   5.172  14.732
  689    HD1  TRP  89           HD       TRP  89   0.324   1.503  13.506
  690    HE1  TRP  89           1HE      TRP  89  -2.078   0.754  12.972
  691    HE3  TRP  89           3HE      TRP  89  -2.193   5.677  15.053
  692    HZ2  TRP  89           2HZ      TRP  89  -4.694   1.792  13.176
  693    HZ3  TRP  89           3HZ      TRP  89  -4.645   5.716  14.849
  694    HH2  TRP  89           HH       TRP  89  -5.867   3.814  13.930
  695    H    GLY  90           H        GLY  90   2.866   6.179  12.809
  696   1HA   GLY  90          2HA       GLY  90   0.971   6.479  10.584
  697   2HA   GLY  90          1HA       GLY  90   1.944   7.762  11.274
  698    HA   PRO  91           HA       PRO  91   4.030   6.215   7.415
  699   1HB   PRO  91          2HB       PRO  91   3.586   8.768   6.167
  700   2HB   PRO  91          1HB       PRO  91   2.917   7.199   5.715
  701   1HG   PRO  91          2HG       PRO  91   1.421   9.272   6.707
  702   2HG   PRO  91          1HG       PRO  91   0.966   7.565   6.850
  703   1HD   PRO  91          2HD       PRO  91   2.290   9.350   8.863
  704   2HD   PRO  91          1HD       PRO  91   0.981   8.170   9.100
  705    H    ARG  92           H        ARG  92   4.172   9.742   8.053
  706    HA   ARG  92           HA       ARG  92   5.877  11.092   8.671
  707   1HB   ARG  92          2HB       ARG  92   6.944  10.026  10.333
  708   2HB   ARG  92          1HB       ARG  92   6.871   8.479   9.512
  709   1HG   ARG  92          2HG       ARG  92   8.853  10.535   8.636
  710   2HG   ARG  92          1HG       ARG  92   9.165   9.547  10.066
  711   1HD   ARG  92          2HD       ARG  92   8.679   7.533   8.615
  712   2HD   ARG  92          1HD       ARG  92   8.719   8.629   7.237
  713    HE   ARG  92           HE       ARG  92  11.076   9.041   8.609
  714   1HH1  ARG  92          1HH1      ARG  92   9.484   6.387   7.010
  715   2HH1  ARG  92          2HH1      ARG  92  10.962   5.606   6.552
  716   1HH2  ARG  92          1HH2      ARG  92  13.028   8.018   8.003
  717   2HH2  ARG  92          2HH2      ARG  92  12.973   6.530   7.124
  718    H    THR  93           H        THR  93   6.053   8.844   6.161
  719    HA   THR  93           HA       THR  93   7.164  10.692   4.337
  720    HB   THR  93           HB       THR  93   9.140   9.222   3.660
  721    HG1  THR  93           1HG      THR  93   8.264   7.844   5.796
  722   1HG2  THR  93          1HG2      THR  93   9.343  11.403   4.968
  723   2HG2  THR  93          2HG2      THR  93  10.710  10.289   4.982
  724   3HG2  THR  93          3HG2      THR  93   9.627  10.375   6.372
  725    H    LEU  94           H        LEU  94   8.127   7.445   3.824
  726    HA   LEU  94           HA       LEU  94   5.852   6.983   2.012
  727   1HB   LEU  94          2HB       LEU  94   7.974   7.054   0.861
  728   2HB   LEU  94          1HB       LEU  94   8.700   5.961   2.020
  729    HG   LEU  94           HG       LEU  94   7.226   4.149   1.206
  730   1HD1  LEU  94          1HD1      LEU  94   6.449   5.232  -1.289
  731   2HD1  LEU  94          2HD1      LEU  94   5.863   6.313  -0.024
  732   3HD1  LEU  94          3HD1      LEU  94   5.428   4.603   0.004
  733   1HD2  LEU  94          1HD2      LEU  94   8.301   4.692  -1.344
  734   2HD2  LEU  94          2HD2      LEU  94   8.977   3.674  -0.070
  735   3HD2  LEU  94          3HD2      LEU  94   9.411   5.382  -0.157
  736    H    ASP  95           H        ASP  95   5.008   4.833   1.926
  737    HA   ASP  95           HA       ASP  95   5.759   2.897   3.905
  738   1HB   ASP  95          2HB       ASP  95   4.407   4.421   5.286
  739   2HB   ASP  95          1HB       ASP  95   3.075   4.279   4.147
  740    H    LEU  96           H        LEU  96   6.015   1.651   2.053
  741    HA   LEU  96           HA       LEU  96   3.527   0.922   0.676
  742   1HB   LEU  96          2HB       LEU  96   4.807   0.368  -1.259
  743   2HB   LEU  96          1HB       LEU  96   5.345   1.934  -0.705
  744    HG   LEU  96           HG       LEU  96   6.834  -0.639  -0.184
  745   1HD1  LEU  96          1HD1      LEU  96   8.373   0.088  -1.899
  746   2HD1  LEU  96          2HD1      LEU  96   7.415   1.542  -2.183
  747   3HD1  LEU  96          3HD1      LEU  96   6.748  -0.042  -2.576
  748   1HD2  LEU  96          1HD2      LEU  96   8.680   1.149   0.205
  749   2HD2  LEU  96          2HD2      LEU  96   7.521   0.808   1.489
  750   3HD2  LEU  96          3HD2      LEU  96   7.320   2.238   0.477
  751    H    ASP  97           H        ASP  97   2.715  -0.740   1.772
  752    HA   ASP  97           HA       ASP  97   4.460  -3.065   2.250
  753   1HB   ASP  97          2HB       ASP  97   2.285  -1.951   4.026
  754   2HB   ASP  97          1HB       ASP  97   3.026  -3.528   4.269
  755    H    ILE  98           H        ILE  98   3.568  -5.101   1.962
  756    HA   ILE  98           HA       ILE  98   1.566  -5.331  -0.010
  757    HB   ILE  98           HB       ILE  98   3.007  -7.319   1.715
  758   1HG1  ILE  98          2HG1      ILE  98   4.185  -6.440  -0.212
  759   2HG1  ILE  98          1HG1      ILE  98   3.774  -8.127  -0.491
  760   1HG2  ILE  98          1HG2      ILE  98   1.829  -9.152   0.626
  761   2HG2  ILE  98          2HG2      ILE  98   0.788  -8.004  -0.215
  762   3HG2  ILE  98          3HG2      ILE  98   0.704  -8.146   1.542
  763   1HD1  ILE  98          1HD1      ILE  98   2.697  -5.680  -1.789
  764   2HD1  ILE  98          2HD1      ILE  98   1.689  -7.122  -1.689
  765   3HD1  ILE  98          3HD1      ILE  98   3.249  -7.191  -2.509
  766    H    MET  99           H        MET  99  -0.559  -5.468   0.129
  767    HA   MET  99           HA       MET  99  -1.766  -5.888   2.785
  768   1HB   MET  99          2HB       MET  99  -2.946  -4.269   0.523
  769   2HB   MET  99          1HB       MET  99  -3.542  -4.382   2.174
  770   1HG   MET  99          2HG       MET  99  -0.982  -3.092   1.268
  771   2HG   MET  99          1HG       MET  99  -2.432  -2.278   1.850
  772   1HE   MET  99          1HE       MET  99  -0.840  -0.908   3.769
  773   2HE   MET  99          2HE       MET  99   0.411  -1.702   2.812
  774   3HE   MET  99          3HE       MET  99   0.445  -1.811   4.571
  775    H    LEU 100           H        LEU 100  -1.523  -6.949  -0.430
  776    HA   LEU 100           HA       LEU 100  -3.305  -9.139   0.054
  777   1HB   LEU 100          2HB       LEU 100  -4.293  -6.796  -1.291
  778   2HB   LEU 100          1HB       LEU 100  -4.285  -8.145  -2.409
  779    HG   LEU 100           HG       LEU 100  -5.665  -8.057   0.274
  780   1HD1  LEU 100          1HD1      LEU 100  -7.686  -7.885  -0.867
  781   2HD1  LEU 100          2HD1      LEU 100  -6.967  -8.361  -2.404
  782   3HD1  LEU 100          3HD1      LEU 100  -6.623  -6.770  -1.727
  783   1HD2  LEU 100          1HD2      LEU 100  -5.160 -10.285   0.119
  784   2HD2  LEU 100          2HD2      LEU 100  -5.148 -10.271  -1.644
  785   3HD2  LEU 100          3HD2      LEU 100  -6.680 -10.237  -0.774
  786    H    PHE 101           H        PHE 101  -1.354 -10.311  -0.340
  787    HA   PHE 101           HA       PHE 101  -0.272 -10.089  -3.052
  788   1HB   PHE 101          2HB       PHE 101   1.186 -10.224  -0.936
  789   2HB   PHE 101          1HB       PHE 101   0.761 -11.933  -0.907
  790    HD1  PHE 101           1HD      PHE 101   2.020 -13.447  -2.119
  791    HD2  PHE 101           2HD      PHE 101   2.188  -9.320  -3.133
  792    HE1  PHE 101           1HE      PHE 101   3.823 -13.919  -3.727
  793    HE2  PHE 101           2HE      PHE 101   3.990  -9.781  -4.743
  794    HZ   PHE 101           HZ       PHE 101   4.809 -12.085  -5.042
  795    H    GLY 102           H        GLY 102  -1.938 -11.028  -4.245
  796   1HA   GLY 102          2HA       GLY 102  -3.105 -12.729  -5.246
  797   2HA   GLY 102          1HA       GLY 102  -1.751 -13.744  -4.777
  798    H    ASN 103           H        ASN 103  -2.571 -15.545  -3.953
  799    HA   ASN 103           HA       ASN 103  -4.788 -15.341  -2.011
  800   1HB   ASN 103          2HB       ASN 103  -5.294 -17.690  -2.602
  801   2HB   ASN 103          1HB       ASN 103  -5.418 -16.608  -3.989
  802   1HD2  ASN 103          1HD2      ASN 103  -3.753 -19.240  -2.546
  803   2HD2  ASN 103          2HD2      ASN 103  -2.762 -19.636  -3.900
  804    H    GLU 104           H        GLU 104  -1.624 -15.427  -1.833
  805    HA   GLU 104           HA       GLU 104  -1.338 -17.733  -0.108
  806   1HB   GLU 104          2HB       GLU 104   1.010 -16.578   0.138
  807   2HB   GLU 104          1HB       GLU 104   0.610 -17.574  -1.240
  808   1HG   GLU 104          2HG       GLU 104   0.107 -14.643  -1.344
  809   2HG   GLU 104          1HG       GLU 104   1.751 -15.245  -1.543
  810    H    VAL 105           H        VAL 105  -0.916 -17.688   2.021
  811    HA   VAL 105           HA       VAL 105  -1.256 -15.109   3.391
  812    HB   VAL 105           HB       VAL 105  -2.326 -17.823   4.143
  813   1HG1  VAL 105          1HG1      VAL 105  -2.997 -16.986   6.258
  814   2HG1  VAL 105          2HG1      VAL 105  -2.562 -15.332   5.825
  815   3HG1  VAL 105          3HG1      VAL 105  -1.301 -16.536   6.084
  816   1HG2  VAL 105          1HG2      VAL 105  -3.679 -15.169   3.677
  817   2HG2  VAL 105          2HG2      VAL 105  -4.484 -16.674   4.127
  818   3HG2  VAL 105          3HG2      VAL 105  -3.675 -16.538   2.567
  819    H    ILE 106           H        ILE 106   0.994 -14.871   3.424
  820    HA   ILE 106           HA       ILE 106   2.334 -16.567   5.413
  821    HB   ILE 106           HB       ILE 106   3.680 -15.406   2.972
  822   1HG1  ILE 106          2HG1      ILE 106   2.986 -18.304   3.495
  823   2HG1  ILE 106          1HG1      ILE 106   2.064 -17.244   2.430
  824   1HG2  ILE 106          1HG2      ILE 106   4.666 -17.373   5.038
  825   2HG2  ILE 106          2HG2      ILE 106   5.115 -15.669   4.943
  826   3HG2  ILE 106          3HG2      ILE 106   5.574 -16.776   3.649
  827   1HD1  ILE 106          1HD1      ILE 106   3.407 -18.265   0.909
  828   2HD1  ILE 106          2HD1      ILE 106   4.738 -18.465   2.049
  829   3HD1  ILE 106          3HD1      ILE 106   4.428 -16.886   1.323
  830    H    ASN 107           H        ASN 107   2.324 -15.224   7.078
  831    HA   ASN 107           HA       ASN 107   3.093 -12.433   6.743
  832   1HB   ASN 107          2HB       ASN 107   2.465 -13.698   9.392
  833   2HB   ASN 107          1HB       ASN 107   2.168 -12.048   8.849
  834   1HD2  ASN 107          1HD2      ASN 107   0.234 -11.550   8.050
  835   2HD2  ASN 107          2HD2      ASN 107  -1.037 -12.674   7.740
  836    H    THR 108           H        THR 108   5.238 -12.221   6.553
  837    HA   THR 108           HA       THR 108   6.975 -13.998   8.078
  838    HB   THR 108           HB       THR 108   8.111 -11.924   6.282
  839    HG1  THR 108           1HG      THR 108   6.750 -14.207   5.297
  840   1HG2  THR 108          1HG2      THR 108   9.810 -13.342   6.136
  841   2HG2  THR 108          2HG2      THR 108   8.737 -14.695   5.768
  842   3HG2  THR 108          3HG2      THR 108   9.044 -14.242   7.444
  843    H    GLU 109           H        GLU 109   9.227 -12.169   8.081
  844    HA   GLU 109           HA       GLU 109   8.960 -11.108  10.667
  845   1HB   GLU 109          2HB       GLU 109  10.980 -10.396   8.529
  846   2HB   GLU 109          1HB       GLU 109  11.134 -10.031  10.243
  847   1HG   GLU 109          2HG       GLU 109  11.198 -12.404  10.759
  848   2HG   GLU 109          1HG       GLU 109  10.992 -12.792   9.053
  849    H    ARG 110           H        ARG 110  10.038  -8.964   8.106
  850    HA   ARG 110           HA       ARG 110   8.426  -6.820   9.174
  851   1HB   ARG 110          2HB       ARG 110  10.135  -6.838   6.672
  852   2HB   ARG 110          1HB       ARG 110   9.516  -5.423   7.510
  853   1HG   ARG 110          2HG       ARG 110  11.516  -7.375   8.631
  854   2HG   ARG 110          1HG       ARG 110  11.891  -5.789   7.954
  855   1HD   ARG 110          2HD       ARG 110  10.579  -4.711   9.685
  856   2HD   ARG 110          1HD       ARG 110  10.101  -6.280  10.334
  857    HE   ARG 110           HE       ARG 110  12.041  -6.268  11.514
  858   1HH1  ARG 110          1HH1      ARG 110  12.513  -4.300   8.672
  859   2HH1  ARG 110          2HH1      ARG 110  14.146  -3.888   9.076
  860   1HH2  ARG 110          1HH2      ARG 110  14.186  -5.728  12.046
  861   2HH2  ARG 110          2HH2      ARG 110  15.096  -4.699  10.990
  862    H    LEU 111           H        LEU 111   8.197  -9.267   6.873
  863    HA   LEU 111           HA       LEU 111   6.242  -7.977   5.185
  864   1HB   LEU 111          2HB       LEU 111   7.790  -9.577   4.175
  865   2HB   LEU 111          1HB       LEU 111   7.271 -10.810   5.298
  866    HG   LEU 111           HG       LEU 111   6.395 -10.935   2.913
  867   1HD1  LEU 111          1HD1      LEU 111   3.926 -11.193   4.071
  868   2HD1  LEU 111          2HD1      LEU 111   5.036 -11.393   5.426
  869   3HD1  LEU 111          3HD1      LEU 111   5.182 -12.428   4.007
  870   1HD2  LEU 111          1HD2      LEU 111   4.129  -9.625   2.827
  871   2HD2  LEU 111          2HD2      LEU 111   5.632  -8.885   2.276
  872   3HD2  LEU 111          3HD2      LEU 111   4.995  -8.501   3.875
  873    H    THR 112           H        THR 112   4.116  -8.287   5.180
  874    HA   THR 112           HA       THR 112   2.906 -10.331   6.855
  875    HB   THR 112           HB       THR 112   1.720  -7.565   7.005
  876    HG1  THR 112           1HG      THR 112   2.997  -7.852   9.215
  877   1HG2  THR 112          1HG2      THR 112   1.615 -10.025   8.705
  878   2HG2  THR 112          2HG2      THR 112   0.293  -9.161   7.918
  879   3HG2  THR 112          3HG2      THR 112   1.114  -8.445   9.304
  880    H    VAL 113           H        VAL 113   1.256 -11.278   5.717
  881    HA   VAL 113           HA       VAL 113   0.680 -10.126   3.141
  882    HB   VAL 113           HB       VAL 113  -0.856 -12.188   2.939
  883   1HG1  VAL 113          1HG1      VAL 113   1.048 -13.675   2.516
  884   2HG1  VAL 113          2HG1      VAL 113   2.102 -12.500   3.306
  885   3HG1  VAL 113          3HG1      VAL 113   1.246 -12.066   1.825
  886   1HG2  VAL 113          1HG2      VAL 113  -0.931 -13.776   4.520
  887   2HG2  VAL 113          2HG2      VAL 113  -0.598 -12.407   5.583
  888   3HG2  VAL 113          3HG2      VAL 113   0.717 -13.466   5.068
  889    HA   PRO 114           HA       PRO 114  -3.540  -8.414   3.336
  890   1HB   PRO 114          2HB       PRO 114  -4.557 -11.111   4.183
  891   2HB   PRO 114          1HB       PRO 114  -5.310  -9.916   3.128
  892   1HG   PRO 114          2HG       PRO 114  -3.773 -12.086   2.268
  893   2HG   PRO 114          1HG       PRO 114  -4.197 -10.668   1.296
  894   1HD   PRO 114          2HD       PRO 114  -1.603 -11.415   2.104
  895   2HD   PRO 114          1HD       PRO 114  -2.077  -9.836   1.441
  896    H    HIS 115           H        HIS 115  -2.650  -7.259   5.084
  897    HA   HIS 115           HA       HIS 115  -2.713  -8.290   7.747
  898   1HB   HIS 115          2HB       HIS 115  -0.932  -6.811   7.014
  899   2HB   HIS 115          1HB       HIS 115  -2.094  -5.554   6.631
  900    HD1  HIS 115           1HD      HIS 115  -1.940  -7.562   9.844
  901    HD2  HIS 115           2HD      HIS 115  -1.370  -3.685   8.461
  902    HE1  HIS 115           1HE      HIS 115  -1.586  -6.160  11.904
  903    HE2  HIS 115           2HE      HIS 115  -1.186  -3.826  11.039
  904    H    TYR 116           H        TYR 116  -3.945  -7.651   9.430
  905    HA   TYR 116           HA       TYR 116  -6.635  -6.846   8.816
  906   1HB   TYR 116          2HB       TYR 116  -5.235  -7.274  11.473
  907   2HB   TYR 116          1HB       TYR 116  -6.961  -6.973  11.293
  908    HD1  TYR 116           1HD      TYR 116  -5.244  -9.026   8.819
  909    HD2  TYR 116           2HD      TYR 116  -7.461  -9.077  12.449
  910    HE1  TYR 116           1HE      TYR 116  -5.627 -11.440   8.538
  911    HE2  TYR 116           2HE      TYR 116  -7.856 -11.497  12.177
  912    HH   TYR 116           HH       TYR 116  -6.423 -13.451  10.796
  913    H    ASP 117           H        ASP 117  -6.484  -4.825   7.937
  914    HA   ASP 117           HA       ASP 117  -6.429  -2.607   9.707
  915   1HB   ASP 117          2HB       ASP 117  -3.977  -3.271   9.514
  916   2HB   ASP 117          1HB       ASP 117  -4.086  -2.854   7.815
  917    H    MET 118           H        MET 118  -5.410  -3.363   6.410
  918    HA   MET 118           HA       MET 118  -6.321  -1.160   5.053
  919   1HB   MET 118          2HB       MET 118  -6.266  -2.521   3.069
  920   2HB   MET 118          1HB       MET 118  -4.924  -2.970   4.117
  921   1HG   MET 118          2HG       MET 118  -6.089  -4.943   4.849
  922   2HG   MET 118          1HG       MET 118  -7.529  -4.472   3.953
  923   1HE   MET 118          1HE       MET 118  -6.443  -7.249   3.772
  924   2HE   MET 118          2HE       MET 118  -6.136  -7.642   2.079
  925   3HE   MET 118          3HE       MET 118  -7.648  -6.862   2.544
  926    H    LYS 119           H        LYS 119  -8.085  -3.988   5.987
  927    HA   LYS 119           HA       LYS 119 -10.417  -3.475   4.458
  928   1HB   LYS 119          2HB       LYS 119 -11.403  -5.242   6.009
  929   2HB   LYS 119          1HB       LYS 119 -10.022  -5.707   5.018
  930   1HG   LYS 119          2HG       LYS 119  -8.541  -5.354   6.939
  931   2HG   LYS 119          1HG       LYS 119  -9.943  -4.956   7.930
  932   1HD   LYS 119          2HD       LYS 119  -9.388  -7.245   8.346
  933   2HD   LYS 119          1HD       LYS 119 -10.867  -7.221   7.386
  934   1HE   LYS 119          2HE       LYS 119  -9.272  -8.932   6.617
  935   2HE   LYS 119          1HE       LYS 119  -9.611  -7.730   5.373
  936   1HZ   LYS 119          1HZ       LYS 119  -7.226  -8.332   5.616
  937   2HZ   LYS 119          2HZ       LYS 119  -7.240  -7.631   7.155
  938   3HZ   LYS 119          3HZ       LYS 119  -7.535  -6.677   5.789
  939    H    ASN 120           H        ASN 120  -9.581  -2.993   7.856
  940    HA   ASN 120           HA       ASN 120 -12.068  -1.559   8.342
  941   1HB   ASN 120          2HB       ASN 120 -11.012  -1.202  10.630
  942   2HB   ASN 120          1HB       ASN 120 -11.290  -2.885  10.189
  943   1HD2  ASN 120          1HD2      ASN 120  -9.066  -0.710  11.366
  944   2HD2  ASN 120          2HD2      ASN 120  -7.634  -1.650  11.148
  945    H    ARG 121           H        ARG 121 -10.468  -0.642   6.280
  946    HA   ARG 121           HA       ARG 121  -9.979   2.093   7.034
  947   1HB   ARG 121          2HB       ARG 121  -7.889   1.177   7.695
  948   2HB   ARG 121          1HB       ARG 121  -7.808   0.142   6.286
  949   1HG   ARG 121          2HG       ARG 121  -6.218   1.966   6.223
  950   2HG   ARG 121          1HG       ARG 121  -7.372   2.031   4.881
  951   1HD   ARG 121          2HD       ARG 121  -6.993   4.255   5.830
  952   2HD   ARG 121          1HD       ARG 121  -8.658   3.736   6.084
  953    HE   ARG 121           HE       ARG 121  -8.281   3.972   8.310
  954   1HH1  ARG 121          1HH1      ARG 121  -5.222   3.311   6.770
  955   2HH1  ARG 121          2HH1      ARG 121  -4.322   3.366   8.248
  956   1HH2  ARG 121          1HH2      ARG 121  -7.102   4.037  10.256
  957   2HH2  ARG 121          2HH2      ARG 121  -5.391   3.777  10.228
  958    H    GLY 122           H        GLY 122  -9.712   3.475   5.134
  959   1HA   GLY 122          2HA       GLY 122 -10.729   2.204   2.668
  960   2HA   GLY 122          1HA       GLY 122 -10.933   3.892   3.103
  961    H    PHE 123           H        PHE 123  -8.004   3.628   4.049
  962    HA   PHE 123           HA       PHE 123  -6.798   4.904   1.862
  963   1HB   PHE 123          2HB       PHE 123  -5.833   5.375   3.936
  964   2HB   PHE 123          1HB       PHE 123  -5.840   3.691   4.435
  965    HD1  PHE 123           1HD      PHE 123  -3.750   2.792   4.709
  966    HD2  PHE 123           2HD      PHE 123  -4.355   5.681   1.646
  967    HE1  PHE 123           1HE      PHE 123  -1.379   2.615   4.079
  968    HE2  PHE 123           2HE      PHE 123  -1.986   5.509   1.010
  969    HZ   PHE 123           HZ       PHE 123  -0.490   3.929   2.248
  970    H    MET 124           H        MET 124  -6.693   1.628   3.066
  971    HA   MET 124           HA       MET 124  -4.999   0.787   0.854
  972   1HB   MET 124          2HB       MET 124  -6.073  -0.797   3.184
  973   2HB   MET 124          1HB       MET 124  -4.868  -1.348   2.025
  974   1HG   MET 124          2HG       MET 124  -3.345   0.413   2.744
  975   2HG   MET 124          1HG       MET 124  -4.551   0.995   3.889
  976   1HE   MET 124          1HE       MET 124  -2.824   1.042   5.608
  977   2HE   MET 124          2HE       MET 124  -1.457   0.123   4.977
  978   3HE   MET 124          3HE       MET 124  -2.206  -0.345   6.503
  979    H    LEU 125           H        LEU 125  -8.341   0.417   1.879
  980    HA   LEU 125           HA       LEU 125  -8.947  -1.687   0.020
  981   1HB   LEU 125          2HB       LEU 125 -10.557   0.058   1.830
  982   2HB   LEU 125          1HB       LEU 125 -11.368  -0.868   0.585
  983    HG   LEU 125           HG       LEU 125  -9.708  -1.978   2.835
  984   1HD1  LEU 125          1HD1      LEU 125 -12.660  -2.075   2.275
  985   2HD1  LEU 125          2HD1      LEU 125 -11.868  -1.151   3.552
  986   3HD1  LEU 125          3HD1      LEU 125 -11.837  -2.914   3.590
  987   1HD2  LEU 125          1HD2      LEU 125 -11.210  -3.424   0.661
  988   2HD2  LEU 125          2HD2      LEU 125 -10.384  -4.173   2.025
  989   3HD2  LEU 125          3HD2      LEU 125  -9.456  -3.313   0.797
  990    H    TRP 126           H        TRP 126 -10.185   1.631   0.220
  991    HA   TRP 126           HA       TRP 126 -11.619   1.725  -2.062
  992   1HB   TRP 126          2HB       TRP 126 -11.559   3.466  -0.350
  993   2HB   TRP 126          1HB       TRP 126  -9.983   3.984  -0.932
  994    HD1  TRP 126           HD       TRP 126 -10.569   6.314  -1.775
  995    HE1  TRP 126           1HE      TRP 126 -12.108   7.261  -3.616
  996    HE3  TRP 126           3HE      TRP 126 -13.148   2.062  -2.932
  997    HZ2  TRP 126           2HZ      TRP 126 -14.150   6.319  -5.324
  998    HZ3  TRP 126           3HZ      TRP 126 -14.880   2.166  -4.674
  999    HH2  TRP 126           HH       TRP 126 -15.369   4.253  -5.846
 1000    HA   PRO 127           HA       PRO 127  -7.890   3.334  -4.756
 1001   1HB   PRO 127          2HB       PRO 127  -5.539   2.368  -3.250
 1002   2HB   PRO 127          1HB       PRO 127  -5.800   3.918  -4.057
 1003   1HG   PRO 127          2HG       PRO 127  -5.816   3.745  -1.403
 1004   2HG   PRO 127          1HG       PRO 127  -6.948   4.812  -2.260
 1005   1HD   PRO 127          2HD       PRO 127  -7.442   2.098  -1.068
 1006   2HD   PRO 127          1HD       PRO 127  -8.456   3.560  -0.991
 1007    H    LEU 128           H        LEU 128  -7.132   0.434  -2.850
 1008    HA   LEU 128           HA       LEU 128  -5.899  -1.103  -4.809
 1009   1HB   LEU 128          2HB       LEU 128  -6.724  -1.462  -2.202
 1010   2HB   LEU 128          1HB       LEU 128  -7.725  -2.590  -3.083
 1011    HG   LEU 128           HG       LEU 128  -5.680  -3.614  -4.030
 1012   1HD1  LEU 128          1HD1      LEU 128  -4.268  -1.558  -3.695
 1013   2HD1  LEU 128          2HD1      LEU 128  -3.529  -3.065  -3.155
 1014   3HD1  LEU 128          3HD1      LEU 128  -4.224  -1.952  -1.977
 1015   1HD2  LEU 128          1HD2      LEU 128  -6.387  -3.560  -1.148
 1016   2HD2  LEU 128          2HD2      LEU 128  -4.897  -4.385  -1.604
 1017   3HD2  LEU 128          3HD2      LEU 128  -6.435  -4.892  -2.305
 1018    H    PHE 129           H        PHE 129  -9.244  -0.432  -4.206
 1019    HA   PHE 129           HA       PHE 129 -10.541  -2.376  -5.726
 1020   1HB   PHE 129          2HB       PHE 129 -11.706  -0.825  -4.225
 1021   2HB   PHE 129          1HB       PHE 129 -11.295   0.528  -5.270
 1022    HD1  PHE 129           1HD      PHE 129 -12.992   1.327  -6.569
 1023    HD2  PHE 129           2HD      PHE 129 -12.932  -2.818  -5.611
 1024    HE1  PHE 129           1HE      PHE 129 -15.103   1.017  -7.794
 1025    HE2  PHE 129           2HE      PHE 129 -15.039  -3.138  -6.838
 1026    HZ   PHE 129           HZ       PHE 129 -16.129  -1.218  -7.931
 1027    H    GLU 130           H        GLU 130  -8.448   0.011  -6.723
 1028    HA   GLU 130           HA       GLU 130  -9.522   0.112  -9.449
 1029   1HB   GLU 130          2HB       GLU 130  -9.172   2.282  -8.427
 1030   2HB   GLU 130          1HB       GLU 130  -7.499   1.879  -8.074
 1031   1HG   GLU 130          2HG       GLU 130  -7.653   3.351  -9.990
 1032   2HG   GLU 130          1HG       GLU 130  -7.009   1.778 -10.459
 1033    H    ILE 131           H        ILE 131  -6.605  -0.705  -7.627
 1034    HA   ILE 131           HA       ILE 131  -5.002  -1.134  -9.940
 1035    HB   ILE 131           HB       ILE 131  -3.310  -1.857  -8.519
 1036   1HG1  ILE 131          2HG1      ILE 131  -5.350  -2.514  -6.373
 1037   2HG1  ILE 131          1HG1      ILE 131  -4.625  -3.709  -7.441
 1038   1HG2  ILE 131          1HG2      ILE 131  -5.158   0.079  -7.195
 1039   2HG2  ILE 131          2HG2      ILE 131  -3.612   0.367  -7.989
 1040   3HG2  ILE 131          3HG2      ILE 131  -3.657  -0.398  -6.403
 1041   1HD1  ILE 131          1HD1      ILE 131  -3.106  -1.964  -5.526
 1042   2HD1  ILE 131          2HD1      ILE 131  -2.451  -3.263  -6.524
 1043   3HD1  ILE 131          3HD1      ILE 131  -3.586  -3.635  -5.227
 1044    H    ALA 132           H        ALA 132  -7.183  -3.088  -8.101
 1045    HA   ALA 132           HA       ALA 132  -7.759  -4.918 -10.027
 1046   1HB   ALA 132          1HB       ALA 132  -6.478  -6.950  -9.361
 1047   2HB   ALA 132          2HB       ALA 132  -5.469  -5.923  -8.340
 1048   3HB   ALA 132          3HB       ALA 132  -5.485  -5.688 -10.089
 1049    HA   PRO 133           HA       PRO 133 -10.112  -5.576  -6.179
 1050   1HB   PRO 133          2HB       PRO 133 -12.454  -4.652  -6.923
 1051   2HB   PRO 133          1HB       PRO 133 -11.101  -3.529  -6.663
 1052   1HG   PRO 133          2HG       PRO 133 -12.206  -4.603  -9.234
 1053   2HG   PRO 133          1HG       PRO 133 -11.698  -2.952  -8.837
 1054   1HD   PRO 133          2HD       PRO 133 -10.131  -4.866 -10.145
 1055   2HD   PRO 133          1HD       PRO 133  -9.526  -3.391  -9.367
 1056    H    GLU 134           H        GLU 134  -9.704  -7.293  -8.783
 1057    HA   GLU 134           HA       GLU 134 -12.134  -8.937  -8.537
 1058   1HB   GLU 134          2HB       GLU 134 -11.367 -10.043 -10.607
 1059   2HB   GLU 134          1HB       GLU 134 -11.558  -8.310 -10.832
 1060   1HG   GLU 134          2HG       GLU 134  -9.151  -8.008 -10.616
 1061   2HG   GLU 134          1HG       GLU 134  -8.951  -9.741 -10.367
 1062    H    LEU 135           H        LEU 135  -9.999  -8.675  -6.626
 1063    HA   LEU 135           HA       LEU 135  -8.562 -11.203  -6.710
 1064   1HB   LEU 135          2HB       LEU 135  -7.612  -8.890  -6.124
 1065   2HB   LEU 135          1HB       LEU 135  -8.437  -9.077  -4.593
 1066    HG   LEU 135           HG       LEU 135  -5.995  -9.622  -4.614
 1067   1HD1  LEU 135          1HD1      LEU 135  -6.292 -11.746  -3.288
 1068   2HD1  LEU 135          2HD1      LEU 135  -8.002 -11.671  -3.711
 1069   3HD1  LEU 135          3HD1      LEU 135  -7.271 -10.375  -2.767
 1070   1HD2  LEU 135          1HD2      LEU 135  -6.935 -12.033  -6.151
 1071   2HD2  LEU 135          2HD2      LEU 135  -5.334 -11.831  -5.440
 1072   3HD2  LEU 135          3HD2      LEU 135  -5.863 -10.763  -6.742
 1073    H    VAL 136           H        VAL 136  -8.782 -12.809  -5.189
 1074    HA   VAL 136           HA       VAL 136 -10.840 -12.487  -3.131
 1075    HB   VAL 136           HB       VAL 136 -12.042 -13.566  -4.897
 1076   1HG1  VAL 136          1HG1      VAL 136 -10.141 -14.354  -6.213
 1077   2HG1  VAL 136          2HG1      VAL 136 -11.298 -15.654  -5.935
 1078   3HG1  VAL 136          3HG1      VAL 136  -9.805 -15.590  -5.001
 1079   1HG2  VAL 136          1HG2      VAL 136 -12.047 -16.042  -3.766
 1080   2HG2  VAL 136          2HG2      VAL 136 -12.926 -14.646  -3.142
 1081   3HG2  VAL 136          3HG2      VAL 136 -11.348 -15.063  -2.475
 1082    H    PHE 137           H        PHE 137 -10.522 -13.769  -1.277
 1083    HA   PHE 137           HA       PHE 137  -7.796 -14.658  -0.896
 1084   1HB   PHE 137          2HB       PHE 137 -10.150 -14.541   1.013
 1085   2HB   PHE 137          1HB       PHE 137  -8.508 -14.971   1.470
 1086    HD1  PHE 137           1HD      PHE 137  -9.826 -12.238  -0.699
 1087    HD2  PHE 137           2HD      PHE 137  -7.700 -13.276   2.840
 1088    HE1  PHE 137           1HE      PHE 137  -9.329  -9.865  -0.305
 1089    HE2  PHE 137           2HE      PHE 137  -7.201 -10.903   3.240
 1090    HZ   PHE 137           HZ       PHE 137  -8.014  -9.204   1.721
 1091    HA   PRO 138           HA       PRO 138  -8.189 -19.039  -1.356
 1092   1HB   PRO 138          2HB       PRO 138  -7.598 -19.287   1.565
 1093   2HB   PRO 138          1HB       PRO 138  -6.861 -20.130   0.198
 1094   1HG   PRO 138          2HG       PRO 138  -5.576 -18.143   1.394
 1095   2HG   PRO 138          1HG       PRO 138  -5.537 -18.307  -0.373
 1096   1HD   PRO 138          2HD       PRO 138  -7.064 -16.384   1.322
 1097   2HD   PRO 138          1HD       PRO 138  -6.332 -16.147  -0.280
 1098    H    ASP 139           H        ASP 139  -9.906 -17.327   1.077
 1099    HA   ASP 139           HA       ASP 139 -11.740 -19.482   1.710
 1100   1HB   ASP 139          2HB       ASP 139 -11.390 -16.641   2.609
 1101   2HB   ASP 139          1HB       ASP 139 -12.875 -17.505   2.972
 1102    H    GLY 140           H        GLY 140 -12.215 -16.137   0.607
 1103   1HA   GLY 140          2HA       GLY 140 -13.619 -16.606  -1.726
 1104   2HA   GLY 140          1HA       GLY 140 -14.816 -16.646  -0.438
 1105    H    GLU 141           H        GLU 141 -12.987 -14.700   1.043
 1106    HA   GLU 141           HA       GLU 141 -14.346 -12.348   0.625
 1107   1HB   GLU 141          2HB       GLU 141 -12.871 -12.885   2.556
 1108   2HB   GLU 141          1HB       GLU 141 -11.474 -12.647   1.513
 1109   1HG   GLU 141          2HG       GLU 141 -12.015 -10.323   1.239
 1110   2HG   GLU 141          1HG       GLU 141 -13.515 -10.535   2.140
 1111    H    MET 142           H        MET 142 -13.808 -10.378  -0.455
 1112    HA   MET 142           HA       MET 142 -11.697 -10.496  -2.471
 1113   1HB   MET 142          2HB       MET 142 -14.595  -9.927  -3.115
 1114   2HB   MET 142          1HB       MET 142 -13.254  -9.717  -4.234
 1115   1HG   MET 142          2HG       MET 142 -12.789 -12.111  -4.123
 1116   2HG   MET 142          1HG       MET 142 -14.136 -12.318  -3.006
 1117   1HE   MET 142          1HE       MET 142 -14.258 -13.901  -6.407
 1118   2HE   MET 142          2HE       MET 142 -15.800 -14.101  -5.576
 1119   3HE   MET 142          3HE       MET 142 -14.291 -14.164  -4.663
 1120    H    LEU 143           H        LEU 143 -11.142  -8.398  -3.357
 1121    HA   LEU 143           HA       LEU 143 -10.997  -6.337  -1.527
 1122   1HB   LEU 143          2HB       LEU 143  -9.575  -6.547  -3.509
 1123   2HB   LEU 143          1HB       LEU 143 -10.949  -6.257  -4.551
 1124    HG   LEU 143           HG       LEU 143  -9.837  -4.186  -2.647
 1125   1HD1  LEU 143          1HD1      LEU 143  -8.256  -3.695  -4.097
 1126   2HD1  LEU 143          2HD1      LEU 143  -9.405  -3.692  -5.434
 1127   3HD1  LEU 143          3HD1      LEU 143  -8.638  -5.199  -4.933
 1128   1HD2  LEU 143          1HD2      LEU 143 -12.271  -4.295  -3.941
 1129   2HD2  LEU 143          2HD2      LEU 143 -11.269  -3.316  -5.008
 1130   3HD2  LEU 143          3HD2      LEU 143 -11.481  -2.846  -3.321
 1131    H    ARG 144           H        ARG 144 -13.434  -7.110  -3.922
 1132    HA   ARG 144           HA       ARG 144 -14.926  -4.678  -3.518
 1133   1HB   ARG 144          2HB       ARG 144 -14.918  -5.973  -5.670
 1134   2HB   ARG 144          1HB       ARG 144 -15.831  -7.236  -4.859
 1135   1HG   ARG 144          2HG       ARG 144 -16.814  -4.402  -4.992
 1136   2HG   ARG 144          1HG       ARG 144 -17.124  -5.562  -6.283
 1137   1HD   ARG 144          2HD       ARG 144 -17.858  -6.022  -3.396
 1138   2HD   ARG 144          1HD       ARG 144 -18.957  -5.339  -4.587
 1139    HE   ARG 144           HE       ARG 144 -17.944  -7.753  -5.586
 1140   1HH1  ARG 144          1HH1      ARG 144 -20.033  -6.596  -3.047
 1141   2HH1  ARG 144          2HH1      ARG 144 -20.994  -8.037  -3.009
 1142   1HH2  ARG 144          1HH2      ARG 144 -19.207  -9.648  -5.544
 1143   2HH2  ARG 144          2HH2      ARG 144 -20.525  -9.772  -4.426
 1144    H    GLN 145           H        GLN 145 -15.313  -8.094  -2.637
 1145    HA   GLN 145           HA       GLN 145 -17.712  -7.950  -1.271
 1146   1HB   GLN 145          2HB       GLN 145 -16.681 -10.080  -1.734
 1147   2HB   GLN 145          1HB       GLN 145 -15.280  -9.672  -0.757
 1148   1HG   GLN 145          2HG       GLN 145 -18.004  -9.810   0.470
 1149   2HG   GLN 145          1HG       GLN 145 -17.062 -11.271   0.193
 1150   1HE2  GLN 145          1HE2      GLN 145 -14.765  -9.069   0.676
 1151   2HE2  GLN 145          2HE2      GLN 145 -14.574  -9.170   2.388
 1152    H    ILE 146           H        ILE 146 -14.502  -6.996  -0.276
 1153    HA   ILE 146           HA       ILE 146 -15.122  -6.636   2.483
 1154    HB   ILE 146           HB       ILE 146 -12.882  -5.403   0.869
 1155   1HG1  ILE 146          2HG1      ILE 146 -12.862  -7.861   2.636
 1156   2HG1  ILE 146          1HG1      ILE 146 -12.902  -7.897   0.877
 1157   1HG2  ILE 146          1HG2      ILE 146 -13.556  -4.364   3.113
 1158   2HG2  ILE 146          2HG2      ILE 146 -11.862  -4.793   2.880
 1159   3HG2  ILE 146          3HG2      ILE 146 -12.914  -5.839   3.837
 1160   1HD1  ILE 146          1HD1      ILE 146 -10.657  -7.864   2.518
 1161   2HD1  ILE 146          2HD1      ILE 146 -10.734  -6.256   1.801
 1162   3HD1  ILE 146          3HD1      ILE 146 -10.704  -7.683   0.766
 1163    H    LEU 147           H        LEU 147 -14.833  -4.432  -0.302
 1164    HA   LEU 147           HA       LEU 147 -15.498  -2.108   1.172
 1165   1HB   LEU 147          2HB       LEU 147 -15.528  -2.741  -1.770
 1166   2HB   LEU 147          1HB       LEU 147 -16.053  -1.185  -1.155
 1167    HG   LEU 147           HG       LEU 147 -13.297  -2.373  -0.821
 1168   1HD1  LEU 147          1HD1      LEU 147 -12.885  -1.499  -2.819
 1169   2HD1  LEU 147          2HD1      LEU 147 -13.216   0.095  -2.139
 1170   3HD1  LEU 147          3HD1      LEU 147 -14.510  -0.822  -2.910
 1171   1HD2  LEU 147          1HD2      LEU 147 -13.031   0.213  -0.154
 1172   2HD2  LEU 147          2HD2      LEU 147 -13.340  -1.064   1.023
 1173   3HD2  LEU 147          3HD2      LEU 147 -14.672  -0.076   0.426
 1174    H    HIS 148           H        HIS 148 -17.357  -4.731   0.095
 1175    HA   HIS 148           HA       HIS 148 -19.837  -3.355  -0.292
 1176   1HB   HIS 148          2HB       HIS 148 -19.420  -5.566  -1.298
 1177   2HB   HIS 148          1HB       HIS 148 -19.312  -6.277   0.308
 1178    HD1  HIS 148           1HD      HIS 148 -21.907  -4.149  -1.507
 1179    HD2  HIS 148           2HD      HIS 148 -21.629  -7.506   0.926
 1180    HE1  HIS 148           1HE      HIS 148 -24.267  -4.963  -1.214
 1181    HE2  HIS 148           2HE      HIS 148 -24.083  -6.944   0.332
 1182    H    THR 149           H        THR 149 -18.143  -4.809   2.383
 1183    HA   THR 149           HA       THR 149 -20.393  -4.311   4.189
 1184    HB   THR 149           HB       THR 149 -17.757  -5.722   4.674
 1185    HG1  THR 149           1HG      THR 149 -20.097  -7.140   4.817
 1186   1HG2  THR 149          1HG2      THR 149 -19.314  -6.680   6.596
 1187   2HG2  THR 149          2HG2      THR 149 -20.009  -5.065   6.473
 1188   3HG2  THR 149          3HG2      THR 149 -18.291  -5.261   6.821
 1189    H    ARG 150           H        ARG 150 -17.347  -3.066   3.217
 1190    HA   ARG 150           HA       ARG 150 -17.085  -1.378   5.588
 1191   1HB   ARG 150          2HB       ARG 150 -15.295  -1.586   3.159
 1192   2HB   ARG 150          1HB       ARG 150 -14.944  -0.687   4.624
 1193   1HG   ARG 150          2HG       ARG 150 -15.251  -3.668   4.426
 1194   2HG   ARG 150          1HG       ARG 150 -13.726  -2.796   4.520
 1195   1HD   ARG 150          2HD       ARG 150 -14.157  -3.575   6.704
 1196   2HD   ARG 150          1HD       ARG 150 -14.551  -1.856   6.718
 1197    HE   ARG 150           HE       ARG 150 -16.885  -3.282   6.146
 1198   1HH1  ARG 150          1HH1      ARG 150 -14.648  -2.824   8.777
 1199   2HH1  ARG 150          2HH1      ARG 150 -15.833  -3.117  10.006
 1200   1HH2  ARG 150          1HH2      ARG 150 -18.451  -3.667   7.753
 1201   2HH2  ARG 150          2HH2      ARG 150 -17.996  -3.597   9.423
 1202    H    ALA 151           H        ALA 151 -16.769  -0.823   2.087
 1203    HA   ALA 151           HA       ALA 151 -17.141   1.072   0.846
 1204   1HB   ALA 151          1HB       ALA 151 -19.257   0.466   0.379
 1205   2HB   ALA 151          2HB       ALA 151 -19.683   1.823   1.423
 1206   3HB   ALA 151          3HB       ALA 151 -19.657   0.183   2.073
 1207    H    PHE 152           H        PHE 152 -15.524   2.071   2.537
 1208    HA   PHE 152           HA       PHE 152 -16.707   3.941   4.317
 1209   1HB   PHE 152          2HB       PHE 152 -13.880   3.484   3.458
 1210   2HB   PHE 152          1HB       PHE 152 -14.306   4.851   4.479
 1211    HD1  PHE 152           1HD      PHE 152 -14.098   4.578   6.753
 1212    HD2  PHE 152           2HD      PHE 152 -14.829   1.166   4.322
 1213    HE1  PHE 152           1HE      PHE 152 -13.912   3.126   8.735
 1214    HE2  PHE 152           2HE      PHE 152 -14.651  -0.290   6.296
 1215    HZ   PHE 152           HZ       PHE 152 -14.196   0.729   8.535
 1216    H    ASP 153           H        ASP 153 -16.197   3.904   1.180
 1217    HA   ASP 153           HA       ASP 153 -16.047   5.463  -0.531
 1218   1HB   ASP 153          2HB       ASP 153 -18.229   6.583   1.236
 1219   2HB   ASP 153          1HB       ASP 153 -17.941   7.092  -0.423
 1220    H    LYS 154           H        LYS 154 -14.285   6.008   1.824
 1221    HA   LYS 154           HA       LYS 154 -14.201   8.871   2.102
 1222   1HB   LYS 154          2HB       LYS 154 -12.209   6.766   2.970
 1223   2HB   LYS 154          1HB       LYS 154 -12.228   8.447   3.490
 1224   1HG   LYS 154          2HG       LYS 154 -14.487   8.031   4.471
 1225   2HG   LYS 154          1HG       LYS 154 -14.267   6.323   4.099
 1226   1HD   LYS 154          2HD       LYS 154 -12.456   7.976   5.860
 1227   2HD   LYS 154          1HD       LYS 154 -13.682   6.844   6.430
 1228   1HE   LYS 154          2HE       LYS 154 -12.506   5.019   5.276
 1229   2HE   LYS 154          1HE       LYS 154 -11.268   6.160   4.755
 1230   1HZ   LYS 154          1HZ       LYS 154 -10.539   4.963   6.699
 1231   2HZ   LYS 154          2HZ       LYS 154 -11.912   5.438   7.563
 1232   3HZ   LYS 154          3HZ       LYS 154 -10.765   6.591   7.097
 1233    H    LEU 155           H        LEU 155 -11.277   8.885   2.225
 1234    HA   LEU 155           HA       LEU 155  -9.567   9.638   0.954
 1235   1HB   LEU 155          2HB       LEU 155 -10.403   7.552  -1.040
 1236   2HB   LEU 155          1HB       LEU 155  -8.800   8.189  -0.764
 1237    HG   LEU 155           HG       LEU 155  -8.930   7.032   1.552
 1238   1HD1  LEU 155          1HD1      LEU 155 -11.098   6.400   1.909
 1239   2HD1  LEU 155          2HD1      LEU 155 -10.431   4.919   1.223
 1240   3HD1  LEU 155          3HD1      LEU 155 -11.381   6.007   0.212
 1241   1HD2  LEU 155          1HD2      LEU 155  -8.980   5.131  -0.740
 1242   2HD2  LEU 155          2HD2      LEU 155  -7.907   5.184   0.658
 1243   3HD2  LEU 155          3HD2      LEU 155  -7.728   6.368  -0.634
 1244    H    ASN 156           H        ASN 156 -10.432  11.695   0.425
 1245    HA   ASN 156           HA       ASN 156 -11.893  11.952  -2.078
 1246   1HB   ASN 156          2HB       ASN 156 -12.653  13.330  -0.248
 1247   2HB   ASN 156          1HB       ASN 156 -11.039  13.998  -0.030
 1248   1HD2  ASN 156          1HD2      ASN 156 -10.782  15.936  -0.824
 1249   2HD2  ASN 156          2HD2      ASN 156 -11.613  16.600  -2.182
 1250    H    LYS 157           H        LYS 157 -10.883  12.148  -3.903
 1251    HA   LYS 157           HA       LYS 157  -8.263  12.081  -4.467
 1252   1HB   LYS 157          2HB       LYS 157 -10.469  13.464  -5.961
 1253   2HB   LYS 157          1HB       LYS 157  -8.832  13.396  -6.601
 1254   1HG   LYS 157          2HG       LYS 157  -8.889  11.007  -6.672
 1255   2HG   LYS 157          1HG       LYS 157 -10.434  10.969  -5.828
 1256   1HD   LYS 157          2HD       LYS 157 -10.765  10.595  -8.205
 1257   2HD   LYS 157          1HD       LYS 157 -11.480  12.135  -7.726
 1258   1HE   LYS 157          2HE       LYS 157 -10.289  12.350  -9.838
 1259   2HE   LYS 157          1HE       LYS 157  -9.515  13.315  -8.580
 1260   1HZ   LYS 157          1HZ       LYS 157  -7.756  11.818  -8.414
 1261   2HZ   LYS 157          2HZ       LYS 157  -8.028  11.929 -10.079
 1262   3HZ   LYS 157          3HZ       LYS 157  -8.587  10.584  -9.220
 1263    H    TRP 158           H        TRP 158  -6.516  13.274  -4.342
 1264    HA   TRP 158           HA       TRP 158  -6.154  15.513  -2.865
 1265   1HB   TRP 158          2HB       TRP 158  -4.268  14.253  -3.633
 1266   2HB   TRP 158          1HB       TRP 158  -4.652  14.578  -5.315
 1267    HD1  TRP 158           HD       TRP 158  -3.609  16.695  -6.390
 1268    HE1  TRP 158           1HE      TRP 158  -2.056  18.564  -5.544
 1269    HE3  TRP 158           3HE      TRP 158  -3.756  15.667  -1.386
 1270    HZ2  TRP 158           2HZ      TRP 158  -1.021  19.475  -3.081
 1271    HZ3  TRP 158           3HZ      TRP 158  -2.450  17.081   0.143
 1272    HH2  TRP 158           HH       TRP 158  -1.112  18.944  -0.684
  Start of MODEL   14
    1   1H    THR   1          1HT       THR   1   2.151 -14.550  -8.887
    2   2H    THR   1          2HT       THR   1   2.343 -13.061  -9.665
    3   3H    THR   1          3HT       THR   1   1.132 -14.129 -10.171
    4    HA   THR   1           HA       THR   1  -0.310 -13.370  -8.702
    5    HB   THR   1           HB       THR   1   1.957 -13.542  -6.703
    6    HG1  THR   1           1HG      THR   1   0.701 -15.447  -7.940
    7   1HG2  THR   1          1HG2      THR   1   0.351 -12.193  -5.662
    8   2HG2  THR   1          2HG2      THR   1   0.049 -13.825  -5.065
    9   3HG2  THR   1          3HG2      THR   1  -0.988 -13.140  -6.315
   10    H    VAL   2           H        VAL   2  -1.109 -11.361  -8.264
   11    HA   VAL   2           HA       VAL   2   0.564  -9.113  -8.914
   12    HB   VAL   2           HB       VAL   2  -2.318  -9.177  -8.010
   13   1HG1  VAL   2          1HG1      VAL   2  -2.372  -6.892  -9.047
   14   2HG1  VAL   2          2HG1      VAL   2  -0.612  -6.953  -9.107
   15   3HG1  VAL   2          3HG1      VAL   2  -1.442  -7.012  -7.552
   16   1HG2  VAL   2          1HG2      VAL   2  -2.535 -10.134 -10.044
   17   2HG2  VAL   2          2HG2      VAL   2  -0.995  -9.501 -10.626
   18   3HG2  VAL   2          3HG2      VAL   2  -2.418  -8.460 -10.586
   19    H    ALA   3           H        ALA   3   1.155  -7.421  -7.611
   20    HA   ALA   3           HA       ALA   3   1.068  -7.962  -4.728
   21   1HB   ALA   3          1HB       ALA   3   3.046  -6.708  -6.524
   22   2HB   ALA   3          2HB       ALA   3   3.281  -7.692  -5.082
   23   3HB   ALA   3          3HB       ALA   3   2.871  -5.986  -4.924
   24    H    TYR   4           H        TYR   4  -0.735  -7.042  -3.962
   25    HA   TYR   4           HA       TYR   4  -1.720  -4.500  -4.908
   26   1HB   TYR   4          2HB       TYR   4  -2.560  -6.225  -2.572
   27   2HB   TYR   4          1HB       TYR   4  -3.432  -4.821  -3.158
   28    HD1  TYR   4           1HD      TYR   4  -1.834  -7.393  -5.270
   29    HD2  TYR   4           2HD      TYR   4  -5.504  -5.870  -3.759
   30    HE1  TYR   4           1HE      TYR   4  -3.066  -8.826  -6.828
   31    HE2  TYR   4           2HE      TYR   4  -6.746  -7.306  -5.316
   32    HH   TYR   4           HH       TYR   4  -6.591  -8.678  -7.076
   33    H    ILE   5           H        ILE   5   0.327  -3.359  -4.414
   34    HA   ILE   5           HA       ILE   5   1.039  -2.994  -1.637
   35    HB   ILE   5           HB       ILE   5   2.144  -1.460  -3.979
   36   1HG1  ILE   5          2HG1      ILE   5   2.274  -3.836  -4.519
   37   2HG1  ILE   5          1HG1      ILE   5   3.875  -3.202  -4.159
   38   1HG2  ILE   5          1HG2      ILE   5   4.207  -1.567  -2.476
   39   2HG2  ILE   5          2HG2      ILE   5   3.099  -2.080  -1.202
   40   3HG2  ILE   5          3HG2      ILE   5   2.890  -0.509  -1.974
   41   1HD1  ILE   5          1HD1      ILE   5   2.922  -4.142  -1.723
   42   2HD1  ILE   5          2HD1      ILE   5   4.125  -4.902  -2.765
   43   3HD1  ILE   5          3HD1      ILE   5   2.426  -5.350  -2.908
   44    H    ALA   6           H        ALA   6   1.097  -1.030  -0.529
   45    HA   ALA   6           HA       ALA   6  -0.658   1.098  -1.569
   46   1HB   ALA   6          1HB       ALA   6  -1.060   1.362   1.071
   47   2HB   ALA   6          2HB       ALA   6  -0.809  -0.382   0.987
   48   3HB   ALA   6          3HB       ALA   6  -2.088   0.372   0.035
   49    H    ILE   7           H        ILE   7   0.414   2.963  -1.740
   50    HA   ILE   7           HA       ILE   7   2.875   3.315  -0.177
   51    HB   ILE   7           HB       ILE   7   1.931   4.705  -2.687
   52   1HG1  ILE   7          2HG1      ILE   7   4.023   3.632  -3.625
   53   2HG1  ILE   7          1HG1      ILE   7   4.125   2.700  -2.136
   54   1HG2  ILE   7          1HG2      ILE   7   4.528   5.099  -1.210
   55   2HG2  ILE   7          2HG2      ILE   7   3.175   6.229  -1.198
   56   3HG2  ILE   7          3HG2      ILE   7   4.031   5.895  -2.703
   57   1HD1  ILE   7          1HD1      ILE   7   2.270   1.432  -2.653
   58   2HD1  ILE   7          2HD1      ILE   7   3.030   1.659  -4.228
   59   3HD1  ILE   7          3HD1      ILE   7   1.633   2.634  -3.775
   60    H    GLY   8           H        GLY   8   3.327   5.244   0.943
   61   1HA   GLY   8          2HA       GLY   8   1.036   7.066   1.308
   62   2HA   GLY   8          1HA       GLY   8   1.878   6.397   2.701
   63    H    SER   9           H        SER   9   1.569   9.205   1.866
   64    HA   SER   9           HA       SER   9   4.273  10.023   2.301
   65   1HB   SER   9          2HB       SER   9   4.481  11.317   0.167
   66   2HB   SER   9          1HB       SER   9   4.510   9.572  -0.058
   67    HG   SER   9           HG       SER   9   2.136  11.082  -0.280
   68    H    ASN  10           H        ASN  10   3.947  11.644   3.717
   69    HA   ASN  10           HA       ASN  10   1.949  13.668   3.009
   70   1HB   ASN  10          2HB       ASN  10   2.103  12.687   5.831
   71   2HB   ASN  10          1HB       ASN  10   0.793  13.531   5.017
   72   1HD2  ASN  10          1HD2      ASN  10   1.385  10.787   6.426
   73   2HD2  ASN  10          2HD2      ASN  10   0.489   9.681   5.438
   74    H    LEU  11           H        LEU  11   4.586  12.796   5.237
   75    HA   LEU  11           HA       LEU  11   4.942  15.460   6.155
   76   1HB   LEU  11          2HB       LEU  11   6.481  12.929   6.484
   77   2HB   LEU  11          1HB       LEU  11   7.188  14.451   6.988
   78    HG   LEU  11           HG       LEU  11   6.132  13.261   8.853
   79   1HD1  LEU  11          1HD1      LEU  11   4.840  15.103   9.729
   80   2HD1  LEU  11          2HD1      LEU  11   4.629  15.764   8.109
   81   3HD1  LEU  11          3HD1      LEU  11   6.233  15.719   8.841
   82   1HD2  LEU  11          1HD2      LEU  11   4.370  12.165   7.444
   83   2HD2  LEU  11          2HD2      LEU  11   3.509  13.705   7.442
   84   3HD2  LEU  11          3HD2      LEU  11   3.788  12.855   8.961
   85    H    ALA  12           H        ALA  12   7.272  13.491   4.386
   86    HA   ALA  12           HA       ALA  12   8.947  15.596   3.678
   87   1HB   ALA  12          1HB       ALA  12   9.202  13.723   1.628
   88   2HB   ALA  12          2HB       ALA  12   8.729  12.800   3.054
   89   3HB   ALA  12          3HB       ALA  12  10.159  13.830   3.107
   90    H    SER  13           H        SER  13   7.050  13.822   1.263
   91    HA   SER  13           HA       SER  13   5.808  16.189   0.235
   92   1HB   SER  13          2HB       SER  13   8.101  16.462  -0.677
   93   2HB   SER  13          1HB       SER  13   7.949  14.895  -1.471
   94    HG   SER  13           HG       SER  13   6.363  15.708  -2.777
   95    HA   PRO  14           HA       PRO  14   3.168  12.450  -0.213
   96   1HB   PRO  14          2HB       PRO  14   1.550  14.695  -1.283
   97   2HB   PRO  14          1HB       PRO  14   1.079  13.362  -0.235
   98   1HG   PRO  14          2HG       PRO  14   1.541  15.840   0.722
   99   2HG   PRO  14          1HG       PRO  14   1.892  14.377   1.660
  100   1HD   PRO  14          2HD       PRO  14   3.746  16.285   0.404
  101   2HD   PRO  14          1HD       PRO  14   4.042  15.108   1.696
  102    H    LEU  15           H        LEU  15   4.042  14.909  -2.567
  103    HA   LEU  15           HA       LEU  15   2.987  13.396  -4.791
  104   1HB   LEU  15          2HB       LEU  15   2.974  15.882  -4.699
  105   2HB   LEU  15          1HB       LEU  15   4.722  15.860  -4.803
  106    HG   LEU  15           HG       LEU  15   4.534  14.736  -7.018
  107   1HD1  LEU  15          1HD1      LEU  15   2.340  14.827  -8.156
  108   2HD1  LEU  15          2HD1      LEU  15   1.598  15.277  -6.621
  109   3HD1  LEU  15          3HD1      LEU  15   2.373  13.704  -6.798
  110   1HD2  LEU  15          1HD2      LEU  15   4.927  16.909  -7.456
  111   2HD2  LEU  15          2HD2      LEU  15   3.636  17.467  -6.393
  112   3HD2  LEU  15          3HD2      LEU  15   3.255  16.890  -8.015
  113    H    GLU  16           H        GLU  16   6.236  14.583  -3.938
  114    HA   GLU  16           HA       GLU  16   7.592  13.153  -5.913
  115   1HB   GLU  16          2HB       GLU  16   8.457  14.389  -3.324
  116   2HB   GLU  16          1HB       GLU  16   9.602  13.628  -4.424
  117   1HG   GLU  16          2HG       GLU  16   8.924  15.191  -6.185
  118   2HG   GLU  16          1HG       GLU  16   7.801  15.956  -5.061
  119    H    GLN  17           H        GLN  17   6.573  12.105  -2.702
  120    HA   GLN  17           HA       GLN  17   8.420   9.909  -2.660
  121   1HB   GLN  17          2HB       GLN  17   5.964  10.319  -0.963
  122   2HB   GLN  17          1HB       GLN  17   7.318   9.246  -0.620
  123   1HG   GLN  17          2HG       GLN  17   8.748  11.379  -0.703
  124   2HG   GLN  17          1HG       GLN  17   7.215  12.230  -0.534
  125   1HE2  GLN  17          1HE2      GLN  17   9.761  11.004   1.089
  126   2HE2  GLN  17          2HE2      GLN  17   9.049  10.823   2.647
  127    H    VAL  18           H        VAL  18   5.281  10.387  -3.985
  128    HA   VAL  18           HA       VAL  18   4.714   7.534  -4.104
  129    HB   VAL  18           HB       VAL  18   3.119   9.908  -5.069
  130   1HG1  VAL  18          1HG1      VAL  18   2.458   8.049  -6.398
  131   2HG1  VAL  18          2HG1      VAL  18   1.236   8.254  -5.141
  132   3HG1  VAL  18          3HG1      VAL  18   2.444   6.975  -4.998
  133   1HG2  VAL  18          1HG2      VAL  18   2.316  10.074  -3.008
  134   2HG2  VAL  18          2HG2      VAL  18   3.581   8.953  -2.499
  135   3HG2  VAL  18          3HG2      VAL  18   1.984   8.344  -2.933
  136    H    ASN  19           H        ASN  19   5.726  10.125  -6.253
  137    HA   ASN  19           HA       ASN  19   5.249   8.792  -8.687
  138   1HB   ASN  19          2HB       ASN  19   7.278  10.914  -7.978
  139   2HB   ASN  19          1HB       ASN  19   6.982  10.347  -9.619
  140   1HD2  ASN  19          1HD2      ASN  19   6.370  12.798  -7.649
  141   2HD2  ASN  19          2HD2      ASN  19   4.821  13.303  -8.225
  142    H    ALA  20           H        ALA  20   8.099   8.876  -6.577
  143    HA   ALA  20           HA       ALA  20   9.571   7.091  -8.313
  144   1HB   ALA  20          1HB       ALA  20  10.443   9.012  -6.724
  145   2HB   ALA  20          2HB       ALA  20  11.415   7.580  -7.064
  146   3HB   ALA  20          3HB       ALA  20  10.504   7.691  -5.556
  147    H    ALA  21           H        ALA  21   7.446   6.820  -5.622
  148    HA   ALA  21           HA       ALA  21   8.355   4.406  -4.495
  149   1HB   ALA  21          1HB       ALA  21   6.743   5.789  -3.342
  150   2HB   ALA  21          2HB       ALA  21   6.058   4.186  -3.613
  151   3HB   ALA  21          3HB       ALA  21   5.562   5.540  -4.630
  152    H    LEU  22           H        LEU  22   5.920   5.038  -7.008
  153    HA   LEU  22           HA       LEU  22   5.636   2.205  -7.549
  154   1HB   LEU  22          2HB       LEU  22   4.048   2.985  -9.316
  155   2HB   LEU  22          1HB       LEU  22   3.632   3.459  -7.682
  156    HG   LEU  22           HG       LEU  22   4.706   5.711  -8.216
  157   1HD1  LEU  22          1HD1      LEU  22   4.766   6.324 -10.592
  158   2HD1  LEU  22          2HD1      LEU  22   4.459   4.642 -11.022
  159   3HD1  LEU  22          3HD1      LEU  22   5.952   5.082 -10.192
  160   1HD2  LEU  22          1HD2      LEU  22   2.680   6.473  -9.463
  161   2HD2  LEU  22          2HD2      LEU  22   2.339   5.525  -8.016
  162   3HD2  LEU  22          3HD2      LEU  22   2.206   4.781  -9.610
  163    H    LYS  23           H        LYS  23   7.598   4.762  -8.603
  164    HA   LYS  23           HA       LYS  23   8.067   3.817 -11.272
  165   1HB   LYS  23          2HB       LYS  23   8.335   6.194 -10.546
  166   2HB   LYS  23          1HB       LYS  23   9.741   5.712  -9.615
  167   1HG   LYS  23          2HG       LYS  23   9.565   5.237 -12.570
  168   2HG   LYS  23          1HG       LYS  23  10.121   6.769 -11.903
  169   1HD   LYS  23          2HD       LYS  23  11.348   4.093 -11.238
  170   2HD   LYS  23          1HD       LYS  23  11.945   5.164 -12.505
  171   1HE   LYS  23          2HE       LYS  23  13.272   5.514 -10.546
  172   2HE   LYS  23          1HE       LYS  23  12.248   6.931 -10.775
  173   1HZ   LYS  23          1HZ       LYS  23  11.005   6.443  -8.944
  174   2HZ   LYS  23          2HZ       LYS  23  12.491   5.807  -8.445
  175   3HZ   LYS  23          3HZ       LYS  23  11.287   4.776  -9.034
  176    H    ALA  24           H        ALA  24   9.742   3.527  -8.174
  177    HA   ALA  24           HA       ALA  24  12.022   2.188  -9.214
  178   1HB   ALA  24          1HB       ALA  24  11.008   2.953  -6.582
  179   2HB   ALA  24          2HB       ALA  24  12.655   2.953  -7.214
  180   3HB   ALA  24          3HB       ALA  24  11.951   1.462  -6.586
  181    H    LEU  25           H        LEU  25   8.841   1.123  -8.608
  182    HA   LEU  25           HA       LEU  25   9.514  -1.608  -8.000
  183   1HB   LEU  25          2HB       LEU  25   6.896  -0.382  -8.874
  184   2HB   LEU  25          1HB       LEU  25   7.099  -2.026  -8.298
  185    HG   LEU  25           HG       LEU  25   7.570   0.477  -6.676
  186   1HD1  LEU  25          1HD1      LEU  25   5.571  -0.036  -5.524
  187   2HD1  LEU  25          2HD1      LEU  25   5.432  -1.606  -6.315
  188   3HD1  LEU  25          3HD1      LEU  25   5.187  -0.127  -7.243
  189   1HD2  LEU  25          1HD2      LEU  25   7.945  -0.975  -4.804
  190   2HD2  LEU  25          2HD2      LEU  25   9.055  -1.433  -6.095
  191   3HD2  LEU  25          3HD2      LEU  25   7.616  -2.402  -5.785
  192    H    GLY  26           H        GLY  26   9.360   0.264 -10.826
  193   1HA   GLY  26          2HA       GLY  26   8.644  -1.862 -12.632
  194   2HA   GLY  26          1HA       GLY  26   9.248  -0.272 -13.076
  195    H    ASP  27           H        ASP  27  11.322  -1.457 -10.812
  196    HA   ASP  27           HA       ASP  27  13.007  -2.826 -12.799
  197   1HB   ASP  27          2HB       ASP  27  13.695  -0.426 -12.431
  198   2HB   ASP  27          1HB       ASP  27  14.042  -0.847 -10.758
  199    H    ILE  28           H        ILE  28  11.348  -3.197 -10.064
  200    HA   ILE  28           HA       ILE  28  13.231  -4.411  -8.313
  201    HB   ILE  28           HB       ILE  28  10.221  -4.597  -8.443
  202   1HG1  ILE  28          2HG1      ILE  28  11.063  -2.388  -7.867
  203   2HG1  ILE  28          1HG1      ILE  28  10.348  -3.138  -6.443
  204   1HG2  ILE  28          1HG2      ILE  28  10.132  -5.908  -6.575
  205   2HG2  ILE  28          2HG2      ILE  28  11.718  -5.390  -5.999
  206   3HG2  ILE  28          3HG2      ILE  28  11.595  -6.550  -7.324
  207   1HD1  ILE  28          1HD1      ILE  28  12.690  -1.889  -6.395
  208   2HD1  ILE  28          2HD1      ILE  28  13.255  -3.502  -6.829
  209   3HD1  ILE  28          3HD1      ILE  28  12.323  -3.264  -5.351
  210    HA   PRO  29           HA       PRO  29  13.975  -8.322 -10.217
  211   1HB   PRO  29          2HB       PRO  29  14.068  -9.856  -7.897
  212   2HB   PRO  29          1HB       PRO  29  15.423  -8.969  -8.599
  213   1HG   PRO  29          2HG       PRO  29  13.592  -8.185  -6.371
  214   2HG   PRO  29          1HG       PRO  29  15.340  -7.927  -6.534
  215   1HD   PRO  29          2HD       PRO  29  13.615  -5.933  -6.960
  216   2HD   PRO  29          1HD       PRO  29  15.061  -6.124  -7.975
  217    H    GLU  30           H        GLU  30  12.615  -9.635 -11.195
  218    HA   GLU  30           HA       GLU  30  10.808 -10.909 -11.701
  219   1HB   GLU  30          2HB       GLU  30  10.715 -11.378  -8.717
  220   2HB   GLU  30          1HB       GLU  30   9.912 -12.355  -9.940
  221   1HG   GLU  30          2HG       GLU  30  12.885 -12.015  -9.613
  222   2HG   GLU  30          1HG       GLU  30  11.938 -13.428  -9.147
  223    H    SER  31           H        SER  31  10.508  -8.022 -10.418
  224    HA   SER  31           HA       SER  31   7.593  -8.196 -10.050
  225   1HB   SER  31          2HB       SER  31   9.518  -6.079  -9.070
  226   2HB   SER  31          1HB       SER  31   7.770  -6.044  -8.843
  227    HG   SER  31           HG       SER  31   8.081  -7.239  -7.159
  228    H    HIS  32           H        HIS  32   6.236  -6.993 -11.269
  229    HA   HIS  32           HA       HIS  32   7.293  -4.925 -13.030
  230   1HB   HIS  32          2HB       HIS  32   7.594  -7.097 -14.238
  231   2HB   HIS  32          1HB       HIS  32   5.851  -7.321 -14.176
  232    HD1  HIS  32           1HD      HIS  32   6.566  -7.363 -16.908
  233    HD2  HIS  32           2HD      HIS  32   6.332  -3.704 -14.952
  234    HE1  HIS  32           1HE      HIS  32   6.313  -5.644 -18.725
  235    HE2  HIS  32           2HE      HIS  32   6.085  -3.448 -17.513
  236    H    ILE  33           H        ILE  33   5.926  -3.364 -12.250
  237    HA   ILE  33           HA       ILE  33   3.270  -3.732 -11.485
  238    HB   ILE  33           HB       ILE  33   4.790  -1.291 -12.345
  239   1HG1  ILE  33          2HG1      ILE  33   3.523  -2.180  -9.750
  240   2HG1  ILE  33          1HG1      ILE  33   5.236  -2.257 -10.142
  241   1HG2  ILE  33          1HG2      ILE  33   1.900  -1.317 -11.470
  242   2HG2  ILE  33          2HG2      ILE  33   2.460  -1.004 -13.112
  243   3HG2  ILE  33          3HG2      ILE  33   2.884   0.106 -11.810
  244   1HD1  ILE  33          1HD1      ILE  33   4.272  -0.306  -8.692
  245   2HD1  ILE  33          2HD1      ILE  33   3.861   0.377 -10.265
  246   3HD1  ILE  33          3HD1      ILE  33   5.539  -0.005  -9.881
  247    H    LEU  34           H        LEU  34   1.358  -3.710 -12.489
  248    HA   LEU  34           HA       LEU  34   1.389  -3.619 -15.427
  249   1HB   LEU  34          2HB       LEU  34   0.690  -5.723 -14.150
  250   2HB   LEU  34          1HB       LEU  34  -0.749  -4.840 -13.692
  251    HG   LEU  34           HG       LEU  34   0.045  -5.364 -16.559
  252   1HD1  LEU  34          1HD1      LEU  34  -1.053  -7.152 -14.607
  253   2HD1  LEU  34          2HD1      LEU  34  -0.634  -7.457 -16.293
  254   3HD1  LEU  34          3HD1      LEU  34  -2.236  -6.845 -15.879
  255   1HD2  LEU  34          1HD2      LEU  34  -1.568  -3.909 -17.015
  256   2HD2  LEU  34          2HD2      LEU  34  -1.987  -3.760 -15.309
  257   3HD2  LEU  34          3HD2      LEU  34  -2.716  -5.032 -16.287
  258    H    THR  35           H        THR  35  -0.558  -2.684 -12.600
  259    HA   THR  35           HA       THR  35  -1.531  -0.368 -14.118
  260    HB   THR  35           HB       THR  35  -3.780  -0.710 -13.005
  261    HG1  THR  35           1HG      THR  35  -4.234  -2.687 -12.163
  262   1HG2  THR  35          1HG2      THR  35  -3.877  -3.069 -14.540
  263   2HG2  THR  35          2HG2      THR  35  -2.757  -1.962 -15.334
  264   3HG2  THR  35          3HG2      THR  35  -4.406  -1.446 -14.984
  265    H    VAL  36           H        VAL  36  -2.344   1.374 -12.774
  266    HA   VAL  36           HA       VAL  36  -1.624   1.277  -9.950
  267    HB   VAL  36           HB       VAL  36   0.406   2.076 -11.074
  268   1HG1  VAL  36          1HG1      VAL  36   0.414   4.227 -12.242
  269   2HG1  VAL  36          2HG1      VAL  36  -1.339   4.317 -12.084
  270   3HG1  VAL  36          3HG1      VAL  36  -0.605   3.043 -13.061
  271   1HG2  VAL  36          1HG2      VAL  36  -0.726   4.507  -9.766
  272   2HG2  VAL  36          2HG2      VAL  36   0.854   3.750  -9.562
  273   3HG2  VAL  36          3HG2      VAL  36  -0.575   3.019  -8.833
  274    H    SER  37           H        SER  37  -2.823   2.636  -8.668
  275    HA   SER  37           HA       SER  37  -5.202   3.748  -9.860
  276   1HB   SER  37          2HB       SER  37  -5.899   4.183  -7.548
  277   2HB   SER  37          1HB       SER  37  -5.300   2.533  -7.714
  278    HG   SER  37           HG       SER  37  -3.861   2.990  -6.270
  279    H    SER  38           H        SER  38  -5.818   5.950  -8.418
  280    HA   SER  38           HA       SER  38  -3.893   7.902  -9.433
  281   1HB   SER  38          2HB       SER  38  -6.727   8.273  -8.432
  282   2HB   SER  38          1HB       SER  38  -5.713   9.544  -9.112
  283    HG   SER  38           HG       SER  38  -6.779   8.875 -10.850
  284    H    PHE  39           H        PHE  39  -4.597  10.072  -7.762
  285    HA   PHE  39           HA       PHE  39  -3.294   9.206  -5.270
  286   1HB   PHE  39          2HB       PHE  39  -3.533  12.046  -6.288
  287   2HB   PHE  39          1HB       PHE  39  -2.518  11.461  -4.981
  288    HD1  PHE  39           1HD      PHE  39  -0.280  11.171  -5.420
  289    HD2  PHE  39           2HD      PHE  39  -3.069  10.827  -8.614
  290    HE1  PHE  39           1HE      PHE  39   1.578  10.861  -7.004
  291    HE2  PHE  39           2HE      PHE  39  -1.218  10.517 -10.203
  292    HZ   PHE  39           HZ       PHE  39   1.127  10.517  -9.376
  293    H    TYR  40           H        TYR  40  -4.416   9.233  -3.424
  294    HA   TYR  40           HA       TYR  40  -6.898  10.808  -3.353
  295   1HB   TYR  40          2HB       TYR  40  -6.500   8.044  -2.195
  296   2HB   TYR  40          1HB       TYR  40  -7.969   9.006  -2.080
  297    HD1  TYR  40           1HD      TYR  40  -5.666   7.567  -4.653
  298    HD2  TYR  40           2HD      TYR  40  -9.649   8.654  -3.629
  299    HE1  TYR  40           1HE      TYR  40  -6.469   6.586  -6.759
  300    HE2  TYR  40           2HE      TYR  40 -10.462   7.675  -5.733
  301    HH   TYR  40           HH       TYR  40  -9.065   7.216  -8.209
  302    H    ARG  41           H        ARG  41  -7.241  12.016  -1.626
  303    HA   ARG  41           HA       ARG  41  -5.209  12.141   0.445
  304   1HB   ARG  41          2HB       ARG  41  -6.567  14.086  -0.838
  305   2HB   ARG  41          1HB       ARG  41  -7.630  13.871   0.543
  306   1HG   ARG  41          2HG       ARG  41  -5.807  14.339   2.059
  307   2HG   ARG  41          1HG       ARG  41  -4.686  14.464   0.704
  308   1HD   ARG  41          2HD       ARG  41  -6.041  16.353  -0.170
  309   2HD   ARG  41          1HD       ARG  41  -7.028  16.263   1.285
  310    HE   ARG  41           HE       ARG  41  -4.349  16.508   2.050
  311   1HH1  ARG  41          1HH1      ARG  41  -6.854  18.373   0.498
  312   2HH1  ARG  41          2HH1      ARG  41  -6.226  19.897   1.032
  313   1HH2  ARG  41          1HH2      ARG  41  -3.516  18.509   2.750
  314   2HH2  ARG  41          2HH2      ARG  41  -4.329  19.974   2.310
  315    H    THR  42           H        THR  42  -5.433  11.176   2.395
  316    HA   THR  42           HA       THR  42  -7.975  10.907   3.699
  317    HB   THR  42           HB       THR  42  -8.369   9.132   2.145
  318    HG1  THR  42           1HG      THR  42  -8.624   8.795   4.566
  319   1HG2  THR  42          1HG2      THR  42  -5.749   7.928   3.001
  320   2HG2  THR  42          2HG2      THR  42  -6.096   8.649   1.430
  321   3HG2  THR  42          3HG2      THR  42  -6.938   7.182   1.932
  322    HA   PRO  43           HA       PRO  43  -5.164  11.544   7.147
  323   1HB   PRO  43          2HB       PRO  43  -7.354   9.871   8.309
  324   2HB   PRO  43          1HB       PRO  43  -6.582  11.320   8.960
  325   1HG   PRO  43          2HG       PRO  43  -8.987  11.311   7.618
  326   2HG   PRO  43          1HG       PRO  43  -7.925  12.718   7.769
  327   1HD   PRO  43          2HD       PRO  43  -8.602  11.252   5.391
  328   2HD   PRO  43          1HD       PRO  43  -7.524  12.657   5.542
  329    HA   PRO  44           HA       PRO  44  -3.062   7.569   6.879
  330   1HB   PRO  44          2HB       PRO  44  -0.919   8.256   8.420
  331   2HB   PRO  44          1HB       PRO  44  -1.056   8.636   6.703
  332   1HG   PRO  44          2HG       PRO  44  -1.502  10.380   9.071
  333   2HG   PRO  44          1HG       PRO  44  -0.786  10.773   7.498
  334   1HD   PRO  44          2HD       PRO  44  -3.333  11.441   8.192
  335   2HD   PRO  44          1HD       PRO  44  -2.811  11.146   6.529
  336    H    LEU  45           H        LEU  45  -4.326   9.203   9.560
  337    HA   LEU  45           HA       LEU  45  -4.980   8.574  11.640
  338   1HB   LEU  45          2HB       LEU  45  -4.775   5.819  10.440
  339   2HB   LEU  45          1HB       LEU  45  -5.594   6.210  11.939
  340    HG   LEU  45           HG       LEU  45  -6.389   7.163   9.185
  341   1HD1  LEU  45          1HD1      LEU  45  -7.613   5.151  11.062
  342   2HD1  LEU  45          2HD1      LEU  45  -6.918   4.842   9.472
  343   3HD1  LEU  45          3HD1      LEU  45  -8.403   5.782   9.619
  344   1HD2  LEU  45          1HD2      LEU  45  -8.474   7.623  10.945
  345   2HD2  LEU  45          2HD2      LEU  45  -7.392   8.838  10.260
  346   3HD2  LEU  45          3HD2      LEU  45  -7.042   8.133  11.839
  347    H    GLY  46           H        GLY  46  -3.127   9.273  12.728
  348   1HA   GLY  46          2HA       GLY  46  -1.900   7.672  14.494
  349   2HA   GLY  46          1HA       GLY  46  -0.913   7.427  13.062
  350    HA   PRO  47           HA       PRO  47   0.955  11.072  15.021
  351   1HB   PRO  47          2HB       PRO  47   3.440  10.215  15.090
  352   2HB   PRO  47          1HB       PRO  47   2.228   9.490  16.148
  353   1HG   PRO  47          2HG       PRO  47   3.390   8.449  13.599
  354   2HG   PRO  47          1HG       PRO  47   3.014   7.578  15.096
  355   1HD   PRO  47          2HD       PRO  47   1.384   7.722  12.829
  356   2HD   PRO  47          1HD       PRO  47   0.871   7.206  14.446
  357    H    GLN  48           H        GLN  48   3.815  11.075  14.001
  358    HA   GLN  48           HA       GLN  48   5.104  12.211  12.624
  359   1HB   GLN  48          2HB       GLN  48   4.839  11.916  10.172
  360   2HB   GLN  48          1HB       GLN  48   4.972  10.438  11.105
  361   1HG   GLN  48          2HG       GLN  48   2.301  11.448  10.276
  362   2HG   GLN  48          1HG       GLN  48   3.326  10.568   9.150
  363   1HE2  GLN  48          1HE2      GLN  48   0.757  10.002  10.664
  364   2HE2  GLN  48          2HE2      GLN  48   1.012   8.432  11.331
  365    H    ASP  49           H        ASP  49   1.758  12.820  11.610
  366    HA   ASP  49           HA       ASP  49   1.462  15.357  12.397
  367   1HB   ASP  49          2HB       ASP  49   3.519  15.987  11.191
  368   2HB   ASP  49          1HB       ASP  49   2.783  15.468   9.678
  369    H    GLN  50           H        GLN  50   0.921  13.046   9.896
  370    HA   GLN  50           HA       GLN  50  -0.834  12.634   8.482
  371   1HB   GLN  50          2HB       GLN  50  -2.636  14.145  10.333
  372   2HB   GLN  50          1HB       GLN  50  -2.935  12.647   9.464
  373   1HG   GLN  50          2HG       GLN  50  -0.831  12.560  11.524
  374   2HG   GLN  50          1HG       GLN  50  -2.485  12.765  12.097
  375   1HE2  GLN  50          1HE2      GLN  50  -0.179  10.564  11.324
  376   2HE2  GLN  50          2HE2      GLN  50  -1.150   9.171  11.097
  377    HA   PRO  51           HA       PRO  51  -0.544  17.279   7.286
  378   1HB   PRO  51          2HB       PRO  51   1.022  16.109   5.056
  379   2HB   PRO  51          1HB       PRO  51   1.327  17.560   6.013
  380   1HG   PRO  51          2HG       PRO  51   2.757  15.356   6.407
  381   2HG   PRO  51          1HG       PRO  51   2.250  16.360   7.775
  382   1HD   PRO  51          2HD       PRO  51   1.108  13.779   6.781
  383   2HD   PRO  51          1HD       PRO  51   1.403  14.305   8.446
  384    H    ASP  52           H        ASP  52  -0.348  15.131   4.431
  385    HA   ASP  52           HA       ASP  52  -3.017  16.130   3.668
  386   1HB   ASP  52          2HB       ASP  52  -1.040  15.295   1.608
  387   2HB   ASP  52          1HB       ASP  52  -2.397  16.398   1.472
  388    H    TYR  53           H        TYR  53  -1.391  13.459   4.582
  389    HA   TYR  53           HA       TYR  53  -1.608  11.218   4.206
  390   1HB   TYR  53          2HB       TYR  53  -4.346  10.976   3.932
  391   2HB   TYR  53          1HB       TYR  53  -3.443  10.996   5.433
  392    HD1  TYR  53           1HD      TYR  53  -5.717  12.833   3.271
  393    HD2  TYR  53           2HD      TYR  53  -3.305  13.092   6.766
  394    HE1  TYR  53           1HE      TYR  53  -6.914  14.872   3.941
  395    HE2  TYR  53           2HE      TYR  53  -4.499  15.128   7.446
  396    HH   TYR  53           HH       TYR  53  -6.146  16.543   6.978
  397    H    LEU  54           H        LEU  54  -0.757  11.944   1.740
  398    HA   LEU  54           HA       LEU  54  -2.767  11.279  -0.227
  399   1HB   LEU  54          2HB       LEU  54  -0.979  12.848  -0.828
  400   2HB   LEU  54          1HB       LEU  54   0.216  11.600  -0.572
  401    HG   LEU  54           HG       LEU  54  -1.958  11.285  -2.606
  402   1HD1  LEU  54          1HD1      LEU  54   0.765  12.447  -3.144
  403   2HD1  LEU  54          2HD1      LEU  54  -0.695  13.420  -2.972
  404   3HD1  LEU  54          3HD1      LEU  54  -0.565  12.246  -4.284
  405   1HD2  LEU  54          1HD2      LEU  54   0.516  10.166  -3.377
  406   2HD2  LEU  54          2HD2      LEU  54  -0.982   9.334  -2.958
  407   3HD2  LEU  54          3HD2      LEU  54   0.211   9.687  -1.708
  408    H    ASN  55           H        ASN  55  -3.114   9.369  -1.192
  409    HA   ASN  55           HA       ASN  55  -1.283   7.151  -0.625
  410   1HB   ASN  55          2HB       ASN  55  -3.065   7.057   1.081
  411   2HB   ASN  55          1HB       ASN  55  -4.275   7.011  -0.198
  412   1HD2  ASN  55          1HD2      ASN  55  -4.909   5.100  -0.887
  413   2HD2  ASN  55          2HD2      ASN  55  -4.095   3.602  -0.612
  414    H    ALA  56           H        ALA  56  -1.582   5.308  -2.051
  415    HA   ALA  56           HA       ALA  56  -3.358   5.371  -4.257
  416   1HB   ALA  56          1HB       ALA  56  -1.828   7.252  -4.860
  417   2HB   ALA  56          2HB       ALA  56  -1.890   5.952  -6.050
  418   3HB   ALA  56          3HB       ALA  56  -0.515   6.081  -4.953
  419    H    ALA  57           H        ALA  57  -3.704   3.191  -4.131
  420    HA   ALA  57           HA       ALA  57  -1.635   1.303  -3.626
  421   1HB   ALA  57          1HB       ALA  57  -4.503   1.190  -4.384
  422   2HB   ALA  57          2HB       ALA  57  -3.654   0.418  -3.045
  423   3HB   ALA  57          3HB       ALA  57  -3.521  -0.247  -4.674
  424    H    VAL  58           H        VAL  58  -1.219  -0.553  -5.266
  425    HA   VAL  58           HA       VAL  58  -1.445   0.107  -8.038
  426    HB   VAL  58           HB       VAL  58   0.351   1.636  -7.553
  427   1HG1  VAL  58          1HG1      VAL  58   2.598   0.474  -6.842
  428   2HG1  VAL  58          2HG1      VAL  58   1.502  -0.698  -6.110
  429   3HG1  VAL  58          3HG1      VAL  58   1.427   0.999  -5.635
  430   1HG2  VAL  58          1HG2      VAL  58   0.454  -0.377  -9.464
  431   2HG2  VAL  58          2HG2      VAL  58   2.082  -0.320  -8.789
  432   3HG2  VAL  58          3HG2      VAL  58   1.361   1.136  -9.472
  433    H    ALA  59           H        ALA  59  -1.643  -1.748  -9.090
  434    HA   ALA  59           HA       ALA  59  -0.929  -4.236  -7.846
  435   1HB   ALA  59          1HB       ALA  59  -1.557  -4.809 -10.474
  436   2HB   ALA  59          2HB       ALA  59  -2.504  -3.365 -10.124
  437   3HB   ALA  59          3HB       ALA  59  -2.677  -4.799  -9.112
  438    H    LEU  60           H        LEU  60   0.967  -5.179  -7.935
  439    HA   LEU  60           HA       LEU  60   2.833  -4.494 -10.103
  440   1HB   LEU  60          2HB       LEU  60   3.731  -3.880  -7.974
  441   2HB   LEU  60          1HB       LEU  60   3.292  -5.424  -7.276
  442    HG   LEU  60           HG       LEU  60   4.973  -6.507  -8.819
  443   1HD1  LEU  60          1HD1      LEU  60   4.995  -3.978  -9.996
  444   2HD1  LEU  60          2HD1      LEU  60   6.044  -5.344 -10.366
  445   3HD1  LEU  60          3HD1      LEU  60   6.553  -4.137  -9.186
  446   1HD2  LEU  60          1HD2      LEU  60   5.277  -5.374  -6.357
  447   2HD2  LEU  60          2HD2      LEU  60   6.589  -4.626  -7.268
  448   3HD2  LEU  60          3HD2      LEU  60   6.477  -6.384  -7.166
  449    H    GLU  61           H        GLU  61   2.775  -6.004 -11.648
  450    HA   GLU  61           HA       GLU  61   1.999  -8.712 -11.116
  451   1HB   GLU  61          2HB       GLU  61   1.654  -7.415 -13.291
  452   2HB   GLU  61          1HB       GLU  61   3.361  -7.680 -13.603
  453   1HG   GLU  61          2HG       GLU  61   3.027 -10.085 -13.554
  454   2HG   GLU  61          1HG       GLU  61   1.317  -9.849 -13.206
  455    H    THR  62           H        THR  62   3.449  -9.517  -9.629
  456    HA   THR  62           HA       THR  62   6.183  -9.920 -10.637
  457    HB   THR  62           HB       THR  62   6.243  -8.236  -8.894
  458    HG1  THR  62           1HG      THR  62   8.009  -9.308  -8.507
  459   1HG2  THR  62          1HG2      THR  62   5.681  -9.107  -6.512
  460   2HG2  THR  62          2HG2      THR  62   4.576 -10.179  -7.375
  461   3HG2  THR  62          3HG2      THR  62   4.410  -8.431  -7.531
  462    H    SER  63           H        SER  63   7.333 -11.656  -9.462
  463    HA   SER  63           HA       SER  63   5.567 -13.858  -8.654
  464   1HB   SER  63          2HB       SER  63   8.004 -14.088 -10.449
  465   2HB   SER  63          1HB       SER  63   7.032 -15.435  -9.858
  466    HG   SER  63           HG       SER  63   5.498 -13.557 -11.065
  467    H    LEU  64           H        LEU  64   7.802 -11.713  -7.787
  468    HA   LEU  64           HA       LEU  64   9.809 -13.198  -6.475
  469   1HB   LEU  64          2HB       LEU  64   9.610 -10.654  -7.006
  470   2HB   LEU  64          1HB       LEU  64   8.772 -10.560  -5.472
  471    HG   LEU  64           HG       LEU  64  11.191  -9.953  -5.370
  472   1HD1  LEU  64          1HD1      LEU  64  11.330 -10.675  -3.246
  473   2HD1  LEU  64          2HD1      LEU  64  11.040 -12.358  -3.683
  474   3HD1  LEU  64          3HD1      LEU  64   9.685 -11.240  -3.539
  475   1HD2  LEU  64          1HD2      LEU  64  12.851 -11.321  -6.007
  476   2HD2  LEU  64          2HD2      LEU  64  11.600 -12.097  -6.976
  477   3HD2  LEU  64          3HD2      LEU  64  12.037 -12.764  -5.404
  478    H    ALA  65           H        ALA  65   9.988 -13.881  -4.306
  479    HA   ALA  65           HA       ALA  65   7.809 -15.110  -3.164
  480   1HB   ALA  65          1HB       ALA  65  10.511 -14.917  -2.589
  481   2HB   ALA  65          2HB       ALA  65   9.325 -15.911  -1.744
  482   3HB   ALA  65          3HB       ALA  65   9.717 -14.302  -1.140
  483    HA   PRO  66           HA       PRO  66   5.331 -11.853  -1.456
  484   1HB   PRO  66          2HB       PRO  66   4.240 -13.343   0.603
  485   2HB   PRO  66          1HB       PRO  66   3.605 -13.237  -1.035
  486   1HG   PRO  66          2HG       PRO  66   5.264 -15.361   0.222
  487   2HG   PRO  66          1HG       PRO  66   3.953 -15.514  -0.970
  488   1HD   PRO  66          2HD       PRO  66   6.559 -15.726  -1.658
  489   2HD   PRO  66          1HD       PRO  66   5.361 -14.996  -2.749
  490    H    GLU  67           H        GLU  67   7.758 -13.564   0.248
  491    HA   GLU  67           HA       GLU  67   7.473 -11.950   2.645
  492   1HB   GLU  67          2HB       GLU  67   9.278 -13.319   3.543
  493   2HB   GLU  67          1HB       GLU  67   8.009 -14.334   2.864
  494   1HG   GLU  67          2HG       GLU  67   9.398 -14.375   0.755
  495   2HG   GLU  67          1HG       GLU  67  10.706 -13.711   1.718
  496    H    GLU  68           H        GLU  68   9.618 -12.358  -0.097
  497    HA   GLU  68           HA       GLU  68  11.419 -10.315   0.929
  498   1HB   GLU  68          2HB       GLU  68  12.354 -12.312  -0.157
  499   2HB   GLU  68          1HB       GLU  68  11.586 -11.839  -1.666
  500   1HG   GLU  68          2HG       GLU  68  12.946  -9.885  -1.835
  501   2HG   GLU  68          1HG       GLU  68  13.583 -10.122  -0.208
  502    H    LEU  69           H        LEU  69   8.787 -10.515  -1.318
  503    HA   LEU  69           HA       LEU  69   9.374  -8.431  -3.044
  504   1HB   LEU  69          2HB       LEU  69   7.459  -9.760  -3.453
  505   2HB   LEU  69          1HB       LEU  69   6.743  -9.347  -1.911
  506    HG   LEU  69           HG       LEU  69   6.483  -7.005  -2.711
  507   1HD1  LEU  69          1HD1      LEU  69   6.744  -6.535  -5.090
  508   2HD1  LEU  69          2HD1      LEU  69   7.380  -8.159  -5.349
  509   3HD1  LEU  69          3HD1      LEU  69   8.280  -7.005  -4.364
  510   1HD2  LEU  69          1HD2      LEU  69   4.450  -7.509  -3.494
  511   2HD2  LEU  69          2HD2      LEU  69   4.916  -9.186  -3.205
  512   3HD2  LEU  69          3HD2      LEU  69   5.095  -8.486  -4.813
  513    H    LEU  70           H        LEU  70   7.355  -8.121  -0.085
  514    HA   LEU  70           HA       LEU  70   7.317  -5.345   0.018
  515   1HB   LEU  70          2HB       LEU  70   5.933  -6.538   1.539
  516   2HB   LEU  70          1HB       LEU  70   7.287  -7.439   2.185
  517    HG   LEU  70           HG       LEU  70   7.121  -4.467   2.591
  518   1HD1  LEU  70          1HD1      LEU  70   5.089  -6.121   3.383
  519   2HD1  LEU  70          2HD1      LEU  70   5.530  -4.599   4.159
  520   3HD1  LEU  70          3HD1      LEU  70   6.151  -6.123   4.791
  521   1HD2  LEU  70          1HD2      LEU  70   8.392  -6.747   4.101
  522   2HD2  LEU  70          2HD2      LEU  70   8.356  -5.074   4.658
  523   3HD2  LEU  70          3HD2      LEU  70   9.217  -5.491   3.178
  524    H    ASN  71           H        ASN  71   9.607  -7.650   1.375
  525    HA   ASN  71           HA       ASN  71  11.390  -5.980   2.646
  526   1HB   ASN  71          2HB       ASN  71  11.933  -8.467   1.025
  527   2HB   ASN  71          1HB       ASN  71  13.158  -7.668   1.998
  528   1HD2  ASN  71          1HD2      ASN  71  10.298  -7.213   3.562
  529   2HD2  ASN  71          2HD2      ASN  71  10.340  -8.564   4.634
  530    H    HIS  72           H        HIS  72  11.053  -6.584  -0.800
  531    HA   HIS  72           HA       HIS  72  13.393  -5.130  -1.561
  532   1HB   HIS  72          2HB       HIS  72  10.996  -6.153  -3.068
  533   2HB   HIS  72          1HB       HIS  72  12.203  -5.140  -3.845
  534    HD1  HIS  72           1HD      HIS  72  14.805  -6.250  -3.113
  535    HD2  HIS  72           2HD      HIS  72  11.511  -8.708  -3.722
  536    HE1  HIS  72           1HE      HIS  72  15.748  -8.515  -3.664
  537    HE2  HIS  72           2HE      HIS  72  13.736  -9.954  -4.144
  538    H    THR  73           H        THR  73   9.903  -4.485  -1.671
  539    HA   THR  73           HA       THR  73  10.019  -1.864  -2.601
  540    HB   THR  73           HB       THR  73   7.795  -1.581  -1.576
  541    HG1  THR  73           1HG      THR  73   6.977  -3.048  -0.198
  542   1HG2  THR  73          1HG2      THR  73   6.750  -3.781  -2.463
  543   2HG2  THR  73          2HG2      THR  73   8.378  -4.086  -3.069
  544   3HG2  THR  73          3HG2      THR  73   7.501  -2.645  -3.582
  545    H    GLN  74           H        GLN  74  10.961  -3.189   0.393
  546    HA   GLN  74           HA       GLN  74  10.675  -0.907   2.053
  547   1HB   GLN  74          2HB       GLN  74  12.463  -3.342   2.209
  548   2HB   GLN  74          1HB       GLN  74  12.441  -2.091   3.449
  549   1HG   GLN  74          2HG       GLN  74  10.045  -3.701   2.603
  550   2HG   GLN  74          1HG       GLN  74  11.071  -4.080   3.983
  551   1HE2  GLN  74          1HE2      GLN  74  11.105  -0.845   3.930
  552   2HE2  GLN  74          2HE2      GLN  74   9.752  -0.501   4.943
  553    H    ARG  75           H        ARG  75  13.252  -2.144  -0.006
  554    HA   ARG  75           HA       ARG  75  15.238  -0.288   0.714
  555   1HB   ARG  75          2HB       ARG  75  15.877  -2.274  -0.446
  556   2HB   ARG  75          1HB       ARG  75  14.807  -1.912  -1.791
  557   1HG   ARG  75          2HG       ARG  75  17.145  -1.517  -2.355
  558   2HG   ARG  75          1HG       ARG  75  16.201  -0.030  -2.422
  559   1HD   ARG  75          2HD       ARG  75  18.370   0.338  -1.362
  560   2HD   ARG  75          1HD       ARG  75  17.048   0.623  -0.234
  561    HE   ARG  75           HE       ARG  75  17.848  -2.018   0.088
  562   1HH1  ARG  75          1HH1      ARG  75  19.200   1.170   0.482
  563   2HH1  ARG  75          2HH1      ARG  75  20.253   0.704   1.775
  564   1HH2  ARG  75          1HH2      ARG  75  19.228  -2.638   1.798
  565   2HH2  ARG  75          2HH2      ARG  75  20.269  -1.458   2.524
  566    H    ILE  76           H        ILE  76  12.660  -0.183  -1.698
  567    HA   ILE  76           HA       ILE  76  13.445   2.066  -3.135
  568    HB   ILE  76           HB       ILE  76  10.673   1.099  -2.432
  569   1HG1  ILE  76          2HG1      ILE  76  10.663   0.454  -4.855
  570   2HG1  ILE  76          1HG1      ILE  76  12.355   0.926  -4.942
  571   1HG2  ILE  76          1HG2      ILE  76  11.524   3.574  -3.759
  572   2HG2  ILE  76          2HG2      ILE  76   9.998   3.170  -2.973
  573   3HG2  ILE  76          3HG2      ILE  76  10.304   2.644  -4.628
  574   1HD1  ILE  76          1HD1      ILE  76  11.504  -1.575  -4.482
  575   2HD1  ILE  76          2HD1      ILE  76  11.684  -0.997  -2.826
  576   3HD1  ILE  76          3HD1      ILE  76  13.058  -0.948  -3.932
  577    H    GLU  77           H        GLU  77  11.658   1.827  -0.096
  578    HA   GLU  77           HA       GLU  77  11.111   4.576   0.201
  579   1HB   GLU  77          2HB       GLU  77  10.051   2.663   1.459
  580   2HB   GLU  77          1HB       GLU  77  11.506   2.584   2.435
  581   1HG   GLU  77          2HG       GLU  77  11.116   4.809   3.263
  582   2HG   GLU  77          1HG       GLU  77   9.734   5.003   2.185
  583    H    LEU  78           H        LEU  78  13.899   2.610   0.884
  584    HA   LEU  78           HA       LEU  78  15.250   4.600   2.462
  585   1HB   LEU  78          2HB       LEU  78  16.208   2.058   1.145
  586   2HB   LEU  78          1HB       LEU  78  17.236   3.087   2.121
  587    HG   LEU  78           HG       LEU  78  14.753   1.682   3.116
  588   1HD1  LEU  78          1HD1      LEU  78  17.241   0.887   4.327
  589   2HD1  LEU  78          2HD1      LEU  78  17.278   0.619   2.584
  590   3HD1  LEU  78          3HD1      LEU  78  15.999  -0.102   3.561
  591   1HD2  LEU  78          1HD2      LEU  78  15.761   2.322   5.348
  592   2HD2  LEU  78          2HD2      LEU  78  15.064   3.639   4.407
  593   3HD2  LEU  78          3HD2      LEU  78  16.814   3.419   4.455
  594    H    GLN  79           H        GLN  79  15.069   3.654  -0.892
  595    HA   GLN  79           HA       GLN  79  17.314   5.239  -1.731
  596   1HB   GLN  79          2HB       GLN  79  15.097   4.008  -3.366
  597   2HB   GLN  79          1HB       GLN  79  16.591   4.683  -4.001
  598   1HG   GLN  79          2HG       GLN  79  17.826   2.983  -2.651
  599   2HG   GLN  79          1HG       GLN  79  16.270   2.246  -2.278
  600   1HE2  GLN  79          1HE2      GLN  79  15.706   0.640  -3.536
  601   2HE2  GLN  79          2HE2      GLN  79  16.209   0.397  -5.167
  602    H    GLN  80           H        GLN  80  14.065   5.854  -0.966
  603    HA   GLN  80           HA       GLN  80  13.835   8.189  -2.677
  604   1HB   GLN  80          2HB       GLN  80  11.860   6.782  -2.281
  605   2HB   GLN  80          1HB       GLN  80  11.980   7.089  -0.554
  606   1HG   GLN  80          2HG       GLN  80  10.238   8.430  -1.604
  607   2HG   GLN  80          1HG       GLN  80  11.506   9.435  -0.906
  608   1HE2  GLN  80          1HE2      GLN  80   9.604   8.939  -3.557
  609   2HE2  GLN  80          2HE2      GLN  80  10.502   9.844  -4.722
  610    H    GLY  81           H        GLY  81  15.022   7.370   0.383
  611   1HA   GLY  81          2HA       GLY  81  16.244   8.807   1.768
  612   2HA   GLY  81          1HA       GLY  81  15.483  10.181   0.979
  613    H    ARG  82           H        ARG  82  13.832   7.379   2.391
  614    HA   ARG  82           HA       ARG  82  11.900   8.877   3.702
  615   1HB   ARG  82          2HB       ARG  82  11.299   6.892   4.876
  616   2HB   ARG  82          1HB       ARG  82  11.848   6.389   3.285
  617   1HG   ARG  82          2HG       ARG  82  13.956   5.675   4.167
  618   2HG   ARG  82          1HG       ARG  82  13.568   6.345   5.754
  619   1HD   ARG  82          2HD       ARG  82  11.636   4.771   5.862
  620   2HD   ARG  82          1HD       ARG  82  12.218   4.036   4.368
  621    HE   ARG  82           HE       ARG  82  14.318   4.048   6.214
  622   1HH1  ARG  82          1HH1      ARG  82  11.202   2.552   5.756
  623   2HH1  ARG  82          2HH1      ARG  82  11.624   1.112   6.622
  624   1HH2  ARG  82          1HH2      ARG  82  14.879   2.160   7.360
  625   2HH2  ARG  82          2HH2      ARG  82  13.713   0.891   7.535
  626    H    VAL  83           H        VAL  83  11.572   8.994   6.080
  627    HA   VAL  83           HA       VAL  83  14.106   9.550   7.462
  628    HB   VAL  83           HB       VAL  83  11.564  11.072   7.986
  629   1HG1  VAL  83          1HG1      VAL  83  14.437  11.823   8.477
  630   2HG1  VAL  83          2HG1      VAL  83  13.402  11.047   9.677
  631   3HG1  VAL  83          3HG1      VAL  83  12.993  12.650   9.061
  632   1HG2  VAL  83          1HG2      VAL  83  13.403  12.676   6.544
  633   2HG2  VAL  83          2HG2      VAL  83  11.782  12.176   6.066
  634   3HG2  VAL  83          3HG2      VAL  83  13.173  11.183   5.631
  635    H    ARG  84           H        ARG  84  14.144   9.119   9.709
  636    HA   ARG  84           HA       ARG  84  12.032   7.274  10.574
  637   1HB   ARG  84          2HB       ARG  84  14.972   7.257  11.243
  638   2HB   ARG  84          1HB       ARG  84  13.780   6.180  11.960
  639   1HG   ARG  84          2HG       ARG  84  13.276   5.288   9.726
  640   2HG   ARG  84          1HG       ARG  84  14.527   6.330   9.048
  641   1HD   ARG  84          2HD       ARG  84  14.960   4.208  11.139
  642   2HD   ARG  84          1HD       ARG  84  15.316   4.031   9.422
  643    HE   ARG  84           HE       ARG  84  16.983   5.215  11.348
  644   1HH1  ARG  84          1HH1      ARG  84  15.867   5.729   8.085
  645   2HH1  ARG  84          2HH1      ARG  84  17.278   6.612   7.606
  646   1HH2  ARG  84          1HH2      ARG  84  18.842   6.377  10.722
  647   2HH2  ARG  84          2HH2      ARG  84  18.966   6.980   9.102
  648    H    LYS  85           H        LYS  85  11.138   9.480  11.229
  649    HA   LYS  85           HA       LYS  85  12.212  10.687  13.592
  650   1HB   LYS  85          2HB       LYS  85  10.872  11.977  12.011
  651   2HB   LYS  85          1HB       LYS  85   9.489  10.933  12.282
  652   1HG   LYS  85          2HG       LYS  85   9.436  11.691  14.634
  653   2HG   LYS  85          1HG       LYS  85  10.770  12.788  14.274
  654   1HD   LYS  85          2HD       LYS  85   9.384  13.908  12.589
  655   2HD   LYS  85          1HD       LYS  85   8.049  12.821  12.969
  656   1HE   LYS  85          2HE       LYS  85   7.762  14.965  14.083
  657   2HE   LYS  85          1HE       LYS  85   8.009  13.677  15.261
  658   1HZ   LYS  85          1HZ       LYS  85  10.293  14.353  15.509
  659   2HZ   LYS  85          2HZ       LYS  85   9.284  15.683  15.783
  660   3HZ   LYS  85          3HZ       LYS  85  10.117  15.543  14.319
  661    H    ALA  86           H        ALA  86   8.837   9.946  13.810
  662    HA   ALA  86           HA       ALA  86   9.330   7.634  15.516
  663   1HB   ALA  86          1HB       ALA  86   9.006  10.116  16.669
  664   2HB   ALA  86          2HB       ALA  86   8.717   8.568  17.461
  665   3HB   ALA  86          3HB       ALA  86   7.378   9.441  16.718
  666    H    GLU  87           H        GLU  87   8.132   6.153  14.510
  667    HA   GLU  87           HA       GLU  87   5.366   6.863  13.826
  668   1HB   GLU  87          2HB       GLU  87   5.501   5.400  11.852
  669   2HB   GLU  87          1HB       GLU  87   6.625   6.745  11.762
  670   1HG   GLU  87          2HG       GLU  87   7.439   4.006  12.680
  671   2HG   GLU  87          1HG       GLU  87   7.480   4.504  10.991
  672    H    ARG  88           H        ARG  88   3.995   5.751  15.049
  673    HA   ARG  88           HA       ARG  88   4.771   3.044  15.887
  674   1HB   ARG  88          2HB       ARG  88   2.810   3.305  17.514
  675   2HB   ARG  88          1HB       ARG  88   4.256   4.248  17.837
  676   1HG   ARG  88          2HG       ARG  88   1.979   5.433  16.306
  677   2HG   ARG  88          1HG       ARG  88   1.942   5.353  18.068
  678   1HD   ARG  88          2HD       ARG  88   4.131   6.645  16.442
  679   2HD   ARG  88          1HD       ARG  88   2.796   7.511  17.197
  680    HE   ARG  88           HE       ARG  88   3.814   7.258  19.250
  681   1HH1  ARG  88          1HH1      ARG  88   5.535   5.405  16.847
  682   2HH1  ARG  88          2HH1      ARG  88   6.844   5.008  17.909
  683   1HH2  ARG  88          1HH2      ARG  88   5.533   6.740  20.646
  684   2HH2  ARG  88          2HH2      ARG  88   6.844   5.767  20.066
  685    H    TRP  89           H        TRP  89   1.874   4.863  14.893
  686    HA   TRP  89           HA       TRP  89   1.003   2.478  13.398
  687   1HB   TRP  89          2HB       TRP  89  -0.382   2.948  15.453
  688   2HB   TRP  89          1HB       TRP  89  -0.842   4.481  14.721
  689    HD1  TRP  89           HD       TRP  89  -0.695   1.034  12.961
  690    HE1  TRP  89           1HE      TRP  89  -3.036   0.512  12.030
  691    HE3  TRP  89           3HE      TRP  89  -3.226   5.067  14.823
  692    HZ2  TRP  89           2HZ      TRP  89  -5.615   1.657  12.078
  693    HZ3  TRP  89           3HZ      TRP  89  -5.629   5.277  14.336
  694    HH2  TRP  89           HH       TRP  89  -6.796   3.608  12.991
  695    H    GLY  90           H        GLY  90   2.396   5.266  12.945
  696   1HA   GLY  90          2HA       GLY  90   0.648   6.186  10.757
  697   2HA   GLY  90          1HA       GLY  90   1.831   7.174  11.580
  698    HA   PRO  91           HA       PRO  91   3.603   5.305   7.614
  699   1HB   PRO  91          2HB       PRO  91   3.241   7.885   6.324
  700   2HB   PRO  91          1HB       PRO  91   2.627   6.310   5.826
  701   1HG   PRO  91          2HG       PRO  91   1.030   8.312   6.717
  702   2HG   PRO  91          1HG       PRO  91   0.641   6.595   6.938
  703   1HD   PRO  91          2HD       PRO  91   1.847   8.538   8.872
  704   2HD   PRO  91          1HD       PRO  91   0.572   7.330   9.145
  705    H    ARG  92           H        ARG  92   3.843   8.595   8.899
  706    HA   ARG  92           HA       ARG  92   5.651   9.774   9.651
  707   1HB   ARG  92          2HB       ARG  92   6.738   7.609  10.252
  708   2HB   ARG  92          1HB       ARG  92   7.373   7.513   8.619
  709   1HG   ARG  92          2HG       ARG  92   8.041   9.738  10.546
  710   2HG   ARG  92          1HG       ARG  92   9.001   8.282  10.338
  711   1HD   ARG  92          2HD       ARG  92   9.591   8.856   8.142
  712   2HD   ARG  92          1HD       ARG  92   8.320  10.068   8.030
  713    HE   ARG  92           HE       ARG  92  10.937  10.447   9.069
  714   1HH1  ARG  92          1HH1      ARG  92   7.621  11.449   9.433
  715   2HH1  ARG  92          2HH1      ARG  92   8.026  12.999  10.091
  716   1HH2  ARG  92          1HH2      ARG  92  11.480  12.491   9.933
  717   2HH2  ARG  92          2HH2      ARG  92  10.217  13.592  10.373
  718    H    THR  93           H        THR  93   5.955   8.157   6.633
  719    HA   THR  93           HA       THR  93   6.033  10.539   5.084
  720    HB   THR  93           HB       THR  93   8.305   9.818   4.013
  721    HG1  THR  93           1HG      THR  93   9.318   8.330   5.032
  722   1HG2  THR  93          1HG2      THR  93   9.432  11.464   5.093
  723   2HG2  THR  93          2HG2      THR  93   8.786  11.028   6.675
  724   3HG2  THR  93          3HG2      THR  93   7.777  11.896   5.518
  725    H    LEU  94           H        LEU  94   7.847   7.670   4.232
  726    HA   LEU  94           HA       LEU  94   5.762   6.943   2.281
  727   1HB   LEU  94          2HB       LEU  94   8.045   7.551   1.438
  728   2HB   LEU  94          1HB       LEU  94   8.692   6.187   2.327
  729    HG   LEU  94           HG       LEU  94   7.253   4.681   0.945
  730   1HD1  LEU  94          1HD1      LEU  94   6.795   7.156  -0.707
  731   2HD1  LEU  94          2HD1      LEU  94   5.587   6.407   0.338
  732   3HD1  LEU  94          3HD1      LEU  94   6.221   5.527  -1.054
  733   1HD2  LEU  94          1HD2      LEU  94   8.829   6.157  -1.054
  734   2HD2  LEU  94          2HD2      LEU  94   8.902   4.461  -0.574
  735   3HD2  LEU  94          3HD2      LEU  94   9.698   5.692   0.408
  736    H    ASP  95           H        ASP  95   5.240   4.729   2.013
  737    HA   ASP  95           HA       ASP  95   6.299   2.715   3.714
  738   1HB   ASP  95          2HB       ASP  95   4.218   2.306   5.026
  739   2HB   ASP  95          1HB       ASP  95   5.018   3.820   5.437
  740    H    LEU  96           H        LEU  96   6.479   1.661   1.742
  741    HA   LEU  96           HA       LEU  96   3.943   0.829   0.510
  742   1HB   LEU  96          2HB       LEU  96   5.263   0.227  -1.476
  743   2HB   LEU  96          1HB       LEU  96   5.413   1.922  -1.071
  744    HG   LEU  96           HG       LEU  96   7.499  -0.133  -0.345
  745   1HD1  LEU  96          1HD1      LEU  96   7.609   1.781  -2.660
  746   2HD1  LEU  96          2HD1      LEU  96   7.075   0.106  -2.826
  747   3HD1  LEU  96          3HD1      LEU  96   8.714   0.460  -2.280
  748   1HD2  LEU  96          1HD2      LEU  96   8.764   2.239  -0.559
  749   2HD2  LEU  96          2HD2      LEU  96   8.112   1.610   0.954
  750   3HD2  LEU  96          3HD2      LEU  96   7.184   2.776   0.011
  751    H    ASP  97           H        ASP  97   3.302  -0.937   1.569
  752    HA   ASP  97           HA       ASP  97   5.224  -3.154   1.795
  753   1HB   ASP  97          2HB       ASP  97   3.068  -2.411   3.786
  754   2HB   ASP  97          1HB       ASP  97   4.127  -3.812   3.895
  755    H    ILE  98           H        ILE  98   4.329  -5.280   1.764
  756    HA   ILE  98           HA       ILE  98   2.383  -5.662  -0.240
  757    HB   ILE  98           HB       ILE  98   3.561  -7.599   1.765
  758   1HG1  ILE  98          2HG1      ILE  98   4.164  -7.079  -1.155
  759   2HG1  ILE  98          1HG1      ILE  98   5.191  -6.687   0.212
  760   1HG2  ILE  98          1HG2      ILE  98   1.538  -7.980  -0.392
  761   2HG2  ILE  98          2HG2      ILE  98   1.655  -8.742   1.195
  762   3HG2  ILE  98          3HG2      ILE  98   2.726  -9.252  -0.111
  763   1HD1  ILE  98          1HD1      ILE  98   4.498  -9.474   0.228
  764   2HD1  ILE  98          2HD1      ILE  98   6.085  -8.705   0.195
  765   3HD1  ILE  98          3HD1      ILE  98   5.218  -9.006  -1.311
  766    H    MET  99           H        MET  99   0.413  -4.785   0.219
  767    HA   MET  99           HA       MET  99  -0.909  -5.320   2.758
  768   1HB   MET  99          2HB       MET  99  -1.859  -3.766   0.345
  769   2HB   MET  99          1HB       MET  99  -2.657  -3.827   1.910
  770   1HG   MET  99          2HG       MET  99   0.074  -2.695   1.355
  771   2HG   MET  99          1HG       MET  99  -1.399  -1.772   1.646
  772   1HE   MET  99          1HE       MET  99   1.198  -1.218   3.057
  773   2HE   MET  99          2HE       MET  99   0.964  -1.290   4.803
  774   3HE   MET  99          3HE       MET  99  -0.165  -0.381   3.798
  775    H    LEU 100           H        LEU 100  -0.853  -6.647  -0.419
  776    HA   LEU 100           HA       LEU 100  -2.677  -8.708   0.319
  777   1HB   LEU 100          2HB       LEU 100  -3.767  -6.377  -0.870
  778   2HB   LEU 100          1HB       LEU 100  -3.829  -7.644  -2.083
  779    HG   LEU 100           HG       LEU 100  -4.955  -7.862   0.705
  780   1HD1  LEU 100          1HD1      LEU 100  -7.033  -7.318  -0.093
  781   2HD1  LEU 100          2HD1      LEU 100  -6.638  -7.777  -1.749
  782   3HD1  LEU 100          3HD1      LEU 100  -6.024  -6.262  -1.081
  783   1HD2  LEU 100          1HD2      LEU 100  -4.826 -10.052   0.262
  784   2HD2  LEU 100          2HD2      LEU 100  -4.515  -9.780  -1.453
  785   3HD2  LEU 100          3HD2      LEU 100  -6.169  -9.759  -0.843
  786    H    PHE 101           H        PHE 101  -0.980 -10.102  -0.273
  787    HA   PHE 101           HA       PHE 101  -0.087  -9.964  -3.061
  788   1HB   PHE 101          2HB       PHE 101   1.568 -10.230  -1.164
  789   2HB   PHE 101          1HB       PHE 101   0.919 -11.852  -0.929
  790    HD1  PHE 101           1HD      PHE 101   1.659 -13.639  -2.233
  791    HD2  PHE 101           2HD      PHE 101   2.574  -9.655  -3.414
  792    HE1  PHE 101           1HE      PHE 101   3.199 -14.505  -3.946
  793    HE2  PHE 101           2HE      PHE 101   4.109 -10.515  -5.135
  794    HZ   PHE 101           HZ       PHE 101   4.373 -12.928  -5.453
  795    H    GLY 102           H        GLY 102  -2.171 -10.664  -3.878
  796   1HA   GLY 102          2HA       GLY 102  -3.459 -12.279  -4.877
  797   2HA   GLY 102          1HA       GLY 102  -2.201 -13.432  -4.466
  798    H    ASN 103           H        ASN 103  -2.839 -15.039  -3.215
  799    HA   ASN 103           HA       ASN 103  -4.957 -14.540  -1.226
  800   1HB   ASN 103          2HB       ASN 103  -5.881 -16.767  -1.713
  801   2HB   ASN 103          1HB       ASN 103  -5.927 -15.728  -3.136
  802   1HD2  ASN 103          1HD2      ASN 103  -4.762 -18.622  -1.778
  803   2HD2  ASN 103          2HD2      ASN 103  -3.865 -19.179  -3.143
  804    H    GLU 104           H        GLU 104  -1.811 -15.223  -1.509
  805    HA   GLU 104           HA       GLU 104  -1.754 -17.428   0.371
  806   1HB   GLU 104          2HB       GLU 104   0.749 -17.144   0.154
  807   2HB   GLU 104          1HB       GLU 104  -0.140 -17.721  -1.233
  808   1HG   GLU 104          2HG       GLU 104  -0.172 -15.184  -1.882
  809   2HG   GLU 104          1HG       GLU 104   1.211 -15.113  -0.794
  810    H    VAL 105           H        VAL 105  -1.072 -17.387   2.381
  811    HA   VAL 105           HA       VAL 105  -0.897 -14.741   3.633
  812    HB   VAL 105           HB       VAL 105  -1.877 -17.406   4.595
  813   1HG1  VAL 105          1HG1      VAL 105  -0.871 -15.116   6.159
  814   2HG1  VAL 105          2HG1      VAL 105  -1.054 -16.808   6.623
  815   3HG1  VAL 105          3HG1      VAL 105  -2.448 -15.727   6.660
  816   1HG2  VAL 105          1HG2      VAL 105  -3.453 -16.110   3.293
  817   2HG2  VAL 105          2HG2      VAL 105  -3.196 -14.707   4.331
  818   3HG2  VAL 105          3HG2      VAL 105  -3.964 -16.157   4.981
  819    H    ILE 106           H        ILE 106   1.312 -14.409   3.513
  820    HA   ILE 106           HA       ILE 106   2.901 -16.140   5.267
  821    HB   ILE 106           HB       ILE 106   3.857 -14.931   2.665
  822   1HG1  ILE 106          2HG1      ILE 106   4.436 -17.395   2.221
  823   2HG1  ILE 106          1HG1      ILE 106   3.363 -17.766   3.568
  824   1HG2  ILE 106          1HG2      ILE 106   5.855 -14.830   3.636
  825   2HG2  ILE 106          2HG2      ILE 106   5.845 -16.594   3.622
  826   3HG2  ILE 106          3HG2      ILE 106   5.296 -15.720   5.053
  827   1HD1  ILE 106          1HD1      ILE 106   1.658 -16.326   2.225
  828   2HD1  ILE 106          2HD1      ILE 106   1.963 -18.004   1.775
  829   3HD1  ILE 106          3HD1      ILE 106   2.720 -16.694   0.869
  830    H    ASN 107           H        ASN 107   2.990 -14.893   6.993
  831    HA   ASN 107           HA       ASN 107   3.786 -12.077   6.707
  832   1HB   ASN 107          2HB       ASN 107   2.900 -13.300   9.300
  833   2HB   ASN 107          1HB       ASN 107   2.731 -11.639   8.738
  834   1HD2  ASN 107          1HD2      ASN 107   0.878 -11.041   7.855
  835   2HD2  ASN 107          2HD2      ASN 107  -0.430 -12.090   7.453
  836    H    THR 108           H        THR 108   5.940 -11.924   6.726
  837    HA   THR 108           HA       THR 108   7.408 -13.732   8.532
  838    HB   THR 108           HB       THR 108   9.421 -13.139   7.290
  839    HG1  THR 108           1HG      THR 108   7.921 -11.069   6.501
  840   1HG2  THR 108          1HG2      THR 108   8.999 -14.577   5.660
  841   2HG2  THR 108          2HG2      THR 108   7.736 -13.558   4.970
  842   3HG2  THR 108          3HG2      THR 108   7.357 -14.649   6.303
  843    H    GLU 109           H        GLU 109   9.666 -11.566   8.160
  844    HA   GLU 109           HA       GLU 109   9.194 -10.389  10.760
  845   1HB   GLU 109          2HB       GLU 109  11.544 -10.139   8.879
  846   2HB   GLU 109          1HB       GLU 109  11.493  -9.518  10.522
  847   1HG   GLU 109          2HG       GLU 109  11.222 -11.792  11.374
  848   2HG   GLU 109          1HG       GLU 109  11.284 -12.412   9.725
  849    H    ARG 110           H        ARG 110  10.782  -8.662   8.137
  850    HA   ARG 110           HA       ARG 110   9.382  -6.245   8.788
  851   1HB   ARG 110          2HB       ARG 110  11.133  -6.850   6.388
  852   2HB   ARG 110          1HB       ARG 110  10.637  -5.256   6.933
  853   1HG   ARG 110          2HG       ARG 110  12.336  -7.141   8.550
  854   2HG   ARG 110          1HG       ARG 110  12.964  -5.841   7.537
  855   1HD   ARG 110          2HD       ARG 110  11.086  -5.503   9.873
  856   2HD   ARG 110          1HD       ARG 110  12.817  -5.176   9.893
  857    HE   ARG 110           HE       ARG 110  10.807  -3.424   9.007
  858   1HH1  ARG 110          1HH1      ARG 110  13.988  -4.535   8.109
  859   2HH1  ARG 110          2HH1      ARG 110  14.401  -3.075   7.272
  860   1HH2  ARG 110          1HH2      ARG 110  11.346  -1.502   7.910
  861   2HH2  ARG 110          2HH2      ARG 110  12.899  -1.353   7.160
  862    H    LEU 111           H        LEU 111   8.923  -8.934   6.806
  863    HA   LEU 111           HA       LEU 111   7.005  -7.585   5.069
  864   1HB   LEU 111          2HB       LEU 111   8.469  -9.040   3.860
  865   2HB   LEU 111          1HB       LEU 111   8.258 -10.317   5.028
  866    HG   LEU 111           HG       LEU 111   7.143 -10.593   2.775
  867   1HD1  LEU 111          1HD1      LEU 111   4.880 -10.999   4.437
  868   2HD1  LEU 111          2HD1      LEU 111   6.339 -11.358   5.360
  869   3HD1  LEU 111          3HD1      LEU 111   6.040 -12.180   3.829
  870   1HD2  LEU 111          1HD2      LEU 111   5.685  -8.248   3.783
  871   2HD2  LEU 111          2HD2      LEU 111   4.694  -9.525   3.076
  872   3HD2  LEU 111          3HD2      LEU 111   5.982  -8.781   2.128
  873    H    THR 112           H        THR 112   4.907  -7.925   5.109
  874    HA   THR 112           HA       THR 112   3.734  -9.993   6.782
  875    HB   THR 112           HB       THR 112   2.015  -8.110   7.421
  876    HG1  THR 112           1HG      THR 112   2.761  -6.338   6.492
  877   1HG2  THR 112          1HG2      THR 112   3.774  -9.378   8.914
  878   2HG2  THR 112          2HG2      THR 112   2.847  -8.005   9.521
  879   3HG2  THR 112          3HG2      THR 112   4.508  -7.775   8.974
  880    H    VAL 113           H        VAL 113   1.954 -10.887   5.750
  881    HA   VAL 113           HA       VAL 113   1.382  -9.767   3.161
  882    HB   VAL 113           HB       VAL 113  -0.289 -11.740   3.045
  883   1HG1  VAL 113          1HG1      VAL 113   2.089 -13.202   3.134
  884   2HG1  VAL 113          2HG1      VAL 113   2.533 -11.561   2.671
  885   3HG1  VAL 113          3HG1      VAL 113   1.329 -12.446   1.733
  886   1HG2  VAL 113          1HG2      VAL 113   1.379 -12.971   5.170
  887   2HG2  VAL 113          2HG2      VAL 113  -0.225 -13.416   4.587
  888   3HG2  VAL 113          3HG2      VAL 113  -0.025 -12.004   5.624
  889    HA   PRO 114           HA       PRO 114  -2.765  -7.880   3.381
  890   1HB   PRO 114          2HB       PRO 114  -3.856 -10.543   4.245
  891   2HB   PRO 114          1HB       PRO 114  -4.598  -9.317   3.213
  892   1HG   PRO 114          2HG       PRO 114  -3.163 -11.518   2.293
  893   2HG   PRO 114          1HG       PRO 114  -3.511 -10.058   1.355
  894   1HD   PRO 114          2HD       PRO 114  -0.961 -10.966   2.168
  895   2HD   PRO 114          1HD       PRO 114  -1.343  -9.369   1.492
  896    H    HIS 115           H        HIS 115  -1.852  -6.739   5.117
  897    HA   HIS 115           HA       HIS 115  -1.842  -7.663   7.797
  898   1HB   HIS 115          2HB       HIS 115  -0.353  -5.891   6.808
  899   2HB   HIS 115          1HB       HIS 115  -1.743  -4.817   6.782
  900    HD1  HIS 115           1HD      HIS 115  -2.921  -5.067   9.504
  901    HD2  HIS 115           2HD      HIS 115   1.184  -5.073   8.847
  902    HE1  HIS 115           1HE      HIS 115  -1.891  -4.351  11.683
  903    HE2  HIS 115           2HE      HIS 115   0.594  -4.425  11.283
  904    H    TYR 116           H        TYR 116  -3.678  -8.060   8.885
  905    HA   TYR 116           HA       TYR 116  -6.220  -7.247   8.334
  906   1HB   TYR 116          2HB       TYR 116  -6.475  -7.342  10.976
  907   2HB   TYR 116          1HB       TYR 116  -6.220  -8.796  10.021
  908    HD1  TYR 116           1HD      TYR 116  -3.674  -6.248  11.041
  909    HD2  TYR 116           2HD      TYR 116  -5.134 -10.217  11.509
  910    HE1  TYR 116           1HE      TYR 116  -1.712  -6.802  12.409
  911    HE2  TYR 116           2HE      TYR 116  -3.171 -10.781  12.874
  912    HH   TYR 116           HH       TYR 116  -1.372  -8.859  14.395
  913    H    ASP 117           H        ASP 117  -6.340  -5.167   7.593
  914    HA   ASP 117           HA       ASP 117  -6.872  -3.127   9.479
  915   1HB   ASP 117          2HB       ASP 117  -4.295  -3.272   9.447
  916   2HB   ASP 117          1HB       ASP 117  -4.408  -2.613   7.822
  917    H    MET 118           H        MET 118  -5.546  -3.535   6.195
  918    HA   MET 118           HA       MET 118  -6.788  -1.401   4.953
  919   1HB   MET 118          2HB       MET 118  -6.335  -2.500   2.885
  920   2HB   MET 118          1HB       MET 118  -5.029  -2.911   3.984
  921   1HG   MET 118          2HG       MET 118  -7.368  -4.682   3.313
  922   2HG   MET 118          1HG       MET 118  -5.750  -4.814   2.631
  923   1HE   MET 118          1HE       MET 118  -5.312  -7.703   3.912
  924   2HE   MET 118          2HE       MET 118  -6.875  -7.096   3.363
  925   3HE   MET 118          3HE       MET 118  -6.717  -7.795   4.974
  926    H    LYS 119           H        LYS 119  -7.956  -4.675   5.394
  927    HA   LYS 119           HA       LYS 119 -10.377  -4.390   3.958
  928   1HB   LYS 119          2HB       LYS 119 -10.871  -6.573   5.145
  929   2HB   LYS 119          1HB       LYS 119  -9.404  -6.501   4.160
  930   1HG   LYS 119          2HG       LYS 119  -8.571  -7.496   6.026
  931   2HG   LYS 119          1HG       LYS 119  -8.294  -5.805   6.421
  932   1HD   LYS 119          2HD       LYS 119  -9.233  -6.936   8.342
  933   2HD   LYS 119          1HD       LYS 119 -10.406  -5.784   7.702
  934   1HE   LYS 119          2HE       LYS 119 -11.560  -7.609   6.546
  935   2HE   LYS 119          1HE       LYS 119 -10.385  -8.758   7.186
  936   1HZ   LYS 119          1HZ       LYS 119 -12.575  -8.557   8.406
  937   2HZ   LYS 119          2HZ       LYS 119 -12.030  -7.055   8.958
  938   3HZ   LYS 119          3HZ       LYS 119 -11.176  -8.460   9.353
  939    H    ASN 120           H        ASN 120  -9.692  -2.645   6.486
  940    HA   ASN 120           HA       ASN 120 -12.420  -2.798   7.584
  941   1HB   ASN 120          2HB       ASN 120  -9.917  -2.105   9.144
  942   2HB   ASN 120          1HB       ASN 120 -11.553  -2.175   9.784
  943   1HD2  ASN 120          1HD2      ASN 120  -8.779  -3.726   9.800
  944   2HD2  ASN 120          2HD2      ASN 120  -9.303  -5.364   9.967
  945    H    ARG 121           H        ARG 121 -10.482  -1.153   5.673
  946    HA   ARG 121           HA       ARG 121 -11.655   1.450   6.358
  947   1HB   ARG 121          2HB       ARG 121  -8.776   1.102   5.515
  948   2HB   ARG 121          1HB       ARG 121  -9.556   2.570   6.091
  949   1HG   ARG 121          2HG       ARG 121  -9.573   0.262   7.930
  950   2HG   ARG 121          1HG       ARG 121  -8.013   1.020   7.631
  951   1HD   ARG 121          2HD       ARG 121  -9.045   3.212   8.219
  952   2HD   ARG 121          1HD       ARG 121 -10.527   2.354   8.638
  953    HE   ARG 121           HE       ARG 121  -8.257   2.666  10.277
  954   1HH1  ARG 121          1HH1      ARG 121 -10.619   0.268   9.371
  955   2HH1  ARG 121          2HH1      ARG 121 -10.495  -0.602  10.862
  956   1HH2  ARG 121          1HH2      ARG 121  -8.092   1.524  12.242
  957   2HH2  ARG 121          2HH2      ARG 121  -9.061   0.110  12.491
  958    H    GLY 122           H        GLY 122 -10.488   2.956   4.342
  959   1HA   GLY 122          2HA       GLY 122 -11.181   1.505   1.865
  960   2HA   GLY 122          1HA       GLY 122 -11.821   3.108   2.177
  961    H    PHE 123           H        PHE 123  -8.903   3.308   3.558
  962    HA   PHE 123           HA       PHE 123  -7.832   4.724   1.337
  963   1HB   PHE 123          2HB       PHE 123  -5.783   4.986   2.816
  964   2HB   PHE 123          1HB       PHE 123  -7.283   5.685   3.397
  965    HD1  PHE 123           1HD      PHE 123  -5.603   2.351   3.625
  966    HD2  PHE 123           2HD      PHE 123  -7.562   5.541   5.643
  967    HE1  PHE 123           1HE      PHE 123  -5.306   1.176   5.764
  968    HE2  PHE 123           2HE      PHE 123  -7.267   4.373   7.786
  969    HZ   PHE 123           HZ       PHE 123  -6.136   2.188   7.850
  970    H    MET 124           H        MET 124  -7.289   1.555   2.711
  971    HA   MET 124           HA       MET 124  -5.104   1.059   0.849
  972   1HB   MET 124          2HB       MET 124  -6.307  -0.571   3.083
  973   2HB   MET 124          1HB       MET 124  -5.153  -1.258   1.948
  974   1HG   MET 124          2HG       MET 124  -3.501   0.421   2.586
  975   2HG   MET 124          1HG       MET 124  -4.653   1.133   3.710
  976   1HE   MET 124          1HE       MET 124  -2.122   0.795   4.626
  977   2HE   MET 124          2HE       MET 124  -1.702  -0.575   5.654
  978   3HE   MET 124          3HE       MET 124  -2.929   0.577   6.178
  979    H    LEU 125           H        LEU 125  -8.456   0.116   1.353
  980    HA   LEU 125           HA       LEU 125  -8.403  -1.831  -0.772
  981   1HB   LEU 125          2HB       LEU 125 -10.761  -0.723   0.723
  982   2HB   LEU 125          1HB       LEU 125 -10.746  -2.155  -0.285
  983    HG   LEU 125           HG       LEU 125  -9.311  -1.793   2.342
  984   1HD1  LEU 125          1HD1      LEU 125 -11.923  -2.781   1.572
  985   2HD1  LEU 125          2HD1      LEU 125 -11.281  -2.399   3.170
  986   3HD1  LEU 125          3HD1      LEU 125 -10.986  -3.985   2.458
  987   1HD2  LEU 125          1HD2      LEU 125  -8.489  -3.999   2.135
  988   2HD2  LEU 125          2HD2      LEU 125  -8.091  -3.190   0.621
  989   3HD2  LEU 125          3HD2      LEU 125  -9.455  -4.305   0.692
  990    H    TRP 126           H        TRP 126 -10.073   1.349  -0.372
  991    HA   TRP 126           HA       TRP 126 -11.480   1.398  -2.708
  992   1HB   TRP 126          2HB       TRP 126 -11.721   3.157  -1.123
  993   2HB   TRP 126          1HB       TRP 126 -10.053   3.663  -1.335
  994    HD1  TRP 126           HD       TRP 126 -10.516   6.057  -2.080
  995    HE1  TRP 126           1HE      TRP 126 -11.572   7.136  -4.173
  996    HE3  TRP 126           3HE      TRP 126 -12.612   1.890  -4.172
  997    HZ2  TRP 126           2HZ      TRP 126 -13.093   6.321  -6.406
  998    HZ3  TRP 126           3HZ      TRP 126 -13.853   2.126  -6.281
  999    HH2  TRP 126           HH       TRP 126 -14.088   4.297  -7.375
 1000    HA   PRO 127           HA       PRO 127  -7.708   3.149  -5.234
 1001   1HB   PRO 127          2HB       PRO 127  -5.382   2.332  -3.616
 1002   2HB   PRO 127          1HB       PRO 127  -5.705   3.872  -4.419
 1003   1HG   PRO 127          2HG       PRO 127  -5.818   3.646  -1.758
 1004   2HG   PRO 127          1HG       PRO 127  -6.947   4.686  -2.650
 1005   1HD   PRO 127          2HD       PRO 127  -7.390   1.941  -1.517
 1006   2HD   PRO 127          1HD       PRO 127  -8.467   3.360  -1.481
 1007    H    LEU 128           H        LEU 128  -7.038   0.311  -3.228
 1008    HA   LEU 128           HA       LEU 128  -5.658  -1.215  -5.156
 1009   1HB   LEU 128          2HB       LEU 128  -6.223  -1.491  -2.518
 1010   2HB   LEU 128          1HB       LEU 128  -7.355  -2.627  -3.209
 1011    HG   LEU 128           HG       LEU 128  -5.510  -3.815  -4.301
 1012   1HD1  LEU 128          1HD1      LEU 128  -3.257  -3.281  -3.930
 1013   2HD1  LEU 128          2HD1      LEU 128  -3.642  -2.171  -2.613
 1014   3HD1  LEU 128          3HD1      LEU 128  -4.017  -1.730  -4.279
 1015   1HD2  LEU 128          1HD2      LEU 128  -6.418  -4.113  -1.841
 1016   2HD2  LEU 128          2HD2      LEU 128  -4.777  -3.627  -1.421
 1017   3HD2  LEU 128          3HD2      LEU 128  -5.044  -5.049  -2.427
 1018    H    PHE 129           H        PHE 129  -8.996  -0.598  -4.576
 1019    HA   PHE 129           HA       PHE 129 -10.194  -2.764  -5.932
 1020   1HB   PHE 129          2HB       PHE 129 -11.505  -1.284  -4.524
 1021   2HB   PHE 129          1HB       PHE 129 -11.108   0.108  -5.524
 1022    HD1  PHE 129           1HD      PHE 129 -12.626   0.807  -7.090
 1023    HD2  PHE 129           2HD      PHE 129 -12.731  -3.242  -5.787
 1024    HE1  PHE 129           1HE      PHE 129 -14.657   0.437  -8.425
 1025    HE2  PHE 129           2HE      PHE 129 -14.762  -3.622  -7.124
 1026    HZ   PHE 129           HZ       PHE 129 -15.728  -1.781  -8.444
 1027    H    GLU 130           H        GLU 130  -8.290  -0.190  -7.056
 1028    HA   GLU 130           HA       GLU 130  -9.345  -0.382  -9.784
 1029   1HB   GLU 130          2HB       GLU 130  -7.518   1.686  -8.552
 1030   2HB   GLU 130          1HB       GLU 130  -8.074   1.691 -10.220
 1031   1HG   GLU 130          2HG       GLU 130 -10.386   1.901  -9.438
 1032   2HG   GLU 130          1HG       GLU 130  -9.810   1.929  -7.772
 1033    H    ILE 131           H        ILE 131  -6.463  -0.855  -7.829
 1034    HA   ILE 131           HA       ILE 131  -4.677  -1.225 -10.022
 1035    HB   ILE 131           HB       ILE 131  -3.072  -1.936  -8.416
 1036   1HG1  ILE 131          2HG1      ILE 131  -3.985  -2.218  -5.933
 1037   2HG1  ILE 131          1HG1      ILE 131  -5.462  -2.684  -6.765
 1038   1HG2  ILE 131          1HG2      ILE 131  -3.368  -0.207  -6.607
 1039   2HG2  ILE 131          2HG2      ILE 131  -4.951   0.131  -7.305
 1040   3HG2  ILE 131          3HG2      ILE 131  -3.491   0.385  -8.261
 1041   1HD1  ILE 131          1HD1      ILE 131  -2.839  -4.063  -6.634
 1042   2HD1  ILE 131          2HD1      ILE 131  -3.856  -4.293  -8.056
 1043   3HD1  ILE 131          3HD1      ILE 131  -4.471  -4.709  -6.457
 1044    H    ALA 132           H        ALA 132  -6.810  -3.237  -8.214
 1045    HA   ALA 132           HA       ALA 132  -7.185  -5.180 -10.100
 1046   1HB   ALA 132          1HB       ALA 132  -5.543  -6.658  -8.186
 1047   2HB   ALA 132          2HB       ALA 132  -4.629  -5.516  -9.171
 1048   3HB   ALA 132          3HB       ALA 132  -5.605  -6.765  -9.945
 1049    HA   PRO 133           HA       PRO 133  -9.846  -5.687  -6.439
 1050   1HB   PRO 133          2HB       PRO 133 -12.109  -4.848  -7.428
 1051   2HB   PRO 133          1HB       PRO 133 -10.776  -3.684  -7.226
 1052   1HG   PRO 133          2HG       PRO 133 -11.667  -5.120  -9.722
 1053   2HG   PRO 133          1HG       PRO 133 -11.294  -3.399  -9.505
 1054   1HD   PRO 133          2HD       PRO 133  -9.508  -5.320 -10.444
 1055   2HD   PRO 133          1HD       PRO 133  -9.051  -3.747  -9.759
 1056    H    GLU 134           H        GLU 134  -9.183  -7.545  -8.907
 1057    HA   GLU 134           HA       GLU 134 -11.616  -9.186  -8.897
 1058   1HB   GLU 134          2HB       GLU 134 -10.510 -10.452 -10.699
 1059   2HB   GLU 134          1HB       GLU 134 -10.602  -8.739 -11.085
 1060   1HG   GLU 134          2HG       GLU 134  -8.261  -8.483 -10.354
 1061   2HG   GLU 134          1HG       GLU 134  -8.186 -10.221 -10.078
 1062    H    LEU 135           H        LEU 135  -9.861  -8.770  -6.661
 1063    HA   LEU 135           HA       LEU 135  -8.513 -11.324  -6.279
 1064   1HB   LEU 135          2HB       LEU 135  -7.606  -8.950  -5.782
 1065   2HB   LEU 135          1HB       LEU 135  -8.610  -9.032  -4.357
 1066    HG   LEU 135           HG       LEU 135  -6.179  -9.606  -4.074
 1067   1HD1  LEU 135          1HD1      LEU 135  -8.520 -10.852  -2.978
 1068   2HD1  LEU 135          2HD1      LEU 135  -7.006 -10.425  -2.180
 1069   3HD1  LEU 135          3HD1      LEU 135  -7.173 -11.988  -2.979
 1070   1HD2  LEU 135          1HD2      LEU 135  -5.274 -11.112  -5.423
 1071   2HD2  LEU 135          2HD2      LEU 135  -6.852 -11.518  -6.099
 1072   3HD2  LEU 135          3HD2      LEU 135  -6.271 -12.343  -4.652
 1073    H    VAL 136           H        VAL 136  -9.043 -12.757  -4.686
 1074    HA   VAL 136           HA       VAL 136 -11.331 -12.144  -2.977
 1075    HB   VAL 136           HB       VAL 136 -12.423 -13.327  -4.704
 1076   1HG1  VAL 136          1HG1      VAL 136 -11.656 -15.310  -5.750
 1077   2HG1  VAL 136          2HG1      VAL 136 -10.399 -15.552  -4.537
 1078   3HG1  VAL 136          3HG1      VAL 136 -10.269 -14.223  -5.689
 1079   1HG2  VAL 136          1HG2      VAL 136 -13.044 -15.493  -3.619
 1080   2HG2  VAL 136          2HG2      VAL 136 -13.135 -14.089  -2.555
 1081   3HG2  VAL 136          3HG2      VAL 136 -11.770 -15.201  -2.435
 1082    H    PHE 137           H        PHE 137 -10.735 -12.444  -0.963
 1083    HA   PHE 137           HA       PHE 137  -8.352 -13.650  -0.168
 1084   1HB   PHE 137          2HB       PHE 137 -10.859 -12.990   1.381
 1085   2HB   PHE 137          1HB       PHE 137  -9.404 -13.615   2.146
 1086    HD1  PHE 137           1HD      PHE 137  -9.929 -11.030  -0.511
 1087    HD2  PHE 137           2HD      PHE 137  -8.433 -11.943   3.369
 1088    HE1  PHE 137           1HE      PHE 137  -9.039  -8.746  -0.320
 1089    HE2  PHE 137           2HE      PHE 137  -7.541  -9.658   3.564
 1090    HZ   PHE 137           HZ       PHE 137  -7.845  -8.056   1.720
 1091    HA   PRO 138           HA       PRO 138  -8.930 -18.012  -0.116
 1092   1HB   PRO 138          2HB       PRO 138  -8.007 -17.895   2.718
 1093   2HB   PRO 138          1HB       PRO 138  -7.417 -18.892   1.385
 1094   1HG   PRO 138          2HG       PRO 138  -6.029 -16.780   2.203
 1095   2HG   PRO 138          1HG       PRO 138  -6.160 -17.164   0.477
 1096   1HD   PRO 138          2HD       PRO 138  -7.538 -15.041   2.056
 1097   2HD   PRO 138          1HD       PRO 138  -6.951 -15.003   0.382
 1098    H    ASP 139           H        ASP 139 -10.447 -15.908   2.112
 1099    HA   ASP 139           HA       ASP 139 -12.028 -17.857   3.499
 1100   1HB   ASP 139          2HB       ASP 139 -11.378 -15.477   4.271
 1101   2HB   ASP 139          1HB       ASP 139 -12.700 -14.935   3.245
 1102    H    GLY 140           H        GLY 140 -12.795 -15.348   1.083
 1103   1HA   GLY 140          2HA       GLY 140 -14.185 -16.604  -0.786
 1104   2HA   GLY 140          1HA       GLY 140 -15.346 -16.657   0.530
 1105    H    GLU 141           H        GLU 141 -13.435 -13.859   0.649
 1106    HA   GLU 141           HA       GLU 141 -15.620 -12.306  -0.560
 1107   1HB   GLU 141          2HB       GLU 141 -13.680 -11.652   1.643
 1108   2HB   GLU 141          1HB       GLU 141 -14.611 -10.410   0.815
 1109   1HG   GLU 141          2HG       GLU 141 -15.686 -11.053   2.885
 1110   2HG   GLU 141          1HG       GLU 141 -16.679 -11.497   1.495
 1111    H    MET 142           H        MET 142 -14.953 -10.173  -1.466
 1112    HA   MET 142           HA       MET 142 -12.352 -10.372  -2.851
 1113   1HB   MET 142          2HB       MET 142 -14.943  -9.327  -3.997
 1114   2HB   MET 142          1HB       MET 142 -13.396  -9.377  -4.833
 1115   1HG   MET 142          2HG       MET 142 -13.409 -11.829  -4.672
 1116   2HG   MET 142          1HG       MET 142 -14.990 -11.751  -3.897
 1117   1HE   MET 142          1HE       MET 142 -16.554  -9.370  -6.379
 1118   2HE   MET 142          2HE       MET 142 -16.688 -10.162  -4.809
 1119   3HE   MET 142          3HE       MET 142 -17.469 -10.868  -6.224
 1120    H    LEU 143           H        LEU 143 -11.674  -8.154  -3.809
 1121    HA   LEU 143           HA       LEU 143 -11.555  -6.293  -1.694
 1122   1HB   LEU 143          2HB       LEU 143  -9.846  -6.611  -3.476
 1123   2HB   LEU 143          1HB       LEU 143 -10.961  -5.909  -4.630
 1124    HG   LEU 143           HG       LEU 143 -10.856  -3.771  -3.492
 1125   1HD1  LEU 143          1HD1      LEU 143  -9.944  -5.335  -1.319
 1126   2HD1  LEU 143          2HD1      LEU 143 -10.272  -3.603  -1.357
 1127   3HD1  LEU 143          3HD1      LEU 143  -8.659  -4.203  -1.737
 1128   1HD2  LEU 143          1HD2      LEU 143  -9.204  -4.254  -5.203
 1129   2HD2  LEU 143          2HD2      LEU 143  -8.142  -4.978  -3.997
 1130   3HD2  LEU 143          3HD2      LEU 143  -8.505  -3.253  -3.932
 1131    H    ARG 144           H        ARG 144 -13.801  -6.930  -4.156
 1132    HA   ARG 144           HA       ARG 144 -15.002  -4.301  -4.192
 1133   1HB   ARG 144          2HB       ARG 144 -15.056  -5.558  -6.240
 1134   2HB   ARG 144          1HB       ARG 144 -15.782  -6.943  -5.433
 1135   1HG   ARG 144          2HG       ARG 144 -17.358  -5.624  -6.829
 1136   2HG   ARG 144          1HG       ARG 144 -17.846  -5.778  -5.141
 1137   1HD   ARG 144          2HD       ARG 144 -17.206  -3.559  -4.651
 1138   2HD   ARG 144          1HD       ARG 144 -16.327  -3.395  -6.170
 1139    HE   ARG 144           HE       ARG 144 -19.043  -3.926  -6.700
 1140   1HH1  ARG 144          1HH1      ARG 144 -16.966  -1.402  -5.497
 1141   2HH1  ARG 144          2HH1      ARG 144 -18.011  -0.120  -6.012
 1142   1HH2  ARG 144          1HH2      ARG 144 -20.422  -2.248  -7.386
 1143   2HH2  ARG 144          2HH2      ARG 144 -19.976  -0.602  -7.085
 1144    H    GLN 145           H        GLN 145 -15.895  -7.555  -3.064
 1145    HA   GLN 145           HA       GLN 145 -18.355  -6.845  -1.915
 1146   1HB   GLN 145          2HB       GLN 145 -17.857  -9.155  -2.325
 1147   2HB   GLN 145          1HB       GLN 145 -16.435  -9.092  -1.298
 1148   1HG   GLN 145          2HG       GLN 145 -19.153  -8.565  -0.167
 1149   2HG   GLN 145          1HG       GLN 145 -18.585 -10.214  -0.422
 1150   1HE2  GLN 145          1HE2      GLN 145 -15.852  -8.606   0.153
 1151   2HE2  GLN 145          2HE2      GLN 145 -15.740  -8.751   1.864
 1152    H    ILE 146           H        ILE 146 -15.083  -6.881  -0.574
 1153    HA   ILE 146           HA       ILE 146 -15.771  -6.344   2.100
 1154    HB   ILE 146           HB       ILE 146 -13.243  -5.585   0.633
 1155   1HG1  ILE 146          2HG1      ILE 146 -13.845  -7.986   2.377
 1156   2HG1  ILE 146          1HG1      ILE 146 -13.779  -8.017   0.618
 1157   1HG2  ILE 146          1HG2      ILE 146 -13.401  -4.292   2.636
 1158   2HG2  ILE 146          2HG2      ILE 146 -12.257  -5.600   2.933
 1159   3HG2  ILE 146          3HG2      ILE 146 -13.898  -5.701   3.572
 1160   1HD1  ILE 146          1HD1      ILE 146 -11.486  -7.319   2.438
 1161   2HD1  ILE 146          2HD1      ILE 146 -11.432  -7.415   0.678
 1162   3HD1  ILE 146          3HD1      ILE 146 -11.730  -8.868   1.632
 1163    H    LEU 147           H        LEU 147 -14.627  -4.117  -0.436
 1164    HA   LEU 147           HA       LEU 147 -14.933  -1.771   1.033
 1165   1HB   LEU 147          2HB       LEU 147 -14.829  -2.402  -1.882
 1166   2HB   LEU 147          1HB       LEU 147 -15.214  -0.770  -1.367
 1167    HG   LEU 147           HG       LEU 147 -12.714  -2.272  -0.599
 1168   1HD1  LEU 147          1HD1      LEU 147 -13.338  -1.087  -3.038
 1169   2HD1  LEU 147          2HD1      LEU 147 -11.734  -1.523  -2.449
 1170   3HD1  LEU 147          3HD1      LEU 147 -12.357   0.107  -2.191
 1171   1HD2  LEU 147          1HD2      LEU 147 -13.788   0.454   0.033
 1172   2HD2  LEU 147          2HD2      LEU 147 -12.053   0.139   0.028
 1173   3HD2  LEU 147          3HD2      LEU 147 -13.109  -0.755   1.121
 1174    H    HIS 148           H        HIS 148 -17.269  -3.596  -0.834
 1175    HA   HIS 148           HA       HIS 148 -19.304  -1.719  -1.073
 1176   1HB   HIS 148          2HB       HIS 148 -19.393  -3.911  -2.156
 1177   2HB   HIS 148          1HB       HIS 148 -19.526  -4.700  -0.590
 1178    HD1  HIS 148           1HD      HIS 148 -21.791  -3.820   0.805
 1179    HD2  HIS 148           2HD      HIS 148 -21.787  -3.548  -3.341
 1180    HE1  HIS 148           1HE      HIS 148 -24.208  -3.634   0.142
 1181    HE2  HIS 148           2HE      HIS 148 -24.169  -3.332  -2.358
 1182    H    THR 149           H        THR 149 -18.032  -3.243   1.705
 1183    HA   THR 149           HA       THR 149 -20.285  -2.268   3.326
 1184    HB   THR 149           HB       THR 149 -18.390  -4.563   3.879
 1185    HG1  THR 149           1HG      THR 149 -20.965  -4.375   2.830
 1186   1HG2  THR 149          1HG2      THR 149 -19.672  -5.091   5.799
 1187   2HG2  THR 149          2HG2      THR 149 -20.847  -3.823   5.447
 1188   3HG2  THR 149          3HG2      THR 149 -19.207  -3.395   5.938
 1189    H    ARG 150           H        ARG 150 -17.014  -1.721   2.607
 1190    HA   ARG 150           HA       ARG 150 -16.335  -0.803   5.290
 1191   1HB   ARG 150          2HB       ARG 150 -14.723  -0.662   2.742
 1192   2HB   ARG 150          1HB       ARG 150 -14.133  -0.312   4.361
 1193   1HG   ARG 150          2HG       ARG 150 -15.187  -2.987   3.491
 1194   2HG   ARG 150          1HG       ARG 150 -13.486  -2.529   3.475
 1195   1HD   ARG 150          2HD       ARG 150 -13.896  -3.755   5.488
 1196   2HD   ARG 150          1HD       ARG 150 -13.673  -2.064   5.926
 1197    HE   ARG 150           HE       ARG 150 -16.411  -2.543   5.568
 1198   1HH1  ARG 150          1HH1      ARG 150 -13.820  -3.398   7.737
 1199   2HH1  ARG 150          2HH1      ARG 150 -14.862  -3.608   9.105
 1200   1HH2  ARG 150          1HH2      ARG 150 -17.788  -2.817   7.365
 1201   2HH2  ARG 150          2HH2      ARG 150 -17.116  -3.276   8.893
 1202    H    ALA 151           H        ALA 151 -15.853   0.747   2.123
 1203    HA   ALA 151           HA       ALA 151 -17.392   2.906   2.066
 1204   1HB   ALA 151          1HB       ALA 151 -16.982   3.595   4.299
 1205   2HB   ALA 151          2HB       ALA 151 -16.127   4.732   3.257
 1206   3HB   ALA 151          3HB       ALA 151 -15.236   3.459   4.093
 1207    H    PHE 152           H        PHE 152 -16.137   1.750   0.097
 1208    HA   PHE 152           HA       PHE 152 -13.629   2.920  -0.619
 1209   1HB   PHE 152          2HB       PHE 152 -13.994   1.872  -2.813
 1210   2HB   PHE 152          1HB       PHE 152 -14.311   0.738  -1.503
 1211    HD1  PHE 152           1HD      PHE 152 -15.649   2.396  -4.379
 1212    HD2  PHE 152           2HD      PHE 152 -16.664   0.311  -0.825
 1213    HE1  PHE 152           1HE      PHE 152 -17.905   1.979  -5.284
 1214    HE2  PHE 152           2HE      PHE 152 -18.923  -0.125  -1.715
 1215    HZ   PHE 152           HZ       PHE 152 -19.545   0.713  -3.948
 1216    H    ASP 153           H        ASP 153 -15.789   4.720   0.023
 1217    HA   ASP 153           HA       ASP 153 -15.970   6.259  -2.477
 1218   1HB   ASP 153          2HB       ASP 153 -17.799   6.347  -0.066
 1219   2HB   ASP 153          1HB       ASP 153 -17.952   7.363  -1.496
 1220    H    LYS 154           H        LYS 154 -14.613   6.080   0.581
 1221    HA   LYS 154           HA       LYS 154 -14.410   8.830   1.253
 1222   1HB   LYS 154          2HB       LYS 154 -12.655   6.494   2.056
 1223   2HB   LYS 154          1HB       LYS 154 -12.694   8.066   2.846
 1224   1HG   LYS 154          2HG       LYS 154 -15.064   7.663   3.443
 1225   2HG   LYS 154          1HG       LYS 154 -14.928   6.049   2.741
 1226   1HD   LYS 154          2HD       LYS 154 -13.274   7.113   5.034
 1227   2HD   LYS 154          1HD       LYS 154 -14.645   6.011   5.180
 1228   1HE   LYS 154          2HE       LYS 154 -13.455   4.334   3.876
 1229   2HE   LYS 154          1HE       LYS 154 -12.099   5.440   3.664
 1230   1HZ   LYS 154          1HZ       LYS 154 -11.669   5.376   6.004
 1231   2HZ   LYS 154          2HZ       LYS 154 -11.754   3.783   5.440
 1232   3HZ   LYS 154          3HZ       LYS 154 -13.054   4.449   6.296
 1233    H    LEU 155           H        LEU 155 -11.468   8.562   1.787
 1234    HA   LEU 155           HA       LEU 155  -9.582   9.455   0.856
 1235   1HB   LEU 155          2HB       LEU 155 -10.219   7.653  -1.463
 1236   2HB   LEU 155          1HB       LEU 155  -8.645   8.165  -0.904
 1237    HG   LEU 155           HG       LEU 155  -9.078   6.764   1.194
 1238   1HD1  LEU 155          1HD1      LEU 155 -10.712   4.822   0.458
 1239   2HD1  LEU 155          2HD1      LEU 155 -11.499   6.143  -0.402
 1240   3HD1  LEU 155          3HD1      LEU 155 -11.281   6.234   1.346
 1241   1HD2  LEU 155          1HD2      LEU 155  -7.635   5.525   0.052
 1242   2HD2  LEU 155          2HD2      LEU 155  -8.313   6.058  -1.487
 1243   3HD2  LEU 155          3HD2      LEU 155  -9.010   4.673  -0.649
 1244    H    ASN 156           H        ASN 156 -10.722  11.573   0.477
 1245    HA   ASN 156           HA       ASN 156 -11.810  12.166  -2.070
 1246   1HB   ASN 156          2HB       ASN 156 -12.362  13.554  -0.180
 1247   2HB   ASN 156          1HB       ASN 156 -10.669  13.964   0.066
 1248   1HD2  ASN 156          1HD2      ASN 156 -10.147  15.885  -0.609
 1249   2HD2  ASN 156          2HD2      ASN 156 -10.854  16.731  -1.933
 1250    H    LYS 157           H        LYS 157 -10.785  12.318  -3.900
 1251    HA   LYS 157           HA       LYS 157  -8.274  11.834  -4.571
 1252   1HB   LYS 157          2HB       LYS 157 -10.223  13.732  -5.776
 1253   2HB   LYS 157          1HB       LYS 157  -8.589  13.688  -6.424
 1254   1HG   LYS 157          2HG       LYS 157  -8.797  11.384  -6.993
 1255   2HG   LYS 157          1HG       LYS 157 -10.337  11.256  -6.147
 1256   1HD   LYS 157          2HD       LYS 157 -11.342  12.820  -7.736
 1257   2HD   LYS 157          1HD       LYS 157  -9.795  12.972  -8.571
 1258   1HE   LYS 157          2HE       LYS 157 -11.284  11.433  -9.742
 1259   2HE   LYS 157          1HE       LYS 157  -9.854  10.601  -9.133
 1260   1HZ   LYS 157          1HZ       LYS 157 -12.395   9.786  -8.757
 1261   2HZ   LYS 157          2HZ       LYS 157 -12.082  10.598  -7.305
 1262   3HZ   LYS 157          3HZ       LYS 157 -11.083   9.324  -7.793
 1263    H    TRP 158           H        TRP 158  -6.320  12.518  -4.180
 1264    HA   TRP 158           HA       TRP 158  -5.624  14.612  -2.526
 1265   1HB   TRP 158          2HB       TRP 158  -3.918  13.075  -2.804
 1266   2HB   TRP 158          1HB       TRP 158  -4.137  12.972  -4.544
 1267    HD1  TRP 158           HD       TRP 158  -2.312  14.128  -5.912
 1268    HE1  TRP 158           1HE      TRP 158  -0.563  15.965  -5.475
 1269    HE3  TRP 158           3HE      TRP 158  -3.631  15.370  -1.141
 1270    HZ2  TRP 158           2HZ      TRP 158   0.160  17.716  -3.381
 1271    HZ3  TRP 158           3HZ      TRP 158  -2.364  17.141   0.010
 1272    HH2  TRP 158           HH       TRP 158  -0.506  18.285  -1.085
  Start of MODEL   15
    1   1H    THR   1          1HT       THR   1   2.374 -13.506  -8.994
    2   2H    THR   1          2HT       THR   1   2.056 -12.200 -10.020
    3   3H    THR   1          3HT       THR   1   1.245 -13.667 -10.247
    4    HA   THR   1           HA       THR   1  -0.397 -12.855  -9.038
    5    HB   THR   1           HB       THR   1   1.693 -12.942  -6.843
    6    HG1  THR   1           1HG      THR   1   0.322 -14.887  -8.243
    7   1HG2  THR   1          1HG2      THR   1   0.014 -12.117  -5.607
    8   2HG2  THR   1          2HG2      THR   1  -0.585 -13.774  -5.682
    9   3HG2  THR   1          3HG2      THR   1  -1.219 -12.556  -6.789
   10    H    VAL   2           H        VAL   2  -1.392 -11.019  -8.078
   11    HA   VAL   2           HA       VAL   2  -0.047  -8.543  -8.717
   12    HB   VAL   2           HB       VAL   2  -2.816  -9.072  -7.636
   13   1HG1  VAL   2          1HG1      VAL   2  -1.370  -6.697  -7.487
   14   2HG1  VAL   2          2HG1      VAL   2  -3.112  -6.891  -7.305
   15   3HG1  VAL   2          3HG1      VAL   2  -2.428  -6.496  -8.881
   16   1HG2  VAL   2          1HG2      VAL   2  -2.989  -7.913 -10.137
   17   2HG2  VAL   2          2HG2      VAL   2  -3.236  -9.616  -9.755
   18   3HG2  VAL   2          3HG2      VAL   2  -1.653  -9.052 -10.291
   19    H    ALA   3           H        ALA   3   0.729  -7.041  -7.351
   20    HA   ALA   3           HA       ALA   3   0.721  -7.701  -4.487
   21   1HB   ALA   3          1HB       ALA   3   2.810  -6.830  -4.305
   22   2HB   ALA   3          2HB       ALA   3   2.520  -5.592  -5.527
   23   3HB   ALA   3          3HB       ALA   3   2.864  -7.251  -6.017
   24    H    TYR   4           H        TYR   4  -1.076  -6.779  -3.684
   25    HA   TYR   4           HA       TYR   4  -1.957  -4.137  -4.461
   26   1HB   TYR   4          2HB       TYR   4  -2.961  -5.920  -2.246
   27   2HB   TYR   4          1HB       TYR   4  -3.799  -4.556  -2.969
   28    HD1  TYR   4           1HD      TYR   4  -2.468  -7.934  -3.731
   29    HD2  TYR   4           2HD      TYR   4  -5.165  -4.852  -4.867
   30    HE1  TYR   4           1HE      TYR   4  -3.494  -9.435  -5.375
   31    HE2  TYR   4           2HE      TYR   4  -6.194  -6.347  -6.519
   32    HH   TYR   4           HH       TYR   4  -6.425  -8.667  -7.005
   33    H    ILE   5           H        ILE   5  -0.031  -2.993  -3.828
   34    HA   ILE   5           HA       ILE   5   0.692  -2.921  -1.023
   35    HB   ILE   5           HB       ILE   5   1.803  -1.153  -3.191
   36   1HG1  ILE   5          2HG1      ILE   5   2.704  -3.948  -2.446
   37   2HG1  ILE   5          1HG1      ILE   5   1.884  -3.513  -3.939
   38   1HG2  ILE   5          1HG2      ILE   5   2.602  -0.419  -1.143
   39   2HG2  ILE   5          2HG2      ILE   5   3.866  -1.528  -1.675
   40   3HG2  ILE   5          3HG2      ILE   5   2.681  -2.049  -0.475
   41   1HD1  ILE   5          1HD1      ILE   5   4.265  -1.920  -3.464
   42   2HD1  ILE   5          2HD1      ILE   5   3.773  -2.836  -4.890
   43   3HD1  ILE   5          3HD1      ILE   5   4.595  -3.650  -3.559
   44    H    ALA   6           H        ALA   6   0.883  -0.919   0.174
   45    HA   ALA   6           HA       ALA   6  -1.142   1.087  -0.590
   46   1HB   ALA   6          1HB       ALA   6  -0.782   1.087   2.226
   47   2HB   ALA   6          2HB       ALA   6  -1.065  -0.575   1.707
   48   3HB   ALA   6          3HB       ALA   6  -2.231   0.685   1.301
   49    H    ILE   7           H        ILE   7  -0.138   2.926  -1.116
   50    HA   ILE   7           HA       ILE   7   2.443   3.584   0.058
   51    HB   ILE   7           HB       ILE   7   0.865   5.204  -1.941
   52   1HG1  ILE   7          2HG1      ILE   7   1.295   2.928  -2.807
   53   2HG1  ILE   7          1HG1      ILE   7   2.198   4.151  -3.691
   54   1HG2  ILE   7          1HG2      ILE   7   3.835   5.216  -1.710
   55   2HG2  ILE   7          2HG2      ILE   7   2.883   6.107  -0.523
   56   3HG2  ILE   7          3HG2      ILE   7   2.738   6.493  -2.239
   57   1HD1  ILE   7          1HD1      ILE   7   3.717   3.062  -1.481
   58   2HD1  ILE   7          2HD1      ILE   7   4.136   3.199  -3.188
   59   3HD1  ILE   7          3HD1      ILE   7   3.197   1.820  -2.620
   60    H    GLY   8           H        GLY   8   2.869   5.405   1.298
   61   1HA   GLY   8          2HA       GLY   8   0.567   7.031   2.141
   62   2HA   GLY   8          1HA       GLY   8   1.564   6.255   3.360
   63    H    SER   9           H        SER   9   1.540   8.579   0.755
   64    HA   SER   9           HA       SER   9   4.113   9.672   1.606
   65   1HB   SER   9          2HB       SER   9   3.955  10.948  -0.547
   66   2HB   SER   9          1HB       SER   9   3.941   9.195  -0.754
   67    HG   SER   9           HG       SER   9   1.711  10.950  -0.805
   68    H    ASN  10           H        ASN  10   4.366  11.668   2.427
   69    HA   ASN  10           HA       ASN  10   2.585  13.790   2.138
   70   1HB   ASN  10          2HB       ASN  10   1.738  13.945   4.504
   71   2HB   ASN  10          1HB       ASN  10   1.005  12.702   3.510
   72   1HD2  ASN  10          1HD2      ASN  10   3.798  11.309   4.053
   73   2HD2  ASN  10          2HD2      ASN  10   3.481  10.490   5.532
   74    H    LEU  11           H        LEU  11   4.808  12.392   4.549
   75    HA   LEU  11           HA       LEU  11   5.793  14.896   5.419
   76   1HB   LEU  11          2HB       LEU  11   5.929  12.631   6.591
   77   2HB   LEU  11          1HB       LEU  11   7.293  12.289   5.549
   78    HG   LEU  11           HG       LEU  11   7.989  13.026   7.785
   79   1HD1  LEU  11          1HD1      LEU  11   8.738  15.251   5.942
   80   2HD1  LEU  11          2HD1      LEU  11   9.241  13.597   5.592
   81   3HD1  LEU  11          3HD1      LEU  11   9.732  14.368   7.101
   82   1HD2  LEU  11          1HD2      LEU  11   6.105  14.477   8.302
   83   2HD2  LEU  11          2HD2      LEU  11   6.634  15.620   7.067
   84   3HD2  LEU  11          3HD2      LEU  11   7.635  15.337   8.491
   85    H    ALA  12           H        ALA  12   6.463  16.192   3.799
   86    HA   ALA  12           HA       ALA  12   8.473  17.086   2.873
   87   1HB   ALA  12          1HB       ALA  12  10.031  15.792   1.611
   88   2HB   ALA  12          2HB       ALA  12   8.980  14.378   1.665
   89   3HB   ALA  12          3HB       ALA  12   9.739  14.969   3.143
   90    H    SER  13           H        SER  13   6.625  14.657   1.028
   91    HA   SER  13           HA       SER  13   5.313  16.571  -0.564
   92   1HB   SER  13          2HB       SER  13   6.446  16.189  -2.734
   93   2HB   SER  13          1HB       SER  13   7.510  16.960  -1.559
   94    HG   SER  13           HG       SER  13   8.451  15.172  -2.749
   95    HA   PRO  14           HA       PRO  14   3.190  12.514  -0.484
   96   1HB   PRO  14          2HB       PRO  14   1.051  14.279  -1.528
   97   2HB   PRO  14          1HB       PRO  14   1.009  13.104  -0.212
   98   1HG   PRO  14          2HG       PRO  14   1.045  15.738   0.266
   99   2HG   PRO  14          1HG       PRO  14   1.888  14.590   1.322
  100   1HD   PRO  14          2HD       PRO  14   2.990  16.443  -0.737
  101   2HD   PRO  14          1HD       PRO  14   3.693  15.925   0.808
  102    H    LEU  15           H        LEU  15   3.624  14.822  -3.075
  103    HA   LEU  15           HA       LEU  15   2.484  13.067  -5.070
  104   1HB   LEU  15          2HB       LEU  15   2.260  15.523  -5.199
  105   2HB   LEU  15          1HB       LEU  15   3.994  15.652  -5.419
  106    HG   LEU  15           HG       LEU  15   3.802  14.377  -7.532
  107   1HD1  LEU  15          1HD1      LEU  15   1.973  13.075  -7.653
  108   2HD1  LEU  15          2HD1      LEU  15   1.212  14.526  -8.307
  109   3HD1  LEU  15          3HD1      LEU  15   1.026  14.125  -6.600
  110   1HD2  LEU  15          1HD2      LEU  15   1.897  16.691  -7.627
  111   2HD2  LEU  15          2HD2      LEU  15   3.095  16.190  -8.819
  112   3HD2  LEU  15          3HD2      LEU  15   3.614  16.926  -7.304
  113    H    GLU  16           H        GLU  16   5.711  14.550  -4.710
  114    HA   GLU  16           HA       GLU  16   6.965  12.964  -6.641
  115   1HB   GLU  16          2HB       GLU  16   7.985  14.543  -4.308
  116   2HB   GLU  16          1HB       GLU  16   9.068  13.723  -5.425
  117   1HG   GLU  16          2HG       GLU  16   7.024  15.777  -6.218
  118   2HG   GLU  16          1HG       GLU  16   8.732  16.119  -5.939
  119    H    GLN  17           H        GLN  17   6.115  12.237  -3.388
  120    HA   GLN  17           HA       GLN  17   8.110  10.194  -3.051
  121   1HB   GLN  17          2HB       GLN  17   5.682  10.977  -1.447
  122   2HB   GLN  17          1HB       GLN  17   6.745   9.646  -0.993
  123   1HG   GLN  17          2HG       GLN  17   8.552  11.063  -0.596
  124   2HG   GLN  17          1HG       GLN  17   7.833  12.388  -1.505
  125   1HE2  GLN  17          1HE2      GLN  17   5.383  11.129   0.249
  126   2HE2  GLN  17          2HE2      GLN  17   5.479  12.129   1.652
  127    H    VAL  18           H        VAL  18   5.022  10.377  -4.508
  128    HA   VAL  18           HA       VAL  18   4.565   7.502  -4.351
  129    HB   VAL  18           HB       VAL  18   2.955   9.661  -5.725
  130   1HG1  VAL  18          1HG1      VAL  18   2.646   6.701  -5.556
  131   2HG1  VAL  18          2HG1      VAL  18   2.335   7.791  -6.906
  132   3HG1  VAL  18          3HG1      VAL  18   1.202   7.715  -5.557
  133   1HG2  VAL  18          1HG2      VAL  18   3.184   9.089  -3.022
  134   2HG2  VAL  18          2HG2      VAL  18   1.701   8.271  -3.517
  135   3HG2  VAL  18          3HG2      VAL  18   1.889  10.001  -3.799
  136    H    ASN  19           H        ASN  19   5.460   9.968  -6.717
  137    HA   ASN  19           HA       ASN  19   5.284   8.438  -9.035
  138   1HB   ASN  19          2HB       ASN  19   7.170  10.688  -8.331
  139   2HB   ASN  19          1HB       ASN  19   7.026  10.003  -9.948
  140   1HD2  ASN  19          1HD2      ASN  19   6.124  12.523  -8.160
  141   2HD2  ASN  19          2HD2      ASN  19   4.611  12.912  -8.893
  142    H    ALA  20           H        ALA  20   7.946   8.703  -6.713
  143    HA   ALA  20           HA       ALA  20   9.596   6.891  -8.262
  144   1HB   ALA  20          1HB       ALA  20  10.019   8.791  -6.150
  145   2HB   ALA  20          2HB       ALA  20  11.190   8.048  -7.239
  146   3HB   ALA  20          3HB       ALA  20  10.748   7.241  -5.735
  147    H    ALA  21           H        ALA  21   7.401   6.727  -5.576
  148    HA   ALA  21           HA       ALA  21   8.323   4.314  -4.429
  149   1HB   ALA  21          1HB       ALA  21   5.943   4.195  -3.528
  150   2HB   ALA  21          2HB       ALA  21   5.677   5.729  -4.356
  151   3HB   ALA  21          3HB       ALA  21   6.900   5.609  -3.093
  152    H    LEU  22           H        LEU  22   5.931   4.989  -6.954
  153    HA   LEU  22           HA       LEU  22   5.288   2.185  -7.274
  154   1HB   LEU  22          2HB       LEU  22   4.523   4.383  -9.175
  155   2HB   LEU  22          1HB       LEU  22   3.687   2.874  -8.861
  156    HG   LEU  22           HG       LEU  22   3.766   5.344  -7.153
  157   1HD1  LEU  22          1HD1      LEU  22   1.858   5.714  -8.223
  158   2HD1  LEU  22          2HD1      LEU  22   1.190   4.334  -7.350
  159   3HD1  LEU  22          3HD1      LEU  22   1.879   4.111  -8.958
  160   1HD2  LEU  22          1HD2      LEU  22   2.608   2.694  -6.327
  161   2HD2  LEU  22          2HD2      LEU  22   2.720   4.174  -5.372
  162   3HD2  LEU  22          3HD2      LEU  22   4.185   3.286  -5.802
  163    H    LYS  23           H        LYS  23   6.924   4.699  -9.116
  164    HA   LYS  23           HA       LYS  23   7.539   3.238 -11.404
  165   1HB   LYS  23          2HB       LYS  23   7.850   5.727 -11.025
  166   2HB   LYS  23          1HB       LYS  23   9.344   5.332 -10.189
  167   1HG   LYS  23          2HG       LYS  23   8.824   4.456 -13.011
  168   2HG   LYS  23          1HG       LYS  23   9.507   6.034 -12.628
  169   1HD   LYS  23          2HD       LYS  23  10.687   3.394 -11.772
  170   2HD   LYS  23          1HD       LYS  23  11.218   4.326 -13.170
  171   1HE   LYS  23          2HE       LYS  23  11.268   5.258 -10.301
  172   2HE   LYS  23          1HE       LYS  23  12.662   4.709 -11.231
  173   1HZ   LYS  23          1HZ       LYS  23  11.290   6.745 -12.635
  174   2HZ   LYS  23          2HZ       LYS  23  12.892   6.721 -12.093
  175   3HZ   LYS  23          3HZ       LYS  23  11.664   7.280 -11.073
  176    H    ALA  24           H        ALA  24   9.301   3.480  -8.346
  177    HA   ALA  24           HA       ALA  24  11.587   2.043  -9.126
  178   1HB   ALA  24          1HB       ALA  24  10.475   2.033  -6.337
  179   2HB   ALA  24          2HB       ALA  24  11.254   3.452  -7.037
  180   3HB   ALA  24          3HB       ALA  24  12.160   1.949  -6.852
  181    H    LEU  25           H        LEU  25   8.385   0.986  -8.417
  182    HA   LEU  25           HA       LEU  25   9.047  -1.689  -7.650
  183   1HB   LEU  25          2HB       LEU  25   6.458  -0.610  -8.774
  184   2HB   LEU  25          1HB       LEU  25   6.667  -2.161  -7.985
  185    HG   LEU  25           HG       LEU  25   6.975   0.546  -6.682
  186   1HD1  LEU  25          1HD1      LEU  25   4.670  -0.850  -7.291
  187   2HD1  LEU  25          2HD1      LEU  25   4.837   0.419  -6.076
  188   3HD1  LEU  25          3HD1      LEU  25   4.990  -1.275  -5.608
  189   1HD2  LEU  25          1HD2      LEU  25   6.790  -1.363  -4.705
  190   2HD2  LEU  25          2HD2      LEU  25   8.261  -0.536  -5.215
  191   3HD2  LEU  25          3HD2      LEU  25   7.856  -2.113  -5.893
  192    H    GLY  26           H        GLY  26   8.667  -0.035 -10.673
  193   1HA   GLY  26          2HA       GLY  26   8.187  -2.310 -12.307
  194   2HA   GLY  26          1HA       GLY  26   8.804  -0.756 -12.855
  195    H    ASP  27           H        ASP  27  11.025  -0.933 -10.877
  196    HA   ASP  27           HA       ASP  27  12.832  -2.466 -12.532
  197   1HB   ASP  27          2HB       ASP  27  13.190  -0.472 -10.298
  198   2HB   ASP  27          1HB       ASP  27  14.523  -1.334 -11.031
  199    H    ILE  28           H        ILE  28  11.225  -2.674  -9.488
  200    HA   ILE  28           HA       ILE  28  12.942  -4.227  -7.972
  201    HB   ILE  28           HB       ILE  28   9.927  -4.357  -8.116
  202   1HG1  ILE  28          2HG1      ILE  28  10.783  -2.179  -7.428
  203   2HG1  ILE  28          1HG1      ILE  28  10.056  -2.996  -6.050
  204   1HG2  ILE  28          1HG2      ILE  28  11.872  -5.717  -6.290
  205   2HG2  ILE  28          2HG2      ILE  28  10.459  -6.381  -7.108
  206   3HG2  ILE  28          3HG2      ILE  28  10.253  -5.297  -5.733
  207   1HD1  ILE  28          1HD1      ILE  28  12.970  -3.323  -6.449
  208   2HD1  ILE  28          2HD1      ILE  28  12.033  -3.211  -4.962
  209   3HD1  ILE  28          3HD1      ILE  28  12.383  -1.757  -5.896
  210    HA   PRO  29           HA       PRO  29  13.576  -7.970 -10.229
  211   1HB   PRO  29          2HB       PRO  29  13.870  -9.627  -8.011
  212   2HB   PRO  29          1HB       PRO  29  15.157  -8.680  -8.766
  213   1HG   PRO  29          2HG       PRO  29  13.493  -8.047  -6.366
  214   2HG   PRO  29          1HG       PRO  29  15.221  -7.758  -6.639
  215   1HD   PRO  29          2HD       PRO  29  13.455  -5.765  -6.828
  216   2HD   PRO  29          1HD       PRO  29  14.822  -5.883  -7.959
  217    H    GLU  30           H        GLU  30  12.191  -9.300 -11.147
  218    HA   GLU  30           HA       GLU  30  10.392 -10.617 -11.566
  219   1HB   GLU  30          2HB       GLU  30  10.262 -11.047  -8.583
  220   2HB   GLU  30          1HB       GLU  30   9.628 -12.102  -9.841
  221   1HG   GLU  30          2HG       GLU  30  12.012 -12.321 -10.648
  222   2HG   GLU  30          1HG       GLU  30  12.488 -11.568  -9.132
  223    H    SER  31           H        SER  31  10.169  -7.751 -10.223
  224    HA   SER  31           HA       SER  31   7.246  -7.862  -9.885
  225   1HB   SER  31          2HB       SER  31   9.198  -5.835  -8.777
  226   2HB   SER  31          1HB       SER  31   7.450  -5.795  -8.556
  227    HG   SER  31           HG       SER  31   9.298  -7.697  -7.574
  228    H    HIS  32           H        HIS  32   5.960  -6.704 -11.189
  229    HA   HIS  32           HA       HIS  32   7.043  -4.483 -12.732
  230   1HB   HIS  32          2HB       HIS  32   7.511  -6.539 -14.068
  231   2HB   HIS  32          1HB       HIS  32   5.781  -6.851 -14.122
  232    HD1  HIS  32           1HD      HIS  32   7.968  -3.834 -14.936
  233    HD2  HIS  32           2HD      HIS  32   4.771  -6.000 -16.470
  234    HE1  HIS  32           1HE      HIS  32   7.368  -2.702 -17.099
  235    HE2  HIS  32           2HE      HIS  32   5.364  -3.968 -17.958
  236    H    ILE  33           H        ILE  33   5.582  -2.976 -12.120
  237    HA   ILE  33           HA       ILE  33   2.933  -3.437 -11.401
  238    HB   ILE  33           HB       ILE  33   4.301  -0.946 -12.387
  239   1HG1  ILE  33          2HG1      ILE  33   3.277  -1.844  -9.689
  240   2HG1  ILE  33          1HG1      ILE  33   4.961  -1.813 -10.197
  241   1HG2  ILE  33          1HG2      ILE  33   1.448  -1.452 -12.114
  242   2HG2  ILE  33          2HG2      ILE  33   2.290  -0.090 -12.854
  243   3HG2  ILE  33          3HG2      ILE  33   2.002  -0.109 -11.115
  244   1HD1  ILE  33          1HD1      ILE  33   3.450   0.232  -8.964
  245   2HD1  ILE  33          2HD1      ILE  33   3.879   0.779 -10.585
  246   3HD1  ILE  33          3HD1      ILE  33   5.141   0.262  -9.468
  247    H    LEU  34           H        LEU  34   1.047  -3.565 -12.437
  248    HA   LEU  34           HA       LEU  34   1.126  -3.608 -15.370
  249   1HB   LEU  34          2HB       LEU  34   0.443  -5.650 -14.011
  250   2HB   LEU  34          1HB       LEU  34  -1.008  -4.769 -13.587
  251    HG   LEU  34           HG       LEU  34  -1.351  -6.389 -15.426
  252   1HD1  LEU  34          1HD1      LEU  34  -1.677  -3.563 -16.405
  253   2HD1  LEU  34          2HD1      LEU  34  -2.726  -4.319 -15.205
  254   3HD1  LEU  34          3HD1      LEU  34  -2.641  -4.975 -16.840
  255   1HD2  LEU  34          1HD2      LEU  34  -0.317  -6.221 -17.506
  256   2HD2  LEU  34          2HD2      LEU  34   0.998  -5.961 -16.358
  257   3HD2  LEU  34          3HD2      LEU  34   0.270  -4.587 -17.188
  258    H    THR  35           H        THR  35  -1.084  -2.659 -12.715
  259    HA   THR  35           HA       THR  35  -2.131  -0.558 -14.499
  260    HB   THR  35           HB       THR  35  -4.234  -0.697 -13.153
  261    HG1  THR  35           1HG      THR  35  -4.180  -3.045 -12.160
  262   1HG2  THR  35          1HG2      THR  35  -3.606  -2.173 -15.288
  263   2HG2  THR  35          2HG2      THR  35  -5.164  -2.266 -14.463
  264   3HG2  THR  35          3HG2      THR  35  -3.909  -3.456 -14.119
  265    H    VAL  36           H        VAL  36  -2.868   1.408 -13.453
  266    HA   VAL  36           HA       VAL  36  -1.616   1.936 -10.846
  267    HB   VAL  36           HB       VAL  36  -1.472   3.804 -13.218
  268   1HG1  VAL  36          1HG1      VAL  36   0.274   4.844 -11.528
  269   2HG1  VAL  36          2HG1      VAL  36  -0.775   4.067 -10.342
  270   3HG1  VAL  36          3HG1      VAL  36  -1.438   5.260 -11.460
  271   1HG2  VAL  36          1HG2      VAL  36   0.809   2.353 -11.894
  272   2HG2  VAL  36          2HG2      VAL  36   0.846   3.307 -13.377
  273   3HG2  VAL  36          3HG2      VAL  36  -0.006   1.762 -13.342
  274    H    SER  37           H        SER  37  -2.854   3.088  -9.463
  275    HA   SER  37           HA       SER  37  -5.548   3.715 -10.273
  276   1HB   SER  37          2HB       SER  37  -4.118   3.741  -7.629
  277   2HB   SER  37          1HB       SER  37  -5.757   4.373  -7.801
  278    HG   SER  37           HG       SER  37  -6.376   2.386  -7.645
  279    H    SER  38           H        SER  38  -4.497   5.872  -7.858
  280    HA   SER  38           HA       SER  38  -3.709   8.015  -9.610
  281   1HB   SER  38          2HB       SER  38  -6.405   8.154  -8.231
  282   2HB   SER  38          1HB       SER  38  -5.632   9.479  -9.099
  283    HG   SER  38           HG       SER  38  -5.739   8.194 -10.990
  284    H    PHE  39           H        PHE  39  -4.930   9.942  -7.535
  285    HA   PHE  39           HA       PHE  39  -3.219   9.277  -5.245
  286   1HB   PHE  39          2HB       PHE  39  -3.280  12.110  -6.243
  287   2HB   PHE  39          1HB       PHE  39  -2.112  11.331  -5.195
  288    HD1  PHE  39           1HD      PHE  39  -0.082  10.623  -6.057
  289    HD2  PHE  39           2HD      PHE  39  -3.355  11.276  -8.696
  290    HE1  PHE  39           1HE      PHE  39   1.403  10.252  -7.982
  291    HE2  PHE  39           2HE      PHE  39  -1.878  10.906 -10.627
  292    HZ   PHE  39           HZ       PHE  39   0.528  10.395 -10.254
  293    H    TYR  40           H        TYR  40  -4.479   9.269  -3.511
  294    HA   TYR  40           HA       TYR  40  -6.761  11.136  -3.440
  295   1HB   TYR  40          2HB       TYR  40  -6.610   8.519  -1.947
  296   2HB   TYR  40          1HB       TYR  40  -8.028   9.517  -2.245
  297    HD1  TYR  40           1HD      TYR  40  -5.427   7.602  -4.134
  298    HD2  TYR  40           2HD      TYR  40  -9.479   8.887  -3.935
  299    HE1  TYR  40           1HE      TYR  40  -5.944   6.258  -6.126
  300    HE2  TYR  40           2HE      TYR  40 -10.005   7.546  -5.927
  301    HH   TYR  40           HH       TYR  40  -7.507   5.615  -7.559
  302    H    ARG  41           H        ARG  41  -7.172  12.277  -1.579
  303    HA   ARG  41           HA       ARG  41  -4.958  12.523   0.275
  304   1HB   ARG  41          2HB       ARG  41  -6.628  14.376  -0.767
  305   2HB   ARG  41          1HB       ARG  41  -7.474  14.035   0.736
  306   1HG   ARG  41          2HG       ARG  41  -5.368  14.527   1.967
  307   2HG   ARG  41          1HG       ARG  41  -4.637  14.994   0.433
  308   1HD   ARG  41          2HD       ARG  41  -6.346  16.724   0.147
  309   2HD   ARG  41          1HD       ARG  41  -7.065  16.264   1.689
  310    HE   ARG  41           HE       ARG  41  -4.365  16.861   2.117
  311   1HH1  ARG  41          1HH1      ARG  41  -7.325  18.471   1.220
  312   2HH1  ARG  41          2HH1      ARG  41  -6.846  19.996   1.887
  313   1HH2  ARG  41          1HH2      ARG  41  -3.728  18.866   2.993
  314   2HH2  ARG  41          2HH2      ARG  41  -4.801  20.221   2.892
  315    H    THR  42           H        THR  42  -4.898  11.492   2.226
  316    HA   THR  42           HA       THR  42  -7.279  10.935   3.754
  317    HB   THR  42           HB       THR  42  -5.915   8.608   2.385
  318    HG1  THR  42           1HG      THR  42  -8.532   9.673   2.256
  319   1HG2  THR  42          1HG2      THR  42  -7.891   7.368   3.548
  320   2HG2  THR  42          2HG2      THR  42  -7.750   8.676   4.723
  321   3HG2  THR  42          3HG2      THR  42  -6.368   7.629   4.398
  322    HA   PRO  43           HA       PRO  43  -3.975  11.655   6.760
  323   1HB   PRO  43          2HB       PRO  43  -6.181  10.410   8.366
  324   2HB   PRO  43          1HB       PRO  43  -5.137  11.781   8.766
  325   1HG   PRO  43          2HG       PRO  43  -7.615  12.181   7.879
  326   2HG   PRO  43          1HG       PRO  43  -6.283  13.236   7.372
  327   1HD   PRO  43          2HD       PRO  43  -7.742  11.163   5.833
  328   2HD   PRO  43          1HD       PRO  43  -6.889  12.610   5.258
  329    HA   PRO  44           HA       PRO  44  -2.370   7.436   6.657
  330   1HB   PRO  44          2HB       PRO  44  -0.100   8.608   8.099
  331   2HB   PRO  44          1HB       PRO  44  -0.127   7.758   6.553
  332   1HG   PRO  44          2HG       PRO  44   0.301  10.398   6.697
  333   2HG   PRO  44          1HG       PRO  44  -0.604   9.671   5.357
  334   1HD   PRO  44          2HD       PRO  44  -1.619  11.133   7.753
  335   2HD   PRO  44          1HD       PRO  44  -2.159  11.215   6.079
  336    H    LEU  45           H        LEU  45  -3.300   9.342   9.223
  337    HA   LEU  45           HA       LEU  45  -3.771   8.997  11.399
  338   1HB   LEU  45          2HB       LEU  45  -3.613   6.071  10.663
  339   2HB   LEU  45          1HB       LEU  45  -4.285   6.702  12.151
  340    HG   LEU  45           HG       LEU  45  -6.195   6.309  10.977
  341   1HD1  LEU  45          1HD1      LEU  45  -5.777   8.958   9.687
  342   2HD1  LEU  45          2HD1      LEU  45  -5.798   8.842  11.446
  343   3HD1  LEU  45          3HD1      LEU  45  -7.197   8.313  10.511
  344   1HD2  LEU  45          1HD2      LEU  45  -5.549   5.414   8.976
  345   2HD2  LEU  45          2HD2      LEU  45  -4.522   6.788   8.565
  346   3HD2  LEU  45          3HD2      LEU  45  -6.275   6.929   8.438
  347    H    GLY  46           H        GLY  46  -2.239   9.648  12.746
  348   1HA   GLY  46          2HA       GLY  46  -0.733   8.409  14.422
  349   2HA   GLY  46          1HA       GLY  46   0.188   8.009  12.982
  350    HA   PRO  47           HA       PRO  47   2.054  11.888  14.432
  351   1HB   PRO  47          2HB       PRO  47   4.581  11.125  14.317
  352   2HB   PRO  47          1HB       PRO  47   3.517  10.525  15.587
  353   1HG   PRO  47          2HG       PRO  47   4.443   9.173  13.092
  354   2HG   PRO  47          1HG       PRO  47   4.254   8.506  14.724
  355   1HD   PRO  47          2HD       PRO  47   2.409   8.267  12.657
  356   2HD   PRO  47          1HD       PRO  47   2.060   8.028  14.379
  357    H    GLN  48           H        GLN  48   4.811  11.963  13.163
  358    HA   GLN  48           HA       GLN  48   5.819  13.150  11.561
  359   1HB   GLN  48          2HB       GLN  48   5.387  12.344   9.206
  360   2HB   GLN  48          1HB       GLN  48   5.957  11.166  10.374
  361   1HG   GLN  48          2HG       GLN  48   4.323  10.060   9.209
  362   2HG   GLN  48          1HG       GLN  48   3.510  10.546  10.672
  363   1HE2  GLN  48          1HE2      GLN  48   1.549  10.311   9.652
  364   2HE2  GLN  48          2HE2      GLN  48   0.940  11.493   8.570
  365    H    ASP  49           H        ASP  49   2.837  13.770  12.253
  366    HA   ASP  49           HA       ASP  49   1.617  15.695  12.110
  367   1HB   ASP  49          2HB       ASP  49   3.680  16.931  11.696
  368   2HB   ASP  49          1HB       ASP  49   3.597  16.525   9.985
  369    H    GLN  50           H        GLN  50   2.200  13.643   9.463
  370    HA   GLN  50           HA       GLN  50   1.031  13.137   7.570
  371   1HB   GLN  50          2HB       GLN  50  -1.574  13.853   8.680
  372   2HB   GLN  50          1HB       GLN  50  -0.951  12.293   8.167
  373   1HG   GLN  50          2HG       GLN  50   0.434  12.803  10.494
  374   2HG   GLN  50          1HG       GLN  50  -1.178  13.418  10.830
  375   1HE2  GLN  50          1HE2      GLN  50   0.790  10.741  10.797
  376   2HE2  GLN  50          2HE2      GLN  50  -0.398   9.526  11.027
  377    HA   PRO  51           HA       PRO  51   1.097  17.727   6.436
  378   1HB   PRO  51          2HB       PRO  51   1.977  16.111   4.065
  379   2HB   PRO  51          1HB       PRO  51   2.506  17.720   4.579
  380   1HG   PRO  51          2HG       PRO  51   3.996  15.616   5.146
  381   2HG   PRO  51          1HG       PRO  51   3.742  16.873   6.370
  382   1HD   PRO  51          2HD       PRO  51   2.594  14.130   6.202
  383   2HD   PRO  51          1HD       PRO  51   2.978  15.117   7.629
  384    H    ASP  52           H        ASP  52   0.295  15.405   3.834
  385    HA   ASP  52           HA       ASP  52  -2.400  16.567   3.709
  386   1HB   ASP  52          2HB       ASP  52  -0.788  16.085   1.226
  387   2HB   ASP  52          1HB       ASP  52  -2.333  16.908   1.377
  388    H    TYR  53           H        TYR  53  -0.797  13.853   4.156
  389    HA   TYR  53           HA       TYR  53  -1.053  11.658   3.599
  390   1HB   TYR  53          2HB       TYR  53  -3.768  11.387   3.687
  391   2HB   TYR  53          1HB       TYR  53  -2.696  11.411   5.070
  392    HD1  TYR  53           1HD      TYR  53  -5.223  13.238   3.191
  393    HD2  TYR  53           2HD      TYR  53  -2.502  13.445   6.456
  394    HE1  TYR  53           1HE      TYR  53  -6.398  15.226   4.039
  395    HE2  TYR  53           2HE      TYR  53  -3.673  15.428   7.313
  396    HH   TYR  53           HH       TYR  53  -5.527  16.697   7.126
  397    H    LEU  54           H        LEU  54  -0.471  11.164   1.490
  398    HA   LEU  54           HA       LEU  54  -2.716  11.151  -0.411
  399   1HB   LEU  54          2HB       LEU  54  -0.853  12.759  -1.022
  400   2HB   LEU  54          1HB       LEU  54   0.170  11.354  -1.242
  401    HG   LEU  54           HG       LEU  54  -1.462  10.502  -2.931
  402   1HD1  LEU  54          1HD1      LEU  54  -2.575  13.246  -3.159
  403   2HD1  LEU  54          2HD1      LEU  54  -3.240  12.167  -1.932
  404   3HD1  LEU  54          3HD1      LEU  54  -3.270  11.696  -3.632
  405   1HD2  LEU  54          1HD2      LEU  54   0.296  12.843  -3.185
  406   2HD2  LEU  54          2HD2      LEU  54  -0.873  12.645  -4.491
  407   3HD2  LEU  54          3HD2      LEU  54   0.256  11.344  -4.114
  408    H    ASN  55           H        ASN  55  -3.387   9.111  -0.151
  409    HA   ASN  55           HA       ASN  55  -1.400   6.956  -0.301
  410   1HB   ASN  55          2HB       ASN  55  -4.291   6.852   0.580
  411   2HB   ASN  55          1HB       ASN  55  -3.166   5.500   0.598
  412   1HD2  ASN  55          1HD2      ASN  55  -4.616   7.657   2.499
  413   2HD2  ASN  55          2HD2      ASN  55  -3.448   7.807   3.762
  414    H    ALA  56           H        ALA  56  -1.761   5.162  -1.659
  415    HA   ALA  56           HA       ALA  56  -3.888   5.105  -3.566
  416   1HB   ALA  56          1HB       ALA  56  -1.184   5.843  -4.669
  417   2HB   ALA  56          2HB       ALA  56  -2.513   6.981  -4.451
  418   3HB   ALA  56          3HB       ALA  56  -2.684   5.628  -5.570
  419    H    ALA  57           H        ALA  57  -4.092   3.120  -4.465
  420    HA   ALA  57           HA       ALA  57  -2.104   1.129  -3.683
  421   1HB   ALA  57          1HB       ALA  57  -4.186   0.336  -3.126
  422   2HB   ALA  57          2HB       ALA  57  -3.957  -0.396  -4.713
  423   3HB   ALA  57          3HB       ALA  57  -4.955   1.047  -4.543
  424    H    VAL  58           H        VAL  58  -1.768  -0.689  -5.367
  425    HA   VAL  58           HA       VAL  58  -1.956   0.003  -8.120
  426    HB   VAL  58           HB       VAL  58  -0.168   1.509  -7.624
  427   1HG1  VAL  58          1HG1      VAL  58   1.914   0.879  -6.633
  428   2HG1  VAL  58          2HG1      VAL  58   1.454  -0.824  -6.627
  429   3HG1  VAL  58          3HG1      VAL  58   0.620   0.320  -5.574
  430   1HG2  VAL  58          1HG2      VAL  58   0.716  -0.955  -9.105
  431   2HG2  VAL  58          2HG2      VAL  58   1.627   0.555  -9.099
  432   3HG2  VAL  58          3HG2      VAL  58  -0.003   0.511  -9.773
  433    H    ALA  59           H        ALA  59  -2.221  -1.837  -9.145
  434    HA   ALA  59           HA       ALA  59  -1.540  -4.335  -7.910
  435   1HB   ALA  59          1HB       ALA  59  -3.427  -4.659  -9.114
  436   2HB   ALA  59          2HB       ALA  59  -2.275  -5.063 -10.385
  437   3HB   ALA  59          3HB       ALA  59  -2.993  -3.454 -10.324
  438    H    LEU  60           H        LEU  60   0.562  -4.778  -7.778
  439    HA   LEU  60           HA       LEU  60   2.365  -4.293 -10.004
  440   1HB   LEU  60          2HB       LEU  60   3.180  -3.749  -7.805
  441   2HB   LEU  60          1HB       LEU  60   2.790  -5.350  -7.213
  442    HG   LEU  60           HG       LEU  60   4.532  -6.266  -8.800
  443   1HD1  LEU  60          1HD1      LEU  60   5.611  -4.963 -10.232
  444   2HD1  LEU  60          2HD1      LEU  60   6.005  -3.791  -8.972
  445   3HD1  LEU  60          3HD1      LEU  60   4.466  -3.684  -9.828
  446   1HD2  LEU  60          1HD2      LEU  60   5.281  -4.374  -6.582
  447   2HD2  LEU  60          2HD2      LEU  60   6.446  -5.424  -7.385
  448   3HD2  LEU  60          3HD2      LEU  60   5.089  -6.126  -6.506
  449    H    GLU  61           H        GLU  61   2.489  -5.757 -11.571
  450    HA   GLU  61           HA       GLU  61   1.687  -8.491 -11.186
  451   1HB   GLU  61          2HB       GLU  61   1.556  -7.043 -13.341
  452   2HB   GLU  61          1HB       GLU  61   3.255  -7.441 -13.535
  453   1HG   GLU  61          2HG       GLU  61   1.053  -9.475 -13.315
  454   2HG   GLU  61          1HG       GLU  61   1.719  -8.887 -14.835
  455    H    THR  62           H        THR  62   3.051  -9.305  -9.601
  456    HA   THR  62           HA       THR  62   5.826  -9.714 -10.469
  457    HB   THR  62           HB       THR  62   5.865  -7.914  -8.849
  458    HG1  THR  62           1HG      THR  62   6.677 -10.136  -7.347
  459   1HG2  THR  62          1HG2      THR  62   4.894  -7.894  -6.787
  460   2HG2  THR  62          2HG2      THR  62   4.840  -9.652  -6.672
  461   3HG2  THR  62          3HG2      THR  62   3.688  -8.801  -7.701
  462    H    SER  63           H        SER  63   6.895 -11.493  -9.570
  463    HA   SER  63           HA       SER  63   5.143 -13.567  -8.428
  464   1HB   SER  63          2HB       SER  63   7.415 -13.955 -10.404
  465   2HB   SER  63          1HB       SER  63   6.470 -15.247  -9.664
  466    HG   SER  63           HG       SER  63   5.798 -14.550 -11.826
  467    H    LEU  64           H        LEU  64   7.393 -11.452  -7.731
  468    HA   LEU  64           HA       LEU  64   9.537 -12.862  -6.580
  469   1HB   LEU  64          2HB       LEU  64   9.254 -10.350  -7.057
  470   2HB   LEU  64          1HB       LEU  64   8.407 -10.276  -5.530
  471    HG   LEU  64           HG       LEU  64  10.811  -9.578  -5.448
  472   1HD1  LEU  64          1HD1      LEU  64  10.753 -10.081  -3.293
  473   2HD1  LEU  64          2HD1      LEU  64  10.903 -11.806  -3.627
  474   3HD1  LEU  64          3HD1      LEU  64   9.312 -11.044  -3.630
  475   1HD2  LEU  64          1HD2      LEU  64  11.956 -11.013  -6.866
  476   2HD2  LEU  64          2HD2      LEU  64  11.178 -12.451  -6.204
  477   3HD2  LEU  64          3HD2      LEU  64  12.400 -11.596  -5.262
  478    H    ALA  65           H        ALA  65   9.903 -13.603  -4.465
  479    HA   ALA  65           HA       ALA  65   7.902 -14.907  -3.136
  480   1HB   ALA  65          1HB       ALA  65  10.060 -13.822  -1.428
  481   2HB   ALA  65          2HB       ALA  65  10.556 -14.787  -2.818
  482   3HB   ALA  65          3HB       ALA  65   9.477 -15.477  -1.608
  483    HA   PRO  66           HA       PRO  66   5.341 -11.767  -1.326
  484   1HB   PRO  66          2HB       PRO  66   4.472 -13.284   0.823
  485   2HB   PRO  66          1HB       PRO  66   3.759 -13.304  -0.789
  486   1HG   PRO  66          2HG       PRO  66   5.751 -15.175   0.421
  487   2HG   PRO  66          1HG       PRO  66   4.344 -15.544  -0.595
  488   1HD   PRO  66          2HD       PRO  66   6.795 -15.549  -1.628
  489   2HD   PRO  66          1HD       PRO  66   5.432 -14.875  -2.554
  490    H    GLU  67           H        GLU  67   7.846 -13.427   0.410
  491    HA   GLU  67           HA       GLU  67   7.689 -11.663   2.699
  492   1HB   GLU  67          2HB       GLU  67   9.907 -12.995   3.228
  493   2HB   GLU  67          1HB       GLU  67   8.322 -13.732   3.446
  494   1HG   GLU  67          2HG       GLU  67   8.506 -14.874   1.350
  495   2HG   GLU  67          1HG       GLU  67  10.015 -14.050   0.980
  496    H    GLU  68           H        GLU  68   9.685 -12.119  -0.133
  497    HA   GLU  68           HA       GLU  68  11.508 -10.034   0.730
  498   1HB   GLU  68          2HB       GLU  68  12.395 -11.987  -0.468
  499   2HB   GLU  68          1HB       GLU  68  11.427 -11.563  -1.873
  500   1HG   GLU  68          2HG       GLU  68  12.647  -9.504  -2.142
  501   2HG   GLU  68          1HG       GLU  68  13.559  -9.819  -0.668
  502    H    LEU  69           H        LEU  69   8.663 -10.372  -1.168
  503    HA   LEU  69           HA       LEU  69   8.938  -8.133  -2.859
  504   1HB   LEU  69          2HB       LEU  69   7.253  -9.759  -3.329
  505   2HB   LEU  69          1HB       LEU  69   6.498  -9.523  -1.767
  506    HG   LEU  69           HG       LEU  69   5.866  -7.224  -2.462
  507   1HD1  LEU  69          1HD1      LEU  69   7.696  -6.980  -4.139
  508   2HD1  LEU  69          2HD1      LEU  69   6.102  -6.505  -4.724
  509   3HD1  LEU  69          3HD1      LEU  69   6.790  -8.057  -5.203
  510   1HD2  LEU  69          1HD2      LEU  69   4.911  -9.692  -3.785
  511   2HD2  LEU  69          2HD2      LEU  69   4.344  -8.158  -4.442
  512   3HD2  LEU  69          3HD2      LEU  69   4.053  -8.553  -2.749
  513    H    LEU  70           H        LEU  70   6.994  -8.447   0.139
  514    HA   LEU  70           HA       LEU  70   6.496  -5.713   0.453
  515   1HB   LEU  70          2HB       LEU  70   5.313  -7.348   1.794
  516   2HB   LEU  70          1HB       LEU  70   6.809  -7.883   2.533
  517    HG   LEU  70           HG       LEU  70   5.913  -5.043   2.890
  518   1HD1  LEU  70          1HD1      LEU  70   5.158  -6.733   5.092
  519   2HD1  LEU  70          2HD1      LEU  70   4.327  -7.221   3.613
  520   3HD1  LEU  70          3HD1      LEU  70   4.195  -5.562   4.194
  521   1HD2  LEU  70          1HD2      LEU  70   6.984  -5.911   5.228
  522   2HD2  LEU  70          2HD2      LEU  70   7.899  -5.124   3.944
  523   3HD2  LEU  70          3HD2      LEU  70   7.880  -6.883   4.062
  524    H    ASN  71           H        ASN  71   9.131  -7.756   1.553
  525    HA   ASN  71           HA       ASN  71  10.570  -5.823   2.989
  526   1HB   ASN  71          2HB       ASN  71  11.063  -8.242   3.104
  527   2HB   ASN  71          1HB       ASN  71  11.671  -8.189   1.452
  528   1HD2  ASN  71          1HD2      ASN  71  12.483  -7.997   4.664
  529   2HD2  ASN  71          2HD2      ASN  71  14.052  -7.294   4.508
  530    H    HIS  72           H        HIS  72  10.263  -6.425  -0.431
  531    HA   HIS  72           HA       HIS  72  12.525  -4.841  -1.206
  532   1HB   HIS  72          2HB       HIS  72  10.279  -6.172  -2.639
  533   2HB   HIS  72          1HB       HIS  72  11.063  -4.821  -3.448
  534    HD1  HIS  72           1HD      HIS  72  13.963  -5.260  -2.906
  535    HD2  HIS  72           2HD      HIS  72  11.358  -8.381  -3.760
  536    HE1  HIS  72           1HE      HIS  72  15.405  -7.110  -3.806
  537    HE2  HIS  72           2HE      HIS  72  13.791  -8.939  -4.434
  538    H    THR  73           H        THR  73   9.006  -4.354  -1.115
  539    HA   THR  73           HA       THR  73   8.917  -1.737  -2.048
  540    HB   THR  73           HB       THR  73   6.810  -1.521  -0.843
  541    HG1  THR  73           1HG      THR  73   7.690  -2.632   1.087
  542   1HG2  THR  73          1HG2      THR  73   7.269  -4.236  -2.021
  543   2HG2  THR  73          2HG2      THR  73   6.525  -2.825  -2.773
  544   3HG2  THR  73          3HG2      THR  73   5.686  -3.680  -1.479
  545    H    GLN  74           H        GLN  74   9.932  -3.047   1.002
  546    HA   GLN  74           HA       GLN  74   9.938  -0.689   2.558
  547   1HB   GLN  74          2HB       GLN  74  11.716  -3.138   2.720
  548   2HB   GLN  74          1HB       GLN  74  11.610  -1.891   3.958
  549   1HG   GLN  74          2HG       GLN  74   9.390  -3.720   3.073
  550   2HG   GLN  74          1HG       GLN  74  10.308  -3.836   4.570
  551   1HE2  GLN  74          1HE2      GLN  74   7.470  -2.842   3.305
  552   2HE2  GLN  74          2HE2      GLN  74   7.024  -1.652   4.474
  553    H    ARG  75           H        ARG  75  12.281  -2.162   0.390
  554    HA   ARG  75           HA       ARG  75  14.443  -0.449   0.926
  555   1HB   ARG  75          2HB       ARG  75  14.785  -2.566  -0.169
  556   2HB   ARG  75          1HB       ARG  75  13.787  -2.086  -1.530
  557   1HG   ARG  75          2HG       ARG  75  15.430  -0.392  -2.141
  558   2HG   ARG  75          1HG       ARG  75  16.419  -0.842  -0.749
  559   1HD   ARG  75          2HD       ARG  75  16.582  -3.139  -1.680
  560   2HD   ARG  75          1HD       ARG  75  15.723  -2.578  -3.114
  561    HE   ARG  75           HE       ARG  75  17.935  -0.915  -2.704
  562   1HH1  ARG  75          1HH1      ARG  75  17.213  -4.212  -3.572
  563   2HH1  ARG  75          2HH1      ARG  75  18.659  -4.421  -4.501
  564   1HH2  ARG  75          1HH2      ARG  75  19.845  -1.182  -3.917
  565   2HH2  ARG  75          2HH2      ARG  75  20.160  -2.699  -4.696
  566    H    ILE  76           H        ILE  76  11.603  -0.011  -1.057
  567    HA   ILE  76           HA       ILE  76  12.649   2.056  -2.709
  568    HB   ILE  76           HB       ILE  76   9.817   1.334  -1.945
  569   1HG1  ILE  76          2HG1      ILE  76   9.691   0.776  -4.390
  570   2HG1  ILE  76          1HG1      ILE  76  11.416   1.108  -4.506
  571   1HG2  ILE  76          1HG2      ILE  76   9.181   2.944  -3.809
  572   2HG2  ILE  76          2HG2      ILE  76  10.799   3.620  -3.629
  573   3HG2  ILE  76          3HG2      ILE  76   9.673   3.659  -2.273
  574   1HD1  ILE  76          1HD1      ILE  76  10.581  -0.839  -2.455
  575   2HD1  ILE  76          2HD1      ILE  76  11.987  -0.833  -3.519
  576   3HD1  ILE  76          3HD1      ILE  76  10.413  -1.329  -4.141
  577    H    GLU  77           H        GLU  77  11.201   1.897   0.441
  578    HA   GLU  77           HA       GLU  77  10.724   4.632   0.869
  579   1HB   GLU  77          2HB       GLU  77  11.364   2.417   2.820
  580   2HB   GLU  77          1HB       GLU  77  10.748   3.995   3.265
  581   1HG   GLU  77          2HG       GLU  77   8.707   3.567   2.003
  582   2HG   GLU  77          1HG       GLU  77   9.330   1.982   1.545
  583    H    LEU  78           H        LEU  78  13.556   2.641   1.122
  584    HA   LEU  78           HA       LEU  78  15.146   4.612   2.493
  585   1HB   LEU  78          2HB       LEU  78  15.946   2.041   1.122
  586   2HB   LEU  78          1HB       LEU  78  17.002   3.026   2.115
  587    HG   LEU  78           HG       LEU  78  14.511   1.631   3.102
  588   1HD1  LEU  78          1HD1      LEU  78  17.337   0.807   2.891
  589   2HD1  LEU  78          2HD1      LEU  78  15.865  -0.163   2.900
  590   3HD1  LEU  78          3HD1      LEU  78  16.524   0.453   4.415
  591   1HD2  LEU  78          1HD2      LEU  78  16.593   3.335   4.437
  592   2HD2  LEU  78          2HD2      LEU  78  15.628   2.165   5.338
  593   3HD2  LEU  78          3HD2      LEU  78  14.838   3.493   4.487
  594    H    GLN  79           H        GLN  79  14.887   3.319  -0.791
  595    HA   GLN  79           HA       GLN  79  16.980   4.882  -1.891
  596   1HB   GLN  79          2HB       GLN  79  14.574   3.777  -3.357
  597   2HB   GLN  79          1HB       GLN  79  16.132   4.205  -4.049
  598   1HG   GLN  79          2HG       GLN  79  17.175   2.389  -2.744
  599   2HG   GLN  79          1HG       GLN  79  15.585   1.943  -2.143
  600   1HE2  GLN  79          1HE2      GLN  79  15.062   2.991  -5.194
  601   2HE2  GLN  79          2HE2      GLN  79  15.181   1.493  -6.045
  602    H    GLN  80           H        GLN  80  14.021   5.734  -0.652
  603    HA   GLN  80           HA       GLN  80  13.623   8.004  -2.440
  604   1HB   GLN  80          2HB       GLN  80  11.946   6.425  -0.616
  605   2HB   GLN  80          1HB       GLN  80  11.624   8.146  -0.589
  606   1HG   GLN  80          2HG       GLN  80  11.562   6.344  -2.998
  607   2HG   GLN  80          1HG       GLN  80  10.172   7.041  -2.171
  608   1HE2  GLN  80          1HE2      GLN  80   9.359   8.797  -3.045
  609   2HE2  GLN  80          2HE2      GLN  80  10.187   9.905  -4.079
  610    H    GLY  81           H        GLY  81  15.620   7.469  -0.059
  611   1HA   GLY  81          2HA       GLY  81  16.739   8.796   1.435
  612   2HA   GLY  81          1HA       GLY  81  16.010  10.164   0.610
  613    H    ARG  82           H        ARG  82  14.092   7.681   2.191
  614    HA   ARG  82           HA       ARG  82  12.599   9.527   3.691
  615   1HB   ARG  82          2HB       ARG  82  11.571   7.681   4.748
  616   2HB   ARG  82          1HB       ARG  82  11.979   7.111   3.135
  617   1HG   ARG  82          2HG       ARG  82  13.919   5.956   3.995
  618   2HG   ARG  82          1HG       ARG  82  13.615   6.595   5.610
  619   1HD   ARG  82          2HD       ARG  82  11.465   5.405   5.659
  620   2HD   ARG  82          1HD       ARG  82  11.811   4.741   4.062
  621    HE   ARG  82           HE       ARG  82  13.947   4.093   5.728
  622   1HH1  ARG  82          1HH1      ARG  82  10.547   3.386   5.448
  623   2HH1  ARG  82          2HH1      ARG  82  10.684   1.814   6.163
  624   1HH2  ARG  82          1HH2      ARG  82  14.136   2.025   6.669
  625   2HH2  ARG  82          2HH2      ARG  82  12.724   1.040   6.855
  626    H    VAL  83           H        VAL  83  12.524   9.752   6.035
  627    HA   VAL  83           HA       VAL  83  15.045   9.159   7.404
  628    HB   VAL  83           HB       VAL  83  13.697  11.857   7.520
  629   1HG1  VAL  83          1HG1      VAL  83  14.887  12.155   9.370
  630   2HG1  VAL  83          2HG1      VAL  83  16.364  11.931   8.432
  631   3HG1  VAL  83          3HG1      VAL  83  15.592  10.546   9.207
  632   1HG2  VAL  83          1HG2      VAL  83  15.117  10.967   5.401
  633   2HG2  VAL  83          2HG2      VAL  83  16.415  11.618   6.404
  634   3HG2  VAL  83          3HG2      VAL  83  15.074  12.654   5.916
  635    H    ARG  84           H        ARG  84  13.852   7.531   8.433
  636    HA   ARG  84           HA       ARG  84  11.469   8.062   9.882
  637   1HB   ARG  84          2HB       ARG  84  11.844   5.753  10.781
  638   2HB   ARG  84          1HB       ARG  84  11.807   5.867   9.027
  639   1HG   ARG  84          2HG       ARG  84  14.299   5.883   9.042
  640   2HG   ARG  84          1HG       ARG  84  14.236   5.579  10.778
  641   1HD   ARG  84          2HD       ARG  84  12.991   3.509  10.365
  642   2HD   ARG  84          1HD       ARG  84  13.069   3.816   8.629
  643    HE   ARG  84           HE       ARG  84  15.136   2.875   8.654
  644   1HH1  ARG  84          1HH1      ARG  84  14.507   4.157  11.836
  645   2HH1  ARG  84          2HH1      ARG  84  16.015   3.615  12.492
  646   1HH2  ARG  84          1HH2      ARG  84  17.122   2.163   9.511
  647   2HH2  ARG  84          2HH2      ARG  84  17.502   2.481  11.171
  648    H    LYS  85           H        LYS  85  12.280   9.929  11.148
  649    HA   LYS  85           HA       LYS  85  14.235   9.680  13.153
  650   1HB   LYS  85          2HB       LYS  85  11.748  11.397  13.049
  651   2HB   LYS  85          1HB       LYS  85  12.986  11.551  14.286
  652   1HG   LYS  85          2HG       LYS  85  13.420  11.936  11.332
  653   2HG   LYS  85          1HG       LYS  85  13.226  13.225  12.520
  654   1HD   LYS  85          2HD       LYS  85  15.229  12.428  13.696
  655   2HD   LYS  85          1HD       LYS  85  15.426  11.160  12.484
  656   1HE   LYS  85          2HE       LYS  85  15.684  12.868  10.748
  657   2HE   LYS  85          1HE       LYS  85  15.495  14.130  11.965
  658   1HZ   LYS  85          1HZ       LYS  85  17.708  12.172  11.727
  659   2HZ   LYS  85          2HZ       LYS  85  17.481  13.146  13.090
  660   3HZ   LYS  85          3HZ       LYS  85  17.800  13.856  11.589
  661    H    ALA  86           H        ALA  86  10.751   9.784  13.668
  662    HA   ALA  86           HA       ALA  86  10.898   7.403  15.342
  663   1HB   ALA  86          1HB       ALA  86  10.143  10.128  16.305
  664   2HB   ALA  86          2HB       ALA  86  11.084   8.874  17.111
  665   3HB   ALA  86          3HB       ALA  86   9.332   8.716  16.984
  666    H    GLU  87           H        GLU  87   9.507   6.130  14.294
  667    HA   GLU  87           HA       GLU  87   6.862   7.230  13.636
  668   1HB   GLU  87          2HB       GLU  87   6.797   5.740  11.655
  669   2HB   GLU  87          1HB       GLU  87   8.049   6.971  11.550
  670   1HG   GLU  87          2HG       GLU  87   9.727   5.317  12.194
  671   2HG   GLU  87          1HG       GLU  87   8.469   4.087  12.304
  672    H    ARG  88           H        ARG  88   5.403   6.303  14.931
  673    HA   ARG  88           HA       ARG  88   5.904   3.572  15.868
  674   1HB   ARG  88          2HB       ARG  88   3.773   5.535  16.742
  675   2HB   ARG  88          1HB       ARG  88   4.157   4.002  17.516
  676   1HG   ARG  88          2HG       ARG  88   6.346   4.840  18.142
  677   2HG   ARG  88          1HG       ARG  88   6.022   6.360  17.307
  678   1HD   ARG  88          2HD       ARG  88   5.656   6.677  19.660
  679   2HD   ARG  88          1HD       ARG  88   4.102   6.730  18.831
  680    HE   ARG  88           HE       ARG  88   3.456   4.974  20.122
  681   1HH1  ARG  88          1HH1      ARG  88   6.933   4.922  19.886
  682   2HH1  ARG  88          2HH1      ARG  88   7.113   3.554  20.934
  683   1HH2  ARG  88          1HH2      ARG  88   3.684   3.174  21.504
  684   2HH2  ARG  88          2HH2      ARG  88   5.265   2.560  21.853
  685    H    TRP  89           H        TRP  89   3.126   5.475  14.698
  686    HA   TRP  89           HA       TRP  89   2.203   3.082  13.255
  687   1HB   TRP  89          2HB       TRP  89   0.855   3.642  15.325
  688   2HB   TRP  89          1HB       TRP  89   0.378   5.131  14.520
  689    HD1  TRP  89           HD       TRP  89   0.550   1.660  12.828
  690    HE1  TRP  89           1HE      TRP  89  -1.813   1.050  12.010
  691    HE3  TRP  89           3HE      TRP  89  -2.032   5.619  14.777
  692    HZ2  TRP  89           2HZ      TRP  89  -4.422   2.107  12.170
  693    HZ3  TRP  89           3HZ      TRP  89  -4.462   5.743  14.400
  694    HH2  TRP  89           HH       TRP  89  -5.630   4.022  13.122
  695    H    GLY  90           H        GLY  90   3.598   5.903  12.752
  696   1HA   GLY  90          2HA       GLY  90   1.778   6.860  10.665
  697   2HA   GLY  90          1HA       GLY  90   3.151   7.738  11.306
  698    HA   PRO  91           HA       PRO  91   4.147   5.659   7.162
  699   1HB   PRO  91          2HB       PRO  91   3.903   7.775   5.519
  700   2HB   PRO  91          1HB       PRO  91   2.509   6.785   5.972
  701   1HG   PRO  91          2HG       PRO  91   3.403   9.417   7.085
  702   2HG   PRO  91          1HG       PRO  91   1.771   8.898   6.619
  703   1HD   PRO  91          2HD       PRO  91   2.655   8.898   9.187
  704   2HD   PRO  91          1HD       PRO  91   1.447   7.750   8.579
  705    H    ARG  92           H        ARG  92   4.875   9.122   7.579
  706    HA   ARG  92           HA       ARG  92   6.798  10.290   7.766
  707   1HB   ARG  92          2HB       ARG  92   7.461   8.188   9.219
  708   2HB   ARG  92          1HB       ARG  92   8.493   7.827   7.842
  709   1HG   ARG  92          2HG       ARG  92   8.567  10.268   9.596
  710   2HG   ARG  92          1HG       ARG  92   9.796   9.019   9.434
  711   1HD   ARG  92          2HD       ARG  92  10.321   9.711   7.222
  712   2HD   ARG  92          1HD       ARG  92   8.925  10.782   7.157
  713    HE   ARG  92           HE       ARG  92  10.497  11.636   9.277
  714   1HH1  ARG  92          1HH1      ARG  92  10.800  11.315   5.821
  715   2HH1  ARG  92          2HH1      ARG  92  11.876  12.663   5.660
  716   1HH2  ARG  92          1HH2      ARG  92  11.913  13.411   9.074
  717   2HH2  ARG  92          2HH2      ARG  92  12.511  13.853   7.509
  718    H    THR  93           H        THR  93   6.185  10.722   5.534
  719    HA   THR  93           HA       THR  93   6.916  11.308   3.461
  720    HB   THR  93           HB       THR  93   9.242   9.444   4.005
  721    HG1  THR  93           1HG      THR  93   9.043  11.411   5.290
  722   1HG2  THR  93          1HG2      THR  93   9.100  11.565   1.888
  723   2HG2  THR  93          2HG2      THR  93   8.775   9.861   1.572
  724   3HG2  THR  93          3HG2      THR  93  10.363  10.365   2.148
  725    H    LEU  94           H        LEU  94   7.420   7.855   4.170
  726    HA   LEU  94           HA       LEU  94   5.304   7.110   2.448
  727   1HB   LEU  94          2HB       LEU  94   6.452   6.049   0.663
  728   2HB   LEU  94          1HB       LEU  94   7.078   7.680   0.778
  729    HG   LEU  94           HG       LEU  94   8.468   5.202   1.807
  730   1HD1  LEU  94          1HD1      LEU  94   8.924   6.893  -0.643
  731   2HD1  LEU  94          2HD1      LEU  94   8.455   5.194  -0.586
  732   3HD1  LEU  94          3HD1      LEU  94  10.057   5.684  -0.040
  733   1HD2  LEU  94          1HD2      LEU  94  10.417   6.914   1.821
  734   2HD2  LEU  94          2HD2      LEU  94   9.273   6.896   3.165
  735   3HD2  LEU  94          3HD2      LEU  94   9.130   8.118   1.900
  736    H    ASP  95           H        ASP  95   4.779   4.936   2.553
  737    HA   ASP  95           HA       ASP  95   6.429   3.035   3.927
  738   1HB   ASP  95          2HB       ASP  95   5.508   4.328   5.834
  739   2HB   ASP  95          1HB       ASP  95   3.880   3.974   5.267
  740    H    LEU  96           H        LEU  96   6.104   1.875   2.019
  741    HA   LEU  96           HA       LEU  96   3.354   1.030   1.472
  742   1HB   LEU  96          2HB       LEU  96   4.158   0.316  -0.721
  743   2HB   LEU  96          1HB       LEU  96   4.480   2.007  -0.429
  744    HG   LEU  96           HG       LEU  96   6.588  -0.113  -0.066
  745   1HD1  LEU  96          1HD1      LEU  96   5.539   1.158  -2.523
  746   2HD1  LEU  96          2HD1      LEU  96   6.332  -0.404  -2.299
  747   3HD1  LEU  96          3HD1      LEU  96   7.293   1.072  -2.360
  748   1HD2  LEU  96          1HD2      LEU  96   6.438   2.770   0.255
  749   2HD2  LEU  96          2HD2      LEU  96   7.729   2.280  -0.845
  750   3HD2  LEU  96          3HD2      LEU  96   7.674   1.635   0.798
  751    H    ASP  97           H        ASP  97   2.795  -0.749   2.493
  752    HA   ASP  97           HA       ASP  97   4.716  -2.987   2.588
  753   1HB   ASP  97          2HB       ASP  97   2.521  -2.410   4.598
  754   2HB   ASP  97          1HB       ASP  97   3.718  -3.696   4.688
  755    H    ILE  98           H        ILE  98   3.829  -5.114   2.344
  756    HA   ILE  98           HA       ILE  98   1.824  -5.322   0.394
  757    HB   ILE  98           HB       ILE  98   3.135  -7.355   2.175
  758   1HG1  ILE  98          2HG1      ILE  98   4.513  -6.729   0.364
  759   2HG1  ILE  98          1HG1      ILE  98   3.787  -8.257  -0.109
  760   1HG2  ILE  98          1HG2      ILE  98   1.201  -8.532   2.055
  761   2HG2  ILE  98          2HG2      ILE  98   1.834  -8.958   0.467
  762   3HG2  ILE  98          3HG2      ILE  98   0.636  -7.673   0.624
  763   1HD1  ILE  98          1HD1      ILE  98   3.675  -6.952  -2.024
  764   2HD1  ILE  98          2HD1      ILE  98   3.178  -5.516  -1.131
  765   3HD1  ILE  98          3HD1      ILE  98   2.052  -6.856  -1.344
  766    H    MET  99           H        MET  99  -0.294  -5.212   0.526
  767    HA   MET  99           HA       MET  99  -1.574  -5.632   3.151
  768   1HB   MET  99          2HB       MET  99  -2.598  -3.925   0.879
  769   2HB   MET  99          1HB       MET  99  -3.267  -4.040   2.502
  770   1HG   MET  99          2HG       MET  99  -0.604  -2.876   1.735
  771   2HG   MET  99          1HG       MET  99  -2.035  -1.993   2.259
  772   1HE   MET  99          1HE       MET  99  -3.060  -2.220   4.756
  773   2HE   MET  99          2HE       MET  99  -2.343  -3.248   5.995
  774   3HE   MET  99          3HE       MET  99  -3.082  -3.975   4.568
  775    H    LEU 100           H        LEU 100  -1.383  -6.590  -0.111
  776    HA   LEU 100           HA       LEU 100  -3.203  -8.758   0.321
  777   1HB   LEU 100          2HB       LEU 100  -4.134  -6.363  -1.043
  778   2HB   LEU 100          1HB       LEU 100  -4.199  -7.755  -2.104
  779    HG   LEU 100           HG       LEU 100  -5.516  -7.548   0.608
  780   1HD1  LEU 100          1HD1      LEU 100  -6.844  -6.244  -0.747
  781   2HD1  LEU 100          2HD1      LEU 100  -7.570  -7.837  -0.966
  782   3HD1  LEU 100          3HD1      LEU 100  -6.480  -7.187  -2.192
  783   1HD2  LEU 100          1HD2      LEU 100  -6.550  -9.673  -0.923
  784   2HD2  LEU 100          2HD2      LEU 100  -5.638  -9.762   0.585
  785   3HD2  LEU 100          3HD2      LEU 100  -4.793  -9.821  -0.963
  786    H    PHE 101           H        PHE 101  -2.466 -10.471  -0.777
  787    HA   PHE 101           HA       PHE 101  -1.031 -10.115  -3.272
  788   1HB   PHE 101          2HB       PHE 101   0.623  -9.755  -1.390
  789   2HB   PHE 101          1HB       PHE 101   0.357 -11.431  -0.931
  790    HD1  PHE 101           1HD      PHE 101   2.527 -12.259  -1.270
  791    HD2  PHE 101           2HD      PHE 101   0.539 -10.164  -4.395
  792    HE1  PHE 101           1HE      PHE 101   4.270 -12.972  -2.859
  793    HE2  PHE 101           2HE      PHE 101   2.277 -10.870  -5.985
  794    HZ   PHE 101           HZ       PHE 101   4.146 -12.276  -5.218
  795    H    GLY 102           H        GLY 102  -2.403 -11.448  -4.348
  796   1HA   GLY 102          2HA       GLY 102  -3.460 -13.380  -5.003
  797   2HA   GLY 102          1HA       GLY 102  -2.033 -14.184  -4.366
  798    H    ASN 103           H        ASN 103  -2.801 -15.892  -3.280
  799    HA   ASN 103           HA       ASN 103  -4.811 -15.352  -1.199
  800   1HB   ASN 103          2HB       ASN 103  -5.670 -17.638  -1.505
  801   2HB   ASN 103          1HB       ASN 103  -5.833 -16.678  -2.970
  802   1HD2  ASN 103          1HD2      ASN 103  -2.637 -17.335  -2.765
  803   2HD2  ASN 103          2HD2      ASN 103  -2.577 -18.790  -3.689
  804    H    GLU 104           H        GLU 104  -1.696 -15.726  -1.480
  805    HA   GLU 104           HA       GLU 104  -1.144 -17.957   0.211
  806   1HB   GLU 104          2HB       GLU 104   1.121 -16.744   0.473
  807   2HB   GLU 104          1HB       GLU 104   0.685 -17.431  -1.078
  808   1HG   GLU 104          2HG       GLU 104   0.097 -14.566  -0.479
  809   2HG   GLU 104          1HG       GLU 104   1.720 -15.060  -0.959
  810    H    VAL 105           H        VAL 105   0.068 -17.698   2.248
  811    HA   VAL 105           HA       VAL 105  -0.690 -15.400   3.866
  812    HB   VAL 105           HB       VAL 105  -1.500 -18.235   4.510
  813   1HG1  VAL 105          1HG1      VAL 105  -1.454 -15.756   6.217
  814   2HG1  VAL 105          2HG1      VAL 105  -0.787 -17.351   6.574
  815   3HG1  VAL 105          3HG1      VAL 105  -2.534 -17.108   6.564
  816   1HG2  VAL 105          1HG2      VAL 105  -3.782 -17.222   4.636
  817   2HG2  VAL 105          2HG2      VAL 105  -3.068 -17.208   3.023
  818   3HG2  VAL 105          3HG2      VAL 105  -3.095 -15.731   3.989
  819    H    ILE 106           H        ILE 106   1.572 -15.018   3.870
  820    HA   ILE 106           HA       ILE 106   3.067 -16.860   5.618
  821    HB   ILE 106           HB       ILE 106   4.205 -15.282   3.306
  822   1HG1  ILE 106          2HG1      ILE 106   3.834 -18.268   3.645
  823   2HG1  ILE 106          1HG1      ILE 106   2.863 -17.236   2.600
  824   1HG2  ILE 106          1HG2      ILE 106   6.313 -16.195   3.832
  825   2HG2  ILE 106          2HG2      ILE 106   5.620 -17.341   4.980
  826   3HG2  ILE 106          3HG2      ILE 106   5.655 -15.620   5.364
  827   1HD1  ILE 106          1HD1      ILE 106   5.344 -18.531   2.056
  828   2HD1  ILE 106          2HD1      ILE 106   5.545 -16.786   1.898
  829   3HD1  ILE 106          3HD1      ILE 106   4.299 -17.618   0.967
  830    H    ASN 107           H        ASN 107   3.829 -15.972   7.401
  831    HA   ASN 107           HA       ASN 107   4.160 -13.043   7.523
  832   1HB   ASN 107          2HB       ASN 107   3.227 -14.911   9.721
  833   2HB   ASN 107          1HB       ASN 107   3.570 -13.201   9.935
  834   1HD2  ASN 107          1HD2      ASN 107   2.284 -13.324   6.952
  835   2HD2  ASN 107          2HD2      ASN 107   0.617 -13.103   7.331
  836    H    THR 108           H        THR 108   6.302 -12.710   7.451
  837    HA   THR 108           HA       THR 108   8.042 -14.545   8.945
  838    HB   THR 108           HB       THR 108   9.887 -13.618   7.599
  839    HG1  THR 108           1HG      THR 108   9.380 -12.198   5.902
  840   1HG2  THR 108          1HG2      THR 108   9.517 -14.970   5.873
  841   2HG2  THR 108          2HG2      THR 108   8.023 -14.149   5.422
  842   3HG2  THR 108          3HG2      THR 108   8.011 -15.367   6.699
  843    H    GLU 109           H        GLU 109   9.912 -11.958   8.436
  844    HA   GLU 109           HA       GLU 109   9.569 -11.026  11.171
  845   1HB   GLU 109          2HB       GLU 109  11.719 -10.412   9.136
  846   2HB   GLU 109          1HB       GLU 109  11.730  -9.893  10.816
  847   1HG   GLU 109          2HG       GLU 109  11.806 -12.223  11.537
  848   2HG   GLU 109          1HG       GLU 109  11.786 -12.745   9.855
  849    H    ARG 110           H        ARG 110   9.550  -9.769   7.871
  850    HA   ARG 110           HA       ARG 110   8.326  -7.293   8.900
  851   1HB   ARG 110          2HB       ARG 110  10.035  -7.608   6.426
  852   2HB   ARG 110          1HB       ARG 110   9.311  -6.115   6.998
  853   1HG   ARG 110          2HG       ARG 110  10.671  -6.238   9.032
  854   2HG   ARG 110          1HG       ARG 110  11.407  -7.728   8.437
  855   1HD   ARG 110          2HD       ARG 110  12.898  -5.906   7.987
  856   2HD   ARG 110          1HD       ARG 110  12.224  -6.469   6.460
  857    HE   ARG 110           HE       ARG 110  10.623  -4.380   7.384
  858   1HH1  ARG 110          1HH1      ARG 110  13.875  -4.900   6.241
  859   2HH1  ARG 110          2HH1      ARG 110  14.051  -3.294   5.621
  860   1HH2  ARG 110          1HH2      ARG 110  10.851  -2.260   6.574
  861   2HH2  ARG 110          2HH2      ARG 110  12.333  -1.793   5.810
  862    H    LEU 111           H        LEU 111   8.199  -9.897   6.616
  863    HA   LEU 111           HA       LEU 111   6.303  -8.832   4.834
  864   1HB   LEU 111          2HB       LEU 111   7.317 -10.711   3.984
  865   2HB   LEU 111          1HB       LEU 111   7.245 -11.570   5.510
  866    HG   LEU 111           HG       LEU 111   4.853 -11.970   5.193
  867   1HD1  LEU 111          1HD1      LEU 111   5.258 -10.243   2.798
  868   2HD1  LEU 111          2HD1      LEU 111   3.952 -10.233   3.984
  869   3HD1  LEU 111          3HD1      LEU 111   4.027 -11.507   2.765
  870   1HD2  LEU 111          1HD2      LEU 111   5.140 -13.773   3.888
  871   2HD2  LEU 111          2HD2      LEU 111   6.838 -13.307   4.006
  872   3HD2  LEU 111          3HD2      LEU 111   5.892 -12.846   2.589
  873    H    THR 112           H        THR 112   4.204  -8.596   4.902
  874    HA   THR 112           HA       THR 112   2.622 -10.015   6.893
  875    HB   THR 112           HB       THR 112   1.312  -7.793   7.130
  876    HG1  THR 112           1HG      THR 112   3.853  -6.753   6.458
  877   1HG2  THR 112          1HG2      THR 112   3.562  -7.078   8.646
  878   2HG2  THR 112          2HG2      THR 112   3.496  -8.840   8.621
  879   3HG2  THR 112          3HG2      THR 112   2.102  -7.913   9.180
  880    H    VAL 113           H        VAL 113   1.046 -11.026   5.845
  881    HA   VAL 113           HA       VAL 113   0.303 -10.182   3.173
  882    HB   VAL 113           HB       VAL 113   0.499 -12.641   4.409
  883   1HG1  VAL 113          1HG1      VAL 113  -1.780 -11.978   5.476
  884   2HG1  VAL 113          2HG1      VAL 113  -1.517 -13.612   4.871
  885   3HG1  VAL 113          3HG1      VAL 113  -2.424 -12.452   3.903
  886   1HG2  VAL 113          1HG2      VAL 113   0.652 -12.990   2.225
  887   2HG2  VAL 113          2HG2      VAL 113  -0.399 -11.625   1.844
  888   3HG2  VAL 113          3HG2      VAL 113  -1.101 -13.192   2.248
  889    HA   PRO 114           HA       PRO 114  -3.740  -8.134   3.614
  890   1HB   PRO 114          2HB       PRO 114  -4.864 -10.756   4.560
  891   2HB   PRO 114          1HB       PRO 114  -5.633  -9.507   3.572
  892   1HG   PRO 114          2HG       PRO 114  -4.341 -11.747   2.559
  893   2HG   PRO 114          1HG       PRO 114  -4.652 -10.259   1.653
  894   1HD   PRO 114          2HD       PRO 114  -2.120 -11.314   2.374
  895   2HD   PRO 114          1HD       PRO 114  -2.438  -9.716   1.673
  896    H    HIS 115           H        HIS 115  -2.692  -7.008   5.285
  897    HA   HIS 115           HA       HIS 115  -2.747  -7.951   7.995
  898   1HB   HIS 115          2HB       HIS 115  -0.906  -6.576   7.034
  899   2HB   HIS 115          1HB       HIS 115  -2.029  -5.236   6.863
  900    HD1  HIS 115           1HD      HIS 115  -3.326  -4.990   9.516
  901    HD2  HIS 115           2HD      HIS 115   0.686  -5.986   9.105
  902    HE1  HIS 115           1HE      HIS 115  -2.246  -4.343  11.695
  903    HE2  HIS 115           2HE      HIS 115   0.160  -5.054  11.461
  904    H    TYR 116           H        TYR 116  -4.310  -7.616   9.429
  905    HA   TYR 116           HA       TYR 116  -6.749  -6.397   8.752
  906   1HB   TYR 116          2HB       TYR 116  -6.927  -6.358  11.421
  907   2HB   TYR 116          1HB       TYR 116  -7.095  -7.842  10.492
  908    HD1  TYR 116           1HD      TYR 116  -4.025  -5.955  11.425
  909    HD2  TYR 116           2HD      TYR 116  -6.270  -9.538  11.907
  910    HE1  TYR 116           1HE      TYR 116  -2.174  -6.937  12.709
  911    HE2  TYR 116           2HE      TYR 116  -4.424 -10.527  13.189
  912    HH   TYR 116           HH       TYR 116  -2.014  -8.835  14.549
  913    H    ASP 117           H        ASP 117  -6.370  -4.353   7.940
  914    HA   ASP 117           HA       ASP 117  -6.370  -2.199   9.779
  915   1HB   ASP 117          2HB       ASP 117  -3.894  -3.016   9.696
  916   2HB   ASP 117          1HB       ASP 117  -3.877  -2.292   8.094
  917    H    MET 118           H        MET 118  -5.899  -3.457   6.592
  918    HA   MET 118           HA       MET 118  -6.516  -0.974   5.236
  919   1HB   MET 118          2HB       MET 118  -6.138  -2.285   3.220
  920   2HB   MET 118          1HB       MET 118  -4.825  -2.518   4.365
  921   1HG   MET 118          2HG       MET 118  -5.160  -4.684   3.801
  922   2HG   MET 118          1HG       MET 118  -6.353  -4.563   5.100
  923   1HE   MET 118          1HE       MET 118  -5.652  -4.097   1.447
  924   2HE   MET 118          2HE       MET 118  -7.052  -3.038   1.278
  925   3HE   MET 118          3HE       MET 118  -7.091  -4.665   0.600
  926    H    LYS 119           H        LYS 119  -8.017  -4.068   5.878
  927    HA   LYS 119           HA       LYS 119 -10.264  -3.670   4.172
  928   1HB   LYS 119          2HB       LYS 119 -10.864  -5.601   6.173
  929   2HB   LYS 119          1HB       LYS 119 -10.474  -5.852   4.477
  930   1HG   LYS 119          2HG       LYS 119  -8.168  -6.090   4.944
  931   2HG   LYS 119          1HG       LYS 119  -8.374  -5.522   6.599
  932   1HD   LYS 119          2HD       LYS 119  -8.101  -7.930   6.582
  933   2HD   LYS 119          1HD       LYS 119  -9.744  -7.525   7.078
  934   1HE   LYS 119          2HE       LYS 119  -9.727  -9.394   5.510
  935   2HE   LYS 119          1HE       LYS 119 -10.549  -7.994   4.823
  936   1HZ   LYS 119          1HZ       LYS 119  -8.172  -7.526   3.872
  937   2HZ   LYS 119          2HZ       LYS 119  -9.221  -8.600   3.091
  938   3HZ   LYS 119          3HZ       LYS 119  -7.982  -9.194   4.077
  939    H    ASN 120           H        ASN 120  -9.490  -2.215   7.013
  940    HA   ASN 120           HA       ASN 120 -12.329  -1.757   7.625
  941   1HB   ASN 120          2HB       ASN 120 -11.771  -1.548   9.981
  942   2HB   ASN 120          1HB       ASN 120 -11.250  -3.115   9.377
  943   1HD2  ASN 120          1HD2      ASN 120  -9.154  -0.907   8.179
  944   2HD2  ASN 120          2HD2      ASN 120  -7.931  -0.981   9.391
  945    H    ARG 121           H        ARG 121 -10.628  -0.358   5.813
  946    HA   ARG 121           HA       ARG 121 -10.928   2.333   6.853
  947   1HB   ARG 121          2HB       ARG 121  -8.300   1.291   5.769
  948   2HB   ARG 121          1HB       ARG 121  -8.641   2.971   6.158
  949   1HG   ARG 121          2HG       ARG 121  -8.808   0.768   8.189
  950   2HG   ARG 121          1HG       ARG 121  -7.325   1.664   7.868
  951   1HD   ARG 121          2HD       ARG 121  -8.472   3.754   8.432
  952   2HD   ARG 121          1HD       ARG 121  -9.959   2.858   8.739
  953    HE   ARG 121           HE       ARG 121  -7.926   1.797  10.349
  954   1HH1  ARG 121          1HH1      ARG 121  -9.805   4.713  10.005
  955   2HH1  ARG 121          2HH1      ARG 121  -9.713   5.122  11.686
  956   1HH2  ARG 121          1HH2      ARG 121  -7.803   2.331  12.564
  957   2HH2  ARG 121          2HH2      ARG 121  -8.577   3.771  13.138
  958    H    GLY 122           H        GLY 122  -9.482   3.557   4.705
  959   1HA   GLY 122          2HA       GLY 122 -10.959   2.582   2.344
  960   2HA   GLY 122          1HA       GLY 122 -11.018   4.274   2.806
  961    H    PHE 123           H        PHE 123  -8.059   3.867   3.670
  962    HA   PHE 123           HA       PHE 123  -6.953   5.002   1.364
  963   1HB   PHE 123          2HB       PHE 123  -4.747   4.634   2.466
  964   2HB   PHE 123          1HB       PHE 123  -5.924   5.445   3.490
  965    HD1  PHE 123           1HD      PHE 123  -4.636   2.030   2.741
  966    HD2  PHE 123           2HD      PHE 123  -6.178   4.707   5.667
  967    HE1  PHE 123           1HE      PHE 123  -4.269   0.333   4.481
  968    HE2  PHE 123           2HE      PHE 123  -5.806   3.018   7.415
  969    HZ   PHE 123           HZ       PHE 123  -4.774   0.893   6.869
  970    H    MET 124           H        MET 124  -7.193   1.712   2.472
  971    HA   MET 124           HA       MET 124  -5.598   0.791   0.219
  972   1HB   MET 124          2HB       MET 124  -6.421  -0.376   2.781
  973   2HB   MET 124          1HB       MET 124  -6.461  -1.499   1.428
  974   1HG   MET 124          2HG       MET 124  -4.068   0.194   2.116
  975   2HG   MET 124          1HG       MET 124  -4.318  -1.443   2.715
  976   1HE   MET 124          1HE       MET 124  -2.699   0.159  -1.017
  977   2HE   MET 124          2HE       MET 124  -4.030   0.883  -0.113
  978   3HE   MET 124          3HE       MET 124  -4.366  -0.136  -1.514
  979    H    LEU 125           H        LEU 125  -8.755  -0.120   1.566
  980    HA   LEU 125           HA       LEU 125  -9.704  -1.646  -0.481
  981   1HB   LEU 125          2HB       LEU 125 -11.302   0.266   1.212
  982   2HB   LEU 125          1HB       LEU 125 -11.971  -1.054   0.276
  983    HG   LEU 125           HG       LEU 125 -10.116  -1.319   2.637
  984   1HD1  LEU 125          1HD1      LEU 125 -12.227  -2.566   3.480
  985   2HD1  LEU 125          2HD1      LEU 125 -13.062  -1.600   2.263
  986   3HD1  LEU 125          3HD1      LEU 125 -12.163  -0.805   3.557
  987   1HD2  LEU 125          1HD2      LEU 125 -10.202  -3.644   2.384
  988   2HD2  LEU 125          2HD2      LEU 125  -9.898  -3.036   0.758
  989   3HD2  LEU 125          3HD2      LEU 125 -11.519  -3.556   1.216
  990    H    TRP 126           H        TRP 126 -10.359   1.887  -0.222
  991    HA   TRP 126           HA       TRP 126 -11.879   2.019  -2.542
  992   1HB   TRP 126          2HB       TRP 126 -11.906   3.812  -0.962
  993   2HB   TRP 126          1HB       TRP 126 -10.194   4.132  -1.212
  994    HD1  TRP 126           HD       TRP 126 -10.203   6.472  -2.204
  995    HE1  TRP 126           1HE      TRP 126 -11.270   7.596  -4.260
  996    HE3  TRP 126           3HE      TRP 126 -13.265   2.668  -3.711
  997    HZ2  TRP 126           2HZ      TRP 126 -13.159   6.954  -6.255
  998    HZ3  TRP 126           3HZ      TRP 126 -14.670   3.004  -5.702
  999    HH2  TRP 126           HH       TRP 126 -14.618   5.104  -6.947
 1000    HA   PRO 127           HA       PRO 127  -8.018   3.346  -5.131
 1001   1HB   PRO 127          2HB       PRO 127  -5.722   2.503  -3.482
 1002   2HB   PRO 127          1HB       PRO 127  -5.979   4.010  -4.368
 1003   1HG   PRO 127          2HG       PRO 127  -6.099   3.955  -1.707
 1004   2HG   PRO 127          1HG       PRO 127  -7.215   4.962  -2.652
 1005   1HD   PRO 127          2HD       PRO 127  -7.700   2.278  -1.388
 1006   2HD   PRO 127          1HD       PRO 127  -8.736   3.729  -1.376
 1007    H    LEU 128           H        LEU 128  -7.375   0.515  -3.050
 1008    HA   LEU 128           HA       LEU 128  -6.064  -1.058  -4.974
 1009   1HB   LEU 128          2HB       LEU 128  -6.724  -1.358  -2.340
 1010   2HB   LEU 128          1HB       LEU 128  -7.817  -2.484  -3.105
 1011    HG   LEU 128           HG       LEU 128  -5.763  -3.446  -4.265
 1012   1HD1  LEU 128          1HD1      LEU 128  -3.819  -3.084  -2.446
 1013   2HD1  LEU 128          2HD1      LEU 128  -4.577  -1.494  -2.390
 1014   3HD1  LEU 128          3HD1      LEU 128  -3.958  -2.121  -3.916
 1015   1HD2  LEU 128          1HD2      LEU 128  -5.358  -4.095  -1.477
 1016   2HD2  LEU 128          2HD2      LEU 128  -6.016  -5.085  -2.781
 1017   3HD2  LEU 128          3HD2      LEU 128  -7.073  -4.001  -1.876
 1018    H    PHE 129           H        PHE 129  -9.417  -0.537  -4.243
 1019    HA   PHE 129           HA       PHE 129 -10.682  -2.568  -5.652
 1020   1HB   PHE 129          2HB       PHE 129 -11.879  -1.011  -4.206
 1021   2HB   PHE 129          1HB       PHE 129 -11.494   0.337  -5.264
 1022    HD1  PHE 129           1HD      PHE 129 -13.130   1.056  -6.706
 1023    HD2  PHE 129           2HD      PHE 129 -13.152  -3.000  -5.423
 1024    HE1  PHE 129           1HE      PHE 129 -15.233   0.684  -7.930
 1025    HE2  PHE 129           2HE      PHE 129 -15.254  -3.380  -6.644
 1026    HZ   PHE 129           HZ       PHE 129 -16.293  -1.513  -7.911
 1027    H    GLU 130           H        GLU 130  -8.712  -0.064  -6.869
 1028    HA   GLU 130           HA       GLU 130  -9.895  -0.222  -9.545
 1029   1HB   GLU 130          2HB       GLU 130  -9.618   2.036  -8.638
 1030   2HB   GLU 130          1HB       GLU 130  -7.898   1.747  -8.417
 1031   1HG   GLU 130          2HG       GLU 130  -7.632   1.499 -10.835
 1032   2HG   GLU 130          1HG       GLU 130  -9.355   1.805 -11.051
 1033    H    ILE 131           H        ILE 131  -6.912  -0.804  -7.753
 1034    HA   ILE 131           HA       ILE 131  -5.312  -1.273 -10.064
 1035    HB   ILE 131           HB       ILE 131  -3.586  -1.877  -8.620
 1036   1HG1  ILE 131          2HG1      ILE 131  -5.557  -2.470  -6.393
 1037   2HG1  ILE 131          1HG1      ILE 131  -4.888  -3.715  -7.441
 1038   1HG2  ILE 131          1HG2      ILE 131  -3.463   0.007  -7.399
 1039   2HG2  ILE 131          2HG2      ILE 131  -4.976  -0.313  -6.558
 1040   3HG2  ILE 131          3HG2      ILE 131  -4.999   0.381  -8.177
 1041   1HD1  ILE 131          1HD1      ILE 131  -3.210  -1.886  -5.759
 1042   2HD1  ILE 131          2HD1      ILE 131  -2.706  -3.343  -6.615
 1043   3HD1  ILE 131          3HD1      ILE 131  -3.785  -3.467  -5.228
 1044    H    ALA 132           H        ALA 132  -7.382  -3.192  -8.091
 1045    HA   ALA 132           HA       ALA 132  -7.942  -5.138  -9.912
 1046   1HB   ALA 132          1HB       ALA 132  -5.352  -5.610  -8.686
 1047   2HB   ALA 132          2HB       ALA 132  -6.097  -6.388 -10.080
 1048   3HB   ALA 132          3HB       ALA 132  -6.460  -6.961  -8.452
 1049    HA   PRO 133           HA       PRO 133 -10.307  -5.575  -6.047
 1050   1HB   PRO 133          2HB       PRO 133 -12.630  -4.686  -6.857
 1051   2HB   PRO 133          1HB       PRO 133 -11.264  -3.551  -6.742
 1052   1HG   PRO 133          2HG       PRO 133 -12.377  -4.931  -9.175
 1053   2HG   PRO 133          1HG       PRO 133 -11.933  -3.225  -8.971
 1054   1HD   PRO 133          2HD       PRO 133 -10.289  -5.195 -10.064
 1055   2HD   PRO 133          1HD       PRO 133  -9.731  -3.641  -9.412
 1056    H    GLU 134           H        GLU 134  -9.880  -7.443  -8.555
 1057    HA   GLU 134           HA       GLU 134 -12.323  -9.058  -8.256
 1058   1HB   GLU 134          2HB       GLU 134 -11.532 -10.277 -10.253
 1059   2HB   GLU 134          1HB       GLU 134 -11.718  -8.558 -10.571
 1060   1HG   GLU 134          2HG       GLU 134  -9.305  -8.251 -10.323
 1061   2HG   GLU 134          1HG       GLU 134  -9.123  -9.978 -10.012
 1062    H    LEU 135           H        LEU 135  -9.786  -8.602  -6.642
 1063    HA   LEU 135           HA       LEU 135  -8.427 -11.090  -6.482
 1064   1HB   LEU 135          2HB       LEU 135  -7.595  -8.774  -5.886
 1065   2HB   LEU 135          1HB       LEU 135  -8.571  -8.883  -4.441
 1066    HG   LEU 135           HG       LEU 135  -6.120  -9.370  -4.207
 1067   1HD1  LEU 135          1HD1      LEU 135  -6.526 -10.674  -2.387
 1068   2HD1  LEU 135          2HD1      LEU 135  -7.580 -11.773  -3.274
 1069   3HD1  LEU 135          3HD1      LEU 135  -8.183 -10.200  -2.755
 1070   1HD2  LEU 135          1HD2      LEU 135  -5.117 -11.044  -5.278
 1071   2HD2  LEU 135          2HD2      LEU 135  -6.543 -11.086  -6.315
 1072   3HD2  LEU 135          3HD2      LEU 135  -6.432 -12.165  -4.925
 1073    H    VAL 136           H        VAL 136  -8.673 -12.735  -5.013
 1074    HA   VAL 136           HA       VAL 136 -10.820 -12.508  -3.037
 1075    HB   VAL 136           HB       VAL 136 -11.890 -13.567  -4.925
 1076   1HG1  VAL 136          1HG1      VAL 136 -10.354 -14.514  -6.315
 1077   2HG1  VAL 136          2HG1      VAL 136 -10.898 -15.964  -5.471
 1078   3HG1  VAL 136          3HG1      VAL 136  -9.397 -15.174  -4.989
 1079   1HG2  VAL 136          1HG2      VAL 136 -12.518 -14.385  -2.729
 1080   2HG2  VAL 136          2HG2      VAL 136 -11.220 -15.579  -2.783
 1081   3HG2  VAL 136          3HG2      VAL 136 -12.573 -15.695  -3.908
 1082    H    PHE 137           H        PHE 137 -10.610 -13.924  -1.242
 1083    HA   PHE 137           HA       PHE 137  -7.865 -14.732  -0.745
 1084   1HB   PHE 137          2HB       PHE 137 -10.329 -14.574   0.995
 1085   2HB   PHE 137          1HB       PHE 137  -8.806 -15.245   1.570
 1086    HD1  PHE 137           1HD      PHE 137  -9.712 -12.239  -0.444
 1087    HD2  PHE 137           2HD      PHE 137  -7.765 -13.781   3.012
 1088    HE1  PHE 137           1HE      PHE 137  -8.955  -9.972   0.137
 1089    HE2  PHE 137           2HE      PHE 137  -7.008 -11.516   3.600
 1090    HZ   PHE 137           HZ       PHE 137  -7.589  -9.625   2.204
 1091    HA   PRO 138           HA       PRO 138  -8.024 -19.130  -1.166
 1092   1HB   PRO 138          2HB       PRO 138  -8.054 -19.403   1.813
 1093   2HB   PRO 138          1HB       PRO 138  -7.039 -20.225   0.621
 1094   1HG   PRO 138          2HG       PRO 138  -6.068 -18.218   2.078
 1095   2HG   PRO 138          1HG       PRO 138  -5.626 -18.405   0.371
 1096   1HD   PRO 138          2HD       PRO 138  -7.455 -16.439   1.648
 1097   2HD   PRO 138          1HD       PRO 138  -6.437 -16.267   0.205
 1098    H    ASP 139           H        ASP 139 -10.207 -17.504   0.948
 1099    HA   ASP 139           HA       ASP 139 -12.122 -19.697   1.010
 1100   1HB   ASP 139          2HB       ASP 139 -11.972 -16.998   2.334
 1101   2HB   ASP 139          1HB       ASP 139 -13.445 -17.957   2.369
 1102    H    GLY 140           H        GLY 140 -12.961 -16.299   0.748
 1103   1HA   GLY 140          2HA       GLY 140 -13.847 -16.499  -1.989
 1104   2HA   GLY 140          1HA       GLY 140 -15.162 -16.510  -0.825
 1105    H    GLU 141           H        GLU 141 -13.417 -14.704   0.933
 1106    HA   GLU 141           HA       GLU 141 -14.599 -12.288   0.468
 1107   1HB   GLU 141          2HB       GLU 141 -13.279 -12.930   2.483
 1108   2HB   GLU 141          1HB       GLU 141 -11.807 -12.692   1.550
 1109   1HG   GLU 141          2HG       GLU 141 -12.326 -10.346   1.275
 1110   2HG   GLU 141          1HG       GLU 141 -13.851 -10.567   2.132
 1111    H    MET 142           H        MET 142 -14.092 -10.408  -0.653
 1112    HA   MET 142           HA       MET 142 -11.784 -10.468  -2.459
 1113   1HB   MET 142          2HB       MET 142 -14.621  -9.887  -3.318
 1114   2HB   MET 142          1HB       MET 142 -13.200  -9.664  -4.328
 1115   1HG   MET 142          2HG       MET 142 -12.741 -12.077  -4.164
 1116   2HG   MET 142          1HG       MET 142 -14.216 -12.271  -3.218
 1117   1HE   MET 142          1HE       MET 142 -16.997 -11.348  -5.788
 1118   2HE   MET 142          2HE       MET 142 -16.163 -10.123  -4.830
 1119   3HE   MET 142          3HE       MET 142 -16.593 -11.670  -4.101
 1120    H    LEU 143           H        LEU 143 -11.469  -8.252  -3.548
 1121    HA   LEU 143           HA       LEU 143 -11.398  -6.261  -1.553
 1122   1HB   LEU 143          2HB       LEU 143  -9.853  -6.598  -3.533
 1123   2HB   LEU 143          1HB       LEU 143 -11.120  -5.925  -4.534
 1124    HG   LEU 143           HG       LEU 143 -10.946  -3.793  -3.413
 1125   1HD1  LEU 143          1HD1      LEU 143 -10.347  -3.877  -1.248
 1126   2HD1  LEU 143          2HD1      LEU 143  -8.696  -3.841  -1.866
 1127   3HD1  LEU 143          3HD1      LEU 143  -9.452  -5.382  -1.455
 1128   1HD2  LEU 143          1HD2      LEU 143  -8.789  -5.109  -4.810
 1129   2HD2  LEU 143          2HD2      LEU 143  -8.196  -3.819  -3.766
 1130   3HD2  LEU 143          3HD2      LEU 143  -9.415  -3.472  -4.991
 1131    H    ARG 144           H        ARG 144 -13.683  -7.281  -3.877
 1132    HA   ARG 144           HA       ARG 144 -15.207  -4.815  -3.887
 1133   1HB   ARG 144          2HB       ARG 144 -15.143  -6.163  -5.919
 1134   2HB   ARG 144          1HB       ARG 144 -15.796  -7.547  -5.051
 1135   1HG   ARG 144          2HG       ARG 144 -17.489  -6.438  -6.421
 1136   2HG   ARG 144          1HG       ARG 144 -17.892  -6.371  -4.705
 1137   1HD   ARG 144          2HD       ARG 144 -17.084  -4.085  -4.583
 1138   2HD   ARG 144          1HD       ARG 144 -16.592  -4.147  -6.275
 1139    HE   ARG 144           HE       ARG 144 -19.163  -3.538  -5.307
 1140   1HH1  ARG 144          1HH1      ARG 144 -17.589  -5.339  -7.848
 1141   2HH1  ARG 144          2HH1      ARG 144 -18.930  -5.214  -8.936
 1142   1HH2  ARG 144          1HH2      ARG 144 -20.925  -3.373  -6.733
 1143   2HH2  ARG 144          2HH2      ARG 144 -20.826  -4.096  -8.303
 1144    H    GLN 145           H        GLN 145 -15.299  -7.995  -2.413
 1145    HA   GLN 145           HA       GLN 145 -17.878  -7.765  -1.255
 1146   1HB   GLN 145          2HB       GLN 145 -16.905  -9.945  -1.544
 1147   2HB   GLN 145          1HB       GLN 145 -15.502  -9.507  -0.582
 1148   1HG   GLN 145          2HG       GLN 145 -18.238  -9.469   0.622
 1149   2HG   GLN 145          1HG       GLN 145 -17.356 -10.985   0.446
 1150   1HE2  GLN 145          1HE2      GLN 145 -14.947  -8.906   0.809
 1151   2HE2  GLN 145          2HE2      GLN 145 -14.780  -8.885   2.527
 1152    H    ILE 146           H        ILE 146 -14.628  -6.952  -0.150
 1153    HA   ILE 146           HA       ILE 146 -15.324  -6.378   2.530
 1154    HB   ILE 146           HB       ILE 146 -13.038  -5.230   0.919
 1155   1HG1  ILE 146          2HG1      ILE 146 -13.112  -7.644   2.748
 1156   2HG1  ILE 146          1HG1      ILE 146 -13.058  -7.710   0.989
 1157   1HG2  ILE 146          1HG2      ILE 146 -13.340  -5.491   3.907
 1158   2HG2  ILE 146          2HG2      ILE 146 -13.604  -4.002   3.000
 1159   3HG2  ILE 146          3HG2      ILE 146 -12.003  -4.741   3.035
 1160   1HD1  ILE 146          1HD1      ILE 146 -10.931  -6.660   2.836
 1161   2HD1  ILE 146          2HD1      ILE 146 -10.879  -6.513   1.080
 1162   3HD1  ILE 146          3HD1      ILE 146 -10.866  -8.108   1.832
 1163    H    LEU 147           H        LEU 147 -15.293  -4.452  -0.418
 1164    HA   LEU 147           HA       LEU 147 -15.849  -1.981   0.929
 1165   1HB   LEU 147          2HB       LEU 147 -15.874  -2.843  -1.947
 1166   2HB   LEU 147          1HB       LEU 147 -16.472  -1.265  -1.472
 1167    HG   LEU 147           HG       LEU 147 -13.672  -2.271  -0.958
 1168   1HD1  LEU 147          1HD1      LEU 147 -12.940  -1.056  -2.790
 1169   2HD1  LEU 147          2HD1      LEU 147 -14.415  -0.091  -2.868
 1170   3HD1  LEU 147          3HD1      LEU 147 -14.437  -1.779  -3.379
 1171   1HD2  LEU 147          1HD2      LEU 147 -14.972   0.416  -0.535
 1172   2HD2  LEU 147          2HD2      LEU 147 -13.242   0.106  -0.411
 1173   3HD2  LEU 147          3HD2      LEU 147 -14.360  -0.671   0.709
 1174    H    HIS 148           H        HIS 148 -17.695  -4.672  -0.084
 1175    HA   HIS 148           HA       HIS 148 -20.187  -3.348  -0.495
 1176   1HB   HIS 148          2HB       HIS 148 -19.584  -5.652  -1.343
 1177   2HB   HIS 148          1HB       HIS 148 -19.753  -6.232   0.309
 1178    HD1  HIS 148           1HD      HIS 148 -21.584  -7.709  -1.233
 1179    HD2  HIS 148           2HD      HIS 148 -22.553  -3.810  -0.175
 1180    HE1  HIS 148           1HE      HIS 148 -24.080  -7.547  -1.479
 1181    HE2  HIS 148           2HE      HIS 148 -24.652  -5.196  -0.779
 1182    H    THR 149           H        THR 149 -18.512  -4.706   2.258
 1183    HA   THR 149           HA       THR 149 -20.794  -4.224   4.017
 1184    HB   THR 149           HB       THR 149 -18.078  -5.438   4.568
 1185    HG1  THR 149           1HG      THR 149 -19.884  -7.214   4.943
 1186   1HG2  THR 149          1HG2      THR 149 -19.252  -6.331   6.623
 1187   2HG2  THR 149          2HG2      THR 149 -20.461  -5.077   6.347
 1188   3HG2  THR 149          3HG2      THR 149 -18.783  -4.633   6.650
 1189    H    ARG 150           H        ARG 150 -17.456  -3.169   3.525
 1190    HA   ARG 150           HA       ARG 150 -17.520  -1.254   5.661
 1191   1HB   ARG 150          2HB       ARG 150 -15.582  -1.591   3.364
 1192   2HB   ARG 150          1HB       ARG 150 -15.347  -0.507   4.726
 1193   1HG   ARG 150          2HG       ARG 150 -15.636  -3.490   4.983
 1194   2HG   ARG 150          1HG       ARG 150 -14.091  -2.648   4.870
 1195   1HD   ARG 150          2HD       ARG 150 -14.523  -3.055   7.178
 1196   2HD   ARG 150          1HD       ARG 150 -14.752  -1.331   6.889
 1197    HE   ARG 150           HE       ARG 150 -17.225  -2.633   6.631
 1198   1HH1  ARG 150          1HH1      ARG 150 -14.877  -1.812   9.069
 1199   2HH1  ARG 150          2HH1      ARG 150 -16.043  -1.728  10.348
 1200   1HH2  ARG 150          1HH2      ARG 150 -18.766  -2.523   8.308
 1201   2HH2  ARG 150          2HH2      ARG 150 -18.252  -2.133   9.915
 1202    H    ALA 151           H        ALA 151 -17.244  -0.904   2.124
 1203    HA   ALA 151           HA       ALA 151 -17.972   0.690   0.679
 1204   1HB   ALA 151          1HB       ALA 151 -19.836   2.128   2.337
 1205   2HB   ALA 151          2HB       ALA 151 -20.057   0.388   2.508
 1206   3HB   ALA 151          3HB       ALA 151 -20.136   1.133   0.914
 1207    H    PHE 152           H        PHE 152 -15.670   1.390   1.481
 1208    HA   PHE 152           HA       PHE 152 -15.836   4.094   2.596
 1209   1HB   PHE 152          2HB       PHE 152 -13.583   2.090   2.528
 1210   2HB   PHE 152          1HB       PHE 152 -13.321   3.785   2.920
 1211    HD1  PHE 152           1HD      PHE 152 -12.713   3.741   5.179
 1212    HD2  PHE 152           2HD      PHE 152 -16.150   1.587   3.897
 1213    HE1  PHE 152           1HE      PHE 152 -13.293   3.278   7.524
 1214    HE2  PHE 152           2HE      PHE 152 -16.736   1.121   6.239
 1215    HZ   PHE 152           HZ       PHE 152 -15.271   1.980   8.069
 1216    H    ASP 153           H        ASP 153 -16.661   4.400   0.253
 1217    HA   ASP 153           HA       ASP 153 -14.714   4.533  -1.845
 1218   1HB   ASP 153          2HB       ASP 153 -16.463   5.558  -3.142
 1219   2HB   ASP 153          1HB       ASP 153 -17.201   4.291  -2.168
 1220    H    LYS 154           H        LYS 154 -14.542   5.959   0.829
 1221    HA   LYS 154           HA       LYS 154 -14.628   8.712   0.613
 1222   1HB   LYS 154          2HB       LYS 154 -12.683   7.053   2.216
 1223   2HB   LYS 154          1HB       LYS 154 -13.273   8.669   2.606
 1224   1HG   LYS 154          2HG       LYS 154 -15.592   7.609   2.715
 1225   2HG   LYS 154          1HG       LYS 154 -14.751   6.063   2.699
 1226   1HD   LYS 154          2HD       LYS 154 -14.286   8.252   4.719
 1227   2HD   LYS 154          1HD       LYS 154 -15.276   6.816   4.987
 1228   1HE   LYS 154          2HE       LYS 154 -13.322   5.392   4.653
 1229   2HE   LYS 154          1HE       LYS 154 -12.328   6.813   4.332
 1230   1HZ   LYS 154          1HZ       LYS 154 -13.227   7.510   6.675
 1231   2HZ   LYS 154          2HZ       LYS 154 -11.891   6.483   6.528
 1232   3HZ   LYS 154          3HZ       LYS 154 -13.419   5.839   6.870
 1233    H    LEU 155           H        LEU 155 -11.796   9.003   1.613
 1234    HA   LEU 155           HA       LEU 155  -9.792   9.739   0.873
 1235   1HB   LEU 155          2HB       LEU 155 -10.214   7.813  -1.404
 1236   2HB   LEU 155          1HB       LEU 155  -8.690   8.515  -0.908
 1237    HG   LEU 155           HG       LEU 155  -9.012   7.274   1.307
 1238   1HD1  LEU 155          1HD1      LEU 155 -11.107   6.484   1.525
 1239   2HD1  LEU 155          2HD1      LEU 155 -10.427   5.105   0.663
 1240   3HD1  LEU 155          3HD1      LEU 155 -11.348   6.325  -0.214
 1241   1HD2  LEU 155          1HD2      LEU 155  -7.415   6.646  -0.427
 1242   2HD2  LEU 155          2HD2      LEU 155  -8.669   5.706  -1.235
 1243   3HD2  LEU 155          3HD2      LEU 155  -8.107   5.232   0.367
 1244    H    ASN 156           H        ASN 156 -11.185  11.746   0.374
 1245    HA   ASN 156           HA       ASN 156 -11.924  12.374  -2.255
 1246   1HB   ASN 156          2HB       ASN 156 -11.715  14.767  -1.527
 1247   2HB   ASN 156          1HB       ASN 156 -12.705  13.773  -0.471
 1248   1HD2  ASN 156          1HD2      ASN 156  -9.584  12.871   0.106
 1249   2HD2  ASN 156          2HD2      ASN 156  -9.233  13.917   1.431
 1250    H    LYS 157           H        LYS 157 -10.745  12.698  -4.049
 1251    HA   LYS 157           HA       LYS 157  -8.121  12.208  -4.346
 1252   1HB   LYS 157          2HB       LYS 157  -9.841  14.160  -5.855
 1253   2HB   LYS 157          1HB       LYS 157  -8.242  13.678  -6.389
 1254   1HG   LYS 157          2HG       LYS 157 -10.459  12.519  -7.225
 1255   2HG   LYS 157          1HG       LYS 157  -8.941  11.649  -7.104
 1256   1HD   LYS 157          2HD       LYS 157  -9.656  10.697  -4.996
 1257   2HD   LYS 157          1HD       LYS 157 -11.118  11.685  -5.011
 1258   1HE   LYS 157          2HE       LYS 157 -11.859  10.548  -7.050
 1259   2HE   LYS 157          1HE       LYS 157 -10.405   9.552  -7.021
 1260   1HZ   LYS 157          1HZ       LYS 157 -12.836   9.117  -5.700
 1261   2HZ   LYS 157          2HZ       LYS 157 -11.644   9.354  -4.524
 1262   3HZ   LYS 157          3HZ       LYS 157 -11.451   8.146  -5.693
 1263    H    TRP 158           H        TRP 158  -6.211  13.329  -4.497
 1264    HA   TRP 158           HA       TRP 158  -5.450  15.069  -2.571
 1265   1HB   TRP 158          2HB       TRP 158  -3.768  14.053  -3.858
 1266   2HB   TRP 158          1HB       TRP 158  -4.434  14.649  -5.367
 1267    HD1  TRP 158           HD       TRP 158  -3.756  17.112  -6.120
 1268    HE1  TRP 158           1HE      TRP 158  -1.882  18.701  -5.351
 1269    HE3  TRP 158           3HE      TRP 158  -2.433  14.763  -1.778
 1270    HZ2  TRP 158           2HZ      TRP 158  -0.076  18.922  -3.197
 1271    HZ3  TRP 158           3HZ      TRP 158  -0.617  15.725  -0.426
 1272    HH2  TRP 158           HH       TRP 158   0.537  17.759  -1.123
  Start of MODEL   16
    1   1H    THR   1          1HT       THR   1   0.077 -12.810  -9.595
    2   2H    THR   1          2HT       THR   1  -0.544 -14.111  -8.707
    3   3H    THR   1          3HT       THR   1   1.085 -14.100  -9.164
    4    HA   THR   1           HA       THR   1  -0.169 -12.941  -6.884
    5    HB   THR   1           HB       THR   1   2.710 -13.341  -7.734
    6    HG1  THR   1           1HG      THR   1   2.454 -15.325  -7.123
    7   1HG2  THR   1          1HG2      THR   1   1.521 -12.366  -5.218
    8   2HG2  THR   1          2HG2      THR   1   3.106 -12.058  -5.925
    9   3HG2  THR   1          3HG2      THR   1   2.796 -13.575  -5.079
   10    H    VAL   2           H        VAL   2  -0.563 -10.875  -6.483
   11    HA   VAL   2           HA       VAL   2   1.059  -8.829  -7.846
   12    HB   VAL   2           HB       VAL   2  -1.906  -8.670  -7.301
   13   1HG1  VAL   2          1HG1      VAL   2  -1.670  -6.555  -8.682
   14   2HG1  VAL   2          2HG1      VAL   2   0.065  -6.684  -8.392
   15   3HG1  VAL   2          3HG1      VAL   2  -1.046  -6.496  -7.035
   16   1HG2  VAL   2          1HG2      VAL   2  -1.006 -10.101  -9.255
   17   2HG2  VAL   2          2HG2      VAL   2  -0.626  -8.547  -9.996
   18   3HG2  VAL   2          3HG2      VAL   2  -2.290  -8.933  -9.565
   19    H    ALA   3           H        ALA   3   1.566  -6.986  -6.681
   20    HA   ALA   3           HA       ALA   3   1.269  -7.255  -3.790
   21   1HB   ALA   3          1HB       ALA   3   3.440  -6.729  -3.997
   22   2HB   ALA   3          2HB       ALA   3   2.851  -5.074  -4.141
   23   3HB   ALA   3          3HB       ALA   3   3.217  -6.007  -5.591
   24    H    TYR   4           H        TYR   4  -0.717  -6.508  -3.235
   25    HA   TYR   4           HA       TYR   4  -1.809  -4.058  -4.324
   26   1HB   TYR   4          2HB       TYR   4  -2.735  -5.927  -2.135
   27   2HB   TYR   4          1HB       TYR   4  -3.613  -4.486  -2.618
   28    HD1  TYR   4           1HD      TYR   4  -1.836  -6.656  -4.995
   29    HD2  TYR   4           2HD      TYR   4  -5.615  -5.622  -3.346
   30    HE1  TYR   4           1HE      TYR   4  -2.952  -7.943  -6.758
   31    HE2  TYR   4           2HE      TYR   4  -6.738  -6.912  -5.109
   32    HH   TYR   4           HH       TYR   4  -6.492  -8.216  -6.874
   33    H    ILE   5           H        ILE   5   0.050  -2.763  -3.699
   34    HA   ILE   5           HA       ILE   5   0.590  -2.319  -0.900
   35    HB   ILE   5           HB       ILE   5   1.685  -0.819  -3.273
   36   1HG1  ILE   5          2HG1      ILE   5   2.074  -3.223  -3.531
   37   2HG1  ILE   5          1HG1      ILE   5   3.578  -2.375  -3.191
   38   1HG2  ILE   5          1HG2      ILE   5   2.386   0.445  -1.524
   39   2HG2  ILE   5          2HG2      ILE   5   3.658  -0.778  -1.493
   40   3HG2  ILE   5          3HG2      ILE   5   2.297  -0.893  -0.376
   41   1HD1  ILE   5          1HD1      ILE   5   3.531  -3.132  -0.905
   42   2HD1  ILE   5          2HD1      ILE   5   3.372  -4.510  -1.992
   43   3HD1  ILE   5          3HD1      ILE   5   1.955  -3.881  -1.153
   44    H    ALA   6           H        ALA   6   0.650  -0.246   0.087
   45    HA   ALA   6           HA       ALA   6  -1.212   1.767  -0.971
   46   1HB   ALA   6          1HB       ALA   6  -1.602   0.140   1.368
   47   2HB   ALA   6          2HB       ALA   6  -2.678   1.344   0.656
   48   3HB   ALA   6          3HB       ALA   6  -1.455   1.836   1.828
   49    H    ILE   7           H        ILE   7   0.195   3.376  -1.414
   50    HA   ILE   7           HA       ILE   7   2.400   3.922   0.435
   51    HB   ILE   7           HB       ILE   7   1.886   5.103  -2.295
   52   1HG1  ILE   7          2HG1      ILE   7   3.735   2.839  -1.517
   53   2HG1  ILE   7          1HG1      ILE   7   2.182   2.627  -2.315
   54   1HG2  ILE   7          1HG2      ILE   7   3.392   6.562  -1.401
   55   2HG2  ILE   7          2HG2      ILE   7   4.508   5.332  -1.989
   56   3HG2  ILE   7          3HG2      ILE   7   4.056   5.369  -0.286
   57   1HD1  ILE   7          1HD1      ILE   7   4.611   2.876  -3.551
   58   2HD1  ILE   7          2HD1      ILE   7   3.924   4.495  -3.703
   59   3HD1  ILE   7          3HD1      ILE   7   3.034   3.096  -4.313
   60    H    GLY   8           H        GLY   8   2.932   6.094   1.078
   61   1HA   GLY   8          2HA       GLY   8   0.898   8.152   0.796
   62   2HA   GLY   8          1HA       GLY   8   1.121   7.534   2.428
   63    H    SER   9           H        SER   9   1.612  10.242   1.570
   64    HA   SER   9           HA       SER   9   4.227  10.547   2.666
   65   1HB   SER   9          2HB       SER   9   5.008  10.070   0.467
   66   2HB   SER   9          1HB       SER   9   3.825  11.154  -0.259
   67    HG   SER   9           HG       SER   9   5.444  12.509  -0.155
   68    H    ASN  10           H        ASN  10   4.506  12.464   3.615
   69    HA   ASN  10           HA       ASN  10   2.859  14.733   2.847
   70   1HB   ASN  10          2HB       ASN  10   2.365  14.977   5.423
   71   2HB   ASN  10          1HB       ASN  10   1.344  13.974   4.400
   72   1HD2  ASN  10          1HD2      ASN  10   0.723  12.314   5.560
   73   2HD2  ASN  10          2HD2      ASN  10   1.753  11.298   6.509
   74    H    LEU  11           H        LEU  11   5.511  13.393   4.691
   75    HA   LEU  11           HA       LEU  11   6.559  16.102   5.145
   76   1HB   LEU  11          2HB       LEU  11   7.011  13.488   6.536
   77   2HB   LEU  11          1HB       LEU  11   8.224  14.750   6.634
   78    HG   LEU  11           HG       LEU  11   6.750  14.758   8.586
   79   1HD1  LEU  11          1HD1      LEU  11   7.363  16.902   8.535
   80   2HD1  LEU  11          2HD1      LEU  11   5.760  17.225   7.874
   81   3HD1  LEU  11          3HD1      LEU  11   7.135  17.013   6.790
   82   1HD2  LEU  11          1HD2      LEU  11   4.375  15.844   7.783
   83   2HD2  LEU  11          2HD2      LEU  11   4.632  14.154   8.222
   84   3HD2  LEU  11          3HD2      LEU  11   4.684  14.643   6.529
   85    H    ALA  12           H        ALA  12   6.671  14.807   2.570
   86    HA   ALA  12           HA       ALA  12   9.363  15.330   1.908
   87   1HB   ALA  12          1HB       ALA  12   8.989  12.509   1.253
   88   2HB   ALA  12          2HB       ALA  12   9.109  12.826   2.984
   89   3HB   ALA  12          3HB       ALA  12  10.399  13.347   1.901
   90    H    SER  13           H        SER  13   7.183  16.386   0.836
   91    HA   SER  13           HA       SER  13   5.966  16.744  -1.055
   92   1HB   SER  13          2HB       SER  13   7.203  16.441  -3.167
   93   2HB   SER  13          1HB       SER  13   8.219  17.167  -1.924
   94    HG   SER  13           HG       SER  13   9.462  15.589  -2.734
   95    HA   PRO  14           HA       PRO  14   3.983  12.599  -1.066
   96   1HB   PRO  14          2HB       PRO  14   1.566  13.728  -1.869
   97   2HB   PRO  14          1HB       PRO  14   2.042  13.384  -0.205
   98   1HG   PRO  14          2HG       PRO  14   2.131  15.954  -1.710
   99   2HG   PRO  14          1HG       PRO  14   1.759  15.662  -0.001
  100   1HD   PRO  14          2HD       PRO  14   4.133  16.643  -0.777
  101   2HD   PRO  14          1HD       PRO  14   3.993  15.517   0.590
  102    H    LEU  15           H        LEU  15   4.415  15.018  -3.479
  103    HA   LEU  15           HA       LEU  15   3.211  13.501  -5.614
  104   1HB   LEU  15          2HB       LEU  15   3.219  15.952  -5.642
  105   2HB   LEU  15          1HB       LEU  15   4.971  15.952  -5.689
  106    HG   LEU  15           HG       LEU  15   4.889  14.823  -7.895
  107   1HD1  LEU  15          1HD1      LEU  15   2.376  14.092  -7.252
  108   2HD1  LEU  15          2HD1      LEU  15   2.993  14.145  -8.903
  109   3HD1  LEU  15          3HD1      LEU  15   2.046  15.492  -8.272
  110   1HD2  LEU  15          1HD2      LEU  15   3.456  17.452  -7.582
  111   2HD2  LEU  15          2HD2      LEU  15   3.965  16.801  -9.139
  112   3HD2  LEU  15          3HD2      LEU  15   5.167  17.181  -7.907
  113    H    GLU  16           H        GLU  16   6.469  14.114  -4.406
  114    HA   GLU  16           HA       GLU  16   7.747  12.743  -6.580
  115   1HB   GLU  16          2HB       GLU  16   8.710  13.853  -3.960
  116   2HB   GLU  16          1HB       GLU  16   9.781  13.025  -5.087
  117   1HG   GLU  16          2HG       GLU  16   8.175  15.498  -5.690
  118   2HG   GLU  16          1HG       GLU  16   9.894  15.462  -5.302
  119    H    GLN  17           H        GLN  17   7.001  11.988  -3.193
  120    HA   GLN  17           HA       GLN  17   8.400   9.598  -2.977
  121   1HB   GLN  17          2HB       GLN  17   5.813  10.448  -1.685
  122   2HB   GLN  17          1HB       GLN  17   6.673   8.979  -1.251
  123   1HG   GLN  17          2HG       GLN  17   7.697  11.796  -0.984
  124   2HG   GLN  17          1HG       GLN  17   7.157  10.742   0.320
  125   1HE2  GLN  17          1HE2      GLN  17   9.763  12.067  -0.306
  126   2HE2  GLN  17          2HE2      GLN  17  10.930  10.794  -0.252
  127    H    VAL  18           H        VAL  18   5.546  10.283  -4.787
  128    HA   VAL  18           HA       VAL  18   4.778   7.483  -4.967
  129    HB   VAL  18           HB       VAL  18   3.577   9.904  -6.315
  130   1HG1  VAL  18          1HG1      VAL  18   3.264   7.631  -7.426
  131   2HG1  VAL  18          2HG1      VAL  18   1.806   8.542  -7.039
  132   3HG1  VAL  18          3HG1      VAL  18   2.304   7.199  -6.011
  133   1HG2  VAL  18          1HG2      VAL  18   2.502  10.310  -4.414
  134   2HG2  VAL  18          2HG2      VAL  18   3.430   9.029  -3.634
  135   3HG2  VAL  18          3HG2      VAL  18   1.878   8.662  -4.385
  136    H    ASN  19           H        ASN  19   6.151   9.999  -7.053
  137    HA   ASN  19           HA       ASN  19   6.042   8.663  -9.479
  138   1HB   ASN  19          2HB       ASN  19   8.152  10.570  -8.459
  139   2HB   ASN  19          1HB       ASN  19   8.024  10.042 -10.133
  140   1HD2  ASN  19          1HD2      ASN  19   7.508  12.592  -8.359
  141   2HD2  ASN  19          2HD2      ASN  19   6.077  13.239  -9.079
  142    H    ALA  20           H        ALA  20   8.751   8.647  -7.149
  143    HA   ALA  20           HA       ALA  20  10.166   6.640  -8.633
  144   1HB   ALA  20          1HB       ALA  20  11.770   7.747  -7.544
  145   2HB   ALA  20          2HB       ALA  20  11.375   6.690  -6.188
  146   3HB   ALA  20          3HB       ALA  20  10.666   8.302  -6.285
  147    H    ALA  21           H        ALA  21   7.744   6.574  -6.192
  148    HA   ALA  21           HA       ALA  21   8.381   4.093  -4.982
  149   1HB   ALA  21          1HB       ALA  21   5.822   5.646  -5.211
  150   2HB   ALA  21          2HB       ALA  21   6.885   5.476  -3.813
  151   3HB   ALA  21          3HB       ALA  21   5.923   4.104  -4.361
  152    H    LEU  22           H        LEU  22   6.144   4.934  -7.618
  153    HA   LEU  22           HA       LEU  22   5.603   2.145  -8.155
  154   1HB   LEU  22          2HB       LEU  22   4.191   3.052 -10.002
  155   2HB   LEU  22          1HB       LEU  22   3.758   3.622  -8.403
  156    HG   LEU  22           HG       LEU  22   5.104   5.721  -8.943
  157   1HD1  LEU  22          1HD1      LEU  22   6.397   5.119 -10.800
  158   2HD1  LEU  22          2HD1      LEU  22   5.145   6.179 -11.447
  159   3HD1  LEU  22          3HD1      LEU  22   5.013   4.431 -11.651
  160   1HD2  LEU  22          1HD2      LEU  22   2.508   5.208  -9.137
  161   2HD2  LEU  22          2HD2      LEU  22   2.832   5.546 -10.838
  162   3HD2  LEU  22          3HD2      LEU  22   3.199   6.759  -9.611
  163    H    LYS  23           H        LYS  23   7.867   4.483  -9.160
  164    HA   LYS  23           HA       LYS  23   8.383   3.325 -11.753
  165   1HB   LYS  23          2HB       LYS  23   8.725   5.726 -11.356
  166   2HB   LYS  23          1HB       LYS  23   9.959   5.355 -10.161
  167   1HG   LYS  23          2HG       LYS  23  11.010   6.004 -12.217
  168   2HG   LYS  23          1HG       LYS  23  11.309   4.288 -11.931
  169   1HD   LYS  23          2HD       LYS  23  10.759   4.638 -14.260
  170   2HD   LYS  23          1HD       LYS  23   9.456   3.744 -13.477
  171   1HE   LYS  23          2HE       LYS  23   8.584   5.486 -14.957
  172   2HE   LYS  23          1HE       LYS  23   8.154   5.795 -13.275
  173   1HZ   LYS  23          1HZ       LYS  23  10.617   7.014 -14.230
  174   2HZ   LYS  23          2HZ       LYS  23   9.437   7.633 -13.191
  175   3HZ   LYS  23          3HZ       LYS  23   9.179   7.643 -14.863
  176    H    ALA  24           H        ALA  24   9.739   3.148  -8.525
  177    HA   ALA  24           HA       ALA  24  12.119   1.773  -9.247
  178   1HB   ALA  24          1HB       ALA  24  10.672   2.133  -6.639
  179   2HB   ALA  24          2HB       ALA  24  12.162   2.901  -7.186
  180   3HB   ALA  24          3HB       ALA  24  12.154   1.186  -6.773
  181    H    LEU  25           H        LEU  25   8.849   0.768  -8.743
  182    HA   LEU  25           HA       LEU  25   9.419  -1.975  -8.169
  183   1HB   LEU  25          2HB       LEU  25   6.900  -0.668  -9.207
  184   2HB   LEU  25          1HB       LEU  25   7.015  -2.328  -8.650
  185    HG   LEU  25           HG       LEU  25   7.476   0.122  -6.942
  186   1HD1  LEU  25          1HD1      LEU  25   5.129  -1.703  -7.322
  187   2HD1  LEU  25          2HD1      LEU  25   5.178   0.061  -7.306
  188   3HD1  LEU  25          3HD1      LEU  25   5.382  -0.840  -5.804
  189   1HD2  LEU  25          1HD2      LEU  25   8.062  -2.707  -6.572
  190   2HD2  LEU  25          2HD2      LEU  25   7.055  -2.031  -5.291
  191   3HD2  LEU  25          3HD2      LEU  25   8.620  -1.304  -5.661
  192    H    GLY  26           H        GLY  26   9.216  -0.075 -11.045
  193   1HA   GLY  26          2HA       GLY  26   8.721  -2.240 -12.852
  194   2HA   GLY  26          1HA       GLY  26   9.280  -0.632 -13.284
  195    H    ASP  27           H        ASP  27  11.435  -1.266 -11.088
  196    HA   ASP  27           HA       ASP  27  13.273  -2.600 -12.961
  197   1HB   ASP  27          2HB       ASP  27  13.829  -0.259 -12.282
  198   2HB   ASP  27          1HB       ASP  27  13.950  -0.808 -10.615
  199    H    ILE  28           H        ILE  28  11.903  -2.668  -9.772
  200    HA   ILE  28           HA       ILE  28  13.565  -4.283  -8.321
  201    HB   ILE  28           HB       ILE  28  10.573  -4.102  -8.434
  202   1HG1  ILE  28          2HG1      ILE  28  11.817  -2.247  -7.423
  203   2HG1  ILE  28          1HG1      ILE  28  10.868  -3.091  -6.205
  204   1HG2  ILE  28          1HG2      ILE  28  10.218  -5.675  -6.776
  205   2HG2  ILE  28          2HG2      ILE  28  11.914  -5.697  -6.291
  206   3HG2  ILE  28          3HG2      ILE  28  11.418  -6.459  -7.802
  207   1HD1  ILE  28          1HD1      ILE  28  13.476  -2.405  -5.950
  208   2HD1  ILE  28          2HD1      ILE  28  13.607  -4.077  -6.494
  209   3HD1  ILE  28          3HD1      ILE  28  12.678  -3.690  -5.045
  210    HA   PRO  29           HA       PRO  29  13.794  -8.170 -10.439
  211   1HB   PRO  29          2HB       PRO  29  14.390  -9.817  -8.371
  212   2HB   PRO  29          1HB       PRO  29  15.560  -8.677  -9.046
  213   1HG   PRO  29          2HG       PRO  29  13.840  -8.403  -6.608
  214   2HG   PRO  29          1HG       PRO  29  15.560  -8.013  -6.813
  215   1HD   PRO  29          2HD       PRO  29  13.634  -6.117  -6.892
  216   2HD   PRO  29          1HD       PRO  29  15.104  -6.017  -7.877
  217    H    GLU  30           H        GLU  30  12.346  -9.635 -11.081
  218    HA   GLU  30           HA       GLU  30  10.411 -10.816 -11.223
  219   1HB   GLU  30          2HB       GLU  30  11.044 -11.215  -8.301
  220   2HB   GLU  30          1HB       GLU  30   9.751 -12.065  -9.138
  221   1HG   GLU  30          2HG       GLU  30  11.515 -13.567  -9.173
  222   2HG   GLU  30          1HG       GLU  30  11.550 -12.816 -10.766
  223    H    SER  31           H        SER  31   9.920  -8.199 -11.186
  224    HA   SER  31           HA       SER  31   7.280  -8.080 -10.016
  225   1HB   SER  31          2HB       SER  31   9.396  -6.069  -9.206
  226   2HB   SER  31          1HB       SER  31   7.676  -5.935  -8.840
  227    HG   SER  31           HG       SER  31   9.612  -7.608  -7.746
  228    H    HIS  32           H        HIS  32   5.921  -6.655 -11.075
  229    HA   HIS  32           HA       HIS  32   6.941  -4.671 -12.894
  230   1HB   HIS  32          2HB       HIS  32   7.204  -6.865 -14.115
  231   2HB   HIS  32          1HB       HIS  32   5.452  -7.006 -14.093
  232    HD1  HIS  32           1HD      HIS  32   6.248  -7.024 -16.812
  233    HD2  HIS  32           2HD      HIS  32   6.085  -3.404 -14.778
  234    HE1  HIS  32           1HE      HIS  32   6.090  -5.257 -18.594
  235    HE2  HIS  32           2HE      HIS  32   6.061  -3.071 -17.342
  236    H    ILE  33           H        ILE  33   5.582  -3.071 -12.332
  237    HA   ILE  33           HA       ILE  33   2.970  -3.424 -11.379
  238    HB   ILE  33           HB       ILE  33   4.455  -1.039 -12.430
  239   1HG1  ILE  33          2HG1      ILE  33   3.299  -1.787  -9.739
  240   2HG1  ILE  33          1HG1      ILE  33   4.992  -1.916 -10.208
  241   1HG2  ILE  33          1HG2      ILE  33   2.642   0.406 -12.118
  242   2HG2  ILE  33          2HG2      ILE  33   1.691  -0.816 -11.274
  243   3HG2  ILE  33          3HG2      ILE  33   1.959  -0.951 -13.012
  244   1HD1  ILE  33          1HD1      ILE  33   3.573   0.717 -10.298
  245   2HD1  ILE  33          2HD1      ILE  33   5.301   0.385 -10.181
  246   3HD1  ILE  33          3HD1      ILE  33   4.249   0.093  -8.794
  247    H    LEU  34           H        LEU  34   1.000  -3.406 -12.288
  248    HA   LEU  34           HA       LEU  34   0.894  -3.511 -15.223
  249   1HB   LEU  34          2HB       LEU  34   0.200  -5.556 -14.081
  250   2HB   LEU  34          1HB       LEU  34  -0.985  -4.654 -13.154
  251    HG   LEU  34           HG       LEU  34  -2.184  -4.126 -15.263
  252   1HD1  LEU  34          1HD1      LEU  34  -0.951  -6.218 -16.836
  253   2HD1  LEU  34          2HD1      LEU  34   0.178  -4.911 -16.474
  254   3HD1  LEU  34          3HD1      LEU  34  -1.352  -4.558 -17.277
  255   1HD2  LEU  34          1HD2      LEU  34  -3.316  -6.147 -15.347
  256   2HD2  LEU  34          2HD2      LEU  34  -2.554  -6.196 -13.758
  257   3HD2  LEU  34          3HD2      LEU  34  -1.849  -7.094 -15.103
  258    H    THR  35           H        THR  35  -1.215  -2.564 -12.494
  259    HA   THR  35           HA       THR  35  -2.134  -0.293 -14.136
  260    HB   THR  35           HB       THR  35  -4.327  -0.490 -13.025
  261    HG1  THR  35           1HG      THR  35  -3.481  -1.598 -11.143
  262   1HG2  THR  35          1HG2      THR  35  -4.755  -1.635 -14.885
  263   2HG2  THR  35          2HG2      THR  35  -4.655  -3.064 -13.855
  264   3HG2  THR  35          3HG2      THR  35  -3.249  -2.548 -14.787
  265    H    VAL  36           H        VAL  36  -2.667   1.642 -13.005
  266    HA   VAL  36           HA       VAL  36  -1.613   1.790 -10.260
  267    HB   VAL  36           HB       VAL  36  -1.125   3.822 -12.443
  268   1HG1  VAL  36          1HG1      VAL  36  -0.931   3.946  -9.530
  269   2HG1  VAL  36          2HG1      VAL  36  -0.980   5.246 -10.720
  270   3HG1  VAL  36          3HG1      VAL  36   0.544   4.436 -10.364
  271   1HG2  VAL  36          1HG2      VAL  36   0.334   2.041 -12.877
  272   2HG2  VAL  36          2HG2      VAL  36   0.624   1.745 -11.162
  273   3HG2  VAL  36          3HG2      VAL  36   1.298   3.180 -11.937
  274    H    SER  37           H        SER  37  -2.843   2.857  -8.842
  275    HA   SER  37           HA       SER  37  -5.449   3.741  -9.594
  276   1HB   SER  37          2HB       SER  37  -3.903   3.722  -7.010
  277   2HB   SER  37          1HB       SER  37  -5.490   4.484  -7.117
  278    HG   SER  37           HG       SER  37  -6.086   2.326  -8.097
  279    H    SER  38           H        SER  38  -6.049   5.973  -8.227
  280    HA   SER  38           HA       SER  38  -4.468   8.009  -9.631
  281   1HB   SER  38          2HB       SER  38  -7.230   8.184  -8.399
  282   2HB   SER  38          1HB       SER  38  -6.419   9.484  -9.273
  283    HG   SER  38           HG       SER  38  -7.303   8.619 -10.968
  284    H    PHE  39           H        PHE  39  -4.736  10.250  -8.334
  285    HA   PHE  39           HA       PHE  39  -3.393   9.746  -5.801
  286   1HB   PHE  39          2HB       PHE  39  -2.975  12.265  -5.902
  287   2HB   PHE  39          1HB       PHE  39  -2.183  11.277  -7.123
  288    HD1  PHE  39           1HD      PHE  39  -2.243  12.001  -9.291
  289    HD2  PHE  39           2HD      PHE  39  -5.351  13.209  -6.648
  290    HE1  PHE  39           1HE      PHE  39  -3.189  13.423 -11.061
  291    HE2  PHE  39           2HE      PHE  39  -6.306  14.629  -8.415
  292    HZ   PHE  39           HZ       PHE  39  -5.226  14.736 -10.625
  293    H    TYR  40           H        TYR  40  -4.207  10.242  -3.834
  294    HA   TYR  40           HA       TYR  40  -6.731  11.725  -3.736
  295   1HB   TYR  40          2HB       TYR  40  -6.265   9.072  -2.364
  296   2HB   TYR  40          1HB       TYR  40  -7.683  10.090  -2.153
  297    HD1  TYR  40           1HD      TYR  40  -5.804   8.086  -4.642
  298    HD2  TYR  40           2HD      TYR  40  -9.498   9.962  -3.658
  299    HE1  TYR  40           1HE      TYR  40  -6.882   6.955  -6.544
  300    HE2  TYR  40           2HE      TYR  40 -10.582   8.834  -5.554
  301    HH   TYR  40           HH       TYR  40 -10.016   6.532  -6.900
  302    H    ARG  41           H        ARG  41  -7.196  12.755  -1.827
  303    HA   ARG  41           HA       ARG  41  -4.887  13.314  -0.124
  304   1HB   ARG  41          2HB       ARG  41  -6.168  15.176  -1.203
  305   2HB   ARG  41          1HB       ARG  41  -7.573  14.706  -0.260
  306   1HG   ARG  41          2HG       ARG  41  -6.247  15.140   1.800
  307   2HG   ARG  41          1HG       ARG  41  -4.960  15.764   0.765
  308   1HD   ARG  41          2HD       ARG  41  -7.783  16.822   0.829
  309   2HD   ARG  41          1HD       ARG  41  -6.427  17.536   1.696
  310    HE   ARG  41           HE       ARG  41  -7.064  17.907  -1.034
  311   1HH1  ARG  41          1HH1      ARG  41  -4.345  17.530   1.114
  312   2HH1  ARG  41          2HH1      ARG  41  -3.253  18.400   0.089
  313   1HH2  ARG  41          1HH2      ARG  41  -5.631  19.060  -2.384
  314   2HH2  ARG  41          2HH2      ARG  41  -3.983  19.269  -1.897
  315    H    THR  42           H        THR  42  -4.795  12.633   1.968
  316    HA   THR  42           HA       THR  42  -7.206  11.977   3.423
  317    HB   THR  42           HB       THR  42  -7.015   9.919   2.281
  318    HG1  THR  42           1HG      THR  42  -5.736   8.768   4.271
  319   1HG2  THR  42          1HG2      THR  42  -4.805  10.075   1.364
  320   2HG2  THR  42          2HG2      THR  42  -4.970   8.564   2.258
  321   3HG2  THR  42          3HG2      THR  42  -4.092   9.918   2.969
  322    HA   PRO  43           HA       PRO  43  -4.498  12.969   6.783
  323   1HB   PRO  43          2HB       PRO  43  -6.314  12.067   8.755
  324   2HB   PRO  43          1HB       PRO  43  -6.203  13.690   8.078
  325   1HG   PRO  43          2HG       PRO  43  -8.342  11.919   7.752
  326   2HG   PRO  43          1HG       PRO  43  -8.044  13.376   6.793
  327   1HD   PRO  43          2HD       PRO  43  -7.438  10.524   6.152
  328   2HD   PRO  43          1HD       PRO  43  -7.949  11.841   5.073
  329    HA   PRO  44           HA       PRO  44  -2.402   9.094   7.677
  330   1HB   PRO  44          2HB       PRO  44  -0.907  10.791   9.578
  331   2HB   PRO  44          1HB       PRO  44  -0.312   9.789   8.250
  332   1HG   PRO  44          2HG       PRO  44  -0.335  12.449   8.053
  333   2HG   PRO  44          1HG       PRO  44  -0.720  11.425   6.658
  334   1HD   PRO  44          2HD       PRO  44  -2.567  12.931   8.472
  335   2HD   PRO  44          1HD       PRO  44  -2.627  12.745   6.706
  336    H    LEU  45           H        LEU  45  -1.796   7.850   9.640
  337    HA   LEU  45           HA       LEU  45  -3.427   8.502  11.990
  338   1HB   LEU  45          2HB       LEU  45  -4.625   6.908  10.436
  339   2HB   LEU  45          1HB       LEU  45  -3.345   5.754  10.742
  340    HG   LEU  45           HG       LEU  45  -5.049   6.892  12.954
  341   1HD1  LEU  45          1HD1      LEU  45  -6.720   5.482  12.512
  342   2HD1  LEU  45          2HD1      LEU  45  -5.618   4.158  12.138
  343   3HD1  LEU  45          3HD1      LEU  45  -6.021   5.347  10.899
  344   1HD2  LEU  45          1HD2      LEU  45  -3.248   4.483  12.730
  345   2HD2  LEU  45          2HD2      LEU  45  -4.330   4.793  14.088
  346   3HD2  LEU  45          3HD2      LEU  45  -3.008   5.908  13.741
  347    H    GLY  46           H        GLY  46  -1.799   8.854  13.407
  348   1HA   GLY  46          2HA       GLY  46  -0.549   7.226  14.976
  349   2HA   GLY  46          1HA       GLY  46   0.388   6.893  13.529
  350    HA   PRO  47           HA       PRO  47   2.686  10.412  15.146
  351   1HB   PRO  47          2HB       PRO  47   5.095   9.401  14.760
  352   2HB   PRO  47          1HB       PRO  47   4.009   8.700  15.963
  353   1HG   PRO  47          2HG       PRO  47   4.822   7.639  13.321
  354   2HG   PRO  47          1HG       PRO  47   4.293   6.767  14.769
  355   1HD   PRO  47          2HD       PRO  47   2.726   7.549  12.471
  356   2HD   PRO  47          1HD       PRO  47   2.213   6.604  13.887
  357    H    GLN  48           H        GLN  48   4.552  11.689  14.336
  358    HA   GLN  48           HA       GLN  48   5.950  12.523  12.640
  359   1HB   GLN  48          2HB       GLN  48   5.780  11.971  10.467
  360   2HB   GLN  48          1HB       GLN  48   4.657  10.754  11.046
  361   1HG   GLN  48          2HG       GLN  48   3.037  12.928  10.729
  362   2HG   GLN  48          1HG       GLN  48   4.173  13.107   9.403
  363   1HE2  GLN  48          1HE2      GLN  48   1.586  11.355  10.729
  364   2HE2  GLN  48          2HE2      GLN  48   1.358  10.253   9.436
  365    H    ASP  49           H        ASP  49   2.452  12.948  12.468
  366    HA   ASP  49           HA       ASP  49   2.010  15.318  13.556
  367   1HB   ASP  49          2HB       ASP  49   3.763  16.394  12.212
  368   2HB   ASP  49          1HB       ASP  49   2.943  15.899  10.731
  369    H    GLN  50           H        GLN  50   1.458  13.223  10.915
  370    HA   GLN  50           HA       GLN  50  -0.364  12.546   9.794
  371   1HB   GLN  50          2HB       GLN  50  -1.565  13.607  12.304
  372   2HB   GLN  50          1HB       GLN  50  -2.604  13.060  10.994
  373   1HG   GLN  50          2HG       GLN  50  -2.213  11.311  12.652
  374   2HG   GLN  50          1HG       GLN  50  -1.605  10.877  11.057
  375   1HE2  GLN  50          1HE2      GLN  50   0.075   9.627  11.366
  376   2HE2  GLN  50          2HE2      GLN  50   1.393   9.953  12.404
  377    HA   PRO  51           HA       PRO  51  -1.483  16.664   8.054
  378   1HB   PRO  51          2HB       PRO  51   0.631  16.958   6.308
  379   2HB   PRO  51          1HB       PRO  51   0.590  17.634   7.938
  380   1HG   PRO  51          2HG       PRO  51   2.295  15.571   6.943
  381   2HG   PRO  51          1HG       PRO  51   2.218  16.206   8.591
  382   1HD   PRO  51          2HD       PRO  51   0.952  13.787   7.422
  383   2HD   PRO  51          1HD       PRO  51   1.483  14.089   9.095
  384    H    ASP  52           H        ASP  52  -2.447  16.945   6.026
  385    HA   ASP  52           HA       ASP  52  -3.503  14.816   4.711
  386   1HB   ASP  52          2HB       ASP  52  -3.737  16.411   2.715
  387   2HB   ASP  52          1HB       ASP  52  -4.463  16.902   4.241
  388    H    TYR  53           H        TYR  53  -2.363  13.113   3.982
  389    HA   TYR  53           HA       TYR  53  -0.014  13.648   2.308
  390   1HB   TYR  53          2HB       TYR  53   0.780  11.476   2.805
  391   2HB   TYR  53          1HB       TYR  53   0.196  12.130   4.324
  392    HD1  TYR  53           1HD      TYR  53  -0.435   9.663   1.671
  393    HD2  TYR  53           2HD      TYR  53  -1.669  11.128   5.465
  394    HE1  TYR  53           1HE      TYR  53  -1.783   7.636   2.007
  395    HE2  TYR  53           2HE      TYR  53  -3.020   9.106   5.814
  396    HH   TYR  53           HH       TYR  53  -3.380   6.980   5.065
  397    H    LEU  54           H        LEU  54   0.254  11.619   0.682
  398    HA   LEU  54           HA       LEU  54  -2.229  11.648  -0.904
  399   1HB   LEU  54          2HB       LEU  54  -0.201  12.794  -1.844
  400   2HB   LEU  54          1HB       LEU  54   0.576  11.225  -1.918
  401    HG   LEU  54           HG       LEU  54  -1.275  10.460  -3.431
  402   1HD1  LEU  54          1HD1      LEU  54  -1.936  13.321  -3.917
  403   2HD1  LEU  54          2HD1      LEU  54  -2.730  12.466  -2.594
  404   3HD1  LEU  54          3HD1      LEU  54  -2.884  11.870  -4.246
  405   1HD2  LEU  54          1HD2      LEU  54   0.025  10.991  -5.166
  406   2HD2  LEU  54          2HD2      LEU  54   1.028  11.848  -3.994
  407   3HD2  LEU  54          3HD2      LEU  54  -0.197  12.723  -4.914
  408    H    ASN  55           H        ASN  55  -3.250   9.791  -1.210
  409    HA   ASN  55           HA       ASN  55  -1.779   7.286  -0.738
  410   1HB   ASN  55          2HB       ASN  55  -3.935   6.274  -0.172
  411   2HB   ASN  55          1HB       ASN  55  -3.618   7.676   0.845
  412   1HD2  ASN  55          1HD2      ASN  55  -5.854   6.155  -1.068
  413   2HD2  ASN  55          2HD2      ASN  55  -6.942   7.473  -1.317
  414    H    ALA  56           H        ALA  56  -1.988   5.586  -2.182
  415    HA   ALA  56           HA       ALA  56  -3.778   5.531  -4.358
  416   1HB   ALA  56          1HB       ALA  56  -1.110   6.787  -4.846
  417   2HB   ALA  56          2HB       ALA  56  -2.700   7.263  -5.444
  418   3HB   ALA  56          3HB       ALA  56  -1.890   5.850  -6.120
  419    H    ALA  57           H        ALA  57  -4.022   3.357  -4.093
  420    HA   ALA  57           HA       ALA  57  -1.861   1.581  -3.587
  421   1HB   ALA  57          1HB       ALA  57  -4.206   1.102  -2.976
  422   2HB   ALA  57          2HB       ALA  57  -3.474  -0.190  -3.929
  423   3HB   ALA  57          3HB       ALA  57  -4.596   0.939  -4.687
  424    H    VAL  58           H        VAL  58  -1.475  -0.356  -5.136
  425    HA   VAL  58           HA       VAL  58  -1.795   0.151  -7.931
  426    HB   VAL  58           HB       VAL  58  -0.018   1.707  -7.571
  427   1HG1  VAL  58          1HG1      VAL  58   1.738  -0.516  -6.574
  428   2HG1  VAL  58          2HG1      VAL  58   0.838   0.543  -5.491
  429   3HG1  VAL  58          3HG1      VAL  58   2.060   1.218  -6.568
  430   1HG2  VAL  58          1HG2      VAL  58   1.815   0.517  -8.976
  431   2HG2  VAL  58          2HG2      VAL  58   0.217   0.780  -9.675
  432   3HG2  VAL  58          3HG2      VAL  58   0.651  -0.807  -9.038
  433    H    ALA  59           H        ALA  59  -2.056  -1.748  -8.839
  434    HA   ALA  59           HA       ALA  59  -1.292  -4.154  -7.478
  435   1HB   ALA  59          1HB       ALA  59  -2.213  -5.164  -9.692
  436   2HB   ALA  59          2HB       ALA  59  -2.772  -3.517  -9.991
  437   3HB   ALA  59          3HB       ALA  59  -3.315  -4.388  -8.555
  438    H    LEU  60           H        LEU  60   0.842  -4.538  -7.433
  439    HA   LEU  60           HA       LEU  60   2.485  -4.204  -9.805
  440   1HB   LEU  60          2HB       LEU  60   3.476  -3.542  -7.719
  441   2HB   LEU  60          1HB       LEU  60   3.103  -5.091  -6.987
  442    HG   LEU  60           HG       LEU  60   4.716  -6.170  -8.596
  443   1HD1  LEU  60          1HD1      LEU  60   5.721  -5.035 -10.220
  444   2HD1  LEU  60          2HD1      LEU  60   6.140  -3.703  -9.143
  445   3HD1  LEU  60          3HD1      LEU  60   4.555  -3.749  -9.915
  446   1HD2  LEU  60          1HD2      LEU  60   5.408  -4.271  -6.438
  447   2HD2  LEU  60          2HD2      LEU  60   6.735  -4.811  -7.466
  448   3HD2  LEU  60          3HD2      LEU  60   5.756  -5.992  -6.598
  449    H    GLU  61           H        GLU  61   2.448  -5.774 -11.297
  450    HA   GLU  61           HA       GLU  61   1.692  -8.467 -10.646
  451   1HB   GLU  61          2HB       GLU  61   1.334  -7.260 -12.881
  452   2HB   GLU  61          1HB       GLU  61   3.042  -7.536 -13.181
  453   1HG   GLU  61          2HG       GLU  61   2.708  -9.941 -13.012
  454   2HG   GLU  61          1HG       GLU  61   0.993  -9.686 -12.697
  455    H    THR  62           H        THR  62   3.165  -9.116  -9.103
  456    HA   THR  62           HA       THR  62   5.962  -9.329  -9.992
  457    HB   THR  62           HB       THR  62   5.829  -7.871  -8.114
  458    HG1  THR  62           1HG      THR  62   6.506 -10.118  -6.672
  459   1HG2  THR  62          1HG2      THR  62   4.034  -8.012  -6.809
  460   2HG2  THR  62          2HG2      THR  62   4.946  -9.240  -5.928
  461   3HG2  THR  62          3HG2      THR  62   3.788  -9.721  -7.170
  462    H    SER  63           H        SER  63   7.069 -11.182  -9.742
  463    HA   SER  63           HA       SER  63   5.513 -13.562  -8.980
  464   1HB   SER  63          2HB       SER  63   7.902 -13.346 -10.842
  465   2HB   SER  63          1HB       SER  63   7.067 -14.841 -10.423
  466    HG   SER  63           HG       SER  63   5.834 -12.613 -11.673
  467    H    LEU  64           H        LEU  64   7.542 -11.430  -7.773
  468    HA   LEU  64           HA       LEU  64   9.661 -13.028  -6.716
  469   1HB   LEU  64          2HB       LEU  64   9.492 -10.450  -7.029
  470   2HB   LEU  64          1HB       LEU  64   8.666 -10.474  -5.490
  471    HG   LEU  64           HG       LEU  64  11.167  -9.942  -5.492
  472   1HD1  LEU  64          1HD1      LEU  64  11.353 -10.708  -3.335
  473   2HD1  LEU  64          2HD1      LEU  64  10.592 -12.255  -3.699
  474   3HD1  LEU  64          3HD1      LEU  64   9.608 -10.798  -3.565
  475   1HD2  LEU  64          1HD2      LEU  64  11.298 -12.363  -6.862
  476   2HD2  LEU  64          2HD2      LEU  64  11.917 -12.716  -5.249
  477   3HD2  LEU  64          3HD2      LEU  64  12.647 -11.431  -6.210
  478    H    ALA  65           H        ALA  65   9.912 -13.827  -4.596
  479    HA   ALA  65           HA       ALA  65   7.842 -15.181  -3.454
  480   1HB   ALA  65          1HB       ALA  65   9.531 -14.403  -1.315
  481   2HB   ALA  65          2HB       ALA  65  10.534 -14.590  -2.753
  482   3HB   ALA  65          3HB       ALA  65   9.520 -15.925  -2.205
  483    HA   PRO  66           HA       PRO  66   5.137 -12.067  -1.810
  484   1HB   PRO  66          2HB       PRO  66   4.322 -14.163   0.100
  485   2HB   PRO  66          1HB       PRO  66   3.357 -13.248  -1.052
  486   1HG   PRO  66          2HG       PRO  66   3.964 -15.844  -1.423
  487   2HG   PRO  66          1HG       PRO  66   3.772 -14.708  -2.773
  488   1HD   PRO  66          2HD       PRO  66   6.252 -15.853  -1.595
  489   2HD   PRO  66          1HD       PRO  66   5.908 -15.379  -3.270
  490    H    GLU  67           H        GLU  67   7.561 -13.721  -0.083
  491    HA   GLU  67           HA       GLU  67   7.107 -12.158   2.330
  492   1HB   GLU  67          2HB       GLU  67   9.175 -13.624   3.058
  493   2HB   GLU  67          1HB       GLU  67   7.534 -14.267   3.064
  494   1HG   GLU  67          2HG       GLU  67   7.897 -15.290   0.919
  495   2HG   GLU  67          1HG       GLU  67   9.510 -14.607   0.820
  496    H    GLU  68           H        GLU  68   9.405 -12.449  -0.319
  497    HA   GLU  68           HA       GLU  68  11.164 -10.514   0.970
  498   1HB   GLU  68          2HB       GLU  68  12.238 -12.355  -0.239
  499   2HB   GLU  68          1HB       GLU  68  11.435 -11.858  -1.724
  500   1HG   GLU  68          2HG       GLU  68  12.634  -9.746  -1.700
  501   2HG   GLU  68          1HG       GLU  68  13.394 -10.174  -0.167
  502    H    LEU  69           H        LEU  69   8.630 -10.705  -1.294
  503    HA   LEU  69           HA       LEU  69   9.054  -8.539  -2.936
  504   1HB   LEU  69          2HB       LEU  69   7.247  -9.963  -3.383
  505   2HB   LEU  69          1HB       LEU  69   6.538  -9.711  -1.808
  506    HG   LEU  69           HG       LEU  69   6.178  -7.290  -2.533
  507   1HD1  LEU  69          1HD1      LEU  69   7.452  -8.371  -4.891
  508   2HD1  LEU  69          2HD1      LEU  69   7.098  -6.696  -4.466
  509   3HD1  LEU  69          3HD1      LEU  69   5.870  -7.683  -5.259
  510   1HD2  LEU  69          1HD2      LEU  69   4.081  -7.807  -3.372
  511   2HD2  LEU  69          2HD2      LEU  69   4.517  -9.233  -2.430
  512   3HD2  LEU  69          3HD2      LEU  69   4.660  -9.258  -4.186
  513    H    LEU  70           H        LEU  70   7.058  -8.421   0.068
  514    HA   LEU  70           HA       LEU  70   6.922  -5.617   0.074
  515   1HB   LEU  70          2HB       LEU  70   5.574  -7.191   1.539
  516   2HB   LEU  70          1HB       LEU  70   6.993  -7.307   2.568
  517    HG   LEU  70           HG       LEU  70   6.903  -4.911   3.018
  518   1HD1  LEU  70          1HD1      LEU  70   5.269  -3.487   2.104
  519   2HD1  LEU  70          2HD1      LEU  70   4.391  -4.835   1.384
  520   3HD1  LEU  70          3HD1      LEU  70   5.970  -4.375   0.753
  521   1HD2  LEU  70          1HD2      LEU  70   4.926  -4.862   4.362
  522   2HD2  LEU  70          2HD2      LEU  70   5.575  -6.502   4.398
  523   3HD2  LEU  70          3HD2      LEU  70   4.175  -6.128   3.393
  524    H    ASN  71           H        ASN  71   9.144  -7.866   1.585
  525    HA   ASN  71           HA       ASN  71  10.814  -6.146   2.956
  526   1HB   ASN  71          2HB       ASN  71  11.502  -8.642   1.398
  527   2HB   ASN  71          1HB       ASN  71  12.622  -7.829   2.478
  528   1HD2  ASN  71          1HD2      ASN  71   9.602  -7.434   3.743
  529   2HD2  ASN  71          2HD2      ASN  71   9.574  -8.780   4.824
  530    H    HIS  72           H        HIS  72  10.640  -6.819  -0.471
  531    HA   HIS  72           HA       HIS  72  13.014  -5.363  -1.132
  532   1HB   HIS  72          2HB       HIS  72  12.737  -6.176  -3.249
  533   2HB   HIS  72          1HB       HIS  72  11.663  -7.302  -2.426
  534    HD1  HIS  72           1HD      HIS  72  11.000  -3.774  -3.735
  535    HD2  HIS  72           2HD      HIS  72   9.592  -7.678  -4.039
  536    HE1  HIS  72           1HE      HIS  72   8.993  -3.643  -5.240
  537    HE2  HIS  72           2HE      HIS  72   8.246  -6.031  -5.531
  538    H    THR  73           H        THR  73   9.532  -4.759  -1.192
  539    HA   THR  73           HA       THR  73   9.576  -2.217  -2.406
  540    HB   THR  73           HB       THR  73   7.371  -1.913  -1.512
  541    HG1  THR  73           1HG      THR  73   7.573  -2.409   0.608
  542   1HG2  THR  73          1HG2      THR  73   6.777  -4.653  -1.580
  543   2HG2  THR  73          2HG2      THR  73   8.077  -4.379  -2.739
  544   3HG2  THR  73          3HG2      THR  73   6.576  -3.459  -2.861
  545    H    GLN  74           H        GLN  74  10.336  -3.339   0.772
  546    HA   GLN  74           HA       GLN  74  10.164  -0.968   2.243
  547   1HB   GLN  74          2HB       GLN  74  12.024  -3.333   2.566
  548   2HB   GLN  74          1HB       GLN  74  11.802  -2.067   3.771
  549   1HG   GLN  74          2HG       GLN  74   9.618  -3.873   2.756
  550   2HG   GLN  74          1HG       GLN  74  10.534  -4.140   4.235
  551   1HE2  GLN  74          1HE2      GLN  74  10.324  -0.916   4.092
  552   2HE2  GLN  74          2HE2      GLN  74   8.858  -0.657   4.963
  553    H    ARG  75           H        ARG  75  12.508  -2.057  -0.069
  554    HA   ARG  75           HA       ARG  75  14.622  -0.331   0.738
  555   1HB   ARG  75          2HB       ARG  75  14.082  -2.006  -1.679
  556   2HB   ARG  75          1HB       ARG  75  15.373  -0.814  -1.727
  557   1HG   ARG  75          2HG       ARG  75  16.308  -2.922  -1.133
  558   2HG   ARG  75          1HG       ARG  75  16.356  -1.877   0.286
  559   1HD   ARG  75          2HD       ARG  75  14.327  -2.957   1.142
  560   2HD   ARG  75          1HD       ARG  75  14.302  -4.018  -0.266
  561    HE   ARG  75           HE       ARG  75  15.797  -4.407   2.081
  562   1HH1  ARG  75          1HH1      ARG  75  16.129  -4.649  -1.384
  563   2HH1  ARG  75          2HH1      ARG  75  17.341  -5.883  -1.308
  564   1HH2  ARG  75          1HH2      ARG  75  17.391  -6.030   2.184
  565   2HH2  ARG  75          2HH2      ARG  75  18.058  -6.669   0.720
  566    H    ILE  76           H        ILE  76  11.743   0.185  -1.096
  567    HA   ILE  76           HA       ILE  76  12.670   2.358  -2.671
  568    HB   ILE  76           HB       ILE  76   9.845   1.830  -1.711
  569   1HG1  ILE  76          2HG1      ILE  76  11.310   1.010  -4.237
  570   2HG1  ILE  76          1HG1      ILE  76  10.703  -0.062  -2.981
  571   1HG2  ILE  76          1HG2      ILE  76  11.022   4.002  -3.171
  572   2HG2  ILE  76          2HG2      ILE  76   9.354   3.786  -2.644
  573   3HG2  ILE  76          3HG2      ILE  76   9.878   3.138  -4.199
  574   1HD1  ILE  76          1HD1      ILE  76   9.149   1.514  -4.999
  575   2HD1  ILE  76          2HD1      ILE  76   8.396   0.821  -3.563
  576   3HD1  ILE  76          3HD1      ILE  76   9.178  -0.230  -4.744
  577    H    GLU  77           H        GLU  77  11.279   2.054   0.524
  578    HA   GLU  77           HA       GLU  77  10.897   4.760   1.119
  579   1HB   GLU  77          2HB       GLU  77  11.462   2.339   2.813
  580   2HB   GLU  77          1HB       GLU  77  11.240   3.922   3.523
  581   1HG   GLU  77          2HG       GLU  77   9.009   4.052   2.517
  582   2HG   GLU  77          1HG       GLU  77   9.240   2.442   1.843
  583    H    LEU  78           H        LEU  78  13.733   2.835   0.919
  584    HA   LEU  78           HA       LEU  78  15.402   4.704   2.378
  585   1HB   LEU  78          2HB       LEU  78  16.140   2.229   0.812
  586   2HB   LEU  78          1HB       LEU  78  17.226   3.152   1.832
  587    HG   LEU  78           HG       LEU  78  14.787   1.659   2.804
  588   1HD1  LEU  78          1HD1      LEU  78  16.055  -0.158   2.803
  589   2HD1  LEU  78          2HD1      LEU  78  17.168   0.645   3.910
  590   3HD1  LEU  78          3HD1      LEU  78  17.422   0.758   2.169
  591   1HD2  LEU  78          1HD2      LEU  78  14.976   3.068   4.533
  592   2HD2  LEU  78          2HD2      LEU  78  16.574   3.618   4.032
  593   3HD2  LEU  78          3HD2      LEU  78  16.407   2.126   4.956
  594    H    GLN  79           H        GLN  79  15.091   3.486  -0.938
  595    HA   GLN  79           HA       GLN  79  17.052   5.202  -2.045
  596   1HB   GLN  79          2HB       GLN  79  14.739   3.898  -3.472
  597   2HB   GLN  79          1HB       GLN  79  16.243   4.461  -4.188
  598   1HG   GLN  79          2HG       GLN  79  17.419   2.792  -2.702
  599   2HG   GLN  79          1HG       GLN  79  15.826   2.133  -2.349
  600   1HE2  GLN  79          1HE2      GLN  79  15.296   0.464  -3.524
  601   2HE2  GLN  79          2HE2      GLN  79  15.809   0.150  -5.141
  602    H    GLN  80           H        GLN  80  13.986   5.824  -0.855
  603    HA   GLN  80           HA       GLN  80  13.400   7.997  -2.688
  604   1HB   GLN  80          2HB       GLN  80  11.952   6.535  -0.548
  605   2HB   GLN  80          1HB       GLN  80  11.461   8.182  -0.867
  606   1HG   GLN  80          2HG       GLN  80  11.563   5.944  -2.873
  607   2HG   GLN  80          1HG       GLN  80  10.110   6.595  -2.115
  608   1HE2  GLN  80          1HE2      GLN  80   9.010   7.866  -3.408
  609   2HE2  GLN  80          2HE2      GLN  80   9.663   8.923  -4.609
  610    H    GLY  81           H        GLY  81  15.053   7.501   0.235
  611   1HA   GLY  81          2HA       GLY  81  16.279   9.064   1.434
  612   2HA   GLY  81          1HA       GLY  81  15.500  10.342   0.507
  613    H    ARG  82           H        ARG  82  13.992   7.752   2.382
  614    HA   ARG  82           HA       ARG  82  12.057   9.378   3.536
  615   1HB   ARG  82          2HB       ARG  82  11.511   7.559   4.951
  616   2HB   ARG  82          1HB       ARG  82  12.062   6.854   3.439
  617   1HG   ARG  82          2HG       ARG  82  14.310   6.544   4.524
  618   2HG   ARG  82          1HG       ARG  82  13.553   7.026   6.043
  619   1HD   ARG  82          2HD       ARG  82  11.891   5.200   5.721
  620   2HD   ARG  82          1HD       ARG  82  12.813   4.670   4.314
  621    HE   ARG  82           HE       ARG  82  14.555   4.828   6.499
  622   1HH1  ARG  82          1HH1      ARG  82  11.829   2.945   5.415
  623   2HH1  ARG  82          2HH1      ARG  82  12.309   1.520   6.273
  624   1HH2  ARG  82          1HH2      ARG  82  15.190   2.962   7.636
  625   2HH2  ARG  82          2HH2      ARG  82  14.220   1.529   7.537
  626    H    VAL  83           H        VAL  83  11.863   9.526   6.054
  627    HA   VAL  83           HA       VAL  83  14.428  10.533   7.078
  628    HB   VAL  83           HB       VAL  83  11.758  11.832   7.579
  629   1HG1  VAL  83          1HG1      VAL  83  13.583  12.166   9.255
  630   2HG1  VAL  83          2HG1      VAL  83  13.029  13.649   8.476
  631   3HG1  VAL  83          3HG1      VAL  83  14.546  12.903   7.973
  632   1HG2  VAL  83          1HG2      VAL  83  13.580  13.345   5.924
  633   2HG2  VAL  83          2HG2      VAL  83  11.897  12.909   5.630
  634   3HG2  VAL  83          3HG2      VAL  83  13.186  11.791   5.179
  635    H    ARG  84           H        ARG  84  14.863   8.839   8.343
  636    HA   ARG  84           HA       ARG  84  13.328   7.231   9.863
  637   1HB   ARG  84          2HB       ARG  84  15.336   7.036  11.389
  638   2HB   ARG  84          1HB       ARG  84  15.627   6.758   9.677
  639   1HG   ARG  84          2HG       ARG  84  16.396   9.141   9.518
  640   2HG   ARG  84          1HG       ARG  84  16.312   9.205  11.282
  641   1HD   ARG  84          2HD       ARG  84  17.971   7.272   9.667
  642   2HD   ARG  84          1HD       ARG  84  18.580   8.715  10.479
  643    HE   ARG  84           HE       ARG  84  18.174   6.198  11.657
  644   1HH1  ARG  84          1HH1      ARG  84  17.658   9.583  12.326
  645   2HH1  ARG  84          2HH1      ARG  84  17.743   9.386  14.044
  646   1HH2  ARG  84          1HH2      ARG  84  18.287   5.937  13.918
  647   2HH2  ARG  84          2HH2      ARG  84  18.100   7.317  14.946
  648    H    LYS  85           H        LYS  85  11.784   7.661  11.193
  649    HA   LYS  85           HA       LYS  85  12.250   9.285  13.552
  650   1HB   LYS  85          2HB       LYS  85   9.959   9.835  11.644
  651   2HB   LYS  85          1HB       LYS  85  10.102  10.513  13.261
  652   1HG   LYS  85          2HG       LYS  85  12.121  11.695  12.614
  653   2HG   LYS  85          1HG       LYS  85  12.047  10.973  11.005
  654   1HD   LYS  85          2HD       LYS  85  11.172  13.233  10.945
  655   2HD   LYS  85          1HD       LYS  85   9.876  12.074  10.633
  656   1HE   LYS  85          2HE       LYS  85   9.158  12.264  12.969
  657   2HE   LYS  85          1HE       LYS  85  10.444  13.432  13.268
  658   1HZ   LYS  85          1HZ       LYS  85   7.874  13.823  12.071
  659   2HZ   LYS  85          2HZ       LYS  85   9.122  14.442  11.112
  660   3HZ   LYS  85          3HZ       LYS  85   8.948  14.962  12.712
  661    H    ALA  86           H        ALA  86  10.070   9.086  14.963
  662    HA   ALA  86           HA       ALA  86   9.700   6.298  15.344
  663   1HB   ALA  86          1HB       ALA  86   7.665   8.109  16.477
  664   2HB   ALA  86          2HB       ALA  86   9.336   8.448  16.926
  665   3HB   ALA  86          3HB       ALA  86   8.637   6.863  17.258
  666    H    GLU  87           H        GLU  87   8.650   5.065  13.946
  667    HA   GLU  87           HA       GLU  87   6.064   6.001  12.894
  668   1HB   GLU  87          2HB       GLU  87   7.770   6.093  11.138
  669   2HB   GLU  87          1HB       GLU  87   8.170   4.404  11.418
  670   1HG   GLU  87          2HG       GLU  87   5.451   5.331  10.533
  671   2HG   GLU  87          1HG       GLU  87   6.738   4.888   9.415
  672    H    ARG  88           H        ARG  88   4.629   4.838  14.096
  673    HA   ARG  88           HA       ARG  88   5.155   1.964  14.432
  674   1HB   ARG  88          2HB       ARG  88   3.188   3.752  15.874
  675   2HB   ARG  88          1HB       ARG  88   3.364   2.024  16.148
  676   1HG   ARG  88          2HG       ARG  88   4.589   2.925  17.875
  677   2HG   ARG  88          1HG       ARG  88   5.834   2.608  16.665
  678   1HD   ARG  88          2HD       ARG  88   6.144   4.806  17.653
  679   2HD   ARG  88          1HD       ARG  88   5.719   4.950  15.948
  680    HE   ARG  88           HE       ARG  88   3.352   5.100  17.379
  681   1HH1  ARG  88          1HH1      ARG  88   6.315   6.917  17.118
  682   2HH1  ARG  88          2HH1      ARG  88   5.565   8.435  17.483
  683   1HH2  ARG  88          1HH2      ARG  88   2.359   7.091  17.861
  684   2HH2  ARG  88          2HH2      ARG  88   3.317   8.534  17.907
  685    H    TRP  89           H        TRP  89   2.415   4.147  13.764
  686    HA   TRP  89           HA       TRP  89   1.319   2.067  11.985
  687   1HB   TRP  89          2HB       TRP  89  -0.235   4.091  13.612
  688   2HB   TRP  89          1HB       TRP  89  -0.932   2.922  12.498
  689    HD1  TRP  89           HD       TRP  89  -1.021   0.366  13.298
  690    HE1  TRP  89           1HE      TRP  89  -0.888  -0.700  15.639
  691    HE3  TRP  89           3HE      TRP  89   0.854   4.348  15.898
  692    HZ2  TRP  89           2HZ      TRP  89  -0.100   0.053  18.241
  693    HZ3  TRP  89           3HZ      TRP  89   1.263   4.094  18.310
  694    HH2  TRP  89           HH       TRP  89   0.793   1.991  19.455
  695    H    GLY  90           H        GLY  90   1.925   5.469  12.534
  696   1HA   GLY  90          2HA       GLY  90   0.707   6.382  10.118
  697   2HA   GLY  90          1HA       GLY  90   1.783   7.305  11.153
  698    HA   PRO  91           HA       PRO  91   4.059   6.033   7.284
  699   1HB   PRO  91          2HB       PRO  91   3.882   8.602   6.100
  700   2HB   PRO  91          1HB       PRO  91   3.045   7.135   5.603
  701   1HG   PRO  91          2HG       PRO  91   1.843   9.416   6.664
  702   2HG   PRO  91          1HG       PRO  91   1.097   7.816   6.539
  703   1HD   PRO  91          2HD       PRO  91   2.362   9.141   8.892
  704   2HD   PRO  91          1HD       PRO  91   0.973   8.037   8.825
  705    H    ARG  92           H        ARG  92   4.232   9.309   8.716
  706    HA   ARG  92           HA       ARG  92   5.968  10.560   9.455
  707   1HB   ARG  92          2HB       ARG  92   7.064   9.268  10.915
  708   2HB   ARG  92          1HB       ARG  92   6.802   7.834   9.942
  709   1HG   ARG  92          2HG       ARG  92   8.966   9.722   9.158
  710   2HG   ARG  92          1HG       ARG  92   9.218   8.656  10.538
  711   1HD   ARG  92          2HD       ARG  92   8.463   6.771   9.000
  712   2HD   ARG  92          1HD       ARG  92   8.669   7.920   7.679
  713    HE   ARG  92           HE       ARG  92  11.023   7.985   9.103
  714   1HH1  ARG  92          1HH1      ARG  92   9.177   5.587   7.374
  715   2HH1  ARG  92          2HH1      ARG  92  10.567   4.645   6.943
  716   1HH2  ARG  92          1HH2      ARG  92  12.849   6.751   8.547
  717   2HH2  ARG  92          2HH2      ARG  92  12.653   5.304   7.621
  718    H    THR  93           H        THR  93   5.624   9.296   6.610
  719    HA   THR  93           HA       THR  93   6.673  11.117   4.982
  720    HB   THR  93           HB       THR  93   8.729   9.606   4.091
  721    HG1  THR  93           1HG      THR  93   8.896   8.167   5.700
  722   1HG2  THR  93          1HG2      THR  93  10.158  11.138   5.764
  723   2HG2  THR  93          2HG2      THR  93   8.614  11.987   5.797
  724   3HG2  THR  93          3HG2      THR  93   9.437  11.716   4.259
  725    H    LEU  94           H        LEU  94   7.810   7.859   4.360
  726    HA   LEU  94           HA       LEU  94   5.380   7.352   2.772
  727   1HB   LEU  94          2HB       LEU  94   6.679   6.329   1.017
  728   2HB   LEU  94          1HB       LEU  94   7.219   7.977   1.262
  729    HG   LEU  94           HG       LEU  94   8.655   5.576   2.385
  730   1HD1  LEU  94          1HD1      LEU  94  10.253   6.501   0.419
  731   2HD1  LEU  94          2HD1      LEU  94   8.666   6.797  -0.294
  732   3HD1  LEU  94          3HD1      LEU  94   9.116   5.169   0.216
  733   1HD2  LEU  94          1HD2      LEU  94  10.484   7.535   2.120
  734   2HD2  LEU  94          2HD2      LEU  94   9.561   7.255   3.596
  735   3HD2  LEU  94          3HD2      LEU  94   9.046   8.499   2.457
  736    H    ASP  95           H        ASP  95   5.012   5.049   2.353
  737    HA   ASP  95           HA       ASP  95   6.390   3.063   3.839
  738   1HB   ASP  95          2HB       ASP  95   5.283   4.143   5.734
  739   2HB   ASP  95          1HB       ASP  95   3.726   4.005   4.927
  740    H    LEU  96           H        LEU  96   6.200   1.382   2.547
  741    HA   LEU  96           HA       LEU  96   3.613   0.943   1.230
  742   1HB   LEU  96          2HB       LEU  96   4.741   0.085  -0.717
  743   2HB   LEU  96          1HB       LEU  96   5.322   1.693  -0.377
  744    HG   LEU  96           HG       LEU  96   6.796  -0.889   0.102
  745   1HD1  LEU  96          1HD1      LEU  96   6.973   1.333  -1.892
  746   2HD1  LEU  96          2HD1      LEU  96   6.945  -0.410  -2.161
  747   3HD1  LEU  96          3HD1      LEU  96   8.389   0.359  -1.498
  748   1HD2  LEU  96          1HD2      LEU  96   7.177   1.776   1.243
  749   2HD2  LEU  96          2HD2      LEU  96   8.604   1.135   0.429
  750   3HD2  LEU  96          3HD2      LEU  96   7.850   0.223   1.737
  751    H    ASP  97           H        ASP  97   2.704  -0.602   2.427
  752    HA   ASP  97           HA       ASP  97   4.283  -3.007   3.010
  753   1HB   ASP  97          2HB       ASP  97   1.913  -1.872   4.490
  754   2HB   ASP  97          1HB       ASP  97   2.584  -3.463   4.800
  755    H    ILE  98           H        ILE  98   3.313  -5.038   2.765
  756    HA   ILE  98           HA       ILE  98   1.616  -5.245   0.488
  757    HB   ILE  98           HB       ILE  98   3.158  -7.120   2.188
  758   1HG1  ILE  98          2HG1      ILE  98   3.995  -6.273   0.053
  759   2HG1  ILE  98          1HG1      ILE  98   3.788  -8.019   0.005
  760   1HG2  ILE  98          1HG2      ILE  98   0.882  -8.083   2.324
  761   2HG2  ILE  98          2HG2      ILE  98   2.005  -9.105   1.427
  762   3HG2  ILE  98          3HG2      ILE  98   0.819  -8.128   0.563
  763   1HD1  ILE  98          1HD1      ILE  98   2.258  -7.913  -1.622
  764   2HD1  ILE  98          2HD1      ILE  98   2.937  -6.313  -1.907
  765   3HD1  ILE  98          3HD1      ILE  98   1.475  -6.489  -0.936
  766    H    MET  99           H        MET  99  -0.491  -5.190   0.458
  767    HA   MET  99           HA       MET  99  -1.969  -5.728   2.943
  768   1HB   MET  99          2HB       MET  99  -2.885  -4.094   0.574
  769   2HB   MET  99          1HB       MET  99  -3.696  -4.249   2.128
  770   1HG   MET  99          2HG       MET  99  -1.070  -2.894   1.568
  771   2HG   MET  99          1HG       MET  99  -2.588  -2.136   2.042
  772   1HE   MET  99          1HE       MET  99  -3.551  -2.312   4.745
  773   2HE   MET  99          2HE       MET  99  -2.996  -3.711   5.664
  774   3HE   MET  99          3HE       MET  99  -3.748  -3.935   4.084
  775    H    LEU 100           H        LEU 100  -1.401  -6.875  -0.196
  776    HA   LEU 100           HA       LEU 100  -3.201  -9.054   0.148
  777   1HB   LEU 100          2HB       LEU 100  -4.173  -6.711  -1.191
  778   2HB   LEU 100          1HB       LEU 100  -4.080  -8.028  -2.344
  779    HG   LEU 100           HG       LEU 100  -5.567  -8.090   0.279
  780   1HD1  LEU 100          1HD1      LEU 100  -7.411  -7.435  -0.792
  781   2HD1  LEU 100          2HD1      LEU 100  -7.066  -8.457  -2.187
  782   3HD1  LEU 100          3HD1      LEU 100  -6.320  -6.865  -2.057
  783   1HD2  LEU 100          1HD2      LEU 100  -6.344 -10.163  -1.485
  784   2HD2  LEU 100          2HD2      LEU 100  -5.591 -10.299   0.106
  785   3HD2  LEU 100          3HD2      LEU 100  -4.585 -10.203  -1.340
  786    H    PHE 101           H        PHE 101  -1.355 -10.374  -0.269
  787    HA   PHE 101           HA       PHE 101  -0.285 -10.004  -2.967
  788   1HB   PHE 101          2HB       PHE 101   1.633 -11.381  -2.338
  789   2HB   PHE 101          1HB       PHE 101   1.486  -9.946  -1.384
  790    HD1  PHE 101           1HD      PHE 101  -0.204 -13.217  -0.812
  791    HD2  PHE 101           2HD      PHE 101   2.806 -10.468   0.383
  792    HE1  PHE 101           1HE      PHE 101   0.306 -14.620   1.139
  793    HE2  PHE 101           2HE      PHE 101   3.312 -11.861   2.339
  794    HZ   PHE 101           HZ       PHE 101   2.063 -13.946   2.713
  795    H    GLY 102           H        GLY 102  -0.424 -11.397  -4.530
  796   1HA   GLY 102          2HA       GLY 102  -1.711 -12.947  -5.715
  797   2HA   GLY 102          1HA       GLY 102  -0.610 -13.992  -4.835
  798    H    ASN 103           H        ASN 103  -1.600 -15.651  -3.998
  799    HA   ASN 103           HA       ASN 103  -4.243 -15.287  -2.746
  800   1HB   ASN 103          2HB       ASN 103  -4.890 -17.505  -3.560
  801   2HB   ASN 103          1HB       ASN 103  -4.486 -16.449  -4.914
  802   1HD2  ASN 103          1HD2      ASN 103  -3.680 -19.286  -3.171
  803   2HD2  ASN 103          2HD2      ASN 103  -2.382 -19.812  -4.180
  804    H    GLU 104           H        GLU 104  -1.324 -15.474  -1.796
  805    HA   GLU 104           HA       GLU 104  -1.658 -17.864  -0.117
  806   1HB   GLU 104          2HB       GLU 104   0.814 -17.462   0.392
  807   2HB   GLU 104          1HB       GLU 104   0.381 -18.106  -1.176
  808   1HG   GLU 104          2HG       GLU 104   0.713 -15.171  -0.819
  809   2HG   GLU 104          1HG       GLU 104   2.130 -16.197  -0.992
  810    H    VAL 105           H        VAL 105  -0.454 -17.586   2.059
  811    HA   VAL 105           HA       VAL 105  -0.839 -14.960   3.249
  812    HB   VAL 105           HB       VAL 105  -2.357 -17.407   4.160
  813   1HG1  VAL 105          1HG1      VAL 105  -1.809 -14.797   5.542
  814   2HG1  VAL 105          2HG1      VAL 105  -1.660 -16.439   6.174
  815   3HG1  VAL 105          3HG1      VAL 105  -3.257 -15.738   5.904
  816   1HG2  VAL 105          1HG2      VAL 105  -4.340 -16.119   3.756
  817   2HG2  VAL 105          2HG2      VAL 105  -3.343 -16.080   2.300
  818   3HG2  VAL 105          3HG2      VAL 105  -3.384 -14.684   3.377
  819    H    ILE 106           H        ILE 106   1.386 -14.958   3.649
  820    HA   ILE 106           HA       ILE 106   2.202 -16.701   5.860
  821    HB   ILE 106           HB       ILE 106   4.015 -16.103   3.515
  822   1HG1  ILE 106          2HG1      ILE 106   3.870 -18.677   3.251
  823   2HG1  ILE 106          1HG1      ILE 106   2.373 -18.538   4.167
  824   1HG2  ILE 106          1HG2      ILE 106   5.353 -17.970   4.677
  825   2HG2  ILE 106          2HG2      ILE 106   4.355 -17.600   6.085
  826   3HG2  ILE 106          3HG2      ILE 106   5.378 -16.351   5.375
  827   1HD1  ILE 106          1HD1      ILE 106   1.794 -16.737   2.367
  828   2HD1  ILE 106          2HD1      ILE 106   1.600 -18.454   2.018
  829   3HD1  ILE 106          3HD1      ILE 106   3.016 -17.588   1.425
  830    H    ASN 107           H        ASN 107   2.263 -15.189   7.386
  831    HA   ASN 107           HA       ASN 107   3.294 -12.554   6.892
  832   1HB   ASN 107          2HB       ASN 107   2.820 -13.750   9.616
  833   2HB   ASN 107          1HB       ASN 107   2.680 -12.064   9.117
  834   1HD2  ASN 107          1HD2      ASN 107   0.801 -11.339   8.294
  835   2HD2  ASN 107          2HD2      ASN 107  -0.636 -12.284   8.158
  836    H    THR 108           H        THR 108   5.409 -12.434   6.478
  837    HA   THR 108           HA       THR 108   7.213 -14.248   7.877
  838    HB   THR 108           HB       THR 108   8.324 -12.226   6.026
  839    HG1  THR 108           1HG      THR 108   6.898 -14.389   4.935
  840   1HG2  THR 108          1HG2      THR 108   9.229 -14.572   7.055
  841   2HG2  THR 108          2HG2      THR 108   9.853 -13.796   5.600
  842   3HG2  THR 108          3HG2      THR 108   8.639 -15.071   5.474
  843    H    GLU 109           H        GLU 109   9.531 -12.633   7.820
  844    HA   GLU 109           HA       GLU 109   9.438 -11.493  10.376
  845   1HB   GLU 109          2HB       GLU 109  11.413 -11.019   8.138
  846   2HB   GLU 109          1HB       GLU 109  11.668 -10.560   9.817
  847   1HG   GLU 109          2HG       GLU 109  11.326 -13.363   8.768
  848   2HG   GLU 109          1HG       GLU 109  12.836 -12.617   9.290
  849    H    ARG 110           H        ARG 110  10.515  -9.514   7.674
  850    HA   ARG 110           HA       ARG 110   9.150  -7.216   8.780
  851   1HB   ARG 110          2HB       ARG 110  10.821  -7.498   6.267
  852   2HB   ARG 110          1HB       ARG 110  10.242  -5.980   6.941
  853   1HG   ARG 110          2HG       ARG 110  12.116  -7.877   8.341
  854   2HG   ARG 110          1HG       ARG 110  12.610  -6.436   7.449
  855   1HD   ARG 110          2HD       ARG 110  10.779  -6.468   9.848
  856   2HD   ARG 110          1HD       ARG 110  12.490  -6.044   9.876
  857    HE   ARG 110           HE       ARG 110  10.355  -4.337   9.185
  858   1HH1  ARG 110          1HH1      ARG 110  13.613  -5.132   8.228
  859   2HH1  ARG 110          2HH1      ARG 110  13.932  -3.570   7.555
  860   1HH2  ARG 110          1HH2      ARG 110  10.774  -2.278   8.302
  861   2HH2  ARG 110          2HH2      ARG 110  12.321  -1.948   7.597
  862    H    LEU 111           H        LEU 111   8.487  -9.735   6.711
  863    HA   LEU 111           HA       LEU 111   6.623  -8.298   5.012
  864   1HB   LEU 111          2HB       LEU 111   7.971 -10.082   4.016
  865   2HB   LEU 111          1HB       LEU 111   7.341 -11.220   5.180
  866    HG   LEU 111           HG       LEU 111   6.386 -11.342   2.848
  867   1HD1  LEU 111          1HD1      LEU 111   4.157 -10.869   4.747
  868   2HD1  LEU 111          2HD1      LEU 111   5.326 -12.144   5.090
  869   3HD1  LEU 111          3HD1      LEU 111   4.401 -12.176   3.589
  870   1HD2  LEU 111          1HD2      LEU 111   4.966  -8.846   3.734
  871   2HD2  LEU 111          2HD2      LEU 111   4.576  -9.798   2.301
  872   3HD2  LEU 111          3HD2      LEU 111   6.131  -8.975   2.416
  873    H    THR 112           H        THR 112   4.498  -8.382   5.111
  874    HA   THR 112           HA       THR 112   3.130 -10.198   6.920
  875    HB   THR 112           HB       THR 112   1.644  -8.036   7.420
  876    HG1  THR 112           1HG      THR 112   3.196  -6.296   7.855
  877   1HG2  THR 112          1HG2      THR 112   3.750  -7.713   9.267
  878   2HG2  THR 112          2HG2      THR 112   3.605  -9.435   8.909
  879   3HG2  THR 112          3HG2      THR 112   2.203  -8.532   9.487
  880    H    VAL 113           H        VAL 113   1.319 -10.964   5.958
  881    HA   VAL 113           HA       VAL 113   0.753  -9.904   3.335
  882    HB   VAL 113           HB       VAL 113   0.121 -11.983   2.810
  883   1HG1  VAL 113          1HG1      VAL 113   0.374 -12.790   5.677
  884   2HG1  VAL 113          2HG1      VAL 113   1.742 -12.553   4.576
  885   3HG1  VAL 113          3HG1      VAL 113   0.538 -13.790   4.235
  886   1HG2  VAL 113          1HG2      VAL 113  -2.097 -11.971   3.104
  887   2HG2  VAL 113          2HG2      VAL 113  -1.994 -11.412   4.779
  888   3HG2  VAL 113          3HG2      VAL 113  -1.720 -13.112   4.399
  889    HA   PRO 114           HA       PRO 114  -3.122  -7.561   3.565
  890   1HB   PRO 114          2HB       PRO 114  -4.311 -10.247   4.247
  891   2HB   PRO 114          1HB       PRO 114  -5.021  -8.931   3.322
  892   1HG   PRO 114          2HG       PRO 114  -3.626 -11.062   2.212
  893   2HG   PRO 114          1HG       PRO 114  -3.916  -9.509   1.409
  894   1HD   PRO 114          2HD       PRO 114  -1.398 -10.547   2.166
  895   2HD   PRO 114          1HD       PRO 114  -1.734  -8.865   1.691
  896    H    HIS 115           H        HIS 115  -2.179  -6.565   5.412
  897    HA   HIS 115           HA       HIS 115  -2.312  -7.609   8.027
  898   1HB   HIS 115          2HB       HIS 115  -0.760  -5.812   7.233
  899   2HB   HIS 115          1HB       HIS 115  -2.136  -4.719   7.143
  900    HD1  HIS 115           1HD      HIS 115  -3.507  -5.031   9.758
  901    HD2  HIS 115           2HD      HIS 115   0.633  -5.090   9.409
  902    HE1  HIS 115           1HE      HIS 115  -2.635  -4.401  12.031
  903    HE2  HIS 115           2HE      HIS 115  -0.126  -4.536  11.820
  904    H    TYR 116           H        TYR 116  -4.204  -8.088   8.953
  905    HA   TYR 116           HA       TYR 116  -6.719  -7.248   8.373
  906   1HB   TYR 116          2HB       TYR 116  -7.031  -7.455  11.024
  907   2HB   TYR 116          1HB       TYR 116  -6.803  -8.859   9.991
  908    HD1  TYR 116           1HD      TYR 116  -4.263  -6.412  11.164
  909    HD2  TYR 116           2HD      TYR 116  -5.710 -10.407  11.417
  910    HE1  TYR 116           1HE      TYR 116  -2.291  -7.038  12.490
  911    HE2  TYR 116           2HE      TYR 116  -3.740 -11.041  12.741
  912    HH   TYR 116           HH       TYR 116  -1.177  -8.695  13.467
  913    H    ASP 117           H        ASP 117  -6.826  -5.118   7.728
  914    HA   ASP 117           HA       ASP 117  -7.478  -3.176   9.661
  915   1HB   ASP 117          2HB       ASP 117  -4.896  -3.405   9.834
  916   2HB   ASP 117          1HB       ASP 117  -4.881  -2.571   8.291
  917    H    MET 118           H        MET 118  -6.169  -3.807   6.467
  918    HA   MET 118           HA       MET 118  -6.844  -1.500   5.115
  919   1HB   MET 118          2HB       MET 118  -6.746  -2.824   3.084
  920   2HB   MET 118          1HB       MET 118  -5.459  -3.293   4.181
  921   1HG   MET 118          2HG       MET 118  -8.051  -4.789   4.025
  922   2HG   MET 118          1HG       MET 118  -6.694  -5.144   2.959
  923   1HE   MET 118          1HE       MET 118  -6.217  -7.810   3.925
  924   2HE   MET 118          2HE       MET 118  -7.864  -7.323   4.323
  925   3HE   MET 118          3HE       MET 118  -6.848  -8.084   5.549
  926    H    LYS 119           H        LYS 119  -8.839  -4.341   5.701
  927    HA   LYS 119           HA       LYS 119 -11.021  -3.418   4.106
  928   1HB   LYS 119          2HB       LYS 119 -12.010  -5.314   5.921
  929   2HB   LYS 119          1HB       LYS 119 -11.526  -5.570   4.251
  930   1HG   LYS 119          2HG       LYS 119  -9.393  -6.306   4.857
  931   2HG   LYS 119          1HG       LYS 119  -9.548  -5.678   6.498
  932   1HD   LYS 119          2HD       LYS 119 -11.343  -7.339   6.914
  933   2HD   LYS 119          1HD       LYS 119 -11.084  -7.985   5.292
  934   1HE   LYS 119          2HE       LYS 119  -9.934  -9.349   6.937
  935   2HE   LYS 119          1HE       LYS 119  -8.768  -8.531   5.897
  936   1HZ   LYS 119          1HZ       LYS 119  -9.547  -7.261   8.424
  937   2HZ   LYS 119          2HZ       LYS 119  -8.083  -7.170   7.583
  938   3HZ   LYS 119          3HZ       LYS 119  -8.463  -8.559   8.470
  939    H    ASN 120           H        ASN 120  -9.847  -2.300   6.905
  940    HA   ASN 120           HA       ASN 120 -12.486  -1.389   7.852
  941   1HB   ASN 120          2HB       ASN 120  -9.988  -1.579   9.537
  942   2HB   ASN 120          1HB       ASN 120 -11.646  -1.353  10.090
  943   1HD2  ASN 120          1HD2      ASN 120  -9.305  -3.442  10.195
  944   2HD2  ASN 120          2HD2      ASN 120 -10.140  -4.944  10.086
  945    H    ARG 121           H        ARG 121 -10.471  -0.387   5.849
  946    HA   ARG 121           HA       ARG 121 -10.410   2.383   6.755
  947   1HB   ARG 121          2HB       ARG 121  -7.944   0.841   5.925
  948   2HB   ARG 121          1HB       ARG 121  -8.010   2.592   6.063
  949   1HG   ARG 121          2HG       ARG 121  -8.848   1.054   8.439
  950   2HG   ARG 121          1HG       ARG 121  -7.136   0.992   8.012
  951   1HD   ARG 121          2HD       ARG 121  -7.589   2.815   9.575
  952   2HD   ARG 121          1HD       ARG 121  -7.028   3.427   8.021
  953    HE   ARG 121           HE       ARG 121  -9.046   4.468   7.740
  954   1HH1  ARG 121          1HH1      ARG 121  -9.303   2.171  10.348
  955   2HH1  ARG 121          2HH1      ARG 121 -10.908   2.658  10.785
  956   1HH2  ARG 121          1HH2      ARG 121 -11.150   5.116   8.311
  957   2HH2  ARG 121          2HH2      ARG 121 -11.957   4.332   9.627
  958    H    GLY 122           H        GLY 122 -10.736   3.792   5.092
  959   1HA   GLY 122          2HA       GLY 122 -11.231   2.671   2.465
  960   2HA   GLY 122          1HA       GLY 122 -11.503   4.335   2.952
  961    H    PHE 123           H        PHE 123  -8.484   3.303   3.902
  962    HA   PHE 123           HA       PHE 123  -7.166   4.923   1.901
  963   1HB   PHE 123          2HB       PHE 123  -6.347   5.210   4.116
  964   2HB   PHE 123          1HB       PHE 123  -6.261   3.478   4.393
  965    HD1  PHE 123           1HD      PHE 123  -4.022   3.089   4.938
  966    HD2  PHE 123           2HD      PHE 123  -4.970   5.467   1.540
  967    HE1  PHE 123           1HE      PHE 123  -1.645   3.129   4.302
  968    HE2  PHE 123           2HE      PHE 123  -2.597   5.509   0.899
  969    HZ   PHE 123           HZ       PHE 123  -0.910   4.301   2.354
  970    H    MET 124           H        MET 124  -7.455   1.582   2.843
  971    HA   MET 124           HA       MET 124  -5.630   0.697   0.760
  972   1HB   MET 124          2HB       MET 124  -7.206  -0.852   2.832
  973   2HB   MET 124          1HB       MET 124  -6.115  -1.580   1.662
  974   1HG   MET 124          2HG       MET 124  -4.920  -1.414   3.679
  975   2HG   MET 124          1HG       MET 124  -4.287  -0.151   2.626
  976   1HE   MET 124          1HE       MET 124  -3.359  -0.121   5.051
  977   2HE   MET 124          2HE       MET 124  -4.339   0.215   6.478
  978   3HE   MET 124          3HE       MET 124  -3.558   1.538   5.612
  979    H    LEU 125           H        LEU 125  -8.923  -0.200   1.724
  980    HA   LEU 125           HA       LEU 125  -9.675  -1.644  -0.467
  981   1HB   LEU 125          2HB       LEU 125 -11.366   0.166   1.247
  982   2HB   LEU 125          1HB       LEU 125 -12.017  -1.007   0.123
  983    HG   LEU 125           HG       LEU 125 -10.423  -1.563   2.618
  984   1HD1  LEU 125          1HD1      LEU 125 -12.348  -2.106   3.616
  985   2HD1  LEU 125          2HD1      LEU 125 -13.011  -2.848   2.160
  986   3HD1  LEU 125          3HD1      LEU 125 -13.075  -1.099   2.364
  987   1HD2  LEU 125          1HD2      LEU 125 -10.543  -3.900   2.105
  988   2HD2  LEU 125          2HD2      LEU 125  -9.784  -3.072   0.745
  989   3HD2  LEU 125          3HD2      LEU 125 -11.470  -3.578   0.639
  990    H    TRP 126           H        TRP 126 -10.425   1.843  -0.083
  991    HA   TRP 126           HA       TRP 126 -11.765   2.170  -2.451
  992   1HB   TRP 126          2HB       TRP 126 -11.701   3.906  -0.774
  993   2HB   TRP 126          1HB       TRP 126  -9.989   4.180  -1.069
  994    HD1  TRP 126           HD       TRP 126 -10.110   6.620  -1.919
  995    HE1  TRP 126           1HE      TRP 126 -11.155   7.765  -3.969
  996    HE3  TRP 126           3HE      TRP 126 -12.946   2.740  -3.670
  997    HZ2  TRP 126           2HZ      TRP 126 -12.932   7.115  -6.060
  998    HZ3  TRP 126           3HZ      TRP 126 -14.285   3.084  -5.705
  999    HH2  TRP 126           HH       TRP 126 -14.277   5.228  -6.874
 1000    HA   PRO 127           HA       PRO 127  -7.803   3.345  -4.920
 1001   1HB   PRO 127          2HB       PRO 127  -5.540   2.491  -3.247
 1002   2HB   PRO 127          1HB       PRO 127  -5.795   4.016  -4.101
 1003   1HG   PRO 127          2HG       PRO 127  -5.937   3.887  -1.438
 1004   2HG   PRO 127          1HG       PRO 127  -7.025   4.933  -2.376
 1005   1HD   PRO 127          2HD       PRO 127  -7.566   2.219  -1.192
 1006   2HD   PRO 127          1HD       PRO 127  -8.577   3.684  -1.147
 1007    H    LEU 128           H        LEU 128  -7.148   0.545  -2.800
 1008    HA   LEU 128           HA       LEU 128  -5.840  -1.064  -4.681
 1009   1HB   LEU 128          2HB       LEU 128  -6.619  -1.308  -2.051
 1010   2HB   LEU 128          1HB       LEU 128  -7.619  -2.488  -2.860
 1011    HG   LEU 128           HG       LEU 128  -5.569  -3.511  -3.808
 1012   1HD1  LEU 128          1HD1      LEU 128  -3.446  -2.933  -2.560
 1013   2HD1  LEU 128          2HD1      LEU 128  -4.276  -1.490  -1.980
 1014   3HD1  LEU 128          3HD1      LEU 128  -4.007  -1.716  -3.708
 1015   1HD2  LEU 128          1HD2      LEU 128  -5.980  -3.340  -0.829
 1016   2HD2  LEU 128          2HD2      LEU 128  -4.841  -4.463  -1.570
 1017   3HD2  LEU 128          3HD2      LEU 128  -6.562  -4.575  -1.944
 1018    H    PHE 129           H        PHE 129  -9.210  -0.583  -3.965
 1019    HA   PHE 129           HA       PHE 129 -10.429  -2.627  -5.417
 1020   1HB   PHE 129          2HB       PHE 129 -11.640  -1.137  -3.893
 1021   2HB   PHE 129          1HB       PHE 129 -11.350   0.236  -4.951
 1022    HD1  PHE 129           1HD      PHE 129 -13.024   0.867  -6.397
 1023    HD2  PHE 129           2HD      PHE 129 -12.886  -3.159  -5.025
 1024    HE1  PHE 129           1HE      PHE 129 -15.141   0.402  -7.560
 1025    HE2  PHE 129           2HE      PHE 129 -15.002  -3.630  -6.186
 1026    HZ   PHE 129           HZ       PHE 129 -16.132  -1.825  -7.467
 1027    H    GLU 130           H        GLU 130  -8.550  -0.040  -6.559
 1028    HA   GLU 130           HA       GLU 130  -9.752  -0.122  -9.225
 1029   1HB   GLU 130          2HB       GLU 130  -9.511   2.105  -8.226
 1030   2HB   GLU 130          1HB       GLU 130  -7.781   1.845  -8.054
 1031   1HG   GLU 130          2HG       GLU 130  -8.206   3.242  -9.961
 1032   2HG   GLU 130          1HG       GLU 130  -7.583   1.685 -10.499
 1033    H    ILE 131           H        ILE 131  -6.736  -0.695  -7.482
 1034    HA   ILE 131           HA       ILE 131  -5.154  -1.050  -9.825
 1035    HB   ILE 131           HB       ILE 131  -3.411  -1.769  -8.420
 1036   1HG1  ILE 131          2HG1      ILE 131  -5.388  -2.270  -6.179
 1037   2HG1  ILE 131          1HG1      ILE 131  -4.760  -3.544  -7.217
 1038   1HG2  ILE 131          1HG2      ILE 131  -3.925  -0.219  -6.289
 1039   2HG2  ILE 131          2HG2      ILE 131  -5.198   0.331  -7.381
 1040   3HG2  ILE 131          3HG2      ILE 131  -3.509   0.418  -7.879
 1041   1HD1  ILE 131          1HD1      ILE 131  -2.960  -1.757  -5.633
 1042   2HD1  ILE 131          2HD1      ILE 131  -2.606  -3.327  -6.356
 1043   3HD1  ILE 131          3HD1      ILE 131  -3.672  -3.220  -4.956
 1044    H    ALA 132           H        ALA 132  -7.183  -3.096  -7.912
 1045    HA   ALA 132           HA       ALA 132  -7.697  -4.971  -9.820
 1046   1HB   ALA 132          1HB       ALA 132  -6.305  -6.937  -8.981
 1047   2HB   ALA 132          2HB       ALA 132  -5.276  -5.727  -8.211
 1048   3HB   ALA 132          3HB       ALA 132  -5.476  -5.729  -9.963
 1049    HA   PRO 133           HA       PRO 133 -10.000  -5.696  -5.957
 1050   1HB   PRO 133          2HB       PRO 133 -12.340  -4.770  -6.642
 1051   2HB   PRO 133          1HB       PRO 133 -10.980  -3.630  -6.496
 1052   1HG   PRO 133          2HG       PRO 133 -12.137  -4.880  -8.981
 1053   2HG   PRO 133          1HG       PRO 133 -11.727  -3.180  -8.682
 1054   1HD   PRO 133          2HD       PRO 133 -10.065  -5.030  -9.935
 1055   2HD   PRO 133          1HD       PRO 133  -9.523  -3.513  -9.187
 1056    H    GLU 134           H        GLU 134  -9.613  -7.337  -8.634
 1057    HA   GLU 134           HA       GLU 134 -12.028  -8.998  -8.449
 1058   1HB   GLU 134          2HB       GLU 134 -11.204 -10.072 -10.513
 1059   2HB   GLU 134          1HB       GLU 134 -11.379  -8.335 -10.715
 1060   1HG   GLU 134          2HG       GLU 134  -8.964  -8.064 -10.381
 1061   2HG   GLU 134          1HG       GLU 134  -8.804  -9.813 -10.231
 1062    H    LEU 135           H        LEU 135  -9.536  -8.629  -6.753
 1063    HA   LEU 135           HA       LEU 135  -8.226 -11.177  -6.727
 1064   1HB   LEU 135          2HB       LEU 135  -7.363  -8.814  -6.090
 1065   2HB   LEU 135          1HB       LEU 135  -8.153  -9.110  -4.561
 1066    HG   LEU 135           HG       LEU 135  -5.733  -9.561  -4.554
 1067   1HD1  LEU 135          1HD1      LEU 135  -6.077 -11.024  -2.914
 1068   2HD1  LEU 135          2HD1      LEU 135  -6.672 -12.248  -4.035
 1069   3HD1  LEU 135          3HD1      LEU 135  -7.773 -11.027  -3.397
 1070   1HD2  LEU 135          1HD2      LEU 135  -4.783 -11.416  -5.683
 1071   2HD2  LEU 135          2HD2      LEU 135  -5.658 -10.465  -6.884
 1072   3HD2  LEU 135          3HD2      LEU 135  -6.362 -11.956  -6.254
 1073    H    VAL 136           H        VAL 136  -8.511 -12.817  -5.273
 1074    HA   VAL 136           HA       VAL 136 -10.590 -12.480  -3.237
 1075    HB   VAL 136           HB       VAL 136 -11.768 -13.623  -4.947
 1076   1HG1  VAL 136          1HG1      VAL 136 -10.302 -14.453  -6.497
 1077   2HG1  VAL 136          2HG1      VAL 136 -10.728 -15.947  -5.665
 1078   3HG1  VAL 136          3HG1      VAL 136  -9.217 -15.122  -5.279
 1079   1HG2  VAL 136          1HG2      VAL 136 -12.377 -15.675  -3.887
 1080   2HG2  VAL 136          2HG2      VAL 136 -11.962 -14.520  -2.620
 1081   3HG2  VAL 136          3HG2      VAL 136 -10.817 -15.783  -3.072
 1082    H    PHE 137           H        PHE 137  -9.878 -13.017  -1.301
 1083    HA   PHE 137           HA       PHE 137  -7.308 -14.009  -0.820
 1084   1HB   PHE 137          2HB       PHE 137  -9.745 -13.927   0.974
 1085   2HB   PHE 137          1HB       PHE 137  -8.140 -14.372   1.531
 1086    HD1  PHE 137           1HD      PHE 137  -9.620 -11.620  -0.512
 1087    HD2  PHE 137           2HD      PHE 137  -7.074 -12.705   2.723
 1088    HE1  PHE 137           1HE      PHE 137  -9.115  -9.248  -0.112
 1089    HE2  PHE 137           2HE      PHE 137  -6.572 -10.337   3.130
 1090    HZ   PHE 137           HZ       PHE 137  -7.608  -8.618   1.815
 1091    HA   PRO 138           HA       PRO 138  -7.470 -18.394  -1.314
 1092   1HB   PRO 138          2HB       PRO 138  -6.584 -19.110   1.268
 1093   2HB   PRO 138          1HB       PRO 138  -5.583 -18.927  -0.171
 1094   1HG   PRO 138          2HG       PRO 138  -6.054 -17.035   2.068
 1095   2HG   PRO 138          1HG       PRO 138  -4.618 -17.245   1.050
 1096   1HD   PRO 138          2HD       PRO 138  -6.267 -15.147   0.749
 1097   2HD   PRO 138          1HD       PRO 138  -5.472 -15.912  -0.644
 1098    H    ASP 139           H        ASP 139  -8.949 -16.730   1.300
 1099    HA   ASP 139           HA       ASP 139 -10.508 -18.859   2.370
 1100   1HB   ASP 139          2HB       ASP 139  -9.902 -16.691   3.541
 1101   2HB   ASP 139          1HB       ASP 139 -11.097 -15.901   2.528
 1102    H    GLY 140           H        GLY 140 -11.593 -15.937   0.597
 1103   1HA   GLY 140          2HA       GLY 140 -12.959 -17.098  -1.468
 1104   2HA   GLY 140          1HA       GLY 140 -14.076 -17.192  -0.117
 1105    H    GLU 141           H        GLU 141 -12.733 -14.555   0.839
 1106    HA   GLU 141           HA       GLU 141 -14.699 -12.845  -0.360
 1107   1HB   GLU 141          2HB       GLU 141 -12.530 -12.405   1.672
 1108   2HB   GLU 141          1HB       GLU 141 -13.471 -11.067   1.027
 1109   1HG   GLU 141          2HG       GLU 141 -14.393 -11.792   3.128
 1110   2HG   GLU 141          1HG       GLU 141 -15.522 -12.141   1.820
 1111    H    MET 142           H        MET 142 -14.133 -10.667  -1.193
 1112    HA   MET 142           HA       MET 142 -11.633 -10.637  -2.737
 1113   1HB   MET 142          2HB       MET 142 -14.368  -9.963  -3.839
 1114   2HB   MET 142          1HB       MET 142 -12.847  -9.798  -4.706
 1115   1HG   MET 142          2HG       MET 142 -12.511 -12.216  -4.569
 1116   2HG   MET 142          1HG       MET 142 -14.045 -12.376  -3.715
 1117   1HE   MET 142          1HE       MET 142 -15.792 -10.393  -4.886
 1118   2HE   MET 142          2HE       MET 142 -16.591 -11.938  -5.187
 1119   3HE   MET 142          3HE       MET 142 -16.399 -10.773  -6.498
 1120    H    LEU 143           H        LEU 143 -11.229  -8.361  -3.701
 1121    HA   LEU 143           HA       LEU 143 -11.345  -6.481  -1.604
 1122   1HB   LEU 143          2HB       LEU 143  -9.625  -6.679  -3.442
 1123   2HB   LEU 143          1HB       LEU 143 -10.807  -5.977  -4.526
 1124    HG   LEU 143           HG       LEU 143 -10.791  -3.905  -3.271
 1125   1HD1  LEU 143          1HD1      LEU 143  -8.982  -3.685  -1.477
 1126   2HD1  LEU 143          2HD1      LEU 143  -9.006  -5.447  -1.411
 1127   3HD1  LEU 143          3HD1      LEU 143 -10.465  -4.530  -1.032
 1128   1HD2  LEU 143          1HD2      LEU 143  -8.546  -3.202  -3.790
 1129   2HD2  LEU 143          2HD2      LEU 143  -9.124  -4.302  -5.041
 1130   3HD2  LEU 143          3HD2      LEU 143  -7.993  -4.876  -3.814
 1131    H    ARG 144           H        ARG 144 -13.431  -7.365  -4.156
 1132    HA   ARG 144           HA       ARG 144 -14.976  -4.919  -4.155
 1133   1HB   ARG 144          2HB       ARG 144 -14.836  -6.055  -6.253
 1134   2HB   ARG 144          1HB       ARG 144 -15.304  -7.589  -5.530
 1135   1HG   ARG 144          2HG       ARG 144 -17.109  -6.597  -6.850
 1136   2HG   ARG 144          1HG       ARG 144 -17.549  -6.758  -5.149
 1137   1HD   ARG 144          2HD       ARG 144 -17.050  -4.396  -4.791
 1138   2HD   ARG 144          1HD       ARG 144 -16.582  -4.231  -6.483
 1139    HE   ARG 144           HE       ARG 144 -19.196  -4.085  -5.457
 1140   1HH1  ARG 144          1HH1      ARG 144 -17.428  -5.433  -8.145
 1141   2HH1  ARG 144          2HH1      ARG 144 -18.793  -5.427  -9.211
 1142   1HH2  ARG 144          1HH2      ARG 144 -20.996  -4.078  -6.853
 1143   2HH2  ARG 144          2HH2      ARG 144 -20.821  -4.658  -8.476
 1144    H    GLN 145           H        GLN 145 -15.191  -8.205  -2.918
 1145    HA   GLN 145           HA       GLN 145 -17.825  -8.023  -1.898
 1146   1HB   GLN 145          2HB       GLN 145 -16.800 -10.182  -2.271
 1147   2HB   GLN 145          1HB       GLN 145 -15.503  -9.810  -1.145
 1148   1HG   GLN 145          2HG       GLN 145 -18.331  -9.822  -0.194
 1149   2HG   GLN 145          1HG       GLN 145 -17.479 -11.344  -0.432
 1150   1HE2  GLN 145          1HE2      GLN 145 -15.177  -9.137   0.360
 1151   2HE2  GLN 145          2HE2      GLN 145 -15.107  -9.391   2.062
 1152    H    ILE 146           H        ILE 146 -14.648  -7.288  -0.577
 1153    HA   ILE 146           HA       ILE 146 -15.400  -6.904   2.095
 1154    HB   ILE 146           HB       ILE 146 -13.189  -5.553   0.539
 1155   1HG1  ILE 146          2HG1      ILE 146 -13.130  -7.924   2.422
 1156   2HG1  ILE 146          1HG1      ILE 146 -13.045  -8.027   0.668
 1157   1HG2  ILE 146          1HG2      ILE 146 -13.330  -5.826   3.524
 1158   2HG2  ILE 146          2HG2      ILE 146 -14.009  -4.430   2.688
 1159   3HG2  ILE 146          3HG2      ILE 146 -12.287  -4.784   2.556
 1160   1HD1  ILE 146          1HD1      ILE 146 -10.887  -8.090   2.172
 1161   2HD1  ILE 146          2HD1      ILE 146 -11.046  -6.336   2.063
 1162   3HD1  ILE 146          3HD1      ILE 146 -10.890  -7.303   0.594
 1163    H    LEU 147           H        LEU 147 -15.256  -4.613  -0.636
 1164    HA   LEU 147           HA       LEU 147 -16.137  -2.412   0.932
 1165   1HB   LEU 147          2HB       LEU 147 -15.901  -2.888  -2.013
 1166   2HB   LEU 147          1HB       LEU 147 -16.776  -1.488  -1.428
 1167    HG   LEU 147           HG       LEU 147 -13.853  -2.121  -1.058
 1168   1HD1  LEU 147          1HD1      LEU 147 -15.154  -0.776  -3.044
 1169   2HD1  LEU 147          2HD1      LEU 147 -13.470  -0.529  -2.584
 1170   3HD1  LEU 147          3HD1      LEU 147 -14.726   0.527  -1.935
 1171   1HD2  LEU 147          1HD2      LEU 147 -14.639   0.424   0.020
 1172   2HD2  LEU 147          2HD2      LEU 147 -13.750  -0.890   0.789
 1173   3HD2  LEU 147          3HD2      LEU 147 -15.512  -0.876   0.830
 1174    H    HIS 148           H        HIS 148 -17.734  -5.056  -0.587
 1175    HA   HIS 148           HA       HIS 148 -20.288  -3.991  -1.006
 1176   1HB   HIS 148          2HB       HIS 148 -19.467  -6.308  -1.655
 1177   2HB   HIS 148          1HB       HIS 148 -19.705  -6.779   0.022
 1178    HD1  HIS 148           1HD      HIS 148 -21.329  -8.491  -1.507
 1179    HD2  HIS 148           2HD      HIS 148 -22.624  -4.603  -0.821
 1180    HE1  HIS 148           1HE      HIS 148 -23.808  -8.524  -1.927
 1181    HE2  HIS 148           2HE      HIS 148 -24.581  -6.174  -1.451
 1182    H    THR 149           H        THR 149 -18.481  -4.603   1.803
 1183    HA   THR 149           HA       THR 149 -20.813  -4.310   3.555
 1184    HB   THR 149           HB       THR 149 -17.997  -5.271   4.119
 1185    HG1  THR 149           1HG      THR 149 -19.892  -6.993   4.796
 1186   1HG2  THR 149          1HG2      THR 149 -18.330  -5.204   6.316
 1187   2HG2  THR 149          2HG2      THR 149 -19.992  -5.778   6.171
 1188   3HG2  THR 149          3HG2      THR 149 -19.629  -4.064   5.969
 1189    H    ARG 150           H        ARG 150 -17.814  -2.836   2.541
 1190    HA   ARG 150           HA       ARG 150 -18.075  -0.687   4.521
 1191   1HB   ARG 150          2HB       ARG 150 -15.908  -1.353   2.522
 1192   2HB   ARG 150          1HB       ARG 150 -15.894   0.100   3.506
 1193   1HG   ARG 150          2HG       ARG 150 -15.917  -2.696   4.626
 1194   2HG   ARG 150          1HG       ARG 150 -14.462  -1.743   4.353
 1195   1HD   ARG 150          2HD       ARG 150 -15.016  -1.478   6.636
 1196   2HD   ARG 150          1HD       ARG 150 -15.467   0.023   5.834
 1197    HE   ARG 150           HE       ARG 150 -17.611  -0.353   6.494
 1198   1HH1  ARG 150          1HH1      ARG 150 -15.923  -3.401   6.472
 1199   2HH1  ARG 150          2HH1      ARG 150 -17.264  -4.294   7.110
 1200   1HH2  ARG 150          1HH2      ARG 150 -19.377  -1.520   7.339
 1201   2HH2  ARG 150          2HH2      ARG 150 -19.226  -3.224   7.601
 1202    H    ALA 151           H        ALA 151 -17.277  -0.819   1.059
 1203    HA   ALA 151           HA       ALA 151 -17.842   0.471  -0.715
 1204   1HB   ALA 151          1HB       ALA 151 -20.102   0.912  -1.047
 1205   2HB   ALA 151          2HB       ALA 151 -20.401   1.177   0.671
 1206   3HB   ALA 151          3HB       ALA 151 -20.107  -0.454   0.069
 1207    H    PHE 152           H        PHE 152 -16.264   1.758   1.235
 1208    HA   PHE 152           HA       PHE 152 -17.344   4.463   1.226
 1209   1HB   PHE 152          2HB       PHE 152 -15.607   4.889   2.995
 1210   2HB   PHE 152          1HB       PHE 152 -16.890   3.768   3.401
 1211    HD1  PHE 152           1HD      PHE 152 -15.405   3.193   5.308
 1212    HD2  PHE 152           2HD      PHE 152 -14.362   2.340   1.273
 1213    HE1  PHE 152           1HE      PHE 152 -13.773   1.528   6.085
 1214    HE2  PHE 152           2HE      PHE 152 -12.728   0.679   2.045
 1215    HZ   PHE 152           HZ       PHE 152 -12.431   0.269   4.452
 1216    H    ASP 153           H        ASP 153 -16.801   5.092  -0.834
 1217    HA   ASP 153           HA       ASP 153 -14.116   4.918  -1.842
 1218   1HB   ASP 153          2HB       ASP 153 -16.444   6.593  -2.819
 1219   2HB   ASP 153          1HB       ASP 153 -14.967   6.248  -3.714
 1220    H    LYS 154           H        LYS 154 -14.191   6.075   0.673
 1221    HA   LYS 154           HA       LYS 154 -14.267   8.853   0.793
 1222   1HB   LYS 154          2HB       LYS 154 -12.670   6.877   2.423
 1223   2HB   LYS 154          1HB       LYS 154 -12.934   8.561   2.862
 1224   1HG   LYS 154          2HG       LYS 154 -15.373   8.110   2.906
 1225   2HG   LYS 154          1HG       LYS 154 -15.024   6.409   2.597
 1226   1HD   LYS 154          2HD       LYS 154 -14.029   7.985   4.972
 1227   2HD   LYS 154          1HD       LYS 154 -15.400   6.874   4.990
 1228   1HE   LYS 154          2HE       LYS 154 -13.919   5.027   4.382
 1229   2HE   LYS 154          1HE       LYS 154 -12.548   6.135   4.332
 1230   1HZ   LYS 154          1HZ       LYS 154 -12.277   5.883   6.501
 1231   2HZ   LYS 154          2HZ       LYS 154 -13.532   4.747   6.528
 1232   3HZ   LYS 154          3HZ       LYS 154 -13.865   6.383   6.811
 1233    H    LEU 155           H        LEU 155 -11.850   9.550   1.980
 1234    HA   LEU 155           HA       LEU 155  -9.883  10.536   1.496
 1235   1HB   LEU 155          2HB       LEU 155  -9.488   8.188  -0.360
 1236   2HB   LEU 155          1HB       LEU 155  -8.235   9.251   0.246
 1237    HG   LEU 155           HG       LEU 155  -9.695   7.052   1.655
 1238   1HD1  LEU 155          1HD1      LEU 155  -7.639   6.349   0.901
 1239   2HD1  LEU 155          2HD1      LEU 155  -7.283   6.840   2.557
 1240   3HD1  LEU 155          3HD1      LEU 155  -6.871   7.905   1.215
 1241   1HD2  LEU 155          1HD2      LEU 155 -10.146   8.673   3.253
 1242   2HD2  LEU 155          2HD2      LEU 155  -8.660   9.563   2.918
 1243   3HD2  LEU 155          3HD2      LEU 155  -8.592   8.027   3.782
 1244    H    ASN 156           H        ASN 156 -11.180  12.220   0.495
 1245    HA   ASN 156           HA       ASN 156 -11.787  12.388  -2.218
 1246   1HB   ASN 156          2HB       ASN 156 -12.762  13.982  -0.776
 1247   2HB   ASN 156          1HB       ASN 156 -11.200  14.479  -0.133
 1248   1HD2  ASN 156          1HD2      ASN 156 -10.485  16.328  -0.841
 1249   2HD2  ASN 156          2HD2      ASN 156 -10.862  17.062  -2.357
 1250    H    LYS 157           H        LYS 157 -10.639  12.756  -3.989
 1251    HA   LYS 157           HA       LYS 157  -7.965  12.397  -4.240
 1252   1HB   LYS 157          2HB       LYS 157  -9.846  14.007  -5.940
 1253   2HB   LYS 157          1HB       LYS 157  -8.161  13.786  -6.386
 1254   1HG   LYS 157          2HG       LYS 157  -8.460  11.388  -6.468
 1255   2HG   LYS 157          1HG       LYS 157 -10.126  11.554  -5.921
 1256   1HD   LYS 157          2HD       LYS 157  -9.024  12.714  -8.478
 1257   2HD   LYS 157          1HD       LYS 157  -9.940  11.211  -8.365
 1258   1HE   LYS 157          2HE       LYS 157 -11.851  12.458  -7.462
 1259   2HE   LYS 157          1HE       LYS 157 -10.930  13.956  -7.597
 1260   1HZ   LYS 157          1HZ       LYS 157 -12.518  13.494  -9.455
 1261   2HZ   LYS 157          2HZ       LYS 157 -11.521  12.210  -9.918
 1262   3HZ   LYS 157          3HZ       LYS 157 -10.925  13.794  -9.938
 1263    H    TRP 158           H        TRP 158  -6.123  13.541  -4.231
 1264    HA   TRP 158           HA       TRP 158  -5.534  15.504  -2.515
 1265   1HB   TRP 158          2HB       TRP 158  -3.910  14.244  -3.927
 1266   2HB   TRP 158          1HB       TRP 158  -4.310  15.301  -5.274
 1267    HD1  TRP 158           HD       TRP 158  -2.827  17.381  -5.526
 1268    HE1  TRP 158           1HE      TRP 158  -1.121  18.608  -4.041
 1269    HE3  TRP 158           3HE      TRP 158  -3.480  14.744  -1.195
 1270    HZ2  TRP 158           2HZ      TRP 158  -0.171  18.470  -1.384
 1271    HZ3  TRP 158           3HZ      TRP 158  -2.132  15.350   0.770
 1272    HH2  TRP 158           HH       TRP 158  -0.511  17.173   0.677
  Start of MODEL   17
    1   1H    THR   1          1HT       THR   1   2.797 -13.774  -8.785
    2   2H    THR   1          2HT       THR   1   2.363 -12.490  -9.795
    3   3H    THR   1          3HT       THR   1   1.539 -13.963  -9.899
    4    HA   THR   1           HA       THR   1   0.049 -13.203  -8.485
    5    HB   THR   1           HB       THR   1   2.421 -12.995  -6.608
    6    HG1  THR   1           1HG      THR   1   0.697 -15.153  -7.239
    7   1HG2  THR   1          1HG2      THR   1   0.714 -12.023  -5.395
    8   2HG2  THR   1          2HG2      THR   1   0.602 -13.723  -4.939
    9   3HG2  THR   1          3HG2      THR   1  -0.523 -13.050  -6.117
   10    H    VAL   2           H        VAL   2  -0.870 -11.343  -7.406
   11    HA   VAL   2           HA       VAL   2   0.332  -8.851  -8.354
   12    HB   VAL   2           HB       VAL   2  -2.436  -9.418  -7.286
   13   1HG1  VAL   2          1HG1      VAL   2  -2.186  -6.927  -8.682
   14   2HG1  VAL   2          2HG1      VAL   2  -1.050  -6.977  -7.334
   15   3HG1  VAL   2          3HG1      VAL   2  -2.771  -7.236  -7.047
   16   1HG2  VAL   2          1HG2      VAL   2  -1.244  -9.228  -9.996
   17   2HG2  VAL   2          2HG2      VAL   2  -2.862  -8.569  -9.756
   18   3HG2  VAL   2          3HG2      VAL   2  -2.541 -10.266  -9.397
   19    H    ALA   3           H        ALA   3   0.861  -7.151  -7.055
   20    HA   ALA   3           HA       ALA   3   0.849  -7.675  -4.158
   21   1HB   ALA   3          1HB       ALA   3   2.914  -6.763  -3.960
   22   2HB   ALA   3          2HB       ALA   3   2.640  -5.589  -5.247
   23   3HB   ALA   3          3HB       ALA   3   3.037  -7.260  -5.647
   24    H    TYR   4           H        TYR   4  -0.995  -6.748  -3.488
   25    HA   TYR   4           HA       TYR   4  -1.904  -4.179  -4.456
   26   1HB   TYR   4          2HB       TYR   4  -2.953  -5.848  -2.171
   27   2HB   TYR   4          1HB       TYR   4  -3.787  -4.535  -2.992
   28    HD1  TYR   4           1HD      TYR   4  -2.333  -7.916  -3.616
   29    HD2  TYR   4           2HD      TYR   4  -5.186  -4.993  -4.795
   30    HE1  TYR   4           1HE      TYR   4  -3.301  -9.517  -5.203
   31    HE2  TYR   4           2HE      TYR   4  -6.162  -6.590  -6.386
   32    HH   TYR   4           HH       TYR   4  -5.327  -8.664  -7.666
   33    H    ILE   5           H        ILE   5   0.056  -3.015  -3.803
   34    HA   ILE   5           HA       ILE   5   0.635  -2.762  -0.985
   35    HB   ILE   5           HB       ILE   5   1.808  -1.138  -3.234
   36   1HG1  ILE   5          2HG1      ILE   5   2.731  -3.813  -2.161
   37   2HG1  ILE   5          1HG1      ILE   5   2.005  -3.539  -3.741
   38   1HG2  ILE   5          1HG2      ILE   5   2.095  -0.696  -0.636
   39   2HG2  ILE   5          2HG2      ILE   5   3.429  -0.482  -1.770
   40   3HG2  ILE   5          3HG2      ILE   5   3.314  -1.960  -0.811
   41   1HD1  ILE   5          1HD1      ILE   5   4.708  -3.505  -3.097
   42   2HD1  ILE   5          2HD1      ILE   5   4.274  -1.814  -3.348
   43   3HD1  ILE   5          3HD1      ILE   5   3.965  -3.002  -4.615
   44    H    ALA   6           H        ALA   6   0.614  -0.831   0.203
   45    HA   ALA   6           HA       ALA   6  -1.268   1.219  -0.777
   46   1HB   ALA   6          1HB       ALA   6  -1.288  -0.345   1.657
   47   2HB   ALA   6          2HB       ALA   6  -2.533   0.707   0.986
   48   3HB   ALA   6          3HB       ALA   6  -1.259   1.384   2.000
   49    H    ILE   7           H        ILE   7   0.007   2.862  -1.404
   50    HA   ILE   7           HA       ILE   7   2.433   3.515   0.052
   51    HB   ILE   7           HB       ILE   7   1.216   4.791  -2.400
   52   1HG1  ILE   7          2HG1      ILE   7   3.547   2.878  -2.147
   53   2HG1  ILE   7          1HG1      ILE   7   1.931   2.421  -2.671
   54   1HG2  ILE   7          1HG2      ILE   7   3.903   5.355  -2.412
   55   2HG2  ILE   7          2HG2      ILE   7   3.470   5.534  -0.709
   56   3HG2  ILE   7          3HG2      ILE   7   2.617   6.467  -1.939
   57   1HD1  ILE   7          1HD1      ILE   7   3.882   2.976  -4.371
   58   2HD1  ILE   7          2HD1      ILE   7   3.267   4.613  -4.143
   59   3HD1  ILE   7          3HD1      ILE   7   2.193   3.339  -4.723
   60    H    GLY   8           H        GLY   8   2.806   5.313   1.270
   61   1HA   GLY   8          2HA       GLY   8   0.545   7.193   1.590
   62   2HA   GLY   8          1HA       GLY   8   1.427   6.577   2.981
   63    H    SER   9           H        SER   9   1.092   9.359   1.893
   64    HA   SER   9           HA       SER   9   3.825  10.155   2.240
   65   1HB   SER   9          2HB       SER   9   2.535  10.712  -0.433
   66   2HB   SER   9          1HB       SER   9   4.140  11.219   0.079
   67    HG   SER   9           HG       SER   9   3.210   8.633  -0.549
   68    H    ASN  10           H        ASN  10   3.877  12.056   3.208
   69    HA   ASN  10           HA       ASN  10   2.268  14.274   2.618
   70   1HB   ASN  10          2HB       ASN  10   0.968  14.186   4.861
   71   2HB   ASN  10          1HB       ASN  10   0.369  13.234   3.505
   72   1HD2  ASN  10          1HD2      ASN  10   0.691  13.105   6.666
   73   2HD2  ASN  10          2HD2      ASN  10   0.992  11.419   6.914
   74    H    LEU  11           H        LEU  11   4.166  12.471   4.879
   75    HA   LEU  11           HA       LEU  11   4.846  14.479   6.694
   76   1HB   LEU  11          2HB       LEU  11   5.180  11.952   6.811
   77   2HB   LEU  11          1HB       LEU  11   6.614  12.197   5.844
   78    HG   LEU  11           HG       LEU  11   6.944  11.921   8.331
   79   1HD1  LEU  11          1HD1      LEU  11   8.153  14.522   7.790
   80   2HD1  LEU  11          2HD1      LEU  11   8.360  13.354   6.484
   81   3HD1  LEU  11          3HD1      LEU  11   8.908  12.963   8.114
   82   1HD2  LEU  11          1HD2      LEU  11   5.836  14.724   8.366
   83   2HD2  LEU  11          2HD2      LEU  11   6.623  13.913   9.719
   84   3HD2  LEU  11          3HD2      LEU  11   5.094  13.300   9.092
   85    H    ALA  12           H        ALA  12   5.620  14.214   3.420
   86    HA   ALA  12           HA       ALA  12   7.122  16.585   3.374
   87   1HB   ALA  12          1HB       ALA  12   8.927  14.343   2.617
   88   2HB   ALA  12          2HB       ALA  12   8.759  14.764   4.321
   89   3HB   ALA  12          3HB       ALA  12   9.317  15.974   3.166
   90    H    SER  13           H        SER  13   5.538  16.916   1.752
   91    HA   SER  13           HA       SER  13   4.795  17.088  -0.394
   92   1HB   SER  13          2HB       SER  13   7.165  17.635  -0.861
   93   2HB   SER  13          1HB       SER  13   7.496  15.923  -1.109
   94    HG   SER  13           HG       SER  13   5.819  17.608  -2.647
   95    HA   PRO  14           HA       PRO  14   3.327  12.709  -0.300
   96   1HB   PRO  14          2HB       PRO  14   1.009  14.099  -1.518
   97   2HB   PRO  14          1HB       PRO  14   1.060  12.925  -0.199
   98   1HG   PRO  14          2HG       PRO  14   0.623  15.508   0.286
   99   2HG   PRO  14          1HG       PRO  14   1.613  14.525   1.380
  100   1HD   PRO  14          2HD       PRO  14   2.468  16.527  -0.665
  101   2HD   PRO  14          1HD       PRO  14   3.144  16.198   0.944
  102    H    LEU  15           H        LEU  15   4.033  14.902  -2.782
  103    HA   LEU  15           HA       LEU  15   3.065  13.251  -4.946
  104   1HB   LEU  15          2HB       LEU  15   3.027  15.688  -5.111
  105   2HB   LEU  15          1HB       LEU  15   4.772  15.734  -4.965
  106    HG   LEU  15           HG       LEU  15   4.971  14.508  -7.098
  107   1HD1  LEU  15          1HD1      LEU  15   2.314  13.858  -6.660
  108   2HD1  LEU  15          2HD1      LEU  15   3.250  13.539  -8.121
  109   3HD1  LEU  15          3HD1      LEU  15   2.268  14.998  -8.006
  110   1HD2  LEU  15          1HD2      LEU  15   3.526  16.521  -8.321
  111   2HD2  LEU  15          2HD2      LEU  15   5.209  16.607  -7.802
  112   3HD2  LEU  15          3HD2      LEU  15   3.926  17.190  -6.740
  113    H    GLU  16           H        GLU  16   6.308  14.483  -4.104
  114    HA   GLU  16           HA       GLU  16   7.712  12.851  -5.876
  115   1HB   GLU  16          2HB       GLU  16   8.502  14.278  -3.362
  116   2HB   GLU  16          1HB       GLU  16   9.669  13.448  -4.382
  117   1HG   GLU  16          2HG       GLU  16   7.848  15.639  -5.337
  118   2HG   GLU  16          1HG       GLU  16   9.497  15.901  -4.776
  119    H    GLN  17           H        GLN  17   6.522  12.141  -2.670
  120    HA   GLN  17           HA       GLN  17   8.312  10.004  -2.114
  121   1HB   GLN  17          2HB       GLN  17   5.524  10.147  -1.018
  122   2HB   GLN  17          1HB       GLN  17   6.983   9.549  -0.244
  123   1HG   GLN  17          2HG       GLN  17   6.350  12.421  -0.859
  124   2HG   GLN  17          1HG       GLN  17   6.255  11.653   0.721
  125   1HE2  GLN  17          1HE2      GLN  17   7.870  12.111   1.975
  126   2HE2  GLN  17          2HE2      GLN  17   9.501  12.423   1.494
  127    H    VAL  18           H        VAL  18   5.319  10.243  -3.883
  128    HA   VAL  18           HA       VAL  18   5.011   7.357  -4.034
  129    HB   VAL  18           HB       VAL  18   3.346   9.546  -5.279
  130   1HG1  VAL  18          1HG1      VAL  18   1.753   7.333  -5.069
  131   2HG1  VAL  18          2HG1      VAL  18   3.308   6.630  -5.519
  132   3HG1  VAL  18          3HG1      VAL  18   2.569   7.863  -6.541
  133   1HG2  VAL  18          1HG2      VAL  18   3.561   8.960  -2.626
  134   2HG2  VAL  18          2HG2      VAL  18   2.217   7.927  -3.115
  135   3HG2  VAL  18          3HG2      VAL  18   2.139   9.668  -3.393
  136    H    ASN  19           H        ASN  19   5.770  10.054  -6.220
  137    HA   ASN  19           HA       ASN  19   5.681   8.768  -8.644
  138   1HB   ASN  19          2HB       ASN  19   7.581  10.900  -7.682
  139   2HB   ASN  19          1HB       ASN  19   7.513  10.362  -9.355
  140   1HD2  ASN  19          1HD2      ASN  19   6.550  12.726  -7.396
  141   2HD2  ASN  19          2HD2      ASN  19   5.082  13.202  -8.169
  142    H    ALA  20           H        ALA  20   8.627   9.052  -6.634
  143    HA   ALA  20           HA       ALA  20  10.067   7.214  -8.286
  144   1HB   ALA  20          1HB       ALA  20  11.830   7.400  -6.586
  145   2HB   ALA  20          2HB       ALA  20  10.723   8.306  -5.554
  146   3HB   ALA  20          3HB       ALA  20  11.233   8.977  -7.104
  147    H    ALA  21           H        ALA  21   7.927   6.859  -5.627
  148    HA   ALA  21           HA       ALA  21   8.939   4.431  -4.569
  149   1HB   ALA  21          1HB       ALA  21   6.162   4.523  -4.114
  150   2HB   ALA  21          2HB       ALA  21   6.747   6.186  -4.057
  151   3HB   ALA  21          3HB       ALA  21   7.464   4.960  -3.007
  152    H    LEU  22           H        LEU  22   6.236   5.075  -6.817
  153    HA   LEU  22           HA       LEU  22   5.887   2.246  -7.294
  154   1HB   LEU  22          2HB       LEU  22   4.097   2.986  -8.851
  155   2HB   LEU  22          1HB       LEU  22   3.900   3.543  -7.203
  156    HG   LEU  22           HG       LEU  22   4.932   5.749  -7.991
  157   1HD1  LEU  22          1HD1      LEU  22   5.273   4.308 -10.357
  158   2HD1  LEU  22          2HD1      LEU  22   5.524   6.036 -10.108
  159   3HD1  LEU  22          3HD1      LEU  22   3.965   5.445 -10.682
  160   1HD2  LEU  22          1HD2      LEU  22   2.251   4.868  -9.053
  161   2HD2  LEU  22          2HD2      LEU  22   2.778   6.541  -8.859
  162   3HD2  LEU  22          3HD2      LEU  22   2.583   5.508  -7.442
  163    H    LYS  23           H        LYS  23   7.643   4.819  -8.746
  164    HA   LYS  23           HA       LYS  23   7.786   3.651 -11.366
  165   1HB   LYS  23          2HB       LYS  23   8.056   6.131 -10.722
  166   2HB   LYS  23          1HB       LYS  23   9.693   5.701 -10.253
  167   1HG   LYS  23          2HG       LYS  23   8.575   5.216 -13.003
  168   2HG   LYS  23          1HG       LYS  23   9.441   6.682 -12.542
  169   1HD   LYS  23          2HD       LYS  23  11.396   5.308 -11.944
  170   2HD   LYS  23          1HD       LYS  23  10.523   3.866 -12.466
  171   1HE   LYS  23          2HE       LYS  23  12.049   4.654 -14.202
  172   2HE   LYS  23          1HE       LYS  23  10.370   4.766 -14.727
  173   1HZ   LYS  23          1HZ       LYS  23  12.302   6.816 -14.522
  174   2HZ   LYS  23          2HZ       LYS  23  10.986   7.185 -13.527
  175   3HZ   LYS  23          3HZ       LYS  23  10.744   6.889 -15.175
  176    H    ALA  24           H        ALA  24   9.891   3.792  -8.523
  177    HA   ALA  24           HA       ALA  24  12.093   2.459  -9.692
  178   1HB   ALA  24          1HB       ALA  24  12.641   3.652  -7.791
  179   2HB   ALA  24          2HB       ALA  24  12.645   1.987  -7.207
  180   3HB   ALA  24          3HB       ALA  24  11.263   3.034  -6.880
  181    H    LEU  25           H        LEU  25   9.055   1.292  -8.665
  182    HA   LEU  25           HA       LEU  25   9.856  -1.326  -7.865
  183   1HB   LEU  25          2HB       LEU  25   7.195  -0.309  -8.877
  184   2HB   LEU  25          1HB       LEU  25   7.457  -1.899  -8.186
  185    HG   LEU  25           HG       LEU  25   7.834   0.719  -6.725
  186   1HD1  LEU  25          1HD1      LEU  25   5.493  -0.823  -7.275
  187   2HD1  LEU  25          2HD1      LEU  25   5.651   0.670  -6.349
  188   3HD1  LEU  25          3HD1      LEU  25   5.845  -0.888  -5.547
  189   1HD2  LEU  25          1HD2      LEU  25   8.145  -2.153  -5.886
  190   2HD2  LEU  25          2HD2      LEU  25   7.906  -0.840  -4.731
  191   3HD2  LEU  25          3HD2      LEU  25   9.328  -0.847  -5.777
  192    H    GLY  26           H        GLY  26   9.287   0.211 -10.922
  193   1HA   GLY  26          2HA       GLY  26   8.830  -2.084 -12.502
  194   2HA   GLY  26          1HA       GLY  26   9.476  -0.552 -13.082
  195    H    ASP  27           H        ASP  27  11.574  -1.023 -10.837
  196    HA   ASP  27           HA       ASP  27  13.402  -2.573 -12.530
  197   1HB   ASP  27          2HB       ASP  27  14.089  -0.266 -11.994
  198   2HB   ASP  27          1HB       ASP  27  13.996  -0.637 -10.274
  199    H    ILE  28           H        ILE  28  11.741  -2.571  -9.521
  200    HA   ILE  28           HA       ILE  28  13.278  -4.092  -7.842
  201    HB   ILE  28           HB       ILE  28  10.293  -4.192  -8.263
  202   1HG1  ILE  28          2HG1      ILE  28  11.190  -2.048  -7.489
  203   2HG1  ILE  28          1HG1      ILE  28  10.243  -2.824  -6.224
  204   1HG2  ILE  28          1HG2      ILE  28  11.942  -5.485  -6.098
  205   2HG2  ILE  28          2HG2      ILE  28  10.869  -6.279  -7.252
  206   3HG2  ILE  28          3HG2      ILE  28  10.199  -5.236  -5.999
  207   1HD1  ILE  28          1HD1      ILE  28  12.027  -2.163  -4.997
  208   2HD1  ILE  28          2HD1      ILE  28  13.146  -2.269  -6.355
  209   3HD1  ILE  28          3HD1      ILE  28  12.629  -3.735  -5.523
  210    HA   PRO  29           HA       PRO  29  14.018  -7.943  -9.856
  211   1HB   PRO  29          2HB       PRO  29  14.086  -9.093  -7.127
  212   2HB   PRO  29          1HB       PRO  29  15.342  -9.068  -8.371
  213   1HG   PRO  29          2HG       PRO  29  15.531  -7.509  -6.217
  214   2HG   PRO  29          1HG       PRO  29  16.034  -6.920  -7.813
  215   1HD   PRO  29          2HD       PRO  29  13.496  -6.378  -6.310
  216   2HD   PRO  29          1HD       PRO  29  14.516  -5.244  -7.223
  217    H    GLU  30           H        GLU  30  12.621  -9.272 -10.777
  218    HA   GLU  30           HA       GLU  30  10.775 -10.531 -11.190
  219   1HB   GLU  30          2HB       GLU  30  11.056 -11.180  -8.251
  220   2HB   GLU  30          1HB       GLU  30  10.094 -12.091  -9.409
  221   1HG   GLU  30          2HG       GLU  30  13.060 -11.683  -9.647
  222   2HG   GLU  30          1HG       GLU  30  12.317 -13.083  -8.874
  223    H    SER  31           H        SER  31  10.290  -7.813 -10.632
  224    HA   SER  31           HA       SER  31   7.502  -7.999  -9.796
  225   1HB   SER  31          2HB       SER  31   9.425  -5.983  -8.609
  226   2HB   SER  31          1HB       SER  31   7.681  -6.011  -8.351
  227    HG   SER  31           HG       SER  31   9.541  -8.020  -7.598
  228    H    HIS  32           H        HIS  32   6.245  -6.941 -11.179
  229    HA   HIS  32           HA       HIS  32   7.291  -4.593 -12.579
  230   1HB   HIS  32          2HB       HIS  32   6.047  -6.949 -14.013
  231   2HB   HIS  32          1HB       HIS  32   6.527  -5.429 -14.753
  232    HD1  HIS  32           1HD      HIS  32   8.237  -8.148 -12.702
  233    HD2  HIS  32           2HD      HIS  32   8.959  -5.609 -15.910
  234    HE1  HIS  32           1HE      HIS  32  10.546  -8.729 -13.510
  235    HE2  HIS  32           2HE      HIS  32  10.997  -7.117 -15.395
  236    H    ILE  33           H        ILE  33   5.869  -3.059 -12.060
  237    HA   ILE  33           HA       ILE  33   3.232  -3.527 -11.235
  238    HB   ILE  33           HB       ILE  33   4.696  -1.054 -12.084
  239   1HG1  ILE  33          2HG1      ILE  33   3.434  -1.974  -9.497
  240   2HG1  ILE  33          1HG1      ILE  33   5.150  -2.027  -9.884
  241   1HG2  ILE  33          1HG2      ILE  33   1.826  -1.412 -12.099
  242   2HG2  ILE  33          2HG2      ILE  33   2.792  -0.032 -12.620
  243   3HG2  ILE  33          3HG2      ILE  33   2.322  -0.188 -10.929
  244   1HD1  ILE  33          1HD1      ILE  33   5.293   0.354  -9.887
  245   2HD1  ILE  33          2HD1      ILE  33   4.474  -0.144  -8.407
  246   3HD1  ILE  33          3HD1      ILE  33   3.542   0.511  -9.753
  247    H    LEU  34           H        LEU  34   1.348  -3.656 -12.230
  248    HA   LEU  34           HA       LEU  34   1.318  -3.509 -15.162
  249   1HB   LEU  34          2HB       LEU  34   0.736  -5.680 -14.233
  250   2HB   LEU  34          1HB       LEU  34  -0.506  -4.949 -13.235
  251    HG   LEU  34           HG       LEU  34  -1.738  -4.308 -15.291
  252   1HD1  LEU  34          1HD1      LEU  34  -0.305  -6.160 -17.019
  253   2HD1  LEU  34          2HD1      LEU  34   0.654  -4.750 -16.569
  254   3HD1  LEU  34          3HD1      LEU  34  -0.914  -4.538 -17.350
  255   1HD2  LEU  34          1HD2      LEU  34  -2.587  -6.236 -14.351
  256   2HD2  LEU  34          2HD2      LEU  34  -1.114  -7.157 -14.651
  257   3HD2  LEU  34          3HD2      LEU  34  -2.198  -6.771 -15.986
  258    H    THR  35           H        THR  35  -1.023  -3.002 -12.501
  259    HA   THR  35           HA       THR  35  -2.047  -0.669 -13.993
  260    HB   THR  35           HB       THR  35  -4.234  -1.113 -12.934
  261    HG1  THR  35           1HG      THR  35  -3.984  -2.252 -11.161
  262   1HG2  THR  35          1HG2      THR  35  -3.978  -3.759 -13.967
  263   2HG2  THR  35          2HG2      THR  35  -3.083  -2.632 -14.988
  264   3HG2  THR  35          3HG2      THR  35  -4.795  -2.360 -14.664
  265    H    VAL  36           H        VAL  36  -2.474   1.213 -12.881
  266    HA   VAL  36           HA       VAL  36  -1.709   1.270 -10.035
  267    HB   VAL  36           HB       VAL  36  -1.011   3.393 -12.071
  268   1HG1  VAL  36          1HG1      VAL  36  -1.311   4.377  -9.918
  269   2HG1  VAL  36          2HG1      VAL  36   0.424   4.253 -10.212
  270   3HG1  VAL  36          3HG1      VAL  36  -0.374   3.100  -9.141
  271   1HG2  VAL  36          1HG2      VAL  36   1.321   2.311 -10.967
  272   2HG2  VAL  36          2HG2      VAL  36   0.735   2.134 -12.620
  273   3HG2  VAL  36          3HG2      VAL  36   0.313   0.930 -11.402
  274    H    SER  37           H        SER  37  -2.780   2.764  -8.731
  275    HA   SER  37           HA       SER  37  -5.365   3.631  -9.748
  276   1HB   SER  37          2HB       SER  37  -5.917   4.065  -7.401
  277   2HB   SER  37          1HB       SER  37  -5.223   2.455  -7.568
  278    HG   SER  37           HG       SER  37  -4.302   4.605  -6.175
  279    H    SER  38           H        SER  38  -5.899   5.844  -8.194
  280    HA   SER  38           HA       SER  38  -4.150   7.836  -9.440
  281   1HB   SER  38          2HB       SER  38  -6.883   8.136  -8.169
  282   2HB   SER  38          1HB       SER  38  -5.971   9.438  -8.936
  283    HG   SER  38           HG       SER  38  -7.651   8.085 -10.172
  284    H    PHE  39           H        PHE  39  -4.462  10.013  -7.866
  285    HA   PHE  39           HA       PHE  39  -3.225   9.153  -5.337
  286   1HB   PHE  39          2HB       PHE  39  -2.946  11.880  -6.612
  287   2HB   PHE  39          1HB       PHE  39  -2.026  11.229  -5.269
  288    HD1  PHE  39           1HD      PHE  39   0.086  10.404  -5.680
  289    HD2  PHE  39           2HD      PHE  39  -2.759  10.480  -8.843
  290    HE1  PHE  39           1HE      PHE  39   1.810   9.608  -7.245
  291    HE2  PHE  39           2HE      PHE  39  -1.041   9.683 -10.414
  292    HZ   PHE  39           HZ       PHE  39   1.274   9.253  -9.590
  293    H    TYR  40           H        TYR  40  -4.700   9.159  -3.784
  294    HA   TYR  40           HA       TYR  40  -6.739  11.268  -3.781
  295   1HB   TYR  40          2HB       TYR  40  -6.696   8.649  -2.264
  296   2HB   TYR  40          1HB       TYR  40  -8.021   9.808  -2.286
  297    HD1  TYR  40           1HD      TYR  40  -5.960   7.756  -4.630
  298    HD2  TYR  40           2HD      TYR  40  -9.766   9.466  -3.788
  299    HE1  TYR  40           1HE      TYR  40  -6.902   6.620  -6.598
  300    HE2  TYR  40           2HE      TYR  40 -10.715   8.331  -5.749
  301    HH   TYR  40           HH       TYR  40  -8.965   5.923  -7.511
  302    H    ARG  41           H        ARG  41  -6.661  12.844  -2.331
  303    HA   ARG  41           HA       ARG  41  -4.643  12.769  -0.257
  304   1HB   ARG  41          2HB       ARG  41  -4.987  14.822  -1.591
  305   2HB   ARG  41          1HB       ARG  41  -6.622  14.947  -0.958
  306   1HG   ARG  41          2HG       ARG  41  -4.338  14.841   0.949
  307   2HG   ARG  41          1HG       ARG  41  -4.665  16.339   0.077
  308   1HD   ARG  41          2HD       ARG  41  -6.667  14.826   1.754
  309   2HD   ARG  41          1HD       ARG  41  -5.767  16.245   2.288
  310    HE   ARG  41           HE       ARG  41  -7.113  16.877  -0.086
  311   1HH1  ARG  41          1HH1      ARG  41  -7.806  16.118   3.246
  312   2HH1  ARG  41          2HH1      ARG  41  -9.260  17.058   3.290
  313   1HH2  ARG  41          1HH2      ARG  41  -9.026  18.116  -0.033
  314   2HH2  ARG  41          2HH2      ARG  41  -9.954  18.191   1.427
  315    H    THR  42           H        THR  42  -5.036  12.723   1.930
  316    HA   THR  42           HA       THR  42  -7.691  12.812   3.011
  317    HB   THR  42           HB       THR  42  -7.995  10.633   2.281
  318    HG1  THR  42           1HG      THR  42  -7.266   9.289   4.234
  319   1HG2  THR  42          1HG2      THR  42  -5.972  10.023   1.299
  320   2HG2  THR  42          2HG2      THR  42  -6.223   8.850   2.593
  321   3HG2  THR  42          3HG2      THR  42  -5.087  10.179   2.816
  322    HA   PRO  43           HA       PRO  43  -5.448  13.794   6.683
  323   1HB   PRO  43          2HB       PRO  43  -7.057  12.851   8.652
  324   2HB   PRO  43          1HB       PRO  43  -7.455  14.281   7.696
  325   1HG   PRO  43          2HG       PRO  43  -8.441  11.471   7.401
  326   2HG   PRO  43          1HG       PRO  43  -9.346  12.991   7.295
  327   1HD   PRO  43          2HD       PRO  43  -8.537  11.606   5.104
  328   2HD   PRO  43          1HD       PRO  43  -8.687  13.378   5.123
  329    HA   PRO  44           HA       PRO  44  -3.107  10.018   7.372
  330   1HB   PRO  44          2HB       PRO  44  -1.507  11.730   9.157
  331   2HB   PRO  44          1HB       PRO  44  -1.007  10.820   7.723
  332   1HG   PRO  44          2HG       PRO  44  -1.172  13.485   7.676
  333   2HG   PRO  44          1HG       PRO  44  -1.627  12.505   6.272
  334   1HD   PRO  44          2HD       PRO  44  -3.389  13.793   8.329
  335   2HD   PRO  44          1HD       PRO  44  -3.574  13.741   6.564
  336    H    LEU  45           H        LEU  45  -2.298   8.844   9.326
  337    HA   LEU  45           HA       LEU  45  -3.802   9.469  11.755
  338   1HB   LEU  45          2HB       LEU  45  -3.864   6.823  10.309
  339   2HB   LEU  45          1HB       LEU  45  -4.475   7.081  11.931
  340    HG   LEU  45           HG       LEU  45  -5.533   8.452   9.456
  341   1HD1  LEU  45          1HD1      LEU  45  -6.348   5.979  10.913
  342   2HD1  LEU  45          2HD1      LEU  45  -6.270   6.290   9.178
  343   3HD1  LEU  45          3HD1      LEU  45  -7.573   6.985  10.141
  344   1HD2  LEU  45          1HD2      LEU  45  -5.847   8.980  12.265
  345   2HD2  LEU  45          2HD2      LEU  45  -7.391   8.518  11.548
  346   3HD2  LEU  45          3HD2      LEU  45  -6.479   9.871  10.880
  347    H    GLY  46           H        GLY  46  -1.958   9.940  12.869
  348   1HA   GLY  46          2HA       GLY  46  -0.630   8.027  14.278
  349   2HA   GLY  46          1HA       GLY  46   0.333   8.211  12.819
  350    HA   PRO  47           HA       PRO  47   1.749  11.611  15.470
  351   1HB   PRO  47          2HB       PRO  47   4.058  10.609  16.228
  352   2HB   PRO  47          1HB       PRO  47   2.554   9.985  16.896
  353   1HG   PRO  47          2HG       PRO  47   4.444   8.715  15.026
  354   2HG   PRO  47          1HG       PRO  47   3.195   7.966  16.035
  355   1HD   PRO  47          2HD       PRO  47   3.056   8.763  13.221
  356   2HD   PRO  47          1HD       PRO  47   1.922   7.762  14.159
  357    H    GLN  48           H        GLN  48   3.163  10.367  12.563
  358    HA   GLN  48           HA       GLN  48   5.573  11.715  12.530
  359   1HB   GLN  48          2HB       GLN  48   5.307  11.739   9.971
  360   2HB   GLN  48          1HB       GLN  48   5.399  10.205  10.810
  361   1HG   GLN  48          2HG       GLN  48   3.744  10.110   9.081
  362   2HG   GLN  48          1HG       GLN  48   2.972   9.980  10.648
  363   1HE2  GLN  48          1HE2      GLN  48   1.034  10.814  10.384
  364   2HE2  GLN  48          2HE2      GLN  48   0.686  12.362   9.706
  365    H    ASP  49           H        ASP  49   2.409  13.034  11.595
  366    HA   ASP  49           HA       ASP  49   2.960  15.618  12.389
  367   1HB   ASP  49          2HB       ASP  49   4.680  15.571  10.564
  368   2HB   ASP  49          1HB       ASP  49   3.370  15.371   9.404
  369    H    GLN  50           H        GLN  50   1.404  13.604  10.036
  370    HA   GLN  50           HA       GLN  50  -0.761  13.309   9.474
  371   1HB   GLN  50          2HB       GLN  50  -1.453  15.525  11.388
  372   2HB   GLN  50          1HB       GLN  50  -2.524  14.276  10.767
  373   1HG   GLN  50          2HG       GLN  50  -0.116  13.729  12.483
  374   2HG   GLN  50          1HG       GLN  50  -1.751  13.923  13.110
  375   1HE2  GLN  50          1HE2      GLN  50   0.518  11.783  11.943
  376   2HE2  GLN  50          2HE2      GLN  50  -0.469  10.396  11.804
  377    HA   PRO  51           HA       PRO  51  -0.413  17.533   7.128
  378   1HB   PRO  51          2HB       PRO  51   1.138  15.987   5.130
  379   2HB   PRO  51          1HB       PRO  51   1.434  17.608   5.769
  380   1HG   PRO  51          2HG       PRO  51   2.984  15.567   6.475
  381   2HG   PRO  51          1HG       PRO  51   2.515  16.798   7.661
  382   1HD   PRO  51          2HD       PRO  51   1.388  14.052   7.229
  383   2HD   PRO  51          1HD       PRO  51   1.825  14.857   8.748
  384    H    ASP  52           H        ASP  52  -0.268  16.647   4.172
  385    HA   ASP  52           HA       ASP  52  -3.039  15.724   4.041
  386   1HB   ASP  52          2HB       ASP  52  -1.263  16.906   1.894
  387   2HB   ASP  52          1HB       ASP  52  -2.955  16.461   1.684
  388    H    TYR  53           H        TYR  53  -2.515  13.544   4.589
  389    HA   TYR  53           HA       TYR  53  -0.693  11.900   3.325
  390   1HB   TYR  53          2HB       TYR  53  -1.646  11.142   5.320
  391   2HB   TYR  53          1HB       TYR  53  -3.285  11.425   4.758
  392    HD1  TYR  53           1HD      TYR  53  -4.363   9.426   4.905
  393    HD2  TYR  53           2HD      TYR  53  -0.492   9.526   3.179
  394    HE1  TYR  53           1HE      TYR  53  -4.584   7.047   4.306
  395    HE2  TYR  53           2HE      TYR  53  -0.693   7.147   2.567
  396    HH   TYR  53           HH       TYR  53  -3.254   5.160   3.748
  397    H    LEU  54           H        LEU  54  -0.506  11.458   1.259
  398    HA   LEU  54           HA       LEU  54  -2.909  11.192  -0.414
  399   1HB   LEU  54          2HB       LEU  54  -1.150  12.842  -1.094
  400   2HB   LEU  54          1HB       LEU  54  -0.029  11.508  -1.271
  401    HG   LEU  54           HG       LEU  54  -1.796  10.574  -2.936
  402   1HD1  LEU  54          1HD1      LEU  54  -3.430  11.911  -3.675
  403   2HD1  LEU  54          2HD1      LEU  54  -2.408  13.349  -3.632
  404   3HD1  LEU  54          3HD1      LEU  54  -3.186  12.777  -2.156
  405   1HD2  LEU  54          1HD2      LEU  54   0.302  12.633  -3.264
  406   2HD2  LEU  54          2HD2      LEU  54  -0.762  12.351  -4.643
  407   3HD2  LEU  54          3HD2      LEU  54   0.174  11.019  -3.963
  408    H    ASN  55           H        ASN  55  -3.552   9.133  -0.652
  409    HA   ASN  55           HA       ASN  55  -1.513   7.019  -0.570
  410   1HB   ASN  55          2HB       ASN  55  -3.377   6.853   1.062
  411   2HB   ASN  55          1HB       ASN  55  -4.513   6.758  -0.282
  412   1HD2  ASN  55          1HD2      ASN  55  -4.840   4.861  -1.267
  413   2HD2  ASN  55          2HD2      ASN  55  -4.031   3.390  -0.862
  414    H    ALA  56           H        ALA  56  -1.700   5.220  -2.042
  415    HA   ALA  56           HA       ALA  56  -3.393   5.349  -4.336
  416   1HB   ALA  56          1HB       ALA  56  -1.450   7.128  -4.606
  417   2HB   ALA  56          2HB       ALA  56  -2.041   6.181  -5.971
  418   3HB   ALA  56          3HB       ALA  56  -0.560   5.705  -5.142
  419    H    ALA  57           H        ALA  57  -3.840   3.194  -4.212
  420    HA   ALA  57           HA       ALA  57  -1.844   1.232  -3.646
  421   1HB   ALA  57          1HB       ALA  57  -4.717   1.299  -4.115
  422   2HB   ALA  57          2HB       ALA  57  -3.762   0.244  -3.072
  423   3HB   ALA  57          3HB       ALA  57  -3.938  -0.135  -4.784
  424    H    VAL  58           H        VAL  58  -1.631  -0.721  -5.233
  425    HA   VAL  58           HA       VAL  58  -1.838  -0.211  -8.017
  426    HB   VAL  58           HB       VAL  58  -0.032   1.305  -7.703
  427   1HG1  VAL  58          1HG1      VAL  58   0.732   0.295  -5.531
  428   2HG1  VAL  58          2HG1      VAL  58   2.022   0.802  -6.620
  429   3HG1  VAL  58          3HG1      VAL  58   1.605  -0.904  -6.484
  430   1HG2  VAL  58          1HG2      VAL  58   1.734   0.254  -9.096
  431   2HG2  VAL  58          2HG2      VAL  58   0.105   0.015  -9.725
  432   3HG2  VAL  58          3HG2      VAL  58   0.925  -1.298  -8.880
  433    H    ALA  59           H        ALA  59  -2.099  -2.128  -8.933
  434    HA   ALA  59           HA       ALA  59  -1.411  -4.535  -7.534
  435   1HB   ALA  59          1HB       ALA  59  -3.151  -3.776  -9.658
  436   2HB   ALA  59          2HB       ALA  59  -3.121  -5.279  -8.736
  437   3HB   ALA  59          3HB       ALA  59  -2.148  -5.124 -10.197
  438    H    LEU  60           H        LEU  60   0.833  -4.520  -7.390
  439    HA   LEU  60           HA       LEU  60   2.540  -4.307  -9.667
  440   1HB   LEU  60          2HB       LEU  60   3.436  -3.678  -7.554
  441   2HB   LEU  60          1HB       LEU  60   2.973  -5.202  -6.825
  442    HG   LEU  60           HG       LEU  60   4.666  -6.361  -8.222
  443   1HD1  LEU  60          1HD1      LEU  60   6.059  -5.302  -9.697
  444   2HD1  LEU  60          2HD1      LEU  60   5.876  -3.731  -8.918
  445   3HD1  LEU  60          3HD1      LEU  60   4.580  -4.370  -9.930
  446   1HD2  LEU  60          1HD2      LEU  60   5.549  -5.994  -6.155
  447   2HD2  LEU  60          2HD2      LEU  60   5.345  -4.246  -6.252
  448   3HD2  LEU  60          3HD2      LEU  60   6.667  -5.029  -7.117
  449    H    GLU  61           H        GLU  61   2.745  -5.827 -11.188
  450    HA   GLU  61           HA       GLU  61   1.930  -8.549 -10.682
  451   1HB   GLU  61          2HB       GLU  61   1.606  -7.313 -12.873
  452   2HB   GLU  61          1HB       GLU  61   3.339  -7.449 -13.119
  453   1HG   GLU  61          2HG       GLU  61   3.168  -9.884 -13.069
  454   2HG   GLU  61          1HG       GLU  61   1.425  -9.753 -12.834
  455    H    THR  62           H        THR  62   3.349  -9.265  -9.107
  456    HA   THR  62           HA       THR  62   6.125  -9.626 -10.009
  457    HB   THR  62           HB       THR  62   6.230  -7.942  -8.350
  458    HG1  THR  62           1HG      THR  62   6.838  -9.651  -6.449
  459   1HG2  THR  62          1HG2      THR  62   4.847  -9.540  -6.267
  460   2HG2  THR  62          2HG2      THR  62   3.878  -8.620  -7.420
  461   3HG2  THR  62          3HG2      THR  62   5.060  -7.795  -6.404
  462    H    SER  63           H        SER  63   7.211 -11.445  -9.311
  463    HA   SER  63           HA       SER  63   5.515 -13.610  -8.256
  464   1HB   SER  63          2HB       SER  63   6.152 -13.997 -10.618
  465   2HB   SER  63          1HB       SER  63   7.852 -13.841 -10.178
  466    HG   SER  63           HG       SER  63   6.033 -15.823  -9.273
  467    H    LEU  64           H        LEU  64   7.743 -11.471  -7.459
  468    HA   LEU  64           HA       LEU  64   9.897 -12.857  -6.345
  469   1HB   LEU  64          2HB       LEU  64   9.437 -10.312  -6.641
  470   2HB   LEU  64          1HB       LEU  64   8.699 -10.425  -5.056
  471    HG   LEU  64           HG       LEU  64  11.035  -9.606  -5.015
  472   1HD1  LEU  64          1HD1      LEU  64  11.298 -12.173  -3.624
  473   2HD1  LEU  64          2HD1      LEU  64   9.817 -11.281  -3.274
  474   3HD1  LEU  64          3HD1      LEU  64  11.388 -10.526  -3.003
  475   1HD2  LEU  64          1HD2      LEU  64  12.640 -11.771  -5.236
  476   2HD2  LEU  64          2HD2      LEU  64  12.378 -10.592  -6.521
  477   3HD2  LEU  64          3HD2      LEU  64  11.464 -12.099  -6.506
  478    H    ALA  65           H        ALA  65  10.275 -13.763  -4.345
  479    HA   ALA  65           HA       ALA  65   8.390 -15.286  -3.126
  480   1HB   ALA  65          1HB       ALA  65  10.929 -15.231  -2.785
  481   2HB   ALA  65          2HB       ALA  65   9.920 -15.704  -1.420
  482   3HB   ALA  65          3HB       ALA  65  10.594 -14.077  -1.496
  483    HA   PRO  66           HA       PRO  66   5.619 -12.555  -0.974
  484   1HB   PRO  66          2HB       PRO  66   4.678 -14.394   0.820
  485   2HB   PRO  66          1HB       PRO  66   4.100 -14.245  -0.841
  486   1HG   PRO  66          2HG       PRO  66   6.062 -16.170   0.327
  487   2HG   PRO  66          1HG       PRO  66   4.795 -16.456  -0.880
  488   1HD   PRO  66          2HD       PRO  66   7.387 -16.191  -1.562
  489   2HD   PRO  66          1HD       PRO  66   6.077 -15.604  -2.611
  490    H    GLU  67           H        GLU  67   8.408 -13.839   0.295
  491    HA   GLU  67           HA       GLU  67   7.947 -12.624   2.950
  492   1HB   GLU  67          2HB       GLU  67   9.771 -13.938   3.745
  493   2HB   GLU  67          1HB       GLU  67   8.816 -15.025   2.734
  494   1HG   GLU  67          2HG       GLU  67  10.336 -14.936   0.983
  495   2HG   GLU  67          1HG       GLU  67  11.088 -13.459   1.613
  496    H    GLU  68           H        GLU  68   9.896 -12.585   0.060
  497    HA   GLU  68           HA       GLU  68  11.585 -10.447   1.116
  498   1HB   GLU  68          2HB       GLU  68  12.649 -12.329  -0.058
  499   2HB   GLU  68          1HB       GLU  68  11.813 -11.857  -1.532
  500   1HG   GLU  68          2HG       GLU  68  12.968  -9.727  -1.545
  501   2HG   GLU  68          1HG       GLU  68  13.760 -10.124  -0.022
  502    H    LEU  69           H        LEU  69   9.008 -10.824  -1.249
  503    HA   LEU  69           HA       LEU  69   9.380  -8.724  -2.934
  504   1HB   LEU  69          2HB       LEU  69   7.513 -10.117  -3.266
  505   2HB   LEU  69          1HB       LEU  69   6.819  -9.708  -1.711
  506    HG   LEU  69           HG       LEU  69   6.445  -7.392  -2.541
  507   1HD1  LEU  69          1HD1      LEU  69   6.644  -6.912  -4.906
  508   2HD1  LEU  69          2HD1      LEU  69   7.275  -8.531  -5.207
  509   3HD1  LEU  69          3HD1      LEU  69   8.211  -7.384  -4.250
  510   1HD2  LEU  69          1HD2      LEU  69   4.444  -7.908  -3.527
  511   2HD2  LEU  69          2HD2      LEU  69   4.841  -9.454  -2.778
  512   3HD2  LEU  69          3HD2      LEU  69   5.132  -9.208  -4.500
  513    H    LEU  70           H        LEU  70   7.288  -8.339  -0.033
  514    HA   LEU  70           HA       LEU  70   7.268  -5.527  -0.195
  515   1HB   LEU  70          2HB       LEU  70   5.791  -6.870   1.299
  516   2HB   LEU  70          1HB       LEU  70   7.171  -7.150   2.341
  517    HG   LEU  70           HG       LEU  70   7.329  -4.709   2.733
  518   1HD1  LEU  70          1HD1      LEU  70   6.230  -4.121   0.574
  519   2HD1  LEU  70          2HD1      LEU  70   5.633  -3.243   1.981
  520   3HD1  LEU  70          3HD1      LEU  70   4.693  -4.575   1.309
  521   1HD2  LEU  70          1HD2      LEU  70   6.030  -5.019   4.515
  522   2HD2  LEU  70          2HD2      LEU  70   5.602  -6.583   3.812
  523   3HD2  LEU  70          3HD2      LEU  70   4.579  -5.173   3.523
  524    H    ASN  71           H        ASN  71   9.352  -7.751   1.560
  525    HA   ASN  71           HA       ASN  71  11.016  -6.063   2.925
  526   1HB   ASN  71          2HB       ASN  71  11.215  -8.547   2.898
  527   2HB   ASN  71          1HB       ASN  71  11.943  -8.448   1.298
  528   1HD2  ASN  71          1HD2      ASN  71  12.835  -5.843   3.247
  529   2HD2  ASN  71          2HD2      ASN  71  14.379  -6.432   3.748
  530    H    HIS  72           H        HIS  72  10.902  -6.631  -0.543
  531    HA   HIS  72           HA       HIS  72  13.262  -5.100  -1.136
  532   1HB   HIS  72          2HB       HIS  72  11.082  -6.326  -2.801
  533   2HB   HIS  72          1HB       HIS  72  12.215  -5.189  -3.514
  534    HD1  HIS  72           1HD      HIS  72  14.858  -6.075  -2.417
  535    HD2  HIS  72           2HD      HIS  72  11.920  -8.745  -3.636
  536    HE1  HIS  72           1HE      HIS  72  16.077  -8.201  -2.980
  537    HE2  HIS  72           2HE      HIS  72  14.287  -9.780  -3.783
  538    H    THR  73           H        THR  73   9.757  -4.620  -1.629
  539    HA   THR  73           HA       THR  73   9.741  -2.054  -2.641
  540    HB   THR  73           HB       THR  73   7.524  -1.804  -1.661
  541    HG1  THR  73           1HG      THR  73   7.540  -2.555   0.330
  542   1HG2  THR  73          1HG2      THR  73   7.572  -4.712  -2.229
  543   2HG2  THR  73          2HG2      THR  73   8.058  -3.594  -3.505
  544   3HG2  THR  73          3HG2      THR  73   6.454  -3.464  -2.780
  545    H    GLN  74           H        GLN  74  10.242  -3.092   0.667
  546    HA   GLN  74           HA       GLN  74  10.059  -0.637   1.981
  547   1HB   GLN  74          2HB       GLN  74  11.771  -3.057   2.582
  548   2HB   GLN  74          1HB       GLN  74  11.556  -1.702   3.686
  549   1HG   GLN  74          2HG       GLN  74   9.315  -3.421   2.647
  550   2HG   GLN  74          1HG       GLN  74  10.133  -3.670   4.187
  551   1HE2  GLN  74          1HE2      GLN  74  10.182  -0.454   3.876
  552   2HE2  GLN  74          2HE2      GLN  74   8.695  -0.039   4.649
  553    H    ARG  75           H        ARG  75  12.818  -2.223   0.421
  554    HA   ARG  75           HA       ARG  75  14.835  -0.464   1.107
  555   1HB   ARG  75          2HB       ARG  75  14.363  -2.324  -1.153
  556   2HB   ARG  75          1HB       ARG  75  15.607  -1.104  -1.387
  557   1HG   ARG  75          2HG       ARG  75  15.526  -2.951   0.978
  558   2HG   ARG  75          1HG       ARG  75  16.411  -3.304  -0.507
  559   1HD   ARG  75          2HD       ARG  75  17.717  -1.252  -0.198
  560   2HD   ARG  75          1HD       ARG  75  16.833  -0.915   1.289
  561    HE   ARG  75           HE       ARG  75  18.298  -2.293   2.343
  562   1HH1  ARG  75          1HH1      ARG  75  18.080  -3.316  -0.984
  563   2HH1  ARG  75          2HH1      ARG  75  19.226  -4.600  -0.797
  564   1HH2  ARG  75          1HH2      ARG  75  19.807  -3.982   2.593
  565   2HH2  ARG  75          2HH2      ARG  75  20.207  -4.977   1.233
  566    H    ILE  76           H        ILE  76  12.498  -0.208  -1.551
  567    HA   ILE  76           HA       ILE  76  13.479   1.914  -2.963
  568    HB   ILE  76           HB       ILE  76  10.589   1.470  -2.207
  569   1HG1  ILE  76          2HG1      ILE  76  11.602  -0.457  -3.329
  570   2HG1  ILE  76          1HG1      ILE  76  10.447   0.339  -4.391
  571   1HG2  ILE  76          1HG2      ILE  76  10.062   2.787  -4.208
  572   2HG2  ILE  76          2HG2      ILE  76  11.781   3.115  -4.436
  573   3HG2  ILE  76          3HG2      ILE  76  10.946   3.736  -3.013
  574   1HD1  ILE  76          1HD1      ILE  76  12.397   1.515  -5.448
  575   2HD1  ILE  76          2HD1      ILE  76  12.324  -0.228  -5.704
  576   3HD1  ILE  76          3HD1      ILE  76  13.444   0.443  -4.520
  577    H    GLU  77           H        GLU  77  11.423   2.148  -0.059
  578    HA   GLU  77           HA       GLU  77  11.437   4.952   0.114
  579   1HB   GLU  77          2HB       GLU  77   9.841   3.575   1.350
  580   2HB   GLU  77          1HB       GLU  77  11.146   2.874   2.292
  581   1HG   GLU  77          2HG       GLU  77  10.514   5.807   2.319
  582   2HG   GLU  77          1HG       GLU  77   9.774   4.651   3.426
  583    H    LEU  78           H        LEU  78  13.578   2.494   1.441
  584    HA   LEU  78           HA       LEU  78  15.171   4.163   3.039
  585   1HB   LEU  78          2HB       LEU  78  15.942   1.619   1.602
  586   2HB   LEU  78          1HB       LEU  78  16.854   2.369   2.897
  587    HG   LEU  78           HG       LEU  78  14.069   1.234   3.166
  588   1HD1  LEU  78          1HD1      LEU  78  14.992  -0.741   3.558
  589   2HD1  LEU  78          2HD1      LEU  78  16.057  -0.039   4.777
  590   3HD1  LEU  78          3HD1      LEU  78  16.557  -0.075   3.086
  591   1HD2  LEU  78          1HD2      LEU  78  14.355   1.601   5.542
  592   2HD2  LEU  78          2HD2      LEU  78  14.532   3.126   4.674
  593   3HD2  LEU  78          3HD2      LEU  78  15.960   2.279   5.270
  594    H    GLN  79           H        GLN  79  15.434   3.177  -0.344
  595    HA   GLN  79           HA       GLN  79  17.867   4.565  -0.848
  596   1HB   GLN  79          2HB       GLN  79  15.792   3.844  -2.903
  597   2HB   GLN  79          1HB       GLN  79  17.527   4.020  -3.129
  598   1HG   GLN  79          2HG       GLN  79  17.788   2.042  -1.570
  599   2HG   GLN  79          1HG       GLN  79  16.051   1.814  -1.744
  600   1HE2  GLN  79          1HE2      GLN  79  15.429   0.510  -3.277
  601   2HE2  GLN  79          2HE2      GLN  79  16.323   0.117  -4.695
  602    H    GLN  80           H        GLN  80  14.708   5.501  -0.315
  603    HA   GLN  80           HA       GLN  80  14.846   7.944  -1.905
  604   1HB   GLN  80          2HB       GLN  80  12.725   6.336  -0.617
  605   2HB   GLN  80          1HB       GLN  80  12.473   8.069  -0.608
  606   1HG   GLN  80          2HG       GLN  80  13.066   6.487  -3.092
  607   2HG   GLN  80          1HG       GLN  80  11.436   6.837  -2.518
  608   1HE2  GLN  80          1HE2      GLN  80  10.510   8.545  -3.381
  609   2HE2  GLN  80          2HE2      GLN  80  11.316   9.911  -4.063
  610    H    GLY  81           H        GLY  81  15.532   6.855   1.246
  611   1HA   GLY  81          2HA       GLY  81  15.941   7.943   3.242
  612   2HA   GLY  81          1HA       GLY  81  16.468   9.274   2.219
  613    H    ARG  82           H        ARG  82  13.545   7.775   3.560
  614    HA   ARG  82           HA       ARG  82  12.268  10.397   3.575
  615   1HB   ARG  82          2HB       ARG  82  10.697   7.914   3.798
  616   2HB   ARG  82          1HB       ARG  82  10.256   9.455   3.075
  617   1HG   ARG  82          2HG       ARG  82  12.268   8.749   1.452
  618   2HG   ARG  82          1HG       ARG  82  11.674   7.160   1.920
  619   1HD   ARG  82          2HD       ARG  82   9.963   7.360   0.515
  620   2HD   ARG  82          1HD       ARG  82   9.449   8.842   1.322
  621    HE   ARG  82           HE       ARG  82  10.619   8.677  -1.214
  622   1HH1  ARG  82          1HH1      ARG  82  10.874  10.564   1.710
  623   2HH1  ARG  82          2HH1      ARG  82  11.478  11.969   0.900
  624   1HH2  ARG  82          1HH2      ARG  82  11.412  10.531  -2.280
  625   2HH2  ARG  82          2HH2      ARG  82  11.781  11.952  -1.362
  626    H    VAL  83           H        VAL  83  11.798   7.488   5.263
  627    HA   VAL  83           HA       VAL  83  11.032   8.822   7.669
  628    HB   VAL  83           HB       VAL  83   9.935   6.780   7.294
  629   1HG1  VAL  83          1HG1      VAL  83  12.016   4.832   7.547
  630   2HG1  VAL  83          2HG1      VAL  83  12.406   5.933   6.226
  631   3HG1  VAL  83          3HG1      VAL  83  10.872   5.065   6.226
  632   1HG2  VAL  83          1HG2      VAL  83  10.118   6.888   9.568
  633   2HG2  VAL  83          2HG2      VAL  83  11.879   6.810   9.543
  634   3HG2  VAL  83          3HG2      VAL  83  10.928   5.349   9.276
  635    H    ARG  84           H        ARG  84  12.452   9.826   8.834
  636    HA   ARG  84           HA       ARG  84  14.894   8.415   9.631
  637   1HB   ARG  84          2HB       ARG  84  14.778  11.363   8.958
  638   2HB   ARG  84          1HB       ARG  84  16.207  10.427   9.379
  639   1HG   ARG  84          2HG       ARG  84  14.535   9.998   6.900
  640   2HG   ARG  84          1HG       ARG  84  16.044  10.912   6.964
  641   1HD   ARG  84          2HD       ARG  84  15.724   7.996   7.660
  642   2HD   ARG  84          1HD       ARG  84  16.385   8.623   6.150
  643    HE   ARG  84           HE       ARG  84  17.850   9.714   8.266
  644   1HH1  ARG  84          1HH1      ARG  84  17.269   6.618   6.775
  645   2HH1  ARG  84          2HH1      ARG  84  18.824   5.980   7.191
  646   1HH2  ARG  84          1HH2      ARG  84  19.901   8.880   8.820
  647   2HH2  ARG  84          2HH2      ARG  84  20.319   7.265   8.353
  648    H    LYS  85           H        LYS  85  12.194   8.954  10.762
  649    HA   LYS  85           HA       LYS  85  13.053  10.185  13.290
  650   1HB   LYS  85          2HB       LYS  85  10.293  10.516  12.111
  651   2HB   LYS  85          1HB       LYS  85  10.975  11.350  13.501
  652   1HG   LYS  85          2HG       LYS  85  12.535  12.522  12.040
  653   2HG   LYS  85          1HG       LYS  85  11.875  11.664  10.643
  654   1HD   LYS  85          2HD       LYS  85   9.666  12.668  11.115
  655   2HD   LYS  85          1HD       LYS  85  10.388  13.578  12.444
  656   1HE   LYS  85          2HE       LYS  85  10.198  14.947  10.430
  657   2HE   LYS  85          1HE       LYS  85  11.884  14.701  10.882
  658   1HZ   LYS  85          1HZ       LYS  85  12.213  13.224   9.132
  659   2HZ   LYS  85          2HZ       LYS  85  11.256  14.435   8.443
  660   3HZ   LYS  85          3HZ       LYS  85  10.559  12.962   8.895
  661    H    ALA  86           H        ALA  86   9.979   9.666  13.884
  662    HA   ALA  86           HA       ALA  86  10.206   6.774  14.368
  663   1HB   ALA  86          1HB       ALA  86   9.453   8.908  16.348
  664   2HB   ALA  86          2HB       ALA  86  10.745   7.713  16.467
  665   3HB   ALA  86          3HB       ALA  86   9.060   7.206  16.585
  666    H    GLU  87           H        GLU  87   8.573   5.769  13.404
  667    HA   GLU  87           HA       GLU  87   5.954   7.117  13.275
  668   1HB   GLU  87          2HB       GLU  87   5.573   6.315  11.101
  669   2HB   GLU  87          1HB       GLU  87   7.231   6.893  11.078
  670   1HG   GLU  87          2HG       GLU  87   6.372   4.017  11.330
  671   2HG   GLU  87          1HG       GLU  87   6.965   4.792   9.866
  672    H    ARG  88           H        ARG  88   4.360   6.080  14.285
  673    HA   ARG  88           HA       ARG  88   4.743   3.230  14.907
  674   1HB   ARG  88          2HB       ARG  88   4.443   4.815  16.814
  675   2HB   ARG  88          1HB       ARG  88   2.851   5.216  16.191
  676   1HG   ARG  88          2HG       ARG  88   3.603   2.403  16.918
  677   2HG   ARG  88          1HG       ARG  88   2.992   3.548  18.111
  678   1HD   ARG  88          2HD       ARG  88   0.971   3.861  16.722
  679   2HD   ARG  88          1HD       ARG  88   1.581   2.646  15.600
  680    HE   ARG  88           HE       ARG  88   0.721   1.078  16.999
  681   1HH1  ARG  88          1HH1      ARG  88   1.473   3.905  18.899
  682   2HH1  ARG  88          2HH1      ARG  88   0.899   3.216  20.381
  683   1HH2  ARG  88          1HH2      ARG  88  -0.039   0.170  18.946
  684   2HH2  ARG  88          2HH2      ARG  88   0.040   1.095  20.407
  685    H    TRP  89           H        TRP  89   2.093   5.490  14.174
  686    HA   TRP  89           HA       TRP  89   0.840   3.375  12.547
  687   1HB   TRP  89          2HB       TRP  89  -0.364   3.785  14.674
  688   2HB   TRP  89          1HB       TRP  89  -0.569   5.471  14.216
  689    HD1  TRP  89           HD       TRP  89  -1.146   2.548  11.770
  690    HE1  TRP  89           1HE      TRP  89  -3.630   2.542  11.096
  691    HE3  TRP  89           3HE      TRP  89  -2.848   6.203  14.913
  692    HZ2  TRP  89           2HZ      TRP  89  -6.000   3.907  11.807
  693    HZ3  TRP  89           3HZ      TRP  89  -5.237   6.791  14.857
  694    HH2  TRP  89           HH       TRP  89  -6.778   5.665  13.334
  695    H    GLY  90           H        GLY  90   2.022   6.567  12.685
  696   1HA   GLY  90          2HA       GLY  90   0.444   7.931  10.853
  697   2HA   GLY  90          1HA       GLY  90   2.131   8.270  11.170
  698    HA   PRO  91           HA       PRO  91   1.248   6.174   6.864
  699   1HB   PRO  91          2HB       PRO  91   1.010   8.904   5.774
  700   2HB   PRO  91          1HB       PRO  91   0.022   7.479   5.448
  701   1HG   PRO  91          2HG       PRO  91  -0.900   9.548   6.896
  702   2HG   PRO  91          1HG       PRO  91  -1.380   7.874   7.234
  703   1HD   PRO  91          2HD       PRO  91   0.588   9.610   8.665
  704   2HD   PRO  91          1HD       PRO  91  -0.570   8.436   9.324
  705    H    ARG  92           H        ARG  92   2.849   9.062   8.007
  706    HA   ARG  92           HA       ARG  92   4.971   9.830   7.819
  707   1HB   ARG  92          2HB       ARG  92   5.260   7.311   8.341
  708   2HB   ARG  92          1HB       ARG  92   5.721   7.163   6.656
  709   1HG   ARG  92          2HG       ARG  92   7.142   9.281   8.060
  710   2HG   ARG  92          1HG       ARG  92   7.409   7.671   8.736
  711   1HD   ARG  92          2HD       ARG  92   7.866   8.593   5.918
  712   2HD   ARG  92          1HD       ARG  92   9.067   8.030   7.075
  713    HE   ARG  92           HE       ARG  92   7.697   6.432   5.269
  714   1HH1  ARG  92          1HH1      ARG  92   8.350   6.433   8.698
  715   2HH1  ARG  92          2HH1      ARG  92   8.306   4.707   8.826
  716   1HH2  ARG  92          1HH2      ARG  92   7.653   4.163   5.447
  717   2HH2  ARG  92          2HH2      ARG  92   7.919   3.423   6.989
  718    H    THR  93           H        THR  93   6.942   9.652   6.003
  719    HA   THR  93           HA       THR  93   5.976  11.077   3.774
  720    HB   THR  93           HB       THR  93   8.371  10.554   2.886
  721    HG1  THR  93           1HG      THR  93   9.034  10.037   5.524
  722   1HG2  THR  93          1HG2      THR  93   7.500  12.610   4.333
  723   2HG2  THR  93          2HG2      THR  93   9.187  12.409   3.861
  724   3HG2  THR  93          3HG2      THR  93   8.658  11.931   5.475
  725    H    LEU  94           H        LEU  94   7.344   7.832   4.147
  726    HA   LEU  94           HA       LEU  94   5.522   6.854   2.183
  727   1HB   LEU  94          2HB       LEU  94   7.180   7.650   0.661
  728   2HB   LEU  94          1HB       LEU  94   8.473   6.932   1.601
  729    HG   LEU  94           HG       LEU  94   7.661   4.685   0.986
  730   1HD1  LEU  94          1HD1      LEU  94   5.752   4.279  -0.112
  731   2HD1  LEU  94          2HD1      LEU  94   5.947   5.674  -1.174
  732   3HD1  LEU  94          3HD1      LEU  94   5.288   5.884   0.448
  733   1HD2  LEU  94          1HD2      LEU  94   9.316   6.092  -0.382
  734   2HD2  LEU  94          2HD2      LEU  94   7.990   6.275  -1.530
  735   3HD2  LEU  94          3HD2      LEU  94   8.604   4.669  -1.143
  736    H    ASP  95           H        ASP  95   4.838   4.975   2.823
  737    HA   ASP  95           HA       ASP  95   6.675   3.055   4.023
  738   1HB   ASP  95          2HB       ASP  95   5.010   2.529   5.810
  739   2HB   ASP  95          1HB       ASP  95   5.722   4.130   5.970
  740    H    LEU  96           H        LEU  96   6.490   1.920   2.103
  741    HA   LEU  96           HA       LEU  96   3.845   1.071   1.260
  742   1HB   LEU  96          2HB       LEU  96   4.853   0.288  -0.741
  743   2HB   LEU  96          1HB       LEU  96   5.527   1.855  -0.400
  744    HG   LEU  96           HG       LEU  96   6.904  -0.800  -0.054
  745   1HD1  LEU  96          1HD1      LEU  96   6.951  -0.255  -2.314
  746   2HD1  LEU  96          2HD1      LEU  96   8.475   0.393  -1.706
  747   3HD1  LEU  96          3HD1      LEU  96   7.112   1.473  -1.994
  748   1HD2  LEU  96          1HD2      LEU  96   7.712   0.509   1.734
  749   2HD2  LEU  96          2HD2      LEU  96   7.742   1.974   0.754
  750   3HD2  LEU  96          3HD2      LEU  96   8.905   0.684   0.448
  751    H    ASP  97           H        ASP  97   3.035  -0.462   2.495
  752    HA   ASP  97           HA       ASP  97   4.658  -2.856   3.010
  753   1HB   ASP  97          2HB       ASP  97   2.386  -1.774   4.682
  754   2HB   ASP  97          1HB       ASP  97   3.287  -3.245   5.007
  755    H    ILE  98           H        ILE  98   3.784  -4.834   2.557
  756    HA   ILE  98           HA       ILE  98   1.794  -4.950   0.572
  757    HB   ILE  98           HB       ILE  98   3.364  -6.998   2.086
  758   1HG1  ILE  98          2HG1      ILE  98   4.375  -5.938   0.155
  759   2HG1  ILE  98          1HG1      ILE  98   4.034  -7.624  -0.207
  760   1HG2  ILE  98          1HG2      ILE  98   2.201  -8.811   0.913
  761   2HG2  ILE  98          2HG2      ILE  98   1.034  -7.652   0.277
  762   3HG2  ILE  98          3HG2      ILE  98   1.119  -7.955   2.013
  763   1HD1  ILE  98          1HD1      ILE  98   2.213  -7.058  -1.591
  764   2HD1  ILE  98          2HD1      ILE  98   3.532  -5.974  -2.032
  765   3HD1  ILE  98          3HD1      ILE  98   2.209  -5.389  -1.022
  766    H    MET  99           H        MET  99  -0.288  -4.914   0.746
  767    HA   MET  99           HA       MET  99  -1.542  -5.572   3.327
  768   1HB   MET  99          2HB       MET  99  -2.729  -3.932   1.084
  769   2HB   MET  99          1HB       MET  99  -3.336  -4.090   2.727
  770   1HG   MET  99          2HG       MET  99  -0.798  -2.725   1.870
  771   2HG   MET  99          1HG       MET  99  -2.272  -1.955   2.452
  772   1HE   MET  99          1HE       MET  99   0.934  -1.631   3.938
  773   2HE   MET  99          2HE       MET  99   0.024  -1.137   5.365
  774   3HE   MET  99          3HE       MET  99  -0.529  -0.664   3.757
  775    H    LEU 100           H        LEU 100  -1.211  -6.528   0.092
  776    HA   LEU 100           HA       LEU 100  -2.928  -8.784   0.471
  777   1HB   LEU 100          2HB       LEU 100  -3.852  -6.422  -1.006
  778   2HB   LEU 100          1HB       LEU 100  -4.013  -7.913  -1.913
  779    HG   LEU 100           HG       LEU 100  -5.162  -7.406   0.841
  780   1HD1  LEU 100          1HD1      LEU 100  -7.338  -7.574  -0.471
  781   2HD1  LEU 100          2HD1      LEU 100  -6.356  -7.289  -1.908
  782   3HD1  LEU 100          3HD1      LEU 100  -6.413  -6.079  -0.626
  783   1HD2  LEU 100          1HD2      LEU 100  -5.935  -9.661  -0.956
  784   2HD2  LEU 100          2HD2      LEU 100  -6.071  -9.524   0.795
  785   3HD2  LEU 100          3HD2      LEU 100  -4.495  -9.798   0.053
  786    H    PHE 101           H        PHE 101  -1.922 -10.438  -0.479
  787    HA   PHE 101           HA       PHE 101  -0.453  -9.965  -2.964
  788   1HB   PHE 101          2HB       PHE 101   1.124  -9.753  -1.021
  789   2HB   PHE 101          1HB       PHE 101   0.770 -11.429  -0.620
  790    HD1  PHE 101           1HD      PHE 101   2.835 -12.468  -0.952
  791    HD2  PHE 101           2HD      PHE 101   1.229  -9.968  -3.997
  792    HE1  PHE 101           1HE      PHE 101   4.611 -13.206  -2.486
  793    HE2  PHE 101           2HE      PHE 101   3.006 -10.700  -5.534
  794    HZ   PHE 101           HZ       PHE 101   4.687 -12.330  -4.788
  795    H    GLY 102           H        GLY 102  -2.103 -11.116  -3.997
  796   1HA   GLY 102          2HA       GLY 102  -3.035 -12.992  -4.924
  797   2HA   GLY 102          1HA       GLY 102  -1.636 -13.864  -4.317
  798    H    ASN 103           H        ASN 103  -2.413 -15.637  -3.397
  799    HA   ASN 103           HA       ASN 103  -4.612 -15.353  -1.452
  800   1HB   ASN 103          2HB       ASN 103  -5.167 -17.707  -1.940
  801   2HB   ASN 103          1HB       ASN 103  -5.271 -16.702  -3.387
  802   1HD2  ASN 103          1HD2      ASN 103  -3.737 -19.351  -1.872
  803   2HD2  ASN 103          2HD2      ASN 103  -2.685 -19.781  -3.172
  804    H    GLU 104           H        GLU 104  -1.357 -15.775  -1.671
  805    HA   GLU 104           HA       GLU 104  -0.983 -17.928   0.150
  806   1HB   GLU 104          2HB       GLU 104   1.351 -17.025   0.358
  807   2HB   GLU 104          1HB       GLU 104   0.840 -17.490  -1.246
  808   1HG   GLU 104          2HG       GLU 104   0.418 -14.666  -0.535
  809   2HG   GLU 104          1HG       GLU 104   2.095 -15.187  -0.677
  810    H    VAL 105           H        VAL 105   0.286 -17.623   2.162
  811    HA   VAL 105           HA       VAL 105  -0.374 -15.243   3.703
  812    HB   VAL 105           HB       VAL 105  -1.321 -18.019   4.399
  813   1HG1  VAL 105          1HG1      VAL 105  -0.990 -17.470   6.547
  814   2HG1  VAL 105          2HG1      VAL 105  -2.284 -16.288   6.346
  815   3HG1  VAL 105          3HG1      VAL 105  -0.601 -15.799   6.135
  816   1HG2  VAL 105          1HG2      VAL 105  -2.579 -15.795   3.148
  817   2HG2  VAL 105          2HG2      VAL 105  -3.334 -16.056   4.719
  818   3HG2  VAL 105          3HG2      VAL 105  -3.262 -17.371   3.544
  819    H    ILE 106           H        ILE 106   1.893 -14.930   3.783
  820    HA   ILE 106           HA       ILE 106   3.258 -16.738   5.648
  821    HB   ILE 106           HB       ILE 106   4.516 -15.667   3.121
  822   1HG1  ILE 106          2HG1      ILE 106   3.814 -18.516   3.861
  823   2HG1  ILE 106          1HG1      ILE 106   2.892 -17.516   2.742
  824   1HG2  ILE 106          1HG2      ILE 106   6.521 -16.569   3.785
  825   2HG2  ILE 106          2HG2      ILE 106   5.764 -17.731   4.872
  826   3HG2  ILE 106          3HG2      ILE 106   5.871 -16.035   5.333
  827   1HD1  ILE 106          1HD1      ILE 106   5.575 -18.762   2.400
  828   2HD1  ILE 106          2HD1      ILE 106   5.163 -17.306   1.493
  829   3HD1  ILE 106          3HD1      ILE 106   4.184 -18.763   1.317
  830    H    ASN 107           H        ASN 107   4.250 -15.730   7.238
  831    HA   ASN 107           HA       ASN 107   4.885 -12.870   6.924
  832   1HB   ASN 107          2HB       ASN 107   4.190 -14.187   9.551
  833   2HB   ASN 107          1HB       ASN 107   4.249 -12.465   9.175
  834   1HD2  ASN 107          1HD2      ASN 107   2.461 -11.482   8.477
  835   2HD2  ASN 107          2HD2      ASN 107   0.965 -12.270   8.131
  836    H    THR 108           H        THR 108   7.027 -12.789   6.652
  837    HA   THR 108           HA       THR 108   8.696 -14.635   8.210
  838    HB   THR 108           HB       THR 108  10.486 -13.837   6.543
  839    HG1  THR 108           1HG      THR 108   8.121 -12.820   5.408
  840   1HG2  THR 108          1HG2      THR 108   8.540 -15.213   4.885
  841   2HG2  THR 108          2HG2      THR 108   8.742 -15.950   6.474
  842   3HG2  THR 108          3HG2      THR 108  10.140 -15.724   5.423
  843    H    GLU 109           H        GLU 109   9.934 -11.655   6.795
  844    HA   GLU 109           HA       GLU 109  10.891 -10.942   9.482
  845   1HB   GLU 109          2HB       GLU 109  11.698  -9.762   6.818
  846   2HB   GLU 109          1HB       GLU 109  12.488  -9.497   8.367
  847   1HG   GLU 109          2HG       GLU 109  13.863 -11.036   7.335
  848   2HG   GLU 109          1HG       GLU 109  12.852 -12.039   8.372
  849    H    ARG 110           H        ARG 110  10.004  -8.996   6.683
  850    HA   ARG 110           HA       ARG 110   8.342  -7.332   8.445
  851   1HB   ARG 110          2HB       ARG 110   8.879  -5.426   6.968
  852   2HB   ARG 110          1HB       ARG 110  10.308  -6.092   7.736
  853   1HG   ARG 110          2HG       ARG 110   9.630  -7.123   5.054
  854   2HG   ARG 110          1HG       ARG 110  10.226  -5.468   5.162
  855   1HD   ARG 110          2HD       ARG 110  11.609  -7.904   6.284
  856   2HD   ARG 110          1HD       ARG 110  12.037  -7.087   4.787
  857    HE   ARG 110           HE       ARG 110  12.850  -6.355   7.378
  858   1HH1  ARG 110          1HH1      ARG 110  11.744  -4.929   4.393
  859   2HH1  ARG 110          2HH1      ARG 110  12.562  -3.428   4.660
  860   1HH2  ARG 110          1HH2      ARG 110  13.931  -4.382   7.730
  861   2HH2  ARG 110          2HH2      ARG 110  13.805  -3.117   6.553
  862    H    LEU 111           H        LEU 111   8.599  -9.314   5.739
  863    HA   LEU 111           HA       LEU 111   6.425  -8.225   4.262
  864   1HB   LEU 111          2HB       LEU 111   8.378 -10.139   3.721
  865   2HB   LEU 111          1HB       LEU 111   6.849 -11.012   3.651
  866    HG   LEU 111           HG       LEU 111   7.504  -8.498   2.199
  867   1HD1  LEU 111          1HD1      LEU 111   8.589  -9.880   0.850
  868   2HD1  LEU 111          2HD1      LEU 111   6.964 -10.082   0.197
  869   3HD1  LEU 111          3HD1      LEU 111   7.615 -11.266   1.320
  870   1HD2  LEU 111          1HD2      LEU 111   5.358  -8.490   1.277
  871   2HD2  LEU 111          2HD2      LEU 111   5.087  -8.924   2.964
  872   3HD2  LEU 111          3HD2      LEU 111   5.078 -10.175   1.720
  873    H    THR 112           H        THR 112   4.613  -8.049   5.283
  874    HA   THR 112           HA       THR 112   3.457 -10.403   6.604
  875    HB   THR 112           HB       THR 112   1.682  -8.400   7.108
  876    HG1  THR 112           1HG      THR 112   2.589  -6.584   6.656
  877   1HG2  THR 112          1HG2      THR 112   3.617  -8.065   9.104
  878   2HG2  THR 112          2HG2      THR 112   3.692  -9.755   8.606
  879   3HG2  THR 112          3HG2      THR 112   2.161  -9.061   9.147
  880    H    VAL 113           H        VAL 113   1.506 -11.229   5.954
  881    HA   VAL 113           HA       VAL 113   0.715 -10.561   3.248
  882    HB   VAL 113           HB       VAL 113   0.776 -12.919   4.726
  883   1HG1  VAL 113          1HG1      VAL 113  -2.117 -12.565   4.112
  884   2HG1  VAL 113          2HG1      VAL 113  -1.476 -12.012   5.660
  885   3HG1  VAL 113          3HG1      VAL 113  -1.324 -13.707   5.196
  886   1HG2  VAL 113          1HG2      VAL 113  -0.002 -12.073   2.055
  887   2HG2  VAL 113          2HG2      VAL 113  -0.792 -13.563   2.573
  888   3HG2  VAL 113          3HG2      VAL 113   0.967 -13.450   2.577
  889    HA   PRO 114           HA       PRO 114  -3.106  -8.179   3.614
  890   1HB   PRO 114          2HB       PRO 114  -4.487 -10.685   4.520
  891   2HB   PRO 114          1HB       PRO 114  -5.082  -9.405   3.455
  892   1HG   PRO 114          2HG       PRO 114  -3.915 -11.783   2.596
  893   2HG   PRO 114          1HG       PRO 114  -4.082 -10.315   1.622
  894   1HD   PRO 114          2HD       PRO 114  -1.665 -11.508   2.492
  895   2HD   PRO 114          1HD       PRO 114  -1.845  -9.914   1.732
  896    H    HIS 115           H        HIS 115  -2.409  -6.946   5.328
  897    HA   HIS 115           HA       HIS 115  -2.353  -7.919   8.010
  898   1HB   HIS 115          2HB       HIS 115  -0.847  -6.133   7.024
  899   2HB   HIS 115          1HB       HIS 115  -2.234  -5.050   7.069
  900    HD1  HIS 115           1HD      HIS 115  -3.366  -5.292   9.767
  901    HD2  HIS 115           2HD      HIS 115   0.730  -5.533   9.109
  902    HE1  HIS 115           1HE      HIS 115  -2.296  -4.726  11.971
  903    HE2  HIS 115           2HE      HIS 115   0.179  -4.965  11.572
  904    H    TYR 116           H        TYR 116  -3.707  -7.363   9.693
  905    HA   TYR 116           HA       TYR 116  -6.445  -6.838   8.929
  906   1HB   TYR 116          2HB       TYR 116  -5.164  -7.236  11.649
  907   2HB   TYR 116          1HB       TYR 116  -6.896  -7.092  11.370
  908    HD1  TYR 116           1HD      TYR 116  -4.531  -8.936   9.213
  909    HD2  TYR 116           2HD      TYR 116  -7.580  -9.233  12.170
  910    HE1  TYR 116           1HE      TYR 116  -4.653 -11.362   8.833
  911    HE2  TYR 116           2HE      TYR 116  -7.710 -11.663  11.793
  912    HH   TYR 116           HH       TYR 116  -6.503 -13.189   9.169
  913    H    ASP 117           H        ASP 117  -6.362  -4.778   8.099
  914    HA   ASP 117           HA       ASP 117  -6.529  -2.624   9.967
  915   1HB   ASP 117          2HB       ASP 117  -4.052  -3.127   9.810
  916   2HB   ASP 117          1HB       ASP 117  -4.145  -2.687   8.119
  917    H    MET 118           H        MET 118  -5.688  -3.438   6.626
  918    HA   MET 118           HA       MET 118  -6.585  -1.131   5.361
  919   1HB   MET 118          2HB       MET 118  -6.652  -2.481   3.321
  920   2HB   MET 118          1HB       MET 118  -5.198  -2.794   4.256
  921   1HG   MET 118          2HG       MET 118  -6.162  -4.853   5.112
  922   2HG   MET 118          1HG       MET 118  -7.653  -4.536   4.226
  923   1HE   MET 118          1HE       MET 118  -7.313  -3.568   1.860
  924   2HE   MET 118          2HE       MET 118  -7.423  -5.079   0.959
  925   3HE   MET 118          3HE       MET 118  -6.026  -4.024   0.743
  926    H    LYS 119           H        LYS 119  -8.321  -4.060   6.162
  927    HA   LYS 119           HA       LYS 119 -10.719  -3.307   4.807
  928   1HB   LYS 119          2HB       LYS 119 -11.638  -5.300   6.112
  929   2HB   LYS 119          1HB       LYS 119 -10.326  -5.605   4.976
  930   1HG   LYS 119          2HG       LYS 119  -8.725  -5.531   6.844
  931   2HG   LYS 119          1HG       LYS 119 -10.077  -5.334   7.963
  932   1HD   LYS 119          2HD       LYS 119  -9.394  -7.658   7.908
  933   2HD   LYS 119          1HD       LYS 119 -10.997  -7.492   7.187
  934   1HE   LYS 119          2HE       LYS 119  -9.578  -9.002   5.886
  935   2HE   LYS 119          1HE       LYS 119 -10.018  -7.569   4.957
  936   1HZ   LYS 119          1HZ       LYS 119  -7.864  -7.288   4.587
  937   2HZ   LYS 119          2HZ       LYS 119  -7.440  -8.519   5.666
  938   3HZ   LYS 119          3HZ       LYS 119  -7.656  -6.940   6.229
  939    H    ASN 120           H        ASN 120  -9.353  -2.122   7.527
  940    HA   ASN 120           HA       ASN 120 -11.956  -1.503   8.765
  941   1HB   ASN 120          2HB       ASN 120  -9.231  -1.386  10.080
  942   2HB   ASN 120          1HB       ASN 120 -10.790  -1.191  10.868
  943   1HD2  ASN 120          1HD2      ASN 120  -8.351  -3.209  10.598
  944   2HD2  ASN 120          2HD2      ASN 120  -9.143  -4.734  10.765
  945    H    ARG 121           H        ARG 121 -10.594  -0.241   6.477
  946    HA   ARG 121           HA       ARG 121 -10.761   2.508   7.374
  947   1HB   ARG 121          2HB       ARG 121  -8.257   1.453   6.034
  948   2HB   ARG 121          1HB       ARG 121  -8.582   3.136   6.416
  949   1HG   ARG 121          2HG       ARG 121  -8.600   1.126   8.613
  950   2HG   ARG 121          1HG       ARG 121  -7.057   1.664   7.954
  951   1HD   ARG 121          2HD       ARG 121  -7.677   2.987   9.900
  952   2HD   ARG 121          1HD       ARG 121  -7.655   3.985   8.451
  953    HE   ARG 121           HE       ARG 121  -9.964   3.280  10.061
  954   1HH1  ARG 121          1HH1      ARG 121  -8.769   4.669   7.095
  955   2HH1  ARG 121          2HH1      ARG 121 -10.246   5.501   6.740
  956   1HH2  ARG 121          1HH2      ARG 121 -11.909   4.373   9.601
  957   2HH2  ARG 121          2HH2      ARG 121 -12.030   5.332   8.165
  958    H    GLY 122           H        GLY 122  -9.500   3.530   4.975
  959   1HA   GLY 122          2HA       GLY 122 -11.142   2.402   2.816
  960   2HA   GLY 122          1HA       GLY 122 -11.353   4.090   3.233
  961    H    PHE 123           H        PHE 123  -8.211   3.768   3.816
  962    HA   PHE 123           HA       PHE 123  -7.553   4.834   1.220
  963   1HB   PHE 123          2HB       PHE 123  -5.216   5.042   2.319
  964   2HB   PHE 123          1HB       PHE 123  -6.521   6.077   2.887
  965    HD1  PHE 123           1HD      PHE 123  -5.403   2.593   3.663
  966    HD2  PHE 123           2HD      PHE 123  -6.410   6.457   5.127
  967    HE1  PHE 123           1HE      PHE 123  -5.011   1.818   5.965
  968    HE2  PHE 123           2HE      PHE 123  -6.021   5.692   7.432
  969    HZ   PHE 123           HZ       PHE 123  -5.319   3.369   7.854
  970    H    MET 124           H        MET 124  -7.203   1.832   2.897
  971    HA   MET 124           HA       MET 124  -5.278   0.859   0.944
  972   1HB   MET 124          2HB       MET 124  -6.498  -0.451   3.380
  973   2HB   MET 124          1HB       MET 124  -5.377  -1.258   2.289
  974   1HG   MET 124          2HG       MET 124  -3.677   0.427   2.776
  975   2HG   MET 124          1HG       MET 124  -4.793   1.234   3.870
  976   1HE   MET 124          1HE       MET 124  -1.923  -0.335   6.011
  977   2HE   MET 124          2HE       MET 124  -3.140   0.906   6.305
  978   3HE   MET 124          3HE       MET 124  -2.237   0.900   4.790
  979    H    LEU 125           H        LEU 125  -8.671   0.573   1.739
  980    HA   LEU 125           HA       LEU 125  -9.137  -1.597  -0.112
  981   1HB   LEU 125          2HB       LEU 125 -11.049   0.132   1.449
  982   2HB   LEU 125          1HB       LEU 125 -11.526  -1.234   0.463
  983    HG   LEU 125           HG       LEU 125  -9.803  -1.353   2.931
  984   1HD1  LEU 125          1HD1      LEU 125 -11.639  -2.263   4.053
  985   2HD1  LEU 125          2HD1      LEU 125 -12.530  -2.534   2.555
  986   3HD1  LEU 125          3HD1      LEU 125 -12.299  -0.894   3.160
  987   1HD2  LEU 125          1HD2      LEU 125  -9.446  -3.036   0.964
  988   2HD2  LEU 125          2HD2      LEU 125 -10.944  -3.745   1.567
  989   3HD2  LEU 125          3HD2      LEU 125  -9.540  -3.617   2.626
  990    H    TRP 126           H        TRP 126 -10.439   1.725   0.089
  991    HA   TRP 126           HA       TRP 126 -11.799   1.827  -2.260
  992   1HB   TRP 126          2HB       TRP 126 -11.985   3.591  -0.695
  993   2HB   TRP 126          1HB       TRP 126 -10.278   3.985  -0.823
  994    HD1  TRP 126           HD       TRP 126 -10.331   6.357  -1.684
  995    HE1  TRP 126           1HE      TRP 126 -11.309   7.550  -3.752
  996    HE3  TRP 126           3HE      TRP 126 -13.114   2.520  -3.589
  997    HZ2  TRP 126           2HZ      TRP 126 -13.033   6.938  -5.900
  998    HZ3  TRP 126           3HZ      TRP 126 -14.402   2.905  -5.651
  999    HH2  TRP 126           HH       TRP 126 -14.361   5.069  -6.781
 1000    HA   PRO 127           HA       PRO 127  -8.012   3.475  -4.823
 1001   1HB   PRO 127          2HB       PRO 127  -5.715   2.583  -3.175
 1002   2HB   PRO 127          1HB       PRO 127  -5.944   4.090  -4.069
 1003   1HG   PRO 127          2HG       PRO 127  -6.109   4.077  -1.422
 1004   2HG   PRO 127          1HG       PRO 127  -7.246   5.039  -2.391
 1005   1HD   PRO 127          2HD       PRO 127  -7.666   2.359  -1.092
 1006   2HD   PRO 127          1HD       PRO 127  -8.739   3.778  -1.108
 1007    H    LEU 128           H        LEU 128  -7.221   0.604  -2.863
 1008    HA   LEU 128           HA       LEU 128  -5.933  -0.913  -4.812
 1009   1HB   LEU 128          2HB       LEU 128  -6.659  -1.277  -2.199
 1010   2HB   LEU 128          1HB       LEU 128  -7.715  -2.400  -3.017
 1011    HG   LEU 128           HG       LEU 128  -5.621  -3.334  -4.122
 1012   1HD1  LEU 128          1HD1      LEU 128  -4.458  -1.536  -2.026
 1013   2HD1  LEU 128          2HD1      LEU 128  -3.953  -1.767  -3.700
 1014   3HD1  LEU 128          3HD1      LEU 128  -3.630  -3.019  -2.500
 1015   1HD2  LEU 128          1HD2      LEU 128  -6.266  -3.603  -1.198
 1016   2HD2  LEU 128          2HD2      LEU 128  -5.084  -4.629  -2.007
 1017   3HD2  LEU 128          3HD2      LEU 128  -6.766  -4.643  -2.531
 1018    H    PHE 129           H        PHE 129  -9.261  -0.215  -4.303
 1019    HA   PHE 129           HA       PHE 129 -10.561  -2.262  -5.675
 1020   1HB   PHE 129          2HB       PHE 129 -11.732  -0.606  -4.318
 1021   2HB   PHE 129          1HB       PHE 129 -11.283   0.672  -5.436
 1022    HD1  PHE 129           1HD      PHE 129 -12.844   1.360  -6.958
 1023    HD2  PHE 129           2HD      PHE 129 -13.062  -2.610  -5.444
 1024    HE1  PHE 129           1HE      PHE 129 -14.940   1.008  -8.196
 1025    HE2  PHE 129           2HE      PHE 129 -15.156  -2.972  -6.685
 1026    HZ   PHE 129           HZ       PHE 129 -16.098  -1.161  -8.063
 1027    H    GLU 130           H        GLU 130  -8.445   0.072  -6.914
 1028    HA   GLU 130           HA       GLU 130  -9.559  -0.127  -9.616
 1029   1HB   GLU 130          2HB       GLU 130  -7.506   1.782  -8.489
 1030   2HB   GLU 130          1HB       GLU 130  -8.059   1.769 -10.158
 1031   1HG   GLU 130          2HG       GLU 130  -9.777   2.290  -7.741
 1032   2HG   GLU 130          1HG       GLU 130  -9.149   3.511  -8.846
 1033    H    ILE 131           H        ILE 131  -6.733  -0.905  -7.697
 1034    HA   ILE 131           HA       ILE 131  -5.086  -1.514  -9.960
 1035    HB   ILE 131           HB       ILE 131  -3.415  -2.085  -8.465
 1036   1HG1  ILE 131          2HG1      ILE 131  -5.475  -2.629  -6.306
 1037   2HG1  ILE 131          1HG1      ILE 131  -4.692  -3.879  -7.264
 1038   1HG2  ILE 131          1HG2      ILE 131  -5.194   0.068  -7.679
 1039   2HG2  ILE 131          2HG2      ILE 131  -3.438   0.048  -7.828
 1040   3HG2  ILE 131          3HG2      ILE 131  -4.201  -0.511  -6.342
 1041   1HD1  ILE 131          1HD1      ILE 131  -2.602  -3.448  -6.293
 1042   2HD1  ILE 131          2HD1      ILE 131  -3.766  -3.467  -4.968
 1043   3HD1  ILE 131          3HD1      ILE 131  -3.157  -1.932  -5.586
 1044    H    ALA 132           H        ALA 132  -7.310  -3.235  -7.963
 1045    HA   ALA 132           HA       ALA 132  -7.954  -5.212  -9.692
 1046   1HB   ALA 132          1HB       ALA 132  -6.300  -6.688  -9.811
 1047   2HB   ALA 132          2HB       ALA 132  -6.452  -6.982  -8.080
 1048   3HB   ALA 132          3HB       ALA 132  -5.348  -5.740  -8.670
 1049    HA   PRO 133           HA       PRO 133 -10.346  -5.483  -5.827
 1050   1HB   PRO 133          2HB       PRO 133 -12.584  -4.424  -6.652
 1051   2HB   PRO 133          1HB       PRO 133 -11.138  -3.395  -6.552
 1052   1HG   PRO 133          2HG       PRO 133 -12.369  -4.700  -8.964
 1053   2HG   PRO 133          1HG       PRO 133 -11.757  -3.046  -8.783
 1054   1HD   PRO 133          2HD       PRO 133 -10.326  -5.216  -9.832
 1055   2HD   PRO 133          1HD       PRO 133  -9.625  -3.685  -9.274
 1056    H    GLU 134           H        GLU 134 -10.047  -7.463  -8.256
 1057    HA   GLU 134           HA       GLU 134 -12.631  -8.842  -7.947
 1058   1HB   GLU 134          2HB       GLU 134 -12.002 -10.100  -9.976
 1059   2HB   GLU 134          1HB       GLU 134 -12.043  -8.368 -10.278
 1060   1HG   GLU 134          2HG       GLU 134  -9.605  -8.284 -10.078
 1061   2HG   GLU 134          1HG       GLU 134  -9.575 -10.024  -9.804
 1062    H    LEU 135           H        LEU 135  -9.552  -8.663  -6.948
 1063    HA   LEU 135           HA       LEU 135  -8.476 -11.156  -6.708
 1064   1HB   LEU 135          2HB       LEU 135  -7.283  -9.239  -6.000
 1065   2HB   LEU 135          1HB       LEU 135  -8.533  -8.787  -4.864
 1066    HG   LEU 135           HG       LEU 135  -8.019 -10.830  -3.591
 1067   1HD1  LEU 135          1HD1      LEU 135  -5.332 -11.193  -4.476
 1068   2HD1  LEU 135          2HD1      LEU 135  -6.434 -11.432  -5.834
 1069   3HD1  LEU 135          3HD1      LEU 135  -6.630 -12.381  -4.360
 1070   1HD2  LEU 135          1HD2      LEU 135  -6.865  -9.451  -2.297
 1071   2HD2  LEU 135          2HD2      LEU 135  -6.668  -8.367  -3.674
 1072   3HD2  LEU 135          3HD2      LEU 135  -5.458  -9.608  -3.349
 1073    H    VAL 136           H        VAL 136  -8.542 -12.775  -5.071
 1074    HA   VAL 136           HA       VAL 136 -10.762 -12.649  -3.179
 1075    HB   VAL 136           HB       VAL 136 -11.778 -13.798  -5.000
 1076   1HG1  VAL 136          1HG1      VAL 136 -10.655 -15.041  -6.461
 1077   2HG1  VAL 136          2HG1      VAL 136 -10.141 -16.154  -5.193
 1078   3HG1  VAL 136          3HG1      VAL 136  -9.186 -14.714  -5.543
 1079   1HG2  VAL 136          1HG2      VAL 136 -12.352 -15.919  -3.996
 1080   2HG2  VAL 136          2HG2      VAL 136 -12.201 -14.689  -2.740
 1081   3HG2  VAL 136          3HG2      VAL 136 -10.909 -15.864  -2.984
 1082    H    PHE 137           H        PHE 137 -10.509 -13.880  -1.316
 1083    HA   PHE 137           HA       PHE 137  -7.770 -14.616  -0.720
 1084   1HB   PHE 137          2HB       PHE 137 -10.267 -14.472   0.987
 1085   2HB   PHE 137          1HB       PHE 137  -8.687 -14.935   1.604
 1086    HD1  PHE 137           1HD      PHE 137  -9.803 -12.218  -0.691
 1087    HD2  PHE 137           2HD      PHE 137  -7.887 -13.247   2.968
 1088    HE1  PHE 137           1HE      PHE 137  -9.272  -9.847  -0.305
 1089    HE2  PHE 137           2HE      PHE 137  -7.356 -10.878   3.361
 1090    HZ   PHE 137           HZ       PHE 137  -8.067  -9.182   1.791
 1091    HA   PRO 138           HA       PRO 138  -7.955 -19.024  -0.945
 1092   1HB   PRO 138          2HB       PRO 138  -7.656 -19.194   2.014
 1093   2HB   PRO 138          1HB       PRO 138  -6.715 -19.979   0.741
 1094   1HG   PRO 138          2HG       PRO 138  -5.733 -17.895   2.081
 1095   2HG   PRO 138          1HG       PRO 138  -5.431 -18.093   0.345
 1096   1HD   PRO 138          2HD       PRO 138  -7.281 -16.227   1.746
 1097   2HD   PRO 138          1HD       PRO 138  -6.356 -15.993   0.250
 1098    H    ASP 139           H        ASP 139 -10.066 -17.279   1.098
 1099    HA   ASP 139           HA       ASP 139 -11.788 -19.570   1.648
 1100   1HB   ASP 139          2HB       ASP 139 -11.238 -17.754   3.356
 1101   2HB   ASP 139          1HB       ASP 139 -12.269 -16.691   2.413
 1102    H    GLY 140           H        GLY 140 -12.329 -16.250   0.481
 1103   1HA   GLY 140          2HA       GLY 140 -13.506 -16.820  -1.957
 1104   2HA   GLY 140          1HA       GLY 140 -14.804 -16.882  -0.772
 1105    H    GLU 141           H        GLU 141 -13.194 -14.835   0.815
 1106    HA   GLU 141           HA       GLU 141 -14.601 -12.546   0.220
 1107   1HB   GLU 141          2HB       GLU 141 -13.287 -12.984   2.291
 1108   2HB   GLU 141          1HB       GLU 141 -11.814 -12.695   1.372
 1109   1HG   GLU 141          2HG       GLU 141 -12.514 -10.405   0.949
 1110   2HG   GLU 141          1HG       GLU 141 -14.007 -10.695   1.841
 1111    H    MET 142           H        MET 142 -13.927 -10.512  -0.739
 1112    HA   MET 142           HA       MET 142 -11.701 -10.656  -2.622
 1113   1HB   MET 142          2HB       MET 142 -14.508  -9.889  -3.426
 1114   2HB   MET 142          1HB       MET 142 -13.085  -9.792  -4.460
 1115   1HG   MET 142          2HG       MET 142 -12.831 -12.229  -4.298
 1116   2HG   MET 142          1HG       MET 142 -14.291 -12.300  -3.314
 1117   1HE   MET 142          1HE       MET 142 -17.024 -11.086  -5.856
 1118   2HE   MET 142          2HE       MET 142 -16.087 -10.041  -4.788
 1119   3HE   MET 142          3HE       MET 142 -16.693 -11.589  -4.198
 1120    H    LEU 143           H        LEU 143 -11.085  -8.513  -3.496
 1121    HA   LEU 143           HA       LEU 143 -11.010  -6.553  -1.496
 1122   1HB   LEU 143          2HB       LEU 143  -9.336  -6.739  -3.265
 1123   2HB   LEU 143          1HB       LEU 143 -10.538  -6.306  -4.467
 1124    HG   LEU 143           HG       LEU 143 -10.720  -4.066  -3.502
 1125   1HD1  LEU 143          1HD1      LEU 143  -8.702  -5.122  -1.537
 1126   2HD1  LEU 143          2HD1      LEU 143 -10.282  -4.417  -1.201
 1127   3HD1  LEU 143          3HD1      LEU 143  -8.975  -3.401  -1.807
 1128   1HD2  LEU 143          1HD2      LEU 143  -7.931  -3.863  -3.721
 1129   2HD2  LEU 143          2HD2      LEU 143  -9.138  -3.598  -4.980
 1130   3HD2  LEU 143          3HD2      LEU 143  -8.418  -5.194  -4.770
 1131    H    ARG 144           H        ARG 144 -13.330  -7.292  -3.910
 1132    HA   ARG 144           HA       ARG 144 -14.630  -4.710  -3.844
 1133   1HB   ARG 144          2HB       ARG 144 -14.570  -6.209  -5.873
 1134   2HB   ARG 144          1HB       ARG 144 -15.648  -7.304  -5.024
 1135   1HG   ARG 144          2HG       ARG 144 -16.330  -4.427  -5.578
 1136   2HG   ARG 144          1HG       ARG 144 -16.724  -5.747  -6.680
 1137   1HD   ARG 144          2HD       ARG 144 -17.633  -5.529  -3.811
 1138   2HD   ARG 144          1HD       ARG 144 -18.612  -5.140  -5.222
 1139    HE   ARG 144           HE       ARG 144 -17.664  -7.765  -5.477
 1140   1HH1  ARG 144          1HH1      ARG 144 -19.878  -5.902  -3.535
 1141   2HH1  ARG 144          2HH1      ARG 144 -20.914  -7.248  -3.197
 1142   1HH2  ARG 144          1HH2      ARG 144 -19.023  -9.542  -5.034
 1143   2HH2  ARG 144          2HH2      ARG 144 -20.427  -9.315  -4.048
 1144    H    GLN 145           H        GLN 145 -15.311  -8.014  -2.734
 1145    HA   GLN 145           HA       GLN 145 -17.766  -7.539  -1.516
 1146   1HB   GLN 145          2HB       GLN 145 -16.998  -9.787  -1.872
 1147   2HB   GLN 145          1HB       GLN 145 -15.591  -9.527  -0.853
 1148   1HG   GLN 145          2HG       GLN 145 -18.341  -9.263   0.282
 1149   2HG   GLN 145          1HG       GLN 145 -17.617 -10.854   0.057
 1150   1HE2  GLN 145          1HE2      GLN 145 -15.033  -9.017   0.564
 1151   2HE2  GLN 145          2HE2      GLN 145 -14.898  -9.113   2.281
 1152    H    ILE 146           H        ILE 146 -14.497  -6.988  -0.348
 1153    HA   ILE 146           HA       ILE 146 -15.172  -6.487   2.355
 1154    HB   ILE 146           HB       ILE 146 -12.822  -5.449   0.762
 1155   1HG1  ILE 146          2HG1      ILE 146 -13.042  -7.818   2.635
 1156   2HG1  ILE 146          1HG1      ILE 146 -12.980  -7.922   0.880
 1157   1HG2  ILE 146          1HG2      ILE 146 -13.439  -4.214   2.896
 1158   2HG2  ILE 146          2HG2      ILE 146 -11.793  -4.841   2.789
 1159   3HG2  ILE 146          3HG2      ILE 146 -13.001  -5.694   3.751
 1160   1HD1  ILE 146          1HD1      ILE 146 -10.739  -6.799   0.998
 1161   2HD1  ILE 146          2HD1      ILE 146 -10.817  -8.421   1.690
 1162   3HD1  ILE 146          3HD1      ILE 146 -10.813  -7.008   2.748
 1163    H    LEU 147           H        LEU 147 -14.945  -4.439  -0.508
 1164    HA   LEU 147           HA       LEU 147 -15.437  -1.999   0.908
 1165   1HB   LEU 147          2HB       LEU 147 -15.390  -2.765  -1.997
 1166   2HB   LEU 147          1HB       LEU 147 -15.948  -1.181  -1.495
 1167    HG   LEU 147           HG       LEU 147 -13.214  -2.301  -0.877
 1168   1HD1  LEU 147          1HD1      LEU 147 -13.650  -1.873  -3.302
 1169   2HD1  LEU 147          2HD1      LEU 147 -12.365  -0.889  -2.601
 1170   3HD1  LEU 147          3HD1      LEU 147 -13.958  -0.187  -2.888
 1171   1HD2  LEU 147          1HD2      LEU 147 -14.564   0.328  -0.355
 1172   2HD2  LEU 147          2HD2      LEU 147 -12.809   0.186  -0.432
 1173   3HD2  LEU 147          3HD2      LEU 147 -13.714  -0.723   0.777
 1174    H    HIS 148           H        HIS 148 -17.367  -4.584  -0.108
 1175    HA   HIS 148           HA       HIS 148 -19.785  -3.142  -0.627
 1176   1HB   HIS 148          2HB       HIS 148 -19.303  -5.434  -1.513
 1177   2HB   HIS 148          1HB       HIS 148 -19.448  -6.053   0.127
 1178    HD1  HIS 148           1HD      HIS 148 -21.343  -7.446  -1.431
 1179    HD2  HIS 148           2HD      HIS 148 -22.211  -3.568  -0.218
 1180    HE1  HIS 148           1HE      HIS 148 -23.840  -7.229  -1.610
 1181    HE2  HIS 148           2HE      HIS 148 -24.351  -4.904  -0.784
 1182    H    THR 149           H        THR 149 -18.419  -4.878   2.128
 1183    HA   THR 149           HA       THR 149 -20.674  -4.306   3.829
 1184    HB   THR 149           HB       THR 149 -17.943  -5.457   4.448
 1185    HG1  THR 149           1HG      THR 149 -19.747  -6.571   3.119
 1186   1HG2  THR 149          1HG2      THR 149 -19.948  -4.550   6.248
 1187   2HG2  THR 149          2HG2      THR 149 -18.418  -5.354   6.599
 1188   3HG2  THR 149          3HG2      THR 149 -19.870  -6.312   6.313
 1189    H    ARG 150           H        ARG 150 -17.342  -3.164   3.478
 1190    HA   ARG 150           HA       ARG 150 -17.543  -1.269   5.618
 1191   1HB   ARG 150          2HB       ARG 150 -15.511  -1.616   3.409
 1192   2HB   ARG 150          1HB       ARG 150 -15.362  -0.427   4.697
 1193   1HG   ARG 150          2HG       ARG 150 -15.533  -3.404   5.116
 1194   2HG   ARG 150          1HG       ARG 150 -14.041  -2.466   5.094
 1195   1HD   ARG 150          2HD       ARG 150 -14.748  -1.206   7.021
 1196   2HD   ARG 150          1HD       ARG 150 -16.330  -1.976   6.993
 1197    HE   ARG 150           HE       ARG 150 -14.409  -3.983   7.224
 1198   1HH1  ARG 150          1HH1      ARG 150 -15.623  -1.288   9.073
 1199   2HH1  ARG 150          2HH1      ARG 150 -15.269  -2.015  10.606
 1200   1HH2  ARG 150          1HH2      ARG 150 -13.940  -4.946   9.238
 1201   2HH2  ARG 150          2HH2      ARG 150 -14.311  -4.095  10.698
 1202    H    ALA 151           H        ALA 151 -17.149  -0.858   2.094
 1203    HA   ALA 151           HA       ALA 151 -17.874   0.745   0.652
 1204   1HB   ALA 151          1HB       ALA 151 -19.834   1.709   2.706
 1205   2HB   ALA 151          2HB       ALA 151 -20.075   0.182   1.858
 1206   3HB   ALA 151          3HB       ALA 151 -19.984   1.691   0.950
 1207    H    PHE 152           H        PHE 152 -15.606   1.454   1.640
 1208    HA   PHE 152           HA       PHE 152 -15.896   4.143   2.760
 1209   1HB   PHE 152          2HB       PHE 152 -13.618   2.171   2.833
 1210   2HB   PHE 152          1HB       PHE 152 -13.398   3.866   3.245
 1211    HD1  PHE 152           1HD      PHE 152 -12.963   3.858   5.542
 1212    HD2  PHE 152           2HD      PHE 152 -16.240   1.605   4.028
 1213    HE1  PHE 152           1HE      PHE 152 -13.693   3.379   7.842
 1214    HE2  PHE 152           2HE      PHE 152 -16.974   1.123   6.325
 1215    HZ   PHE 152           HZ       PHE 152 -15.662   2.034   8.253
 1216    H    ASP 153           H        ASP 153 -16.553   4.464   0.361
 1217    HA   ASP 153           HA       ASP 153 -14.488   4.638  -1.598
 1218   1HB   ASP 153          2HB       ASP 153 -16.175   6.030  -2.835
 1219   2HB   ASP 153          1HB       ASP 153 -16.763   4.440  -2.357
 1220    H    LYS 154           H        LYS 154 -14.435   6.039   1.113
 1221    HA   LYS 154           HA       LYS 154 -14.451   8.788   0.930
 1222   1HB   LYS 154          2HB       LYS 154 -12.606   7.054   2.571
 1223   2HB   LYS 154          1HB       LYS 154 -13.128   8.696   2.955
 1224   1HG   LYS 154          2HG       LYS 154 -15.492   7.743   2.988
 1225   2HG   LYS 154          1HG       LYS 154 -14.724   6.158   2.988
 1226   1HD   LYS 154          2HD       LYS 154 -14.264   8.323   5.042
 1227   2HD   LYS 154          1HD       LYS 154 -15.262   6.886   5.268
 1228   1HE   LYS 154          2HE       LYS 154 -13.310   5.456   4.995
 1229   2HE   LYS 154          1HE       LYS 154 -12.300   6.865   4.670
 1230   1HZ   LYS 154          1HZ       LYS 154 -11.933   6.981   6.836
 1231   2HZ   LYS 154          2HZ       LYS 154 -13.043   5.749   7.159
 1232   3HZ   LYS 154          3HZ       LYS 154 -13.565   7.356   7.080
 1233    H    LEU 155           H        LEU 155 -11.799   9.294   1.982
 1234    HA   LEU 155           HA       LEU 155  -9.854  10.212   1.295
 1235   1HB   LEU 155          2HB       LEU 155  -9.667   7.834  -0.542
 1236   2HB   LEU 155          1HB       LEU 155  -8.346   8.776   0.120
 1237    HG   LEU 155           HG       LEU 155  -8.334   6.778   1.348
 1238   1HD1  LEU 155          1HD1      LEU 155  -9.158   9.180   2.665
 1239   2HD1  LEU 155          2HD1      LEU 155  -8.050   7.923   3.214
 1240   3HD1  LEU 155          3HD1      LEU 155  -9.781   7.770   3.522
 1241   1HD2  LEU 155          1HD2      LEU 155 -10.496   5.927   0.624
 1242   2HD2  LEU 155          2HD2      LEU 155 -11.309   7.061   1.699
 1243   3HD2  LEU 155          3HD2      LEU 155 -10.304   5.778   2.370
 1244    H    ASN 156           H        ASN 156 -10.838  12.015   0.280
 1245    HA   ASN 156           HA       ASN 156 -11.645  12.082  -2.418
 1246   1HB   ASN 156          2HB       ASN 156 -11.491  14.508  -2.222
 1247   2HB   ASN 156          1HB       ASN 156 -12.199  13.841  -0.755
 1248   1HD2  ASN 156          1HD2      ASN 156 -11.440  14.639   1.062
 1249   2HD2  ASN 156          2HD2      ASN 156  -9.876  15.330   1.299
 1250    H    LYS 157           H        LYS 157 -10.437  13.446  -4.114
 1251    HA   LYS 157           HA       LYS 157  -7.755  12.367  -4.327
 1252   1HB   LYS 157          2HB       LYS 157  -9.525  13.861  -6.252
 1253   2HB   LYS 157          1HB       LYS 157  -7.854  13.458  -6.623
 1254   1HG   LYS 157          2HG       LYS 157  -8.359  11.089  -6.349
 1255   2HG   LYS 157          1HG       LYS 157 -10.031  11.484  -5.973
 1256   1HD   LYS 157          2HD       LYS 157  -8.636  12.131  -8.568
 1257   2HD   LYS 157          1HD       LYS 157  -9.734  10.771  -8.315
 1258   1HE   LYS 157          2HE       LYS 157 -11.538  12.334  -7.773
 1259   2HE   LYS 157          1HE       LYS 157 -10.439  13.690  -8.016
 1260   1HZ   LYS 157          1HZ       LYS 157 -11.917  13.162  -9.938
 1261   2HZ   LYS 157          2HZ       LYS 157 -11.070  11.713 -10.133
 1262   3HZ   LYS 157          3HZ       LYS 157 -10.267  13.191 -10.309
 1263    H    TRP 158           H        TRP 158  -5.888  13.537  -4.566
 1264    HA   TRP 158           HA       TRP 158  -5.289  15.613  -2.979
 1265   1HB   TRP 158          2HB       TRP 158  -3.649  14.318  -4.297
 1266   2HB   TRP 158          1HB       TRP 158  -4.131  15.196  -5.740
 1267    HD1  TRP 158           HD       TRP 158  -2.847  17.376  -6.241
 1268    HE1  TRP 158           1HE      TRP 158  -1.126  18.807  -4.970
 1269    HE3  TRP 158           3HE      TRP 158  -3.034  15.027  -1.704
 1270    HZ2  TRP 158           2HZ      TRP 158   0.005  18.921  -2.388
 1271    HZ3  TRP 158           3HZ      TRP 158  -1.598  15.858   0.111
 1272    HH2  TRP 158           HH       TRP 158  -0.109  17.763  -0.224
  Start of MODEL   18
    1   1H    THR   1          1HT       THR   1   1.355 -13.943 -10.245
    2   2H    THR   1          2HT       THR   1   2.178 -14.557  -8.901
    3   3H    THR   1          3HT       THR   1   2.623 -13.061  -9.554
    4    HA   THR   1           HA       THR   1  -0.146 -13.254  -8.769
    5    HB   THR   1           HB       THR   1   2.036 -13.184  -6.664
    6    HG1  THR   1           1HG      THR   1   0.336 -15.268  -7.532
    7   1HG2  THR   1          1HG2      THR   1   0.494 -12.635  -5.175
    8   2HG2  THR   1          2HG2      THR   1  -0.595 -13.896  -5.750
    9   3HG2  THR   1          3HG2      THR   1  -0.602 -12.309  -6.518
   10    H    VAL   2           H        VAL   2  -0.711 -11.203  -7.579
   11    HA   VAL   2           HA       VAL   2   0.936  -8.994  -8.616
   12    HB   VAL   2           HB       VAL   2  -2.022  -9.101  -8.029
   13   1HG1  VAL   2          1HG1      VAL   2  -1.971  -6.754  -9.011
   14   2HG1  VAL   2          2HG1      VAL   2  -0.237  -6.775  -8.684
   15   3HG1  VAL   2          3HG1      VAL   2  -1.387  -6.940  -7.356
   16   1HG2  VAL   2          1HG2      VAL   2  -0.360  -9.244 -10.454
   17   2HG2  VAL   2          2HG2      VAL   2  -1.791  -8.219 -10.551
   18   3HG2  VAL   2          3HG2      VAL   2  -1.955  -9.923 -10.125
   19    H    ALA   3           H        ALA   3   1.435  -7.244  -7.345
   20    HA   ALA   3           HA       ALA   3   1.190  -7.665  -4.459
   21   1HB   ALA   3          1HB       ALA   3   3.320  -7.023  -4.440
   22   2HB   ALA   3          2HB       ALA   3   2.812  -5.423  -4.981
   23   3HB   ALA   3          3HB       ALA   3   3.260  -6.652  -6.162
   24    H    TYR   4           H        TYR   4  -0.615  -6.801  -3.682
   25    HA   TYR   4           HA       TYR   4  -1.683  -4.296  -4.756
   26   1HB   TYR   4          2HB       TYR   4  -2.811  -6.142  -2.645
   27   2HB   TYR   4          1HB       TYR   4  -3.656  -4.833  -3.461
   28    HD1  TYR   4           1HD      TYR   4  -1.807  -7.983  -4.305
   29    HD2  TYR   4           2HD      TYR   4  -5.022  -5.362  -5.245
   30    HE1  TYR   4           1HE      TYR   4  -2.548  -9.534  -6.056
   31    HE2  TYR   4           2HE      TYR   4  -5.768  -6.912  -6.996
   32    HH   TYR   4           HH       TYR   4  -4.242 -10.049  -7.465
   33    H    ILE   5           H        ILE   5   0.244  -3.154  -3.879
   34    HA   ILE   5           HA       ILE   5   0.508  -2.940  -1.004
   35    HB   ILE   5           HB       ILE   5   1.936  -1.258  -3.049
   36   1HG1  ILE   5          2HG1      ILE   5   2.185  -3.592  -3.722
   37   2HG1  ILE   5          1HG1      ILE   5   3.703  -2.977  -3.075
   38   1HG2  ILE   5          1HG2      ILE   5   2.350  -0.451  -0.885
   39   2HG2  ILE   5          2HG2      ILE   5   3.752  -1.450  -1.271
   40   3HG2  ILE   5          3HG2      ILE   5   2.487  -2.077  -0.213
   41   1HD1  ILE   5          1HD1      ILE   5   3.670  -4.379  -1.308
   42   2HD1  ILE   5          2HD1      ILE   5   2.674  -5.339  -2.400
   43   3HD1  ILE   5          3HD1      ILE   5   1.912  -4.338  -1.165
   44    H    ALA   6           H        ALA   6   0.636  -0.852   0.080
   45    HA   ALA   6           HA       ALA   6  -1.129   1.213  -1.062
   46   1HB   ALA   6          1HB       ALA   6  -2.560   0.115   0.456
   47   2HB   ALA   6          2HB       ALA   6  -1.992   1.552   1.306
   48   3HB   ALA   6          3HB       ALA   6  -1.291  -0.025   1.674
   49    H    ILE   7           H        ILE   7   0.223   2.883  -1.385
   50    HA   ILE   7           HA       ILE   7   2.362   3.402   0.544
   51    HB   ILE   7           HB       ILE   7   1.862   4.559  -2.202
   52   1HG1  ILE   7          2HG1      ILE   7   4.045   3.362  -2.691
   53   2HG1  ILE   7          1HG1      ILE   7   3.864   2.563  -1.133
   54   1HG2  ILE   7          1HG2      ILE   7   3.520   6.055  -1.933
   55   2HG2  ILE   7          2HG2      ILE   7   4.470   4.979  -0.910
   56   3HG2  ILE   7          3HG2      ILE   7   3.124   5.888  -0.223
   57   1HD1  ILE   7          1HD1      ILE   7   1.455   2.297  -2.668
   58   2HD1  ILE   7          2HD1      ILE   7   2.516   1.048  -2.014
   59   3HD1  ILE   7          3HD1      ILE   7   2.850   1.748  -3.599
   60    H    GLY   8           H        GLY   8   2.610   5.310   1.654
   61   1HA   GLY   8          2HA       GLY   8   0.584   7.410   1.311
   62   2HA   GLY   8          1HA       GLY   8   0.703   6.643   2.888
   63    H    SER   9           H        SER   9   1.406   9.422   1.573
   64    HA   SER   9           HA       SER   9   3.913   9.695   3.083
   65   1HB   SER   9          2HB       SER   9   4.532   9.545   0.731
   66   2HB   SER   9          1HB       SER   9   3.406  10.834   0.332
   67    HG   SER   9           HG       SER   9   5.098  12.045   0.655
   68    H    ASN  10           H        ASN  10   4.509  11.990   3.484
   69    HA   ASN  10           HA       ASN  10   2.451  13.984   3.375
   70   1HB   ASN  10          2HB       ASN  10   3.126  12.636   5.978
   71   2HB   ASN  10          1HB       ASN  10   2.468  14.266   5.922
   72   1HD2  ASN  10          1HD2      ASN  10   1.711  11.125   6.294
   73   2HD2  ASN  10          2HD2      ASN  10   0.050  11.154   5.799
   74    H    LEU  11           H        LEU  11   5.256  13.251   5.479
   75    HA   LEU  11           HA       LEU  11   6.193  15.868   5.631
   76   1HB   LEU  11          2HB       LEU  11   7.430  13.204   6.104
   77   2HB   LEU  11          1HB       LEU  11   8.462  14.619   6.081
   78    HG   LEU  11           HG       LEU  11   6.105  14.221   7.926
   79   1HD1  LEU  11          1HD1      LEU  11   7.613  12.816   8.882
   80   2HD1  LEU  11          2HD1      LEU  11   8.200  14.335   9.560
   81   3HD1  LEU  11          3HD1      LEU  11   8.998  13.629   8.155
   82   1HD2  LEU  11          1HD2      LEU  11   8.219  16.300   8.263
   83   2HD2  LEU  11          2HD2      LEU  11   6.559  16.280   8.858
   84   3HD2  LEU  11          3HD2      LEU  11   6.880  16.595   7.153
   85    H    ALA  12           H        ALA  12   6.868  13.401   3.270
   86    HA   ALA  12           HA       ALA  12   8.642  15.287   1.870
   87   1HB   ALA  12          1HB       ALA  12   9.116  12.948   0.611
   88   2HB   ALA  12          2HB       ALA  12   8.703  12.368   2.225
   89   3HB   ALA  12          3HB       ALA  12  10.024  13.519   2.013
   90    H    SER  13           H        SER  13   6.034  15.844   1.548
   91    HA   SER  13           HA       SER  13   4.440  16.241  -0.021
   92   1HB   SER  13          2HB       SER  13   6.564  15.226  -1.924
   93   2HB   SER  13          1HB       SER  13   5.093  16.073  -2.403
   94    HG   SER  13           HG       SER  13   7.206  17.086  -0.801
   95    HA   PRO  14           HA       PRO  14   2.603  12.094   0.525
   96   1HB   PRO  14          2HB       PRO  14   0.461  13.774  -0.669
   97   2HB   PRO  14          1HB       PRO  14   0.375  12.588   0.631
   98   1HG   PRO  14          2HG       PRO  14   0.421  15.199   1.171
   99   2HG   PRO  14          1HG       PRO  14   1.274  14.032   2.199
  100   1HD   PRO  14          2HD       PRO  14   2.364  15.999   0.274
  101   2HD   PRO  14          1HD       PRO  14   3.119  15.281   1.710
  102    H    LEU  15           H        LEU  15   2.434  14.140  -2.372
  103    HA   LEU  15           HA       LEU  15   1.655  11.914  -4.043
  104   1HB   LEU  15          2HB       LEU  15   0.709  14.082  -4.488
  105   2HB   LEU  15          1HB       LEU  15   2.304  14.784  -4.681
  106    HG   LEU  15           HG       LEU  15   2.658  13.428  -6.705
  107   1HD1  LEU  15          1HD1      LEU  15   1.187  11.550  -6.060
  108   2HD1  LEU  15          2HD1      LEU  15   0.866  12.154  -7.685
  109   3HD1  LEU  15          3HD1      LEU  15  -0.213  12.580  -6.358
  110   1HD2  LEU  15          1HD2      LEU  15   1.927  15.443  -7.424
  111   2HD2  LEU  15          2HD2      LEU  15   0.481  15.403  -6.417
  112   3HD2  LEU  15          3HD2      LEU  15   0.527  14.498  -7.930
  113    H    GLU  16           H        GLU  16   4.597  13.844  -3.556
  114    HA   GLU  16           HA       GLU  16   6.023  12.833  -5.751
  115   1HB   GLU  16          2HB       GLU  16   6.905  14.016  -3.142
  116   2HB   GLU  16          1HB       GLU  16   8.026  13.621  -4.440
  117   1HG   GLU  16          2HG       GLU  16   6.756  15.142  -5.923
  118   2HG   GLU  16          1HG       GLU  16   5.763  15.601  -4.542
  119    H    GLN  17           H        GLN  17   5.497  11.516  -2.546
  120    HA   GLN  17           HA       GLN  17   7.677   9.646  -2.802
  121   1HB   GLN  17          2HB       GLN  17   5.446   9.747  -0.777
  122   2HB   GLN  17          1HB       GLN  17   6.887   8.746  -0.670
  123   1HG   GLN  17          2HG       GLN  17   6.799  11.755  -0.656
  124   2HG   GLN  17          1HG       GLN  17   7.098  10.708   0.731
  125   1HE2  GLN  17          1HE2      GLN  17   9.129  10.313   1.228
  126   2HE2  GLN  17          2HE2      GLN  17  10.492  10.544   0.191
  127    H    VAL  18           H        VAL  18   4.377   9.712  -3.730
  128    HA   VAL  18           HA       VAL  18   4.083   6.837  -3.819
  129    HB   VAL  18           HB       VAL  18   2.308   9.023  -4.923
  130   1HG1  VAL  18          1HG1      VAL  18   1.677   7.209  -6.196
  131   2HG1  VAL  18          2HG1      VAL  18   0.626   7.026  -4.791
  132   3HG1  VAL  18          3HG1      VAL  18   2.084   6.044  -4.933
  133   1HG2  VAL  18          1HG2      VAL  18   2.241   9.217  -2.596
  134   2HG2  VAL  18          2HG2      VAL  18   2.331   7.472  -2.354
  135   3HG2  VAL  18          3HG2      VAL  18   0.851   8.200  -2.976
  136    H    ASN  19           H        ASN  19   4.951   9.417  -6.016
  137    HA   ASN  19           HA       ASN  19   4.596   8.043  -8.440
  138   1HB   ASN  19          2HB       ASN  19   6.580  10.216  -7.738
  139   2HB   ASN  19          1HB       ASN  19   6.221   9.674  -9.375
  140   1HD2  ASN  19          1HD2      ASN  19   5.665  12.082  -7.342
  141   2HD2  ASN  19          2HD2      ASN  19   4.088  12.576  -7.841
  142    H    ALA  20           H        ALA  20   7.553   8.471  -6.488
  143    HA   ALA  20           HA       ALA  20   9.072   6.657  -8.102
  144   1HB   ALA  20          1HB       ALA  20  10.206   7.081  -5.490
  145   2HB   ALA  20          2HB       ALA  20   9.650   8.602  -6.189
  146   3HB   ALA  20          3HB       ALA  20  10.798   7.594  -7.069
  147    H    ALA  21           H        ALA  21   7.100   6.340  -5.245
  148    HA   ALA  21           HA       ALA  21   8.145   3.965  -4.197
  149   1HB   ALA  21          1HB       ALA  21   5.289   4.932  -4.170
  150   2HB   ALA  21          2HB       ALA  21   6.535   5.316  -2.981
  151   3HB   ALA  21          3HB       ALA  21   5.951   3.659  -3.145
  152    H    LEU  22           H        LEU  22   5.580   4.466  -6.604
  153    HA   LEU  22           HA       LEU  22   5.367   1.621  -7.081
  154   1HB   LEU  22          2HB       LEU  22   3.657   2.277  -8.749
  155   2HB   LEU  22          1HB       LEU  22   3.332   2.871  -7.134
  156    HG   LEU  22           HG       LEU  22   4.406   5.074  -7.956
  157   1HD1  LEU  22          1HD1      LEU  22   4.870   3.601 -10.229
  158   2HD1  LEU  22          2HD1      LEU  22   4.912   5.360 -10.106
  159   3HD1  LEU  22          3HD1      LEU  22   3.443   4.549 -10.649
  160   1HD2  LEU  22          1HD2      LEU  22   1.859   4.246  -7.688
  161   2HD2  LEU  22          2HD2      LEU  22   1.872   4.687  -9.395
  162   3HD2  LEU  22          3HD2      LEU  22   2.317   5.877  -8.173
  163    H    LYS  23           H        LYS  23   6.888   4.397  -8.545
  164    HA   LYS  23           HA       LYS  23   7.363   3.313 -11.107
  165   1HB   LYS  23          2HB       LYS  23   7.594   5.728 -10.440
  166   2HB   LYS  23          1HB       LYS  23   9.095   5.307  -9.634
  167   1HG   LYS  23          2HG       LYS  23   8.643   4.788 -12.557
  168   2HG   LYS  23          1HG       LYS  23   9.264   6.323 -11.951
  169   1HD   LYS  23          2HD       LYS  23  11.132   5.116 -10.887
  170   2HD   LYS  23          1HD       LYS  23  10.522   3.607 -11.566
  171   1HE   LYS  23          2HE       LYS  23  11.470   6.015 -13.115
  172   2HE   LYS  23          1HE       LYS  23  12.331   4.487 -12.930
  173   1HZ   LYS  23          1HZ       LYS  23  10.985   3.444 -14.402
  174   2HZ   LYS  23          2HZ       LYS  23  10.821   5.011 -15.017
  175   3HZ   LYS  23          3HZ       LYS  23   9.622   4.368 -14.013
  176    H    ALA  24           H        ALA  24   9.217   3.205  -8.108
  177    HA   ALA  24           HA       ALA  24  11.545   2.019  -9.111
  178   1HB   ALA  24          1HB       ALA  24  11.366   1.068  -6.542
  179   2HB   ALA  24          2HB       ALA  24  10.375   2.528  -6.495
  180   3HB   ALA  24          3HB       ALA  24  12.055   2.618  -7.025
  181    H    LEU  25           H        LEU  25   8.420   0.680  -8.736
  182    HA   LEU  25           HA       LEU  25   9.220  -2.026  -8.264
  183   1HB   LEU  25          2HB       LEU  25   6.639  -0.921  -9.380
  184   2HB   LEU  25          1HB       LEU  25   6.892  -2.584  -8.881
  185    HG   LEU  25           HG       LEU  25   6.977  -0.167  -7.070
  186   1HD1  LEU  25          1HD1      LEU  25   4.752  -0.405  -7.181
  187   2HD1  LEU  25          2HD1      LEU  25   5.014  -1.813  -6.153
  188   3HD1  LEU  25          3HD1      LEU  25   4.859  -2.013  -7.898
  189   1HD2  LEU  25          1HD2      LEU  25   6.913  -2.079  -5.324
  190   2HD2  LEU  25          2HD2      LEU  25   8.450  -1.647  -6.070
  191   3HD2  LEU  25          3HD2      LEU  25   7.566  -3.068  -6.631
  192    H    GLY  26           H        GLY  26   9.226  -0.008 -11.007
  193   1HA   GLY  26          2HA       GLY  26   8.897  -2.072 -12.980
  194   2HA   GLY  26          1HA       GLY  26   9.439  -0.426 -13.273
  195    H    ASP  27           H        ASP  27  11.416  -1.219 -10.925
  196    HA   ASP  27           HA       ASP  27  13.417  -2.423 -12.726
  197   1HB   ASP  27          2HB       ASP  27  13.857  -0.060 -12.016
  198   2HB   ASP  27          1HB       ASP  27  13.926  -0.617 -10.349
  199    H    ILE  28           H        ILE  28  11.652  -2.754  -9.838
  200    HA   ILE  28           HA       ILE  28  13.336  -4.249  -8.204
  201    HB   ILE  28           HB       ILE  28  10.347  -4.302  -8.562
  202   1HG1  ILE  28          2HG1      ILE  28  11.328  -2.255  -7.619
  203   2HG1  ILE  28          1HG1      ILE  28  10.337  -3.100  -6.435
  204   1HG2  ILE  28          1HG2      ILE  28  11.809  -5.648  -6.306
  205   2HG2  ILE  28          2HG2      ILE  28  11.238  -6.507  -7.737
  206   3HG2  ILE  28          3HG2      ILE  28  10.084  -5.698  -6.676
  207   1HD1  ILE  28          1HD1      ILE  28  13.164  -3.840  -6.370
  208   2HD1  ILE  28          2HD1      ILE  28  12.062  -3.421  -5.057
  209   3HD1  ILE  28          3HD1      ILE  28  12.842  -2.147  -5.994
  210    HA   PRO  29           HA       PRO  29  13.885  -8.049 -10.413
  211   1HB   PRO  29          2HB       PRO  29  14.447  -9.706  -8.333
  212   2HB   PRO  29          1HB       PRO  29  15.598  -8.520  -8.957
  213   1HG   PRO  29          2HG       PRO  29  13.788  -8.333  -6.578
  214   2HG   PRO  29          1HG       PRO  29  15.492  -7.865  -6.725
  215   1HD   PRO  29          2HD       PRO  29  13.491  -6.057  -6.853
  216   2HD   PRO  29          1HD       PRO  29  14.986  -5.883  -7.794
  217    H    GLU  30           H        GLU  30  12.585  -9.630 -11.128
  218    HA   GLU  30           HA       GLU  30  10.730 -10.900 -11.417
  219   1HB   GLU  30          2HB       GLU  30  11.091 -11.245  -8.440
  220   2HB   GLU  30          1HB       GLU  30   9.931 -12.162  -9.392
  221   1HG   GLU  30          2HG       GLU  30  11.668 -13.622  -9.394
  222   2HG   GLU  30          1HG       GLU  30  12.041 -12.692 -10.842
  223    H    SER  31           H        SER  31  10.226  -8.164 -11.238
  224    HA   SER  31           HA       SER  31   7.473  -8.227 -10.214
  225   1HB   SER  31          2HB       SER  31   7.662  -6.011  -9.259
  226   2HB   SER  31          1HB       SER  31   8.929  -7.028  -8.569
  227    HG   SER  31           HG       SER  31   9.248  -5.206 -10.722
  228    H    HIS  32           H        HIS  32   5.984  -7.022 -11.378
  229    HA   HIS  32           HA       HIS  32   6.868  -5.313 -13.546
  230   1HB   HIS  32          2HB       HIS  32   7.009  -7.644 -14.448
  231   2HB   HIS  32          1HB       HIS  32   5.274  -7.792 -14.195
  232    HD1  HIS  32           1HD      HIS  32   7.496  -5.220 -15.930
  233    HD2  HIS  32           2HD      HIS  32   3.977  -7.355 -16.513
  234    HE1  HIS  32           1HE      HIS  32   6.642  -4.510 -18.187
  235    HE2  HIS  32           2HE      HIS  32   4.532  -5.841 -18.536
  236    H    ILE  33           H        ILE  33   5.618  -3.647 -12.714
  237    HA   ILE  33           HA       ILE  33   3.001  -3.896 -11.756
  238    HB   ILE  33           HB       ILE  33   4.566  -1.560 -12.790
  239   1HG1  ILE  33          2HG1      ILE  33   3.345  -2.290 -10.125
  240   2HG1  ILE  33          1HG1      ILE  33   5.051  -2.370 -10.554
  241   1HG2  ILE  33          1HG2      ILE  33   1.644  -1.569 -12.064
  242   2HG2  ILE  33          2HG2      ILE  33   2.387  -1.013 -13.565
  243   3HG2  ILE  33          3HG2      ILE  33   2.638  -0.112 -12.069
  244   1HD1  ILE  33          1HD1      ILE  33   5.282  -0.054 -10.548
  245   2HD1  ILE  33          2HD1      ILE  33   4.248  -0.388  -9.158
  246   3HD1  ILE  33          3HD1      ILE  33   3.543   0.214 -10.658
  247    H    LEU  34           H        LEU  34   1.026  -3.830 -12.645
  248    HA   LEU  34           HA       LEU  34   0.876  -3.930 -15.576
  249   1HB   LEU  34          2HB       LEU  34  -1.079  -4.891 -13.487
  250   2HB   LEU  34          1HB       LEU  34  -1.318  -5.013 -15.219
  251    HG   LEU  34           HG       LEU  34   0.863  -6.389 -13.652
  252   1HD1  LEU  34          1HD1      LEU  34  -1.475  -7.654 -15.049
  253   2HD1  LEU  34          2HD1      LEU  34  -1.518  -7.201 -13.345
  254   3HD1  LEU  34          3HD1      LEU  34  -0.346  -8.391 -13.913
  255   1HD2  LEU  34          1HD2      LEU  34   1.891  -6.410 -15.644
  256   2HD2  LEU  34          2HD2      LEU  34   0.429  -5.943 -16.511
  257   3HD2  LEU  34          3HD2      LEU  34   0.691  -7.630 -16.072
  258    H    THR  35           H        THR  35  -0.948  -2.640 -12.777
  259    HA   THR  35           HA       THR  35  -1.769  -0.398 -14.502
  260    HB   THR  35           HB       THR  35  -3.973  -0.396 -13.399
  261    HG1  THR  35           1HG      THR  35  -3.744  -1.390 -11.503
  262   1HG2  THR  35          1HG2      THR  35  -4.879  -2.529 -14.317
  263   2HG2  THR  35          2HG2      THR  35  -3.224  -2.988 -14.720
  264   3HG2  THR  35          3HG2      THR  35  -3.952  -1.563 -15.463
  265    H    VAL  36           H        VAL  36  -2.317   1.562 -13.359
  266    HA   VAL  36           HA       VAL  36  -1.200   1.740 -10.644
  267    HB   VAL  36           HB       VAL  36  -0.631   3.691 -12.884
  268   1HG1  VAL  36          1HG1      VAL  36   1.053   4.408 -10.930
  269   2HG1  VAL  36          2HG1      VAL  36  -0.292   3.821  -9.952
  270   3HG1  VAL  36          3HG1      VAL  36  -0.554   5.111 -11.125
  271   1HG2  VAL  36          1HG2      VAL  36   1.304   2.644 -13.262
  272   2HG2  VAL  36          2HG2      VAL  36   0.613   1.287 -12.372
  273   3HG2  VAL  36          3HG2      VAL  36   1.635   2.459 -11.539
  274    H    SER  37           H        SER  37  -2.392   2.904  -9.253
  275    HA   SER  37           HA       SER  37  -4.940   3.926 -10.112
  276   1HB   SER  37          2HB       SER  37  -5.368   4.308  -7.751
  277   2HB   SER  37          1HB       SER  37  -4.603   2.732  -7.939
  278    HG   SER  37           HG       SER  37  -3.556   5.106  -6.880
  279    H    SER  38           H        SER  38  -5.359   6.118  -8.489
  280    HA   SER  38           HA       SER  38  -3.568   8.112  -9.706
  281   1HB   SER  38          2HB       SER  38  -6.448   8.409  -8.819
  282   2HB   SER  38          1HB       SER  38  -5.457   9.698  -9.504
  283    HG   SER  38           HG       SER  38  -6.912   8.435 -10.963
  284    H    PHE  39           H        PHE  39  -4.098  10.323  -8.270
  285    HA   PHE  39           HA       PHE  39  -2.976   9.645  -5.670
  286   1HB   PHE  39          2HB       PHE  39  -2.731  12.286  -5.685
  287   2HB   PHE  39          1HB       PHE  39  -1.592  11.246  -6.525
  288    HD1  PHE  39           1HD      PHE  39  -0.947  12.034  -8.598
  289    HD2  PHE  39           2HD      PHE  39  -4.917  12.773  -7.258
  290    HE1  PHE  39           1HE      PHE  39  -1.423  13.240 -10.686
  291    HE2  PHE  39           2HE      PHE  39  -5.400  13.979  -9.345
  292    HZ   PHE  39           HZ       PHE  39  -3.589  14.191 -11.090
  293    H    TYR  40           H        TYR  40  -4.497   9.238  -4.209
  294    HA   TYR  40           HA       TYR  40  -6.853  10.982  -4.103
  295   1HB   TYR  40          2HB       TYR  40  -6.352   8.286  -2.825
  296   2HB   TYR  40          1HB       TYR  40  -7.827   9.227  -2.641
  297    HD1  TYR  40           1HD      TYR  40  -5.663   7.723  -5.276
  298    HD2  TYR  40           2HD      TYR  40  -9.596   8.861  -4.111
  299    HE1  TYR  40           1HE      TYR  40  -6.569   6.667  -7.307
  300    HE2  TYR  40           2HE      TYR  40 -10.508   7.806  -6.136
  301    HH   TYR  40           HH       TYR  40  -9.350   5.675  -7.782
  302    H    ARG  41           H        ARG  41  -7.388  12.121  -2.273
  303    HA   ARG  41           HA       ARG  41  -5.207  12.620  -0.441
  304   1HB   ARG  41          2HB       ARG  41  -6.983  14.304  -1.504
  305   2HB   ARG  41          1HB       ARG  41  -7.886  13.880  -0.060
  306   1HG   ARG  41          2HG       ARG  41  -5.949  14.603   1.310
  307   2HG   ARG  41          1HG       ARG  41  -5.137  15.095  -0.176
  308   1HD   ARG  41          2HD       ARG  41  -6.201  16.997   0.926
  309   2HD   ARG  41          1HD       ARG  41  -6.914  16.683  -0.657
  310    HE   ARG  41           HE       ARG  41  -8.905  16.412   0.401
  311   1HH1  ARG  41          1HH1      ARG  41  -6.373  15.678   2.684
  312   2HH1  ARG  41          2HH1      ARG  41  -7.467  15.371   3.992
  313   1HH2  ARG  41          1HH2      ARG  41 -10.347  16.014   2.119
  314   2HH2  ARG  41          2HH2      ARG  41  -9.724  15.560   3.670
  315    H    THR  42           H        THR  42  -4.950  11.407   1.335
  316    HA   THR  42           HA       THR  42  -7.367  10.344   2.666
  317    HB   THR  42           HB       THR  42  -6.329   8.216   2.982
  318    HG1  THR  42           1HG      THR  42  -4.042   9.611   2.250
  319   1HG2  THR  42          1HG2      THR  42  -5.652   8.987   0.157
  320   2HG2  THR  42          2HG2      THR  42  -7.281   8.602   0.714
  321   3HG2  THR  42          3HG2      THR  42  -6.015   7.375   0.779
  322    HA   PRO  43           HA       PRO  43  -5.650  12.308   6.283
  323   1HB   PRO  43          2HB       PRO  43  -7.109  10.831   8.113
  324   2HB   PRO  43          1HB       PRO  43  -7.669  12.300   7.312
  325   1HG   PRO  43          2HG       PRO  43  -8.238   9.448   6.656
  326   2HG   PRO  43          1HG       PRO  43  -9.313  10.856   6.581
  327   1HD   PRO  43          2HD       PRO  43  -8.210   9.788   4.372
  328   2HD   PRO  43          1HD       PRO  43  -8.484  11.535   4.531
  329    HA   PRO  44           HA       PRO  44  -2.122   9.470   6.691
  330   1HB   PRO  44          2HB       PRO  44  -1.961  11.502   8.897
  331   2HB   PRO  44          1HB       PRO  44  -0.651  10.788   7.948
  332   1HG   PRO  44          2HG       PRO  44  -1.612  13.173   7.302
  333   2HG   PRO  44          1HG       PRO  44  -1.188  12.002   6.044
  334   1HD   PRO  44          2HD       PRO  44  -3.843  12.935   6.918
  335   2HD   PRO  44          1HD       PRO  44  -3.353  12.208   5.378
  336    H    LEU  45           H        LEU  45  -3.924  10.623   9.553
  337    HA   LEU  45           HA       LEU  45  -4.811   9.475  11.330
  338   1HB   LEU  45          2HB       LEU  45  -5.503   7.650   9.872
  339   2HB   LEU  45          1HB       LEU  45  -3.873   7.006   9.848
  340    HG   LEU  45           HG       LEU  45  -4.047   6.504  12.260
  341   1HD1  LEU  45          1HD1      LEU  45  -5.549   8.013  13.169
  342   2HD1  LEU  45          2HD1      LEU  45  -6.484   6.520  13.129
  343   3HD1  LEU  45          3HD1      LEU  45  -6.741   7.754  11.896
  344   1HD2  LEU  45          1HD2      LEU  45  -5.584   4.629  12.046
  345   2HD2  LEU  45          2HD2      LEU  45  -4.610   4.807  10.586
  346   3HD2  LEU  45          3HD2      LEU  45  -6.288   5.353  10.599
  347    H    GLY  46           H        GLY  46  -3.560  10.233  12.891
  348   1HA   GLY  46          2HA       GLY  46  -2.048   9.648  14.683
  349   2HA   GLY  46          1HA       GLY  46  -1.080   8.759  13.507
  350    HA   PRO  47           HA       PRO  47   0.588  13.065  13.542
  351   1HB   PRO  47          2HB       PRO  47   2.600  12.976  15.153
  352   2HB   PRO  47          1HB       PRO  47   0.982  12.825  15.849
  353   1HG   PRO  47          2HG       PRO  47   2.994  10.673  15.266
  354   2HG   PRO  47          1HG       PRO  47   1.968  10.873  16.689
  355   1HD   PRO  47          2HD       PRO  47   1.400   9.255  14.466
  356   2HD   PRO  47          1HD       PRO  47   0.234   9.758  15.709
  357    H    GLN  48           H        GLN  48   2.300  13.908  12.361
  358    HA   GLN  48           HA       GLN  48   4.737  12.779  11.766
  359   1HB   GLN  48          2HB       GLN  48   4.448  11.885   9.494
  360   2HB   GLN  48          1HB       GLN  48   3.574  10.934  10.682
  361   1HG   GLN  48          2HG       GLN  48   2.430  12.904   8.721
  362   2HG   GLN  48          1HG       GLN  48   2.245  11.153   8.712
  363   1HE2  GLN  48          1HE2      GLN  48   1.106  10.210  10.585
  364   2HE2  GLN  48          2HE2      GLN  48  -0.200  11.106  11.269
  365    H    ASP  49           H        ASP  49   2.039  14.379  10.136
  366    HA   ASP  49           HA       ASP  49   3.100  16.919  10.053
  367   1HB   ASP  49          2HB       ASP  49   4.844  15.943   8.582
  368   2HB   ASP  49          1HB       ASP  49   3.585  15.436   7.461
  369    H    GLN  50           H        GLN  50   1.429  14.569   8.052
  370    HA   GLN  50           HA       GLN  50  -0.434  14.738   6.750
  371   1HB   GLN  50          2HB       GLN  50  -2.446  15.418   8.241
  372   2HB   GLN  50          1HB       GLN  50  -1.536  13.963   8.610
  373   1HG   GLN  50          2HG       GLN  50  -0.219  15.448  10.234
  374   2HG   GLN  50          1HG       GLN  50  -1.550  16.588  10.042
  375   1HE2  GLN  50          1HE2      GLN  50  -1.307  13.050  10.374
  376   2HE2  GLN  50          2HE2      GLN  50  -2.408  12.931  11.685
  377    HA   PRO  51           HA       PRO  51  -0.306  19.219   5.795
  378   1HB   PRO  51          2HB       PRO  51   1.091  19.100   3.528
  379   2HB   PRO  51          1HB       PRO  51   1.898  18.992   5.097
  380   1HG   PRO  51          2HG       PRO  51   1.256  16.833   3.143
  381   2HG   PRO  51          1HG       PRO  51   2.670  17.013   4.194
  382   1HD   PRO  51          2HD       PRO  51   0.430  15.401   4.700
  383   2HD   PRO  51          1HD       PRO  51   1.670  15.863   5.876
  384    H    ASP  52           H        ASP  52  -0.649  16.609   3.382
  385    HA   ASP  52           HA       ASP  52  -2.968  18.032   2.245
  386   1HB   ASP  52          2HB       ASP  52  -1.157  16.064   0.842
  387   2HB   ASP  52          1HB       ASP  52  -2.497  16.942   0.124
  388    H    TYR  53           H        TYR  53  -1.552  14.902   3.017
  389    HA   TYR  53           HA       TYR  53  -2.567  13.016   3.878
  390   1HB   TYR  53          2HB       TYR  53  -5.213  14.234   3.002
  391   2HB   TYR  53          1HB       TYR  53  -5.009  12.804   3.991
  392    HD1  TYR  53           1HD      TYR  53  -6.661  13.867   5.499
  393    HD2  TYR  53           2HD      TYR  53  -2.837  15.603   4.826
  394    HE1  TYR  53           1HE      TYR  53  -6.936  15.239   7.516
  395    HE2  TYR  53           2HE      TYR  53  -3.107  16.977   6.839
  396    HH   TYR  53           HH       TYR  53  -5.290  16.393   9.196
  397    H    LEU  54           H        LEU  54  -1.584  11.763   2.123
  398    HA   LEU  54           HA       LEU  54  -3.516  11.170  -0.003
  399   1HB   LEU  54          2HB       LEU  54  -2.030  12.890  -0.923
  400   2HB   LEU  54          1HB       LEU  54  -0.642  11.881  -0.576
  401    HG   LEU  54           HG       LEU  54  -2.810  10.936  -2.433
  402   1HD1  LEU  54          1HD1      LEU  54  -1.038  13.150  -2.838
  403   2HD1  LEU  54          2HD1      LEU  54  -2.259  12.485  -3.921
  404   3HD1  LEU  54          3HD1      LEU  54  -0.619  11.836  -3.937
  405   1HD2  LEU  54          1HD2      LEU  54  -1.434   9.141  -1.992
  406   2HD2  LEU  54          2HD2      LEU  54  -0.005  10.152  -1.778
  407   3HD2  LEU  54          3HD2      LEU  54  -0.633   9.845  -3.397
  408    H    ASN  55           H        ASN  55  -3.452   9.157  -0.863
  409    HA   ASN  55           HA       ASN  55  -1.354   7.278  -0.339
  410   1HB   ASN  55          2HB       ASN  55  -2.475   7.233   1.848
  411   2HB   ASN  55          1HB       ASN  55  -4.014   6.903   1.063
  412   1HD2  ASN  55          1HD2      ASN  55  -1.588   5.532   2.726
  413   2HD2  ASN  55          2HD2      ASN  55  -1.707   3.904   2.162
  414    H    ALA  56           H        ALA  56  -1.471   5.529  -1.735
  415    HA   ALA  56           HA       ALA  56  -3.935   4.948  -3.139
  416   1HB   ALA  56          1HB       ALA  56  -2.157   5.242  -5.266
  417   2HB   ALA  56          2HB       ALA  56  -1.954   6.694  -4.286
  418   3HB   ALA  56          3HB       ALA  56  -3.552   6.254  -4.891
  419    H    ALA  57           H        ALA  57  -3.839   3.033  -4.423
  420    HA   ALA  57           HA       ALA  57  -1.673   1.227  -3.585
  421   1HB   ALA  57          1HB       ALA  57  -4.312   0.401  -4.760
  422   2HB   ALA  57          2HB       ALA  57  -4.094   0.713  -3.039
  423   3HB   ALA  57          3HB       ALA  57  -3.174  -0.571  -3.826
  424    H    VAL  58           H        VAL  58  -1.325  -0.639  -5.263
  425    HA   VAL  58           HA       VAL  58  -1.657   0.023  -8.020
  426    HB   VAL  58           HB       VAL  58   0.098   1.593  -7.568
  427   1HG1  VAL  58          1HG1      VAL  58   2.338   0.830  -6.823
  428   2HG1  VAL  58          2HG1      VAL  58   1.642  -0.758  -6.493
  429   3HG1  VAL  58          3HG1      VAL  58   1.085   0.653  -5.594
  430   1HG2  VAL  58          1HG2      VAL  58   1.957   0.430  -9.032
  431   2HG2  VAL  58          2HG2      VAL  58   0.397   0.878  -9.720
  432   3HG2  VAL  58          3HG2      VAL  58   0.702  -0.790  -9.237
  433    H    ALA  59           H        ALA  59  -1.810  -1.840  -9.085
  434    HA   ALA  59           HA       ALA  59  -1.033  -4.293  -7.815
  435   1HB   ALA  59          1HB       ALA  59  -2.796  -3.483  -9.911
  436   2HB   ALA  59          2HB       ALA  59  -2.742  -5.009  -9.028
  437   3HB   ALA  59          3HB       ALA  59  -1.766  -4.798 -10.482
  438    H    LEU  60           H        LEU  60   0.896  -5.172  -7.910
  439    HA   LEU  60           HA       LEU  60   2.632  -4.609 -10.221
  440   1HB   LEU  60          2HB       LEU  60   3.640  -3.809  -8.205
  441   2HB   LEU  60          1HB       LEU  60   3.278  -5.301  -7.360
  442    HG   LEU  60           HG       LEU  60   4.882  -6.480  -8.902
  443   1HD1  LEU  60          1HD1      LEU  60   5.910  -5.455 -10.580
  444   2HD1  LEU  60          2HD1      LEU  60   6.307  -4.049  -9.593
  445   3HD1  LEU  60          3HD1      LEU  60   4.731  -4.163 -10.374
  446   1HD2  LEU  60          1HD2      LEU  60   6.896  -5.037  -7.849
  447   2HD2  LEU  60          2HD2      LEU  60   5.938  -6.200  -6.931
  448   3HD2  LEU  60          3HD2      LEU  60   5.557  -4.479  -6.845
  449    H    GLU  61           H        GLU  61   2.550  -6.266 -11.637
  450    HA   GLU  61           HA       GLU  61   1.900  -8.933 -10.803
  451   1HB   GLU  61          2HB       GLU  61   1.482  -7.827 -13.106
  452   2HB   GLU  61          1HB       GLU  61   3.170  -8.188 -13.434
  453   1HG   GLU  61          2HG       GLU  61   1.080 -10.231 -12.722
  454   2HG   GLU  61          1HG       GLU  61   1.609  -9.856 -14.357
  455    H    THR  62           H        THR  62   3.416  -9.451  -9.277
  456    HA   THR  62           HA       THR  62   6.174  -9.766 -10.242
  457    HB   THR  62           HB       THR  62   6.197  -8.097  -8.554
  458    HG1  THR  62           1HG      THR  62   7.273  -9.232  -6.806
  459   1HG2  THR  62          1HG2      THR  62   4.079  -9.662  -7.343
  460   2HG2  THR  62          2HG2      THR  62   4.479  -7.954  -7.162
  461   3HG2  THR  62          3HG2      THR  62   5.315  -9.165  -6.187
  462    H    SER  63           H        SER  63   7.156 -11.676  -9.998
  463    HA   SER  63           HA       SER  63   5.560 -13.872  -8.872
  464   1HB   SER  63          2HB       SER  63   7.917 -13.954 -10.783
  465   2HB   SER  63          1HB       SER  63   7.029 -15.363 -10.199
  466    HG   SER  63           HG       SER  63   5.220 -13.744 -11.157
  467    H    LEU  64           H        LEU  64   7.670 -11.720  -7.943
  468    HA   LEU  64           HA       LEU  64   9.857 -13.080  -6.842
  469   1HB   LEU  64          2HB       LEU  64   9.415 -10.567  -7.156
  470   2HB   LEU  64          1HB       LEU  64   8.559 -10.654  -5.635
  471    HG   LEU  64           HG       LEU  64  10.995  -9.852  -5.635
  472   1HD1  LEU  64          1HD1      LEU  64   9.489 -10.676  -3.693
  473   2HD1  LEU  64          2HD1      LEU  64  11.227 -10.523  -3.432
  474   3HD1  LEU  64          3HD1      LEU  64  10.516 -12.109  -3.733
  475   1HD2  LEU  64          1HD2      LEU  64  12.681 -11.259  -6.067
  476   2HD2  LEU  64          2HD2      LEU  64  11.468 -12.197  -6.937
  477   3HD2  LEU  64          3HD2      LEU  64  11.884 -12.617  -5.275
  478    H    ALA  65           H        ALA  65  10.275 -13.821  -4.724
  479    HA   ALA  65           HA       ALA  65   8.372 -15.413  -3.535
  480   1HB   ALA  65          1HB       ALA  65   9.906 -15.175  -1.453
  481   2HB   ALA  65          2HB       ALA  65  10.928 -14.229  -2.535
  482   3HB   ALA  65          3HB       ALA  65  10.546 -15.905  -2.925
  483    HA   PRO  66           HA       PRO  66   5.484 -12.624  -1.624
  484   1HB   PRO  66          2HB       PRO  66   5.186 -14.816   0.345
  485   2HB   PRO  66          1HB       PRO  66   3.963 -13.994  -0.624
  486   1HG   PRO  66          2HG       PRO  66   4.825 -16.490  -1.171
  487   2HG   PRO  66          1HG       PRO  66   4.274 -15.368  -2.427
  488   1HD   PRO  66          2HD       PRO  66   7.010 -16.273  -1.767
  489   2HD   PRO  66          1HD       PRO  66   6.352 -15.676  -3.305
  490    H    GLU  67           H        GLU  67   8.163 -14.113  -0.014
  491    HA   GLU  67           HA       GLU  67   7.801 -12.517   2.381
  492   1HB   GLU  67          2HB       GLU  67  10.059 -13.732   2.945
  493   2HB   GLU  67          1HB       GLU  67   8.521 -14.582   3.046
  494   1HG   GLU  67          2HG       GLU  67   8.879 -15.582   0.899
  495   2HG   GLU  67          1HG       GLU  67  10.350 -14.653   0.663
  496    H    GLU  68           H        GLU  68   9.850 -12.605  -0.455
  497    HA   GLU  68           HA       GLU  68  11.553 -10.530   0.644
  498   1HB   GLU  68          2HB       GLU  68  12.627 -12.255  -0.701
  499   2HB   GLU  68          1HB       GLU  68  11.599 -11.854  -2.072
  500   1HG   GLU  68          2HG       GLU  68  12.594  -9.639  -2.193
  501   2HG   GLU  68          1HG       GLU  68  13.594  -9.997  -0.790
  502    H    LEU  69           H        LEU  69   8.740 -10.833  -1.300
  503    HA   LEU  69           HA       LEU  69   8.932  -8.519  -2.845
  504   1HB   LEU  69          2HB       LEU  69   7.265 -10.019  -3.444
  505   2HB   LEU  69          1HB       LEU  69   6.631 -10.123  -1.820
  506    HG   LEU  69           HG       LEU  69   5.634  -7.918  -2.024
  507   1HD1  LEU  69          1HD1      LEU  69   5.789  -7.279  -4.711
  508   2HD1  LEU  69          2HD1      LEU  69   7.443  -7.713  -4.278
  509   3HD1  LEU  69          3HD1      LEU  69   6.601  -6.444  -3.387
  510   1HD2  LEU  69          1HD2      LEU  69   4.433  -9.906  -2.837
  511   2HD2  LEU  69          2HD2      LEU  69   5.061  -9.588  -4.453
  512   3HD2  LEU  69          3HD2      LEU  69   3.976  -8.429  -3.686
  513    H    LEU  70           H        LEU  70   7.038  -8.885   0.191
  514    HA   LEU  70           HA       LEU  70   6.643  -6.113   0.513
  515   1HB   LEU  70          2HB       LEU  70   5.287  -7.651   1.773
  516   2HB   LEU  70          1HB       LEU  70   6.699  -8.352   2.538
  517    HG   LEU  70           HG       LEU  70   6.076  -5.453   2.976
  518   1HD1  LEU  70          1HD1      LEU  70   5.017  -7.430   4.908
  519   2HD1  LEU  70          2HD1      LEU  70   4.100  -7.179   3.422
  520   3HD1  LEU  70          3HD1      LEU  70   4.430  -5.819   4.494
  521   1HD2  LEU  70          1HD2      LEU  70   8.105  -5.953   3.940
  522   2HD2  LEU  70          2HD2      LEU  70   7.629  -7.603   4.340
  523   3HD2  LEU  70          3HD2      LEU  70   7.001  -6.251   5.282
  524    H    ASN  71           H        ASN  71   9.221  -8.274   1.360
  525    HA   ASN  71           HA       ASN  71  10.661  -6.480   3.032
  526   1HB   ASN  71          2HB       ASN  71  10.918  -8.970   3.043
  527   2HB   ASN  71          1HB       ASN  71  11.711  -8.854   1.480
  528   1HD2  ASN  71          1HD2      ASN  71  12.411  -6.222   3.501
  529   2HD2  ASN  71          2HD2      ASN  71  13.958  -6.752   4.046
  530    H    HIS  72           H        HIS  72  10.417  -6.930  -0.405
  531    HA   HIS  72           HA       HIS  72  12.855  -5.494  -0.975
  532   1HB   HIS  72          2HB       HIS  72  12.609  -6.207  -3.131
  533   2HB   HIS  72          1HB       HIS  72  11.556  -7.390  -2.371
  534    HD1  HIS  72           1HD      HIS  72  10.873  -3.823  -3.560
  535    HD2  HIS  72           2HD      HIS  72   9.475  -7.716  -3.980
  536    HE1  HIS  72           1HE      HIS  72   8.870  -3.653  -5.065
  537    HE2  HIS  72           2HE      HIS  72   8.062  -6.023  -5.344
  538    H    THR  73           H        THR  73   9.377  -4.904  -1.000
  539    HA   THR  73           HA       THR  73   9.411  -2.368  -2.192
  540    HB   THR  73           HB       THR  73   7.246  -2.005  -1.069
  541    HG1  THR  73           1HG      THR  73   8.183  -3.416   0.821
  542   1HG2  THR  73          1HG2      THR  73   7.451  -4.856  -1.999
  543   2HG2  THR  73          2HG2      THR  73   7.300  -3.457  -3.063
  544   3HG2  THR  73          3HG2      THR  73   5.999  -3.856  -1.938
  545    H    GLN  74           H        GLN  74  10.018  -3.459   1.081
  546    HA   GLN  74           HA       GLN  74   9.978  -1.022   2.426
  547   1HB   GLN  74          2HB       GLN  74  11.669  -3.478   2.905
  548   2HB   GLN  74          1HB       GLN  74  11.589  -2.116   4.018
  549   1HG   GLN  74          2HG       GLN  74   9.357  -3.969   3.230
  550   2HG   GLN  74          1HG       GLN  74  10.126  -3.822   4.807
  551   1HE2  GLN  74          1HE2      GLN  74   9.068  -2.656   6.251
  552   2HE2  GLN  74          2HE2      GLN  74   7.900  -1.432   5.914
  553    H    ARG  75           H        ARG  75  12.320  -2.341   0.222
  554    HA   ARG  75           HA       ARG  75  14.533  -0.756   0.929
  555   1HB   ARG  75          2HB       ARG  75  13.699  -2.182  -1.564
  556   2HB   ARG  75          1HB       ARG  75  15.031  -1.035  -1.649
  557   1HG   ARG  75          2HG       ARG  75  14.904  -3.373   0.228
  558   2HG   ARG  75          1HG       ARG  75  15.755  -3.368  -1.315
  559   1HD   ARG  75          2HD       ARG  75  16.311  -1.580   1.051
  560   2HD   ARG  75          1HD       ARG  75  17.289  -2.949   0.531
  561    HE   ARG  75           HE       ARG  75  17.445  -0.325  -0.460
  562   1HH1  ARG  75          1HH1      ARG  75  17.472  -3.627  -1.587
  563   2HH1  ARG  75          2HH1      ARG  75  18.425  -3.273  -2.990
  564   1HH2  ARG  75          1HH2      ARG  75  18.697   0.143  -2.302
  565   2HH2  ARG  75          2HH2      ARG  75  19.121  -1.131  -3.395
  566    H    ILE  76           H        ILE  76  12.016  -0.255  -1.536
  567    HA   ILE  76           HA       ILE  76  12.754   2.153  -2.588
  568    HB   ILE  76           HB       ILE  76   9.926   1.388  -1.845
  569   1HG1  ILE  76          2HG1      ILE  76  11.485   0.862  -4.388
  570   2HG1  ILE  76          1HG1      ILE  76  11.104  -0.347  -3.164
  571   1HG2  ILE  76          1HG2      ILE  76   9.356   2.822  -3.817
  572   2HG2  ILE  76          2HG2      ILE  76  11.032   3.365  -3.831
  573   3HG2  ILE  76          3HG2      ILE  76  10.008   3.699  -2.436
  574   1HD1  ILE  76          1HD1      ILE  76   8.636   0.572  -3.708
  575   2HD1  ILE  76          2HD1      ILE  76   9.390  -0.788  -4.541
  576   3HD1  ILE  76          3HD1      ILE  76   9.418   0.818  -5.269
  577    H    GLU  77           H        GLU  77  11.350   1.536   0.558
  578    HA   GLU  77           HA       GLU  77  10.659   4.173   1.270
  579   1HB   GLU  77          2HB       GLU  77  10.404   1.742   2.450
  580   2HB   GLU  77          1HB       GLU  77  11.740   2.388   3.379
  581   1HG   GLU  77          2HG       GLU  77  10.363   4.346   3.947
  582   2HG   GLU  77          1HG       GLU  77   9.023   3.629   3.060
  583    H    LEU  78           H        LEU  78  13.582   2.254   1.895
  584    HA   LEU  78           HA       LEU  78  15.040   4.422   3.039
  585   1HB   LEU  78          2HB       LEU  78  16.047   1.819   1.879
  586   2HB   LEU  78          1HB       LEU  78  16.974   2.917   2.883
  587    HG   LEU  78           HG       LEU  78  14.524   1.390   3.769
  588   1HD1  LEU  78          1HD1      LEU  78  16.654   0.081   3.335
  589   2HD1  LEU  78          2HD1      LEU  78  15.957  -0.050   4.950
  590   3HD1  LEU  78          3HD1      LEU  78  17.358   0.986   4.675
  591   1HD2  LEU  78          1HD2      LEU  78  16.442   3.000   5.441
  592   2HD2  LEU  78          2HD2      LEU  78  14.932   2.243   5.951
  593   3HD2  LEU  78          3HD2      LEU  78  14.902   3.623   4.852
  594    H    GLN  79           H        GLN  79  14.481   3.229  -0.168
  595    HA   GLN  79           HA       GLN  79  16.704   4.466  -1.429
  596   1HB   GLN  79          2HB       GLN  79  14.044   3.775  -2.680
  597   2HB   GLN  79          1HB       GLN  79  15.569   4.026  -3.516
  598   1HG   GLN  79          2HG       GLN  79  16.405   2.029  -2.087
  599   2HG   GLN  79          1HG       GLN  79  14.691   1.716  -1.846
  600   1HE2  GLN  79          1HE2      GLN  79  13.871   0.311  -3.191
  601   2HE2  GLN  79          2HE2      GLN  79  14.378   0.043  -4.818
  602    H    GLN  80           H        GLN  80  13.480   5.476  -0.502
  603    HA   GLN  80           HA       GLN  80  13.731   8.027  -1.852
  604   1HB   GLN  80          2HB       GLN  80  11.615   6.569  -1.664
  605   2HB   GLN  80          1HB       GLN  80  11.550   7.106   0.008
  606   1HG   GLN  80          2HG       GLN  80  11.131   9.306  -0.592
  607   2HG   GLN  80          1HG       GLN  80  11.684   9.048  -2.249
  608   1HE2  GLN  80          1HE2      GLN  80  10.233   8.645  -3.729
  609   2HE2  GLN  80          2HE2      GLN  80   8.606   8.171  -3.435
  610    H    GLY  81           H        GLY  81  14.928   6.624   0.791
  611   1HA   GLY  81          2HA       GLY  81  16.056   7.511   2.592
  612   2HA   GLY  81          1HA       GLY  81  15.495   9.108   2.114
  613    H    ARG  82           H        ARG  82  14.466   6.088   3.707
  614    HA   ARG  82           HA       ARG  82  12.021   6.983   4.654
  615   1HB   ARG  82          2HB       ARG  82  12.077   4.831   5.259
  616   2HB   ARG  82          1HB       ARG  82  13.827   4.784   5.135
  617   1HG   ARG  82          2HG       ARG  82  14.112   4.938   7.322
  618   2HG   ARG  82          1HG       ARG  82  12.832   6.136   7.528
  619   1HD   ARG  82          2HD       ARG  82  11.146   4.357   7.309
  620   2HD   ARG  82          1HD       ARG  82  12.443   3.163   7.165
  621    HE   ARG  82           HE       ARG  82  11.412   4.239   9.565
  622   1HH1  ARG  82          1HH1      ARG  82  14.413   3.269   8.079
  623   2HH1  ARG  82          2HH1      ARG  82  15.197   2.932   9.587
  624   1HH2  ARG  82          1HH2      ARG  82  12.437   3.799  11.550
  625   2HH2  ARG  82          2HH2      ARG  82  14.074   3.233  11.559
  626    H    VAL  83           H        VAL  83  11.390   7.992   6.610
  627    HA   VAL  83           HA       VAL  83  13.609   9.422   7.927
  628    HB   VAL  83           HB       VAL  83  10.855  10.566   7.560
  629   1HG1  VAL  83          1HG1      VAL  83  13.398  11.466   8.677
  630   2HG1  VAL  83          2HG1      VAL  83  11.761  12.068   8.945
  631   3HG1  VAL  83          3HG1      VAL  83  12.678  12.605   7.539
  632   1HG2  VAL  83          1HG2      VAL  83  13.040  11.410   5.737
  633   2HG2  VAL  83          2HG2      VAL  83  11.302  11.313   5.455
  634   3HG2  VAL  83          3HG2      VAL  83  12.287   9.846   5.407
  635    H    ARG  84           H        ARG  84  13.554   9.732  10.111
  636    HA   ARG  84           HA       ARG  84  11.480   8.242  11.584
  637   1HB   ARG  84          2HB       ARG  84  14.297   8.925  12.444
  638   2HB   ARG  84          1HB       ARG  84  13.143   7.965  13.359
  639   1HG   ARG  84          2HG       ARG  84  13.177   6.251  11.636
  640   2HG   ARG  84          1HG       ARG  84  14.300   7.222  10.679
  641   1HD   ARG  84          2HD       ARG  84  15.925   7.107  12.530
  642   2HD   ARG  84          1HD       ARG  84  14.810   6.075  13.423
  643    HE   ARG  84           HE       ARG  84  15.266   4.907  10.926
  644   1HH1  ARG  84          1HH1      ARG  84  17.004   5.652  13.852
  645   2HH1  ARG  84          2HH1      ARG  84  18.119   4.337  13.679
  646   1HH2  ARG  84          1HH2      ARG  84  16.732   3.174  10.687
  647   2HH2  ARG  84          2HH2      ARG  84  17.964   2.931  11.880
  648    H    LYS  85           H        LYS  85  12.487  11.313  10.854
  649    HA   LYS  85           HA       LYS  85  12.443  12.775  13.182
  650   1HB   LYS  85          2HB       LYS  85  12.994  13.753  11.036
  651   2HB   LYS  85          1HB       LYS  85  11.350  13.505  10.466
  652   1HG   LYS  85          2HG       LYS  85  10.541  15.101  12.139
  653   2HG   LYS  85          1HG       LYS  85  12.201  15.361  12.679
  654   1HD   LYS  85          2HD       LYS  85  12.808  16.202  10.483
  655   2HD   LYS  85          1HD       LYS  85  11.184  15.870   9.884
  656   1HE   LYS  85          2HE       LYS  85  10.269  17.479  11.485
  657   2HE   LYS  85          1HE       LYS  85  11.896  17.814  12.075
  658   1HZ   LYS  85          1HZ       LYS  85  11.360  19.510  10.549
  659   2HZ   LYS  85          2HZ       LYS  85  10.782  18.416   9.396
  660   3HZ   LYS  85          3HZ       LYS  85  12.436  18.490   9.736
  661    H    ALA  86           H        ALA  86   9.794  11.317  11.488
  662    HA   ALA  86           HA       ALA  86   7.858  12.553  13.330
  663   1HB   ALA  86          1HB       ALA  86   7.537  12.648  10.792
  664   2HB   ALA  86          2HB       ALA  86   6.168  12.114  11.773
  665   3HB   ALA  86          3HB       ALA  86   7.151  10.929  10.913
  666    H    GLU  87           H        GLU  87   5.901  10.968  13.679
  667    HA   GLU  87           HA       GLU  87   7.035   8.624  14.933
  668   1HB   GLU  87          2HB       GLU  87   5.444   9.970  16.223
  669   2HB   GLU  87          1HB       GLU  87   4.213   9.688  15.002
  670   1HG   GLU  87          2HG       GLU  87   4.125   7.362  15.525
  671   2HG   GLU  87          1HG       GLU  87   5.525   7.495  16.588
  672    H    ARG  88           H        ARG  88   7.022   6.679  14.131
  673    HA   ARG  88           HA       ARG  88   6.180   6.179  11.524
  674   1HB   ARG  88          2HB       ARG  88   6.363   3.819  13.275
  675   2HB   ARG  88          1HB       ARG  88   7.151   4.185  11.748
  676   1HG   ARG  88          2HG       ARG  88   8.775   5.580  12.865
  677   2HG   ARG  88          1HG       ARG  88   7.973   5.302  14.412
  678   1HD   ARG  88          2HD       ARG  88   9.938   3.876  14.174
  679   2HD   ARG  88          1HD       ARG  88   8.461   2.915  14.243
  680    HE   ARG  88           HE       ARG  88   9.075   3.416  11.557
  681   1HH1  ARG  88          1HH1      ARG  88  10.317   1.629  14.279
  682   2HH1  ARG  88          2HH1      ARG  88  11.067   0.412  13.303
  683   1HH2  ARG  88          1HH2      ARG  88  10.060   1.819  10.264
  684   2HH2  ARG  88          2HH2      ARG  88  10.922   0.520  11.020
  685    H    TRP  89           H        TRP  89   4.471   5.924  14.561
  686    HA   TRP  89           HA       TRP  89   2.395   4.199  13.855
  687   1HB   TRP  89          2HB       TRP  89   2.685   5.191  16.132
  688   2HB   TRP  89          1HB       TRP  89   2.142   6.741  15.496
  689    HD1  TRP  89           HD       TRP  89   0.567   3.235  14.962
  690    HE1  TRP  89           1HE      TRP  89  -1.890   3.345  15.713
  691    HE3  TRP  89           3HE      TRP  89   0.462   8.044  16.704
  692    HZ2  TRP  89           2HZ      TRP  89  -3.640   5.216  16.887
  693    HZ3  TRP  89           3HZ      TRP  89  -1.647   8.914  17.624
  694    HH2  TRP  89           HH       TRP  89  -3.655   7.529  17.713
  695    H    GLY  90           H        GLY  90   3.139   7.457  13.038
  696   1HA   GLY  90          2HA       GLY  90   0.729   7.771  11.388
  697   2HA   GLY  90          1HA       GLY  90   1.859   9.046  11.835
  698    HA   PRO  91           HA       PRO  91   2.651   6.878   7.459
  699   1HB   PRO  91          2HB       PRO  91   2.528   9.828   6.937
  700   2HB   PRO  91          1HB       PRO  91   2.124   8.483   5.862
  701   1HG   PRO  91          2HG       PRO  91   0.225   9.877   7.145
  702   2HG   PRO  91          1HG       PRO  91   0.067   8.139   6.843
  703   1HD   PRO  91          2HD       PRO  91   0.533   9.568   9.376
  704   2HD   PRO  91          1HD       PRO  91  -0.099   7.934   9.107
  705    H    ARG  92           H        ARG  92   3.681  10.052   8.657
  706    HA   ARG  92           HA       ARG  92   5.654  10.954   9.175
  707   1HB   ARG  92          2HB       ARG  92   6.591   9.652  10.702
  708   2HB   ARG  92          1HB       ARG  92   5.870   8.232   9.969
  709   1HG   ARG  92          2HG       ARG  92   8.445   9.422   8.997
  710   2HG   ARG  92          1HG       ARG  92   8.366   8.207  10.271
  711   1HD   ARG  92          2HD       ARG  92   7.349   6.629   8.825
  712   2HD   ARG  92          1HD       ARG  92   7.096   7.839   7.578
  713    HE   ARG  92           HE       ARG  92   9.803   7.731   7.913
  714   1HH1  ARG  92          1HH1      ARG  92   7.293   5.430   7.219
  715   2HH1  ARG  92          2HH1      ARG  92   8.258   4.513   6.113
  716   1HH2  ARG  92          1HH2      ARG  92  11.067   6.555   6.425
  717   2HH2  ARG  92          2HH2      ARG  92  10.397   5.154   5.657
  718    H    THR  93           H        THR  93   5.733   8.664   6.608
  719    HA   THR  93           HA       THR  93   7.011  10.456   4.845
  720    HB   THR  93           HB       THR  93   8.704   8.061   5.611
  721    HG1  THR  93           1HG      THR  93   9.248  10.794   6.094
  722   1HG2  THR  93          1HG2      THR  93   9.620  10.400   4.001
  723   2HG2  THR  93          2HG2      THR  93   8.813   9.034   3.231
  724   3HG2  THR  93          3HG2      THR  93  10.315   8.784   4.122
  725    H    LEU  94           H        LEU  94   7.233   6.882   5.104
  726    HA   LEU  94           HA       LEU  94   5.014   6.425   3.396
  727   1HB   LEU  94          2HB       LEU  94   5.982   5.809   1.362
  728   2HB   LEU  94          1HB       LEU  94   6.745   7.333   1.771
  729    HG   LEU  94           HG       LEU  94   8.044   4.672   2.327
  730   1HD1  LEU  94          1HD1      LEU  94   8.121   4.464   0.089
  731   2HD1  LEU  94          2HD1      LEU  94   9.416   5.654   0.224
  732   3HD1  LEU  94          3HD1      LEU  94   7.782   6.171  -0.190
  733   1HD2  LEU  94          1HD2      LEU  94  10.094   6.139   2.233
  734   2HD2  LEU  94          2HD2      LEU  94   9.025   6.396   3.612
  735   3HD2  LEU  94          3HD2      LEU  94   8.999   7.522   2.258
  736    H    ASP  95           H        ASP  95   4.339   4.401   3.590
  737    HA   ASP  95           HA       ASP  95   6.208   2.349   4.548
  738   1HB   ASP  95          2HB       ASP  95   4.955   3.195   6.498
  739   2HB   ASP  95          1HB       ASP  95   3.438   2.859   5.668
  740    H    LEU  96           H        LEU  96   6.234   1.533   2.448
  741    HA   LEU  96           HA       LEU  96   3.715   0.635   1.304
  742   1HB   LEU  96          2HB       LEU  96   4.901   0.267  -0.728
  743   2HB   LEU  96          1HB       LEU  96   5.407   1.813  -0.095
  744    HG   LEU  96           HG       LEU  96   7.022  -0.725   0.158
  745   1HD1  LEU  96          1HD1      LEU  96   6.560   0.693  -2.146
  746   2HD1  LEU  96          2HD1      LEU  96   7.961  -0.328  -1.827
  747   3HD1  LEU  96          3HD1      LEU  96   8.052   1.407  -1.537
  748   1HD2  LEU  96          1HD2      LEU  96   8.142   0.448   1.687
  749   2HD2  LEU  96          2HD2      LEU  96   7.233   1.916   1.328
  750   3HD2  LEU  96          3HD2      LEU  96   8.659   1.506   0.373
  751    H    ASP  97           H        ASP  97   2.996  -1.145   2.259
  752    HA   ASP  97           HA       ASP  97   4.824  -3.449   2.463
  753   1HB   ASP  97          2HB       ASP  97   2.742  -2.468   4.404
  754   2HB   ASP  97          1HB       ASP  97   3.340  -4.120   4.443
  755    H    ILE  98           H        ILE  98   3.849  -5.543   2.311
  756    HA   ILE  98           HA       ILE  98   1.954  -5.780   0.241
  757    HB   ILE  98           HB       ILE  98   3.275  -7.703   2.106
  758   1HG1  ILE  98          2HG1      ILE  98   4.292  -6.986  -0.038
  759   2HG1  ILE  98          1HG1      ILE  98   4.019  -8.721   0.041
  760   1HG2  ILE  98          1HG2      ILE  98   0.830  -8.370   0.470
  761   2HG2  ILE  98          2HG2      ILE  98   1.049  -8.566   2.209
  762   3HG2  ILE  98          3HG2      ILE  98   1.960  -9.578   1.088
  763   1HD1  ILE  98          1HD1      ILE  98   1.799  -7.256  -1.142
  764   2HD1  ILE  98          2HD1      ILE  98   2.655  -8.685  -1.718
  765   3HD1  ILE  98          3HD1      ILE  98   3.316  -7.079  -2.025
  766    H    MET  99           H        MET  99  -0.005  -4.955   0.527
  767    HA   MET  99           HA       MET  99  -1.444  -5.429   3.026
  768   1HB   MET  99          2HB       MET  99  -2.234  -3.755   0.635
  769   2HB   MET  99          1HB       MET  99  -3.039  -3.784   2.196
  770   1HG   MET  99          2HG       MET  99  -0.231  -2.842   1.684
  771   2HG   MET  99          1HG       MET  99  -1.639  -1.809   1.926
  772   1HE   MET  99          1HE       MET  99  -0.366  -0.635   4.781
  773   2HE   MET  99          2HE       MET  99   0.387  -0.955   3.218
  774   3HE   MET  99          3HE       MET  99   1.056  -1.675   4.682
  775    H    LEU 100           H        LEU 100  -1.145  -6.607  -0.136
  776    HA   LEU 100           HA       LEU 100  -3.071  -8.655   0.295
  777   1HB   LEU 100          2HB       LEU 100  -3.898  -6.263  -1.166
  778   2HB   LEU 100          1HB       LEU 100  -4.101  -7.720  -2.120
  779    HG   LEU 100           HG       LEU 100  -5.300  -7.164   0.603
  780   1HD1  LEU 100          1HD1      LEU 100  -6.529  -5.972  -1.002
  781   2HD1  LEU 100          2HD1      LEU 100  -7.435  -7.460  -0.730
  782   3HD1  LEU 100          3HD1      LEU 100  -6.436  -7.287  -2.171
  783   1HD2  LEU 100          1HD2      LEU 100  -6.553  -9.388  -0.331
  784   2HD2  LEU 100          2HD2      LEU 100  -5.231  -9.392   0.836
  785   3HD2  LEU 100          3HD2      LEU 100  -4.897  -9.665  -0.874
  786    H    PHE 101           H        PHE 101  -2.136 -10.381  -0.551
  787    HA   PHE 101           HA       PHE 101  -0.792 -10.155  -3.139
  788   1HB   PHE 101          2HB       PHE 101   0.874  -9.886  -1.230
  789   2HB   PHE 101          1HB       PHE 101   0.514 -11.553  -0.800
  790    HD1  PHE 101           1HD      PHE 101   2.514 -12.657  -1.229
  791    HD2  PHE 101           2HD      PHE 101   0.864 -10.103  -4.199
  792    HE1  PHE 101           1HE      PHE 101   4.202 -13.447  -2.834
  793    HE2  PHE 101           2HE      PHE 101   2.553 -10.882  -5.808
  794    HZ   PHE 101           HZ       PHE 101   4.206 -12.557  -5.146
  795    H    GLY 102           H        GLY 102  -2.147 -11.454  -4.253
  796   1HA   GLY 102          2HA       GLY 102  -3.365 -13.317  -4.849
  797   2HA   GLY 102          1HA       GLY 102  -1.951 -14.182  -4.260
  798    H    ASN 103           H        ASN 103  -2.488 -15.748  -2.900
  799    HA   ASN 103           HA       ASN 103  -4.421 -15.145  -0.795
  800   1HB   ASN 103          2HB       ASN 103  -5.553 -17.296  -1.066
  801   2HB   ASN 103          1HB       ASN 103  -5.694 -16.326  -2.525
  802   1HD2  ASN 103          1HD2      ASN 103  -2.592 -17.332  -2.529
  803   2HD2  ASN 103          2HD2      ASN 103  -2.757 -18.794  -3.429
  804    H    GLU 104           H        GLU 104  -1.386 -15.873  -1.398
  805    HA   GLU 104           HA       GLU 104  -0.854 -18.171   0.154
  806   1HB   GLU 104          2HB       GLU 104   1.446 -16.954   0.463
  807   2HB   GLU 104          1HB       GLU 104   0.984 -17.631  -1.086
  808   1HG   GLU 104          2HG       GLU 104   0.288 -14.801  -0.537
  809   2HG   GLU 104          1HG       GLU 104   1.978 -15.196  -0.851
  810    H    VAL 105           H        VAL 105   0.456 -18.086   2.196
  811    HA   VAL 105           HA       VAL 105  -0.214 -15.891   3.980
  812    HB   VAL 105           HB       VAL 105  -1.133 -18.725   4.466
  813   1HG1  VAL 105          1HG1      VAL 105  -1.935 -17.938   6.643
  814   2HG1  VAL 105          2HG1      VAL 105  -1.217 -16.355   6.340
  815   3HG1  VAL 105          3HG1      VAL 105  -0.185 -17.775   6.516
  816   1HG2  VAL 105          1HG2      VAL 105  -3.334 -17.393   4.844
  817   2HG2  VAL 105          2HG2      VAL 105  -2.797 -17.733   3.199
  818   3HG2  VAL 105          3HG2      VAL 105  -2.527 -16.139   3.904
  819    H    ILE 106           H        ILE 106   2.041 -15.571   3.995
  820    HA   ILE 106           HA       ILE 106   3.526 -17.582   5.556
  821    HB   ILE 106           HB       ILE 106   4.609 -15.783   3.380
  822   1HG1  ILE 106          2HG1      ILE 106   5.296 -18.042   2.406
  823   2HG1  ILE 106          1HG1      ILE 106   4.205 -18.767   3.581
  824   1HG2  ILE 106          1HG2      ILE 106   6.342 -15.828   4.912
  825   2HG2  ILE 106          2HG2      ILE 106   6.723 -17.197   3.865
  826   3HG2  ILE 106          3HG2      ILE 106   5.970 -17.470   5.437
  827   1HD1  ILE 106          1HD1      ILE 106   2.589 -18.537   2.094
  828   2HD1  ILE 106          2HD1      ILE 106   3.624 -17.577   1.036
  829   3HD1  ILE 106          3HD1      ILE 106   2.703 -16.791   2.318
  830    H    ASN 107           H        ASN 107   4.634 -16.871   7.304
  831    HA   ASN 107           HA       ASN 107   4.658 -13.967   7.827
  832   1HB   ASN 107          2HB       ASN 107   4.199 -16.214   9.806
  833   2HB   ASN 107          1HB       ASN 107   4.396 -14.524  10.243
  834   1HD2  ASN 107          1HD2      ASN 107   2.765 -14.381   7.430
  835   2HD2  ASN 107          2HD2      ASN 107   1.147 -14.407   8.015
  836    H    THR 108           H        THR 108   6.727 -13.358   7.577
  837    HA   THR 108           HA       THR 108   8.821 -15.128   8.650
  838    HB   THR 108           HB       THR 108  10.389 -13.876   7.215
  839    HG1  THR 108           1HG      THR 108   9.222 -12.536   5.568
  840   1HG2  THR 108          1HG2      THR 108   9.791 -14.772   5.141
  841   2HG2  THR 108          2HG2      THR 108   8.068 -14.683   5.503
  842   3HG2  THR 108          3HG2      THR 108   9.085 -15.861   6.333
  843    H    GLU 109           H        GLU 109  10.081 -12.073   8.116
  844    HA   GLU 109           HA       GLU 109   9.900 -11.473  10.989
  845   1HB   GLU 109          2HB       GLU 109  11.988 -10.111  10.577
  846   2HB   GLU 109          1HB       GLU 109  12.167 -11.851  10.434
  847   1HG   GLU 109          2HG       GLU 109  11.950 -11.576   7.957
  848   2HG   GLU 109          1HG       GLU 109  12.010  -9.833   8.214
  849    H    ARG 110           H        ARG 110  10.279  -9.723   7.901
  850    HA   ARG 110           HA       ARG 110   8.752  -7.505   9.073
  851   1HB   ARG 110          2HB       ARG 110  10.439  -7.538   6.564
  852   2HB   ARG 110          1HB       ARG 110   9.651  -6.135   7.264
  853   1HG   ARG 110          2HG       ARG 110  11.045  -6.398   9.288
  854   2HG   ARG 110          1HG       ARG 110  11.886  -7.730   8.493
  855   1HD   ARG 110          2HD       ARG 110  12.602  -6.210   6.710
  856   2HD   ARG 110          1HD       ARG 110  11.764  -4.881   7.511
  857    HE   ARG 110           HE       ARG 110  13.578  -6.048   9.312
  858   1HH1  ARG 110          1HH1      ARG 110  13.538  -4.107   6.418
  859   2HH1  ARG 110          2HH1      ARG 110  15.047  -3.333   6.765
  860   1HH2  ARG 110          1HH2      ARG 110  15.563  -5.036   9.774
  861   2HH2  ARG 110          2HH2      ARG 110  16.199  -3.861   8.673
  862    H    LEU 111           H        LEU 111   8.805  -9.900   6.586
  863    HA   LEU 111           HA       LEU 111   6.764  -8.827   4.952
  864   1HB   LEU 111          2HB       LEU 111   8.174 -10.429   3.951
  865   2HB   LEU 111          1HB       LEU 111   7.957 -11.561   5.264
  866    HG   LEU 111           HG       LEU 111   6.854 -12.112   3.041
  867   1HD1  LEU 111          1HD1      LEU 111   5.808 -13.564   4.325
  868   2HD1  LEU 111          2HD1      LEU 111   4.560 -12.359   4.640
  869   3HD1  LEU 111          3HD1      LEU 111   5.954 -12.488   5.713
  870   1HD2  LEU 111          1HD2      LEU 111   5.924  -9.644   2.994
  871   2HD2  LEU 111          2HD2      LEU 111   4.582 -10.390   3.861
  872   3HD2  LEU 111          3HD2      LEU 111   5.037 -10.982   2.262
  873    H    THR 112           H        THR 112   4.655  -8.939   5.027
  874    HA   THR 112           HA       THR 112   3.312 -10.772   6.847
  875    HB   THR 112           HB       THR 112   1.727  -8.703   7.269
  876    HG1  THR 112           1HG      THR 112   3.935  -7.146   7.488
  877   1HG2  THR 112          1HG2      THR 112   4.033  -8.258   8.959
  878   2HG2  THR 112          2HG2      THR 112   3.602  -9.963   8.830
  879   3HG2  THR 112          3HG2      THR 112   2.401  -8.788   9.373
  880    H    VAL 113           H        VAL 113   1.432 -11.555   6.011
  881    HA   VAL 113           HA       VAL 113   0.827 -10.822   3.269
  882    HB   VAL 113           HB       VAL 113   0.719 -13.205   4.682
  883   1HG1  VAL 113          1HG1      VAL 113  -2.140 -12.599   4.042
  884   2HG1  VAL 113          2HG1      VAL 113  -1.470 -12.301   5.644
  885   3HG1  VAL 113          3HG1      VAL 113  -1.469 -13.934   4.977
  886   1HG2  VAL 113          1HG2      VAL 113   0.969 -13.652   2.513
  887   2HG2  VAL 113          2HG2      VAL 113  -0.004 -12.268   2.012
  888   3HG2  VAL 113          3HG2      VAL 113  -0.790 -13.772   2.491
  889    HA   PRO 114           HA       PRO 114  -2.928  -8.297   3.483
  890   1HB   PRO 114          2HB       PRO 114  -4.427 -10.771   4.297
  891   2HB   PRO 114          1HB       PRO 114  -4.956  -9.439   3.262
  892   1HG   PRO 114          2HG       PRO 114  -3.893 -11.808   2.319
  893   2HG   PRO 114          1HG       PRO 114  -3.889 -10.279   1.425
  894   1HD   PRO 114          2HD       PRO 114  -1.631 -11.715   2.419
  895   2HD   PRO 114          1HD       PRO 114  -1.631 -10.126   1.635
  896    H    HIS 115           H        HIS 115  -1.928  -7.299   5.272
  897    HA   HIS 115           HA       HIS 115  -2.194  -8.267   7.928
  898   1HB   HIS 115          2HB       HIS 115  -0.304  -6.893   7.251
  899   2HB   HIS 115          1HB       HIS 115  -1.379  -5.574   6.823
  900    HD1  HIS 115           1HD      HIS 115  -1.140  -7.616  10.034
  901    HD2  HIS 115           2HD      HIS 115  -0.947  -3.688   8.689
  902    HE1  HIS 115           1HE      HIS 115  -0.871  -6.209  12.102
  903    HE2  HIS 115           2HE      HIS 115  -0.811  -3.832  11.269
  904    H    TYR 116           H        TYR 116  -4.064  -8.315   8.954
  905    HA   TYR 116           HA       TYR 116  -6.395  -6.988   8.330
  906   1HB   TYR 116          2HB       TYR 116  -6.778  -7.225  10.955
  907   2HB   TYR 116          1HB       TYR 116  -6.794  -8.622   9.888
  908    HD1  TYR 116           1HD      TYR 116  -3.863  -6.722  11.161
  909    HD2  TYR 116           2HD      TYR 116  -6.039 -10.378  11.292
  910    HE1  TYR 116           1HE      TYR 116  -2.071  -7.737  12.501
  911    HE2  TYR 116           2HE      TYR 116  -4.251 -11.401  12.629
  912    HH   TYR 116           HH       TYR 116  -1.258  -9.662  13.339
  913    H    ASP 117           H        ASP 117  -6.032  -4.855   7.761
  914    HA   ASP 117           HA       ASP 117  -6.194  -2.922   9.830
  915   1HB   ASP 117          2HB       ASP 117  -3.710  -3.668   9.804
  916   2HB   ASP 117          1HB       ASP 117  -3.617  -2.820   8.267
  917    H    MET 118           H        MET 118  -5.509  -3.801   6.561
  918    HA   MET 118           HA       MET 118  -6.022  -1.231   5.401
  919   1HB   MET 118          2HB       MET 118  -5.454  -2.260   3.370
  920   2HB   MET 118          1HB       MET 118  -4.444  -3.063   4.562
  921   1HG   MET 118          2HG       MET 118  -7.056  -4.152   3.541
  922   2HG   MET 118          1HG       MET 118  -5.475  -4.582   2.887
  923   1HE   MET 118          1HE       MET 118  -7.608  -6.713   3.939
  924   2HE   MET 118          2HE       MET 118  -6.550  -7.812   4.823
  925   3HE   MET 118          3HE       MET 118  -6.033  -7.145   3.275
  926    H    LYS 119           H        LYS 119  -7.898  -3.993   6.222
  927    HA   LYS 119           HA       LYS 119 -10.017  -3.378   4.339
  928   1HB   LYS 119          2HB       LYS 119 -11.112  -5.351   5.696
  929   2HB   LYS 119          1HB       LYS 119  -9.878  -5.645   4.479
  930   1HG   LYS 119          2HG       LYS 119  -8.180  -5.700   6.267
  931   2HG   LYS 119          1HG       LYS 119  -9.475  -5.531   7.459
  932   1HD   LYS 119          2HD       LYS 119 -10.495  -7.609   6.642
  933   2HD   LYS 119          1HD       LYS 119  -9.197  -7.779   5.462
  934   1HE   LYS 119          2HE       LYS 119  -8.830  -9.189   7.430
  935   2HE   LYS 119          1HE       LYS 119  -7.567  -7.973   7.252
  936   1HZ   LYS 119          1HZ       LYS 119  -8.716  -8.405   9.548
  937   2HZ   LYS 119          2HZ       LYS 119  -9.880  -7.340   8.938
  938   3HZ   LYS 119          3HZ       LYS 119  -8.269  -6.840   9.085
  939    H    ASN 120           H        ASN 120  -9.141  -1.869   6.931
  940    HA   ASN 120           HA       ASN 120 -11.904  -1.339   7.789
  941   1HB   ASN 120          2HB       ASN 120 -11.184  -0.957  10.041
  942   2HB   ASN 120          1HB       ASN 120 -10.486  -2.489   9.549
  943   1HD2  ASN 120          1HD2      ASN 120  -8.537  -2.757  10.221
  944   2HD2  ASN 120          2HD2      ASN 120  -7.332  -1.537  10.434
  945    H    ARG 121           H        ARG 121  -9.892  -0.349   5.779
  946    HA   ARG 121           HA       ARG 121 -10.322   2.503   6.206
  947   1HB   ARG 121          2HB       ARG 121  -7.612   1.678   5.254
  948   2HB   ARG 121          1HB       ARG 121  -8.099   3.144   6.092
  949   1HG   ARG 121          2HG       ARG 121  -8.276   1.862   8.178
  950   2HG   ARG 121          1HG       ARG 121  -7.751   0.419   7.318
  951   1HD   ARG 121          2HD       ARG 121  -6.158   2.966   7.580
  952   2HD   ARG 121          1HD       ARG 121  -5.916   1.513   8.550
  953    HE   ARG 121           HE       ARG 121  -5.763   0.787   5.859
  954   1HH1  ARG 121          1HH1      ARG 121  -4.003   2.735   8.153
  955   2HH1  ARG 121          2HH1      ARG 121  -2.471   2.479   7.387
  956   1HH2  ARG 121          1HH2      ARG 121  -3.751   0.441   4.851
  957   2HH2  ARG 121          2HH2      ARG 121  -2.326   1.175   5.512
  958    H    GLY 122           H        GLY 122 -10.811   3.505   4.266
  959   1HA   GLY 122          2HA       GLY 122 -10.868   1.845   1.887
  960   2HA   GLY 122          1HA       GLY 122 -11.448   3.506   1.999
  961    H    PHE 123           H        PHE 123  -8.460   3.241   3.423
  962    HA   PHE 123           HA       PHE 123  -7.154   4.806   1.444
  963   1HB   PHE 123          2HB       PHE 123  -5.982   3.313   3.808
  964   2HB   PHE 123          1HB       PHE 123  -5.161   4.553   2.870
  965    HD1  PHE 123           1HD      PHE 123  -4.871   6.449   4.159
  966    HD2  PHE 123           2HD      PHE 123  -8.557   4.334   4.379
  967    HE1  PHE 123           1HE      PHE 123  -5.762   8.171   5.674
  968    HE2  PHE 123           2HE      PHE 123  -9.452   6.050   5.894
  969    HZ   PHE 123           HZ       PHE 123  -7.986   7.984   6.569
  970    H    MET 124           H        MET 124  -6.864   1.456   2.533
  971    HA   MET 124           HA       MET 124  -5.031   0.834   0.362
  972   1HB   MET 124          2HB       MET 124  -4.613  -0.137   2.586
  973   2HB   MET 124          1HB       MET 124  -6.178  -0.946   2.542
  974   1HG   MET 124          2HG       MET 124  -4.110  -1.448   0.432
  975   2HG   MET 124          1HG       MET 124  -4.079  -2.298   1.975
  976   1HE   MET 124          1HE       MET 124  -4.607  -4.934   0.810
  977   2HE   MET 124          2HE       MET 124  -3.965  -3.819  -0.394
  978   3HE   MET 124          3HE       MET 124  -5.379  -4.803  -0.771
  979    H    LEU 125           H        LEU 125  -8.346   0.307   1.288
  980    HA   LEU 125           HA       LEU 125  -8.903  -1.683  -0.687
  981   1HB   LEU 125          2HB       LEU 125 -10.811   0.014   0.906
  982   2HB   LEU 125          1HB       LEU 125 -11.177  -1.492   0.088
  983    HG   LEU 125           HG       LEU 125  -9.266  -1.219   2.406
  984   1HD1  LEU 125          1HD1      LEU 125 -11.962  -2.524   2.465
  985   2HD1  LEU 125          2HD1      LEU 125 -11.744  -0.817   2.847
  986   3HD1  LEU 125          3HD1      LEU 125 -10.933  -2.047   3.815
  987   1HD2  LEU 125          1HD2      LEU 125  -9.444  -3.692   2.460
  988   2HD2  LEU 125          2HD2      LEU 125  -8.657  -3.075   1.008
  989   3HD2  LEU 125          3HD2      LEU 125 -10.332  -3.625   0.937
  990    H    TRP 126           H        TRP 126 -10.183   1.666  -0.371
  991    HA   TRP 126           HA       TRP 126 -11.613   1.814  -2.692
  992   1HB   TRP 126          2HB       TRP 126 -11.711   3.607  -1.145
  993   2HB   TRP 126          1HB       TRP 126  -9.999   3.950  -1.317
  994    HD1  TRP 126           HD       TRP 126 -10.381   6.443  -1.961
  995    HE1  TRP 126           1HE      TRP 126 -11.236   7.617  -4.082
  996    HE3  TRP 126           3HE      TRP 126 -12.417   2.413  -4.381
  997    HZ2  TRP 126           2HZ      TRP 126 -12.578   6.939  -6.459
  998    HZ3  TRP 126           3HZ      TRP 126 -13.465   2.771  -6.576
  999    HH2  TRP 126           HH       TRP 126 -13.543   4.988  -7.592
 1000    HA   PRO 127           HA       PRO 127  -7.749   3.343  -5.265
 1001   1HB   PRO 127          2HB       PRO 127  -5.497   2.396  -3.588
 1002   2HB   PRO 127          1HB       PRO 127  -5.675   3.904  -4.492
 1003   1HG   PRO 127          2HG       PRO 127  -5.868   3.907  -1.845
 1004   2HG   PRO 127          1HG       PRO 127  -6.962   4.901  -2.830
 1005   1HD   PRO 127          2HD       PRO 127  -7.482   2.244  -1.526
 1006   2HD   PRO 127          1HD       PRO 127  -8.513   3.694  -1.563
 1007    H    LEU 128           H        LEU 128  -7.101   0.426  -3.304
 1008    HA   LEU 128           HA       LEU 128  -5.809  -1.068  -5.288
 1009   1HB   LEU 128          2HB       LEU 128  -6.417  -1.484  -2.686
 1010   2HB   LEU 128          1HB       LEU 128  -7.569  -2.547  -3.451
 1011    HG   LEU 128           HG       LEU 128  -5.358  -3.287  -4.761
 1012   1HD1  LEU 128          1HD1      LEU 128  -4.514  -1.993  -2.232
 1013   2HD1  LEU 128          2HD1      LEU 128  -3.648  -2.176  -3.758
 1014   3HD1  LEU 128          3HD1      LEU 128  -3.759  -3.534  -2.638
 1015   1HD2  LEU 128          1HD2      LEU 128  -5.314  -5.202  -3.267
 1016   2HD2  LEU 128          2HD2      LEU 128  -6.976  -4.726  -3.609
 1017   3HD2  LEU 128          3HD2      LEU 128  -6.241  -4.305  -2.064
 1018    H    PHE 129           H        PHE 129  -9.173  -0.445  -4.700
 1019    HA   PHE 129           HA       PHE 129 -10.420  -2.499  -6.106
 1020   1HB   PHE 129          2HB       PHE 129 -11.659  -0.879  -4.762
 1021   2HB   PHE 129          1HB       PHE 129 -11.197   0.429  -5.839
 1022    HD1  PHE 129           1HD      PHE 129 -12.843   1.170  -7.252
 1023    HD2  PHE 129           2HD      PHE 129 -12.808  -2.929  -6.114
 1024    HE1  PHE 129           1HE      PHE 129 -14.886   0.791  -8.568
 1025    HE2  PHE 129           2HE      PHE 129 -14.850  -3.316  -7.429
 1026    HZ   PHE 129           HZ       PHE 129 -15.889  -1.427  -8.672
 1027    H    GLU 130           H        GLU 130  -8.396  -0.000  -7.263
 1028    HA   GLU 130           HA       GLU 130  -9.401  -0.249 -10.003
 1029   1HB   GLU 130          2HB       GLU 130  -7.537   1.789  -8.781
 1030   2HB   GLU 130          1HB       GLU 130  -8.019   1.757 -10.470
 1031   1HG   GLU 130          2HG       GLU 130  -9.870   2.121  -8.126
 1032   2HG   GLU 130          1HG       GLU 130  -9.285   3.401  -9.189
 1033    H    ILE 131           H        ILE 131  -6.550  -0.779  -8.005
 1034    HA   ILE 131           HA       ILE 131  -4.784  -1.245 -10.195
 1035    HB   ILE 131           HB       ILE 131  -3.157  -1.838  -8.637
 1036   1HG1  ILE 131          2HG1      ILE 131  -5.266  -2.471  -6.550
 1037   2HG1  ILE 131          1HG1      ILE 131  -4.511  -3.696  -7.562
 1038   1HG2  ILE 131          1HG2      ILE 131  -3.584  -0.294  -6.652
 1039   2HG2  ILE 131          2HG2      ILE 131  -5.148   0.032  -7.398
 1040   3HG2  ILE 131          3HG2      ILE 131  -3.661   0.416  -8.265
 1041   1HD1  ILE 131          1HD1      ILE 131  -2.313  -2.624  -6.602
 1042   2HD1  ILE 131          2HD1      ILE 131  -3.213  -3.852  -5.718
 1043   3HD1  ILE 131          3HD1      ILE 131  -3.402  -2.147  -5.301
 1044    H    ALA 132           H        ALA 132  -7.011  -3.133  -8.396
 1045    HA   ALA 132           HA       ALA 132  -7.574  -5.074 -10.160
 1046   1HB   ALA 132          1HB       ALA 132  -6.041  -6.930  -8.808
 1047   2HB   ALA 132          2HB       ALA 132  -4.935  -5.578  -9.044
 1048   3HB   ALA 132          3HB       ALA 132  -5.735  -6.316 -10.431
 1049    HA   PRO 133           HA       PRO 133  -9.778  -5.537  -6.202
 1050   1HB   PRO 133          2HB       PRO 133 -12.210  -4.938  -7.012
 1051   2HB   PRO 133          1HB       PRO 133 -10.976  -3.667  -6.909
 1052   1HG   PRO 133          2HG       PRO 133 -11.961  -5.159  -9.321
 1053   2HG   PRO 133          1HG       PRO 133 -11.651  -3.421  -9.134
 1054   1HD   PRO 133          2HD       PRO 133  -9.874  -5.252 -10.242
 1055   2HD   PRO 133          1HD       PRO 133  -9.428  -3.664  -9.586
 1056    H    GLU 134           H        GLU 134  -9.333  -7.489  -8.694
 1057    HA   GLU 134           HA       GLU 134 -11.636  -9.232  -8.284
 1058   1HB   GLU 134          2HB       GLU 134 -10.690 -10.578 -10.107
 1059   2HB   GLU 134          1HB       GLU 134 -10.873  -8.896 -10.584
 1060   1HG   GLU 134          2HG       GLU 134  -8.498  -8.523 -10.224
 1061   2HG   GLU 134          1HG       GLU 134  -8.304 -10.196  -9.704
 1062    H    LEU 135           H        LEU 135  -9.410  -8.629  -6.335
 1063    HA   LEU 135           HA       LEU 135  -8.035 -11.146  -6.012
 1064   1HB   LEU 135          2HB       LEU 135  -7.284  -8.697  -5.391
 1065   2HB   LEU 135          1HB       LEU 135  -8.137  -9.038  -3.901
 1066    HG   LEU 135           HG       LEU 135  -5.859 -10.699  -4.983
 1067   1HD1  LEU 135          1HD1      LEU 135  -4.454  -9.653  -3.417
 1068   2HD1  LEU 135          2HD1      LEU 135  -5.807  -8.838  -2.635
 1069   3HD1  LEU 135          3HD1      LEU 135  -5.301  -8.353  -4.252
 1070   1HD2  LEU 135          1HD2      LEU 135  -6.508 -12.217  -3.497
 1071   2HD2  LEU 135          2HD2      LEU 135  -7.791 -11.161  -2.902
 1072   3HD2  LEU 135          3HD2      LEU 135  -6.168 -11.046  -2.223
 1073    H    VAL 136           H        VAL 136  -8.386 -12.657  -4.466
 1074    HA   VAL 136           HA       VAL 136 -10.594 -12.284  -2.590
 1075    HB   VAL 136           HB       VAL 136 -11.700 -13.387  -4.407
 1076   1HG1  VAL 136          1HG1      VAL 136 -10.923 -15.287  -5.548
 1077   2HG1  VAL 136          2HG1      VAL 136  -9.708 -15.635  -4.317
 1078   3HG1  VAL 136          3HG1      VAL 136  -9.504 -14.251  -5.390
 1079   1HG2  VAL 136          1HG2      VAL 136 -11.100 -15.658  -2.552
 1080   2HG2  VAL 136          2HG2      VAL 136 -12.633 -15.193  -3.288
 1081   3HG2  VAL 136          3HG2      VAL 136 -11.957 -14.227  -1.977
 1082    H    PHE 137           H        PHE 137 -10.234 -13.261  -0.624
 1083    HA   PHE 137           HA       PHE 137  -7.596 -14.263  -0.117
 1084   1HB   PHE 137          2HB       PHE 137 -10.038 -14.044   1.661
 1085   2HB   PHE 137          1HB       PHE 137  -8.454 -14.551   2.223
 1086    HD1  PHE 137           1HD      PHE 137  -9.573 -11.784  -0.012
 1087    HD2  PHE 137           2HD      PHE 137  -7.559 -12.900   3.568
 1088    HE1  PHE 137           1HE      PHE 137  -8.968  -9.432   0.377
 1089    HE2  PHE 137           2HE      PHE 137  -6.952 -10.551   3.963
 1090    HZ   PHE 137           HZ       PHE 137  -7.673  -8.818   2.421
 1091    HA   PRO 138           HA       PRO 138  -7.983 -18.664  -0.413
 1092   1HB   PRO 138          2HB       PRO 138  -7.563 -18.823   2.542
 1093   2HB   PRO 138          1HB       PRO 138  -6.741 -19.691   1.242
 1094   1HG   PRO 138          2HG       PRO 138  -5.553 -17.658   2.487
 1095   2HG   PRO 138          1HG       PRO 138  -5.358 -17.902   0.743
 1096   1HD   PRO 138          2HD       PRO 138  -6.987 -15.885   2.203
 1097   2HD   PRO 138          1HD       PRO 138  -6.151 -15.750   0.645
 1098    H    ASP 139           H        ASP 139  -9.717 -16.844   1.937
 1099    HA   ASP 139           HA       ASP 139 -11.622 -18.861   2.668
 1100   1HB   ASP 139          2HB       ASP 139 -11.420 -15.888   3.109
 1101   2HB   ASP 139          1HB       ASP 139 -12.827 -16.806   3.625
 1102    H    GLY 140           H        GLY 140 -12.188 -15.682   1.172
 1103   1HA   GLY 140          2HA       GLY 140 -13.345 -16.456  -1.203
 1104   2HA   GLY 140          1HA       GLY 140 -14.640 -16.535  -0.017
 1105    H    GLU 141           H        GLU 141 -13.044 -14.235   1.368
 1106    HA   GLU 141           HA       GLU 141 -14.675 -12.139   0.435
 1107   1HB   GLU 141          2HB       GLU 141 -12.251 -12.224   2.203
 1108   2HB   GLU 141          1HB       GLU 141 -13.008 -10.699   1.771
 1109   1HG   GLU 141          2HG       GLU 141 -13.837 -11.372   3.897
 1110   2HG   GLU 141          1HG       GLU 141 -15.132 -11.534   2.715
 1111    H    MET 142           H        MET 142 -13.931 -10.075  -0.421
 1112    HA   MET 142           HA       MET 142 -11.515 -10.146  -2.061
 1113   1HB   MET 142          2HB       MET 142 -14.275  -9.615  -3.175
 1114   2HB   MET 142          1HB       MET 142 -12.767  -9.448  -4.069
 1115   1HG   MET 142          2HG       MET 142 -12.359 -11.849  -3.797
 1116   2HG   MET 142          1HG       MET 142 -13.888 -12.002  -2.939
 1117   1HE   MET 142          1HE       MET 142 -16.551 -11.347  -5.606
 1118   2HE   MET 142          2HE       MET 142 -15.787  -9.934  -4.879
 1119   3HE   MET 142          3HE       MET 142 -16.129 -11.356  -3.894
 1120    H    LEU 143           H        LEU 143 -11.156  -7.899  -3.124
 1121    HA   LEU 143           HA       LEU 143 -11.324  -5.920  -1.157
 1122   1HB   LEU 143          2HB       LEU 143  -9.672  -5.845  -2.937
 1123   2HB   LEU 143          1HB       LEU 143 -10.930  -5.729  -4.150
 1124    HG   LEU 143           HG       LEU 143  -9.644  -3.604  -3.562
 1125   1HD1  LEU 143          1HD1      LEU 143 -11.527  -2.223  -3.969
 1126   2HD1  LEU 143          2HD1      LEU 143 -12.631  -3.426  -3.303
 1127   3HD1  LEU 143          3HD1      LEU 143 -11.801  -3.740  -4.827
 1128   1HD2  LEU 143          1HD2      LEU 143 -11.355  -3.888  -1.111
 1129   2HD2  LEU 143          2HD2      LEU 143 -10.647  -2.361  -1.632
 1130   3HD2  LEU 143          3HD2      LEU 143  -9.603  -3.713  -1.196
 1131    H    ARG 144           H        ARG 144 -13.516  -7.094  -3.508
 1132    HA   ARG 144           HA       ARG 144 -15.246  -4.797  -3.540
 1133   1HB   ARG 144          2HB       ARG 144 -15.235  -6.206  -5.482
 1134   2HB   ARG 144          1HB       ARG 144 -15.598  -7.633  -4.518
 1135   1HG   ARG 144          2HG       ARG 144 -17.518  -6.728  -5.831
 1136   2HG   ARG 144          1HG       ARG 144 -17.816  -6.887  -4.100
 1137   1HD   ARG 144          2HD       ARG 144 -17.473  -4.527  -3.773
 1138   2HD   ARG 144          1HD       ARG 144 -16.989  -4.321  -5.453
 1139    HE   ARG 144           HE       ARG 144 -19.198  -4.093  -5.949
 1140   1HH1  ARG 144          1HH1      ARG 144 -18.939  -6.040  -3.065
 1141   2HH1  ARG 144          2HH1      ARG 144 -20.653  -6.213  -2.877
 1142   1HH2  ARG 144          1HH2      ARG 144 -21.453  -4.321  -5.703
 1143   2HH2  ARG 144          2HH2      ARG 144 -22.079  -5.238  -4.375
 1144    H    GLN 145           H        GLN 145 -15.428  -8.058  -2.113
 1145    HA   GLN 145           HA       GLN 145 -17.863  -7.696  -0.776
 1146   1HB   GLN 145          2HB       GLN 145 -16.938  -9.904  -1.058
 1147   2HB   GLN 145          1HB       GLN 145 -15.501  -9.473  -0.144
 1148   1HG   GLN 145          2HG       GLN 145 -18.173  -9.313   1.165
 1149   2HG   GLN 145          1HG       GLN 145 -17.405 -10.882   0.944
 1150   1HE2  GLN 145          1HE2      GLN 145 -14.988  -8.656   1.231
 1151   2HE2  GLN 145          2HE2      GLN 145 -14.675  -8.792   2.919
 1152    H    ILE 146           H        ILE 146 -14.554  -6.968   0.162
 1153    HA   ILE 146           HA       ILE 146 -15.084  -6.273   2.848
 1154    HB   ILE 146           HB       ILE 146 -12.841  -5.344   1.050
 1155   1HG1  ILE 146          2HG1      ILE 146 -12.945  -7.595   3.075
 1156   2HG1  ILE 146          1HG1      ILE 146 -12.979  -7.800   1.325
 1157   1HG2  ILE 146          1HG2      ILE 146 -11.788  -4.421   2.864
 1158   2HG2  ILE 146          2HG2      ILE 146 -12.621  -5.465   4.016
 1159   3HG2  ILE 146          3HG2      ILE 146 -13.468  -4.101   3.288
 1160   1HD1  ILE 146          1HD1      ILE 146 -10.767  -7.576   1.145
 1161   2HD1  ILE 146          2HD1      ILE 146 -10.752  -7.899   2.880
 1162   3HD1  ILE 146          3HD1      ILE 146 -10.708  -6.236   2.290
 1163    H    LEU 147           H        LEU 147 -14.459  -4.179   0.010
 1164    HA   LEU 147           HA       LEU 147 -15.133  -1.794   1.340
 1165   1HB   LEU 147          2HB       LEU 147 -14.829  -2.584  -1.518
 1166   2HB   LEU 147          1HB       LEU 147 -15.506  -1.013  -1.126
 1167    HG   LEU 147           HG       LEU 147 -12.828  -1.995  -0.144
 1168   1HD1  LEU 147          1HD1      LEU 147 -13.553  -1.078  -2.721
 1169   2HD1  LEU 147          2HD1      LEU 147 -11.941  -1.407  -2.087
 1170   3HD1  LEU 147          3HD1      LEU 147 -12.635   0.206  -1.934
 1171   1HD2  LEU 147          1HD2      LEU 147 -13.085   0.822  -0.153
 1172   2HD2  LEU 147          2HD2      LEU 147 -12.911  -0.258   1.230
 1173   3HD2  LEU 147          3HD2      LEU 147 -14.517   0.161   0.634
 1174    H    HIS 148           H        HIS 148 -17.119  -4.250  -0.018
 1175    HA   HIS 148           HA       HIS 148 -19.427  -2.757  -0.620
 1176   1HB   HIS 148          2HB       HIS 148 -19.141  -5.128  -1.261
 1177   2HB   HIS 148          1HB       HIS 148 -19.229  -5.593   0.433
 1178    HD1  HIS 148           1HD      HIS 148 -21.456  -3.549  -1.893
 1179    HD2  HIS 148           2HD      HIS 148 -21.691  -6.527   0.996
 1180    HE1  HIS 148           1HE      HIS 148 -23.900  -4.114  -1.706
 1181    HE2  HIS 148           2HE      HIS 148 -24.004  -5.992  -0.031
 1182    H    THR 149           H        THR 149 -17.885  -3.558   2.295
 1183    HA   THR 149           HA       THR 149 -20.212  -2.713   3.884
 1184    HB   THR 149           HB       THR 149 -17.854  -4.469   4.610
 1185    HG1  THR 149           1HG      THR 149 -19.801  -5.862   5.084
 1186   1HG2  THR 149          1HG2      THR 149 -18.492  -3.109   6.551
 1187   2HG2  THR 149          2HG2      THR 149 -18.873  -4.818   6.772
 1188   3HG2  THR 149          3HG2      THR 149 -20.154  -3.671   6.382
 1189    H    ARG 150           H        ARG 150 -17.223  -1.722   2.735
 1190    HA   ARG 150           HA       ARG 150 -16.558  -0.065   5.044
 1191   1HB   ARG 150          2HB       ARG 150 -15.165  -0.228   2.371
 1192   2HB   ARG 150          1HB       ARG 150 -14.552   0.533   3.830
 1193   1HG   ARG 150          2HG       ARG 150 -15.020  -2.398   3.398
 1194   2HG   ARG 150          1HG       ARG 150 -13.468  -1.573   3.475
 1195   1HD   ARG 150          2HD       ARG 150 -15.463  -1.985   5.690
 1196   2HD   ARG 150          1HD       ARG 150 -13.812  -2.598   5.589
 1197    HE   ARG 150           HE       ARG 150 -13.632   0.159   5.495
 1198   1HH1  ARG 150          1HH1      ARG 150 -14.789  -2.259   7.721
 1199   2HH1  ARG 150          2HH1      ARG 150 -14.447  -1.312   9.129
 1200   1HH2  ARG 150          1HH2      ARG 150 -13.180   1.415   7.343
 1201   2HH2  ARG 150          2HH2      ARG 150 -13.532   0.777   8.915
 1202    H    ALA 151           H        ALA 151 -16.727   0.534   1.570
 1203    HA   ALA 151           HA       ALA 151 -18.113   2.110   0.475
 1204   1HB   ALA 151          1HB       ALA 151 -17.839   4.066   2.718
 1205   2HB   ALA 151          2HB       ALA 151 -19.050   2.788   2.815
 1206   3HB   ALA 151          3HB       ALA 151 -19.090   3.941   1.480
 1207    H    PHE 152           H        PHE 152 -16.123   1.904  -0.669
 1208    HA   PHE 152           HA       PHE 152 -13.842   3.484  -0.150
 1209   1HB   PHE 152          2HB       PHE 152 -13.225   2.867  -2.507
 1210   2HB   PHE 152          1HB       PHE 152 -13.627   1.497  -1.473
 1211    HD1  PHE 152           1HD      PHE 152 -15.176   3.817  -3.937
 1212    HD2  PHE 152           2HD      PHE 152 -15.159  -0.041  -2.174
 1213    HE1  PHE 152           1HE      PHE 152 -16.895   3.087  -5.546
 1214    HE2  PHE 152           2HE      PHE 152 -16.874  -0.792  -3.779
 1215    HZ   PHE 152           HZ       PHE 152 -17.745   0.776  -5.468
 1216    H    ASP 153           H        ASP 153 -16.427   4.851  -0.387
 1217    HA   ASP 153           HA       ASP 153 -16.232   6.595  -2.666
 1218   1HB   ASP 153          2HB       ASP 153 -18.421   6.012  -1.624
 1219   2HB   ASP 153          1HB       ASP 153 -17.935   6.884  -0.174
 1220    H    LYS 154           H        LYS 154 -14.886   6.367   0.412
 1221    HA   LYS 154           HA       LYS 154 -14.427   9.104   1.003
 1222   1HB   LYS 154          2HB       LYS 154 -12.912   6.647   1.909
 1223   2HB   LYS 154          1HB       LYS 154 -12.846   8.235   2.663
 1224   1HG   LYS 154          2HG       LYS 154 -15.222   8.051   3.239
 1225   2HG   LYS 154          1HG       LYS 154 -15.268   6.451   2.501
 1226   1HD   LYS 154          2HD       LYS 154 -13.537   7.257   4.839
 1227   2HD   LYS 154          1HD       LYS 154 -15.033   6.331   4.945
 1228   1HE   LYS 154          2HE       LYS 154 -14.033   4.545   3.613
 1229   2HE   LYS 154          1HE       LYS 154 -12.545   5.477   3.465
 1230   1HZ   LYS 154          1HZ       LYS 154 -13.679   4.607   6.063
 1231   2HZ   LYS 154          2HZ       LYS 154 -12.151   5.276   5.782
 1232   3HZ   LYS 154          3HZ       LYS 154 -12.511   3.726   5.211
 1233    H    LEU 155           H        LEU 155 -11.707   9.087   1.626
 1234    HA   LEU 155           HA       LEU 155  -9.783   9.904   0.740
 1235   1HB   LEU 155          2HB       LEU 155  -9.996   7.526  -1.094
 1236   2HB   LEU 155          1HB       LEU 155  -8.536   8.314  -0.530
 1237    HG   LEU 155           HG       LEU 155  -8.610   6.351   0.720
 1238   1HD1  LEU 155          1HD1      LEU 155  -8.764   8.701   2.041
 1239   2HD1  LEU 155          2HD1      LEU 155  -8.474   7.142   2.812
 1240   3HD1  LEU 155          3HD1      LEU 155 -10.102   7.817   2.777
 1241   1HD2  LEU 155          1HD2      LEU 155 -10.503   5.188   0.578
 1242   2HD2  LEU 155          2HD2      LEU 155 -11.490   6.641   0.423
 1243   3HD2  LEU 155          3HD2      LEU 155 -11.003   6.073   2.019
 1244    H    ASN 156           H        ASN 156 -11.337  11.619  -0.216
 1245    HA   ASN 156           HA       ASN 156 -11.886  11.632  -2.985
 1246   1HB   ASN 156          2HB       ASN 156 -12.186  14.079  -2.692
 1247   2HB   ASN 156          1HB       ASN 156 -13.035  13.149  -1.461
 1248   1HD2  ASN 156          1HD2      ASN 156 -11.235  15.807  -1.924
 1249   2HD2  ASN 156          2HD2      ASN 156 -10.532  15.981  -0.357
 1250    H    LYS 157           H        LYS 157 -10.609  12.019  -4.699
 1251    HA   LYS 157           HA       LYS 157  -7.910  11.893  -4.713
 1252   1HB   LYS 157          2HB       LYS 157  -9.742  13.333  -6.609
 1253   2HB   LYS 157          1HB       LYS 157  -8.011  13.230  -6.895
 1254   1HG   LYS 157          2HG       LYS 157  -8.159  10.787  -6.886
 1255   2HG   LYS 157          1HG       LYS 157  -9.899  10.900  -6.623
 1256   1HD   LYS 157          2HD       LYS 157  -8.402  11.983  -9.010
 1257   2HD   LYS 157          1HD       LYS 157  -9.357  10.502  -8.983
 1258   1HE   LYS 157          2HE       LYS 157 -10.404  13.287  -8.492
 1259   2HE   LYS 157          1HE       LYS 157 -10.602  12.359  -9.978
 1260   1HZ   LYS 157          1HZ       LYS 157 -12.407  12.401  -8.043
 1261   2HZ   LYS 157          2HZ       LYS 157 -11.493  11.076  -7.524
 1262   3HZ   LYS 157          3HZ       LYS 157 -12.190  11.067  -9.063
 1263    H    TRP 158           H        TRP 158  -6.195  13.323  -5.015
 1264    HA   TRP 158           HA       TRP 158  -5.776  15.274  -3.179
 1265   1HB   TRP 158          2HB       TRP 158  -3.965  14.339  -4.449
 1266   2HB   TRP 158          1HB       TRP 158  -4.617  14.964  -5.951
 1267    HD1  TRP 158           HD       TRP 158  -4.556  17.779  -6.138
 1268    HE1  TRP 158           1HE      TRP 158  -2.681  19.362  -5.367
 1269    HE3  TRP 158           3HE      TRP 158  -2.180  14.679  -2.838
 1270    HZ2  TRP 158           2HZ      TRP 158  -0.478  19.303  -3.604
 1271    HZ3  TRP 158           3HZ      TRP 158  -0.190  15.518  -1.659
 1272    HH2  TRP 158           HH       TRP 158   0.642  17.781  -2.036
  Start of MODEL   19
    1   1H    THR   1          1HT       THR   1   2.037 -13.044 -10.516
    2   2H    THR   1          2HT       THR   1   1.801 -14.601  -9.899
    3   3H    THR   1          3HT       THR   1   2.772 -13.498  -9.061
    4    HA   THR   1           HA       THR   1  -0.160 -13.415  -9.434
    5    HB   THR   1           HB       THR   1   1.567 -13.418  -6.949
    6    HG1  THR   1           1HG      THR   1   1.723 -15.404  -7.990
    7   1HG2  THR   1          1HG2      THR   1  -0.433 -12.572  -6.202
    8   2HG2  THR   1          2HG2      THR   1  -0.677 -14.307  -5.997
    9   3HG2  THR   1          3HG2      THR   1  -1.379 -13.476  -7.386
   10    H    VAL   2           H        VAL   2  -1.132 -11.601  -8.062
   11    HA   VAL   2           HA       VAL   2   0.164  -9.119  -8.852
   12    HB   VAL   2           HB       VAL   2  -2.578  -9.664  -7.714
   13   1HG1  VAL   2          1HG1      VAL   2  -1.615  -7.448  -7.044
   14   2HG1  VAL   2          2HG1      VAL   2  -3.096  -7.358  -7.997
   15   3HG1  VAL   2          3HG1      VAL   2  -1.537  -7.039  -8.758
   16   1HG2  VAL   2          1HG2      VAL   2  -2.534  -8.401 -10.275
   17   2HG2  VAL   2          2HG2      VAL   2  -3.232  -9.953  -9.813
   18   3HG2  VAL   2          3HG2      VAL   2  -1.546  -9.860 -10.322
   19    H    ALA   3           H        ALA   3   0.749  -7.477  -7.491
   20    HA   ALA   3           HA       ALA   3   0.887  -8.157  -4.629
   21   1HB   ALA   3          1HB       ALA   3   2.930  -7.403  -6.415
   22   2HB   ALA   3          2HB       ALA   3   3.046  -7.631  -4.670
   23   3HB   ALA   3          3HB       ALA   3   2.680  -6.037  -5.328
   24    H    TYR   4           H        TYR   4  -0.898  -7.223  -3.815
   25    HA   TYR   4           HA       TYR   4  -1.774  -4.579  -4.610
   26   1HB   TYR   4          2HB       TYR   4  -2.810  -6.331  -2.384
   27   2HB   TYR   4          1HB       TYR   4  -3.645  -4.998  -3.173
   28    HD1  TYR   4           1HD      TYR   4  -2.281  -8.397  -3.768
   29    HD2  TYR   4           2HD      TYR   4  -4.959  -5.376  -5.097
   30    HE1  TYR   4           1HE      TYR   4  -3.263  -9.969  -5.380
   31    HE2  TYR   4           2HE      TYR   4  -5.943  -6.941  -6.713
   32    HH   TYR   4           HH       TYR   4  -5.836 -10.006  -6.585
   33    H    ILE   5           H        ILE   5  -0.116  -3.181  -3.937
   34    HA   ILE   5           HA       ILE   5   0.564  -3.174  -1.078
   35    HB   ILE   5           HB       ILE   5   1.936  -1.623  -3.267
   36   1HG1  ILE   5          2HG1      ILE   5   2.729  -4.333  -2.185
   37   2HG1  ILE   5          1HG1      ILE   5   1.918  -4.089  -3.729
   38   1HG2  ILE   5          1HG2      ILE   5   3.852  -2.000  -1.523
   39   2HG2  ILE   5          2HG2      ILE   5   2.510  -2.240  -0.406
   40   3HG2  ILE   5          3HG2      ILE   5   2.665  -0.717  -1.280
   41   1HD1  ILE   5          1HD1      ILE   5   4.691  -3.320  -2.923
   42   2HD1  ILE   5          2HD1      ILE   5   3.889  -2.556  -4.294
   43   3HD1  ILE   5          3HD1      ILE   5   4.159  -4.299  -4.288
   44    H    ALA   6           H        ALA   6   0.862  -1.084  -0.015
   45    HA   ALA   6           HA       ALA   6  -0.918   1.032  -1.043
   46   1HB   ALA   6          1HB       ALA   6  -0.679   0.128   1.829
   47   2HB   ALA   6          2HB       ALA   6  -2.050  -0.174   0.760
   48   3HB   ALA   6          3HB       ALA   6  -1.658   1.475   1.247
   49    H    ILE   7           H        ILE   7   0.412   2.662  -1.580
   50    HA   ILE   7           HA       ILE   7   2.893   3.092  -0.123
   51    HB   ILE   7           HB       ILE   7   1.815   4.686  -2.451
   52   1HG1  ILE   7          2HG1      ILE   7   3.719   2.331  -2.520
   53   2HG1  ILE   7          1HG1      ILE   7   2.009   2.221  -2.919
   54   1HG2  ILE   7          1HG2      ILE   7   4.708   4.303  -1.919
   55   2HG2  ILE   7          2HG2      ILE   7   3.820   5.379  -0.842
   56   3HG2  ILE   7          3HG2      ILE   7   3.852   5.697  -2.575
   57   1HD1  ILE   7          1HD1      ILE   7   4.104   2.775  -4.647
   58   2HD1  ILE   7          2HD1      ILE   7   3.288   4.321  -4.417
   59   3HD1  ILE   7          3HD1      ILE   7   2.379   2.919  -4.983
   60    H    GLY   8           H        GLY   8   3.518   5.115   0.815
   61   1HA   GLY   8          2HA       GLY   8   1.256   6.908   1.427
   62   2HA   GLY   8          1HA       GLY   8   2.334   6.346   2.697
   63    H    SER   9           H        SER   9   1.788   9.080   1.763
   64    HA   SER   9           HA       SER   9   4.549   9.920   1.487
   65   1HB   SER   9          2HB       SER   9   4.048  11.356  -0.476
   66   2HB   SER   9          1HB       SER   9   3.908   9.635  -0.833
   67    HG   SER   9           HG       SER   9   1.965  10.083  -1.463
   68    H    ASN  10           H        ASN  10   4.902  11.677   2.706
   69    HA   ASN  10           HA       ASN  10   2.813  13.650   3.077
   70   1HB   ASN  10          2HB       ASN  10   3.824  11.915   5.321
   71   2HB   ASN  10          1HB       ASN  10   3.021  13.457   5.595
   72   1HD2  ASN  10          1HD2      ASN  10   2.534  10.249   5.524
   73   2HD2  ASN  10          2HD2      ASN  10   0.849  10.201   5.128
   74    H    LEU  11           H        LEU  11   5.646  12.821   5.057
   75    HA   LEU  11           HA       LEU  11   6.521  15.555   5.044
   76   1HB   LEU  11          2HB       LEU  11   7.865  13.094   6.156
   77   2HB   LEU  11          1HB       LEU  11   8.358  14.749   6.463
   78    HG   LEU  11           HG       LEU  11   5.738  13.510   7.306
   79   1HD1  LEU  11          1HD1      LEU  11   8.348  13.946   8.658
   80   2HD1  LEU  11          2HD1      LEU  11   7.202  12.614   8.810
   81   3HD1  LEU  11          3HD1      LEU  11   6.868  14.156   9.595
   82   1HD2  LEU  11          1HD2      LEU  11   6.231  15.890   8.695
   83   2HD2  LEU  11          2HD2      LEU  11   4.982  15.590   7.486
   84   3HD2  LEU  11          3HD2      LEU  11   6.543  16.250   6.997
   85    H    ALA  12           H        ALA  12   6.537  14.902   2.466
   86    HA   ALA  12           HA       ALA  12   9.078  15.571   1.570
   87   1HB   ALA  12          1HB       ALA  12  10.167  13.666   0.988
   88   2HB   ALA  12          2HB       ALA  12   8.676  12.775   0.686
   89   3HB   ALA  12          3HB       ALA  12   9.242  13.008   2.339
   90    H    SER  13           H        SER  13   6.487  16.379   1.079
   91    HA   SER  13           HA       SER  13   5.055  16.943  -0.593
   92   1HB   SER  13          2HB       SER  13   7.138  17.602  -1.756
   93   2HB   SER  13          1HB       SER  13   7.279  15.967  -2.402
   94    HG   SER  13           HG       SER  13   5.311  17.916  -2.966
   95    HA   PRO  14           HA       PRO  14   3.253  12.719  -0.473
   96   1HB   PRO  14          2HB       PRO  14   1.105  14.526  -1.519
   97   2HB   PRO  14          1HB       PRO  14   0.984  13.170  -0.392
   98   1HG   PRO  14          2HG       PRO  14   1.008  15.684   0.496
   99   2HG   PRO  14          1HG       PRO  14   1.841  14.393   1.384
  100   1HD   PRO  14          2HD       PRO  14   2.966  16.609  -0.234
  101   2HD   PRO  14          1HD       PRO  14   3.698  15.702   1.104
  102    H    LEU  15           H        LEU  15   3.420  15.032  -3.119
  103    HA   LEU  15           HA       LEU  15   2.523  13.133  -5.097
  104   1HB   LEU  15          2HB       LEU  15   2.056  15.526  -5.330
  105   2HB   LEU  15          1HB       LEU  15   3.774  15.859  -5.417
  106    HG   LEU  15           HG       LEU  15   3.901  14.565  -7.521
  107   1HD1  LEU  15          1HD1      LEU  15   1.001  14.164  -6.941
  108   2HD1  LEU  15          2HD1      LEU  15   2.204  13.008  -7.510
  109   3HD1  LEU  15          3HD1      LEU  15   1.563  14.228  -8.611
  110   1HD2  LEU  15          1HD2      LEU  15   1.906  16.303  -8.487
  111   2HD2  LEU  15          2HD2      LEU  15   3.650  16.568  -8.441
  112   3HD2  LEU  15          3HD2      LEU  15   2.641  17.092  -7.091
  113    H    GLU  16           H        GLU  16   5.626  14.454  -4.039
  114    HA   GLU  16           HA       GLU  16   7.185  13.422  -6.141
  115   1HB   GLU  16          2HB       GLU  16   7.827  14.268  -3.336
  116   2HB   GLU  16          1HB       GLU  16   9.071  13.720  -4.458
  117   1HG   GLU  16          2HG       GLU  16   8.310  15.507  -6.021
  118   2HG   GLU  16          1HG       GLU  16   7.275  16.113  -4.731
  119    H    GLN  17           H        GLN  17   6.351  12.089  -2.969
  120    HA   GLN  17           HA       GLN  17   8.092   9.893  -3.050
  121   1HB   GLN  17          2HB       GLN  17   5.452  10.238  -1.628
  122   2HB   GLN  17          1HB       GLN  17   6.580   8.920  -1.329
  123   1HG   GLN  17          2HG       GLN  17   7.281  11.827  -1.014
  124   2HG   GLN  17          1HG       GLN  17   6.699  10.803   0.302
  125   1HE2  GLN  17          1HE2      GLN  17   9.380  12.104  -0.914
  126   2HE2  GLN  17          2HE2      GLN  17  10.551  10.918  -0.461
  127    H    VAL  18           H        VAL  18   4.773  10.243  -4.218
  128    HA   VAL  18           HA       VAL  18   4.285   7.545  -4.787
  129    HB   VAL  18           HB       VAL  18   3.167   9.969  -6.200
  130   1HG1  VAL  18          1HG1      VAL  18   2.305   8.438  -7.590
  131   2HG1  VAL  18          2HG1      VAL  18   1.239   8.027  -6.246
  132   3HG1  VAL  18          3HG1      VAL  18   2.715   7.099  -6.516
  133   1HG2  VAL  18          1HG2      VAL  18   2.609  10.236  -3.951
  134   2HG2  VAL  18          2HG2      VAL  18   2.381   8.505  -3.703
  135   3HG2  VAL  18          3HG2      VAL  18   1.202   9.425  -4.637
  136    H    ASN  19           H        ASN  19   5.897  10.035  -6.709
  137    HA   ASN  19           HA       ASN  19   5.908   8.731  -9.174
  138   1HB   ASN  19          2HB       ASN  19   8.012  10.561  -8.010
  139   2HB   ASN  19          1HB       ASN  19   7.890  10.111  -9.707
  140   1HD2  ASN  19          1HD2      ASN  19   7.324  12.531  -7.689
  141   2HD2  ASN  19          2HD2      ASN  19   5.960  13.277  -8.442
  142    H    ALA  20           H        ALA  20   8.524   8.730  -6.739
  143    HA   ALA  20           HA       ALA  20   9.952   6.664  -8.118
  144   1HB   ALA  20          1HB       ALA  20  11.615   7.553  -6.958
  145   2HB   ALA  20          2HB       ALA  20  10.926   6.867  -5.487
  146   3HB   ALA  20          3HB       ALA  20  10.480   8.497  -5.993
  147    H    ALA  21           H        ALA  21   7.451   6.708  -5.772
  148    HA   ALA  21           HA       ALA  21   7.999   4.266  -4.461
  149   1HB   ALA  21          1HB       ALA  21   5.280   4.480  -4.345
  150   2HB   ALA  21          2HB       ALA  21   5.774   6.152  -4.611
  151   3HB   ALA  21          3HB       ALA  21   6.411   5.251  -3.234
  152    H    LEU  22           H        LEU  22   5.880   5.029  -7.222
  153    HA   LEU  22           HA       LEU  22   5.297   2.231  -7.646
  154   1HB   LEU  22          2HB       LEU  22   3.977   3.061  -9.582
  155   2HB   LEU  22          1HB       LEU  22   3.510   3.755  -8.045
  156    HG   LEU  22           HG       LEU  22   4.950   5.766  -8.689
  157   1HD1  LEU  22          1HD1      LEU  22   6.270   5.103 -10.464
  158   2HD1  LEU  22          2HD1      LEU  22   4.975   5.991 -11.272
  159   3HD1  LEU  22          3HD1      LEU  22   4.956   4.227 -11.251
  160   1HD2  LEU  22          1HD2      LEU  22   2.965   6.085 -10.639
  161   2HD2  LEU  22          2HD2      LEU  22   2.904   6.582  -8.949
  162   3HD2  LEU  22          3HD2      LEU  22   2.285   5.000  -9.426
  163    H    LYS  23           H        LYS  23   7.676   4.440  -8.650
  164    HA   LYS  23           HA       LYS  23   8.272   3.138 -11.159
  165   1HB   LYS  23          2HB       LYS  23   8.624   5.579 -10.769
  166   2HB   LYS  23          1HB       LYS  23   9.895   5.177  -9.624
  167   1HG   LYS  23          2HG       LYS  23   9.985   4.295 -12.494
  168   2HG   LYS  23          1HG       LYS  23  10.605   5.858 -11.960
  169   1HD   LYS  23          2HD       LYS  23  11.519   3.157 -10.962
  170   2HD   LYS  23          1HD       LYS  23  12.387   4.181 -12.106
  171   1HE   LYS  23          2HE       LYS  23  12.601   5.916 -10.406
  172   2HE   LYS  23          1HE       LYS  23  11.698   4.924  -9.264
  173   1HZ   LYS  23          1HZ       LYS  23  14.320   4.220 -10.471
  174   2HZ   LYS  23          2HZ       LYS  23  13.455   3.267  -9.373
  175   3HZ   LYS  23          3HZ       LYS  23  14.077   4.763  -8.887
  176    H    ALA  24           H        ALA  24   9.728   3.329  -7.934
  177    HA   ALA  24           HA       ALA  24  12.022   1.835  -8.393
  178   1HB   ALA  24          1HB       ALA  24  11.799   1.257  -5.907
  179   2HB   ALA  24          2HB       ALA  24  10.355   2.270  -5.941
  180   3HB   ALA  24          3HB       ALA  24  11.925   2.958  -6.354
  181    H    LEU  25           H        LEU  25   8.720   0.784  -7.972
  182    HA   LEU  25           HA       LEU  25   9.160  -1.908  -7.303
  183   1HB   LEU  25          2HB       LEU  25   6.932  -0.789  -9.019
  184   2HB   LEU  25          1HB       LEU  25   6.911  -2.313  -8.153
  185    HG   LEU  25           HG       LEU  25   6.994   0.421  -6.870
  186   1HD1  LEU  25          1HD1      LEU  25   4.694  -1.324  -6.410
  187   2HD1  LEU  25          2HD1      LEU  25   4.851  -0.759  -8.073
  188   3HD1  LEU  25          3HD1      LEU  25   4.759   0.404  -6.751
  189   1HD2  LEU  25          1HD2      LEU  25   7.150  -2.355  -5.802
  190   2HD2  LEU  25          2HD2      LEU  25   6.287  -1.130  -4.874
  191   3HD2  LEU  25          3HD2      LEU  25   7.987  -0.894  -5.277
  192    H    GLY  26           H        GLY  26   9.071  -0.242 -10.418
  193   1HA   GLY  26          2HA       GLY  26   9.184  -2.512 -12.079
  194   2HA   GLY  26          1HA       GLY  26   9.753  -0.903 -12.512
  195    H    ASP  27           H        ASP  27  11.618  -0.823 -10.252
  196    HA   ASP  27           HA       ASP  27  13.830  -2.152 -11.541
  197   1HB   ASP  27          2HB       ASP  27  14.112   0.113 -10.637
  198   2HB   ASP  27          1HB       ASP  27  13.731  -0.476  -9.022
  199    H    ILE  28           H        ILE  28  11.732  -2.668  -8.837
  200    HA   ILE  28           HA       ILE  28  13.263  -4.349  -7.235
  201    HB   ILE  28           HB       ILE  28  10.292  -4.381  -7.777
  202   1HG1  ILE  28          2HG1      ILE  28  11.933  -3.289  -5.475
  203   2HG1  ILE  28          1HG1      ILE  28  11.146  -2.335  -6.727
  204   1HG2  ILE  28          1HG2      ILE  28  11.041  -6.587  -6.986
  205   2HG2  ILE  28          2HG2      ILE  28  10.025  -5.764  -5.802
  206   3HG2  ILE  28          3HG2      ILE  28  11.774  -5.820  -5.579
  207   1HD1  ILE  28          1HD1      ILE  28   9.030  -3.685  -5.798
  208   2HD1  ILE  28          2HD1      ILE  28   9.562  -2.137  -5.144
  209   3HD1  ILE  28          3HD1      ILE  28  10.020  -3.639  -4.339
  210    HA   PRO  29           HA       PRO  29  14.140  -7.876  -9.725
  211   1HB   PRO  29          2HB       PRO  29  14.076  -9.783  -7.711
  212   2HB   PRO  29          1HB       PRO  29  15.470  -8.786  -8.136
  213   1HG   PRO  29          2HG       PRO  29  13.463  -8.412  -5.959
  214   2HG   PRO  29          1HG       PRO  29  15.213  -8.128  -5.935
  215   1HD   PRO  29          2HD       PRO  29  13.474  -6.093  -6.142
  216   2HD   PRO  29          1HD       PRO  29  15.018  -6.088  -7.024
  217    H    GLU  30           H        GLU  30  13.204  -9.631 -10.643
  218    HA   GLU  30           HA       GLU  30  11.390 -10.594 -11.667
  219   1HB   GLU  30          2HB       GLU  30  11.050 -11.529  -8.819
  220   2HB   GLU  30          1HB       GLU  30  10.411 -12.329 -10.247
  221   1HG   GLU  30          2HG       GLU  30  13.332 -11.874  -9.709
  222   2HG   GLU  30          1HG       GLU  30  12.466 -13.368  -9.342
  223    H    SER  31           H        SER  31  10.752  -7.912 -10.815
  224    HA   SER  31           HA       SER  31   7.884  -8.254 -10.236
  225   1HB   SER  31          2HB       SER  31   9.690  -5.947  -9.485
  226   2HB   SER  31          1HB       SER  31   7.942  -5.972  -9.247
  227    HG   SER  31           HG       SER  31   8.464  -6.840  -7.401
  228    H    HIS  32           H        HIS  32   6.403  -7.079 -11.400
  229    HA   HIS  32           HA       HIS  32   7.317  -5.248 -13.468
  230   1HB   HIS  32          2HB       HIS  32   7.448  -7.542 -14.452
  231   2HB   HIS  32          1HB       HIS  32   5.719  -7.710 -14.171
  232    HD1  HIS  32           1HD      HIS  32   7.904  -5.093 -15.881
  233    HD2  HIS  32           2HD      HIS  32   4.361  -7.189 -16.438
  234    HE1  HIS  32           1HE      HIS  32   7.004  -4.313 -18.096
  235    HE2  HIS  32           2HE      HIS  32   4.807  -5.519 -18.363
  236    H    ILE  33           H        ILE  33   6.071  -3.572 -12.802
  237    HA   ILE  33           HA       ILE  33   3.539  -3.786 -11.657
  238    HB   ILE  33           HB       ILE  33   5.313  -1.699 -12.249
  239   1HG1  ILE  33          2HG1      ILE  33   2.612  -1.626 -10.900
  240   2HG1  ILE  33          1HG1      ILE  33   4.108  -2.175 -10.152
  241   1HG2  ILE  33          1HG2      ILE  33   2.568  -0.967 -13.250
  242   2HG2  ILE  33          2HG2      ILE  33   3.929  -1.329 -14.310
  243   3HG2  ILE  33          3HG2      ILE  33   4.010   0.046 -13.211
  244   1HD1  ILE  33          1HD1      ILE  33   4.101  -0.051  -9.378
  245   2HD1  ILE  33          2HD1      ILE  33   3.175   0.564 -10.746
  246   3HD1  ILE  33          3HD1      ILE  33   4.901   0.249 -10.920
  247    H    LEU  34           H        LEU  34   1.506  -3.782 -12.398
  248    HA   LEU  34           HA       LEU  34   1.150  -4.064 -15.300
  249   1HB   LEU  34          2HB       LEU  34   0.528  -6.016 -13.956
  250   2HB   LEU  34          1HB       LEU  34  -0.591  -5.031 -13.032
  251    HG   LEU  34           HG       LEU  34  -1.907  -4.643 -15.100
  252   1HD1  LEU  34          1HD1      LEU  34  -0.964  -6.811 -16.666
  253   2HD1  LEU  34          2HD1      LEU  34   0.399  -5.744 -16.330
  254   3HD1  LEU  34          3HD1      LEU  34  -1.055  -5.102 -17.091
  255   1HD2  LEU  34          1HD2      LEU  34  -1.464  -7.344 -13.931
  256   2HD2  LEU  34          2HD2      LEU  34  -2.522  -7.196 -15.334
  257   3HD2  LEU  34          3HD2      LEU  34  -2.882  -6.298 -13.859
  258    H    THR  35           H        THR  35  -0.745  -2.911 -12.480
  259    HA   THR  35           HA       THR  35  -1.612  -0.633 -14.127
  260    HB   THR  35           HB       THR  35  -3.886  -0.840 -13.185
  261    HG1  THR  35           1HG      THR  35  -3.725  -3.410 -12.417
  262   1HG2  THR  35          1HG2      THR  35  -3.088  -2.082 -15.334
  263   2HG2  THR  35          2HG2      THR  35  -4.680  -2.405 -14.648
  264   3HG2  THR  35          3HG2      THR  35  -3.348  -3.522 -14.350
  265    H    VAL  36           H        VAL  36  -2.122   1.265 -13.000
  266    HA   VAL  36           HA       VAL  36  -1.326   1.308 -10.162
  267    HB   VAL  36           HB       VAL  36  -0.689   3.436 -12.213
  268   1HG1  VAL  36          1HG1      VAL  36   0.610   4.475 -10.424
  269   2HG1  VAL  36          2HG1      VAL  36   0.079   3.219  -9.304
  270   3HG1  VAL  36          3HG1      VAL  36  -1.094   4.347  -9.986
  271   1HG2  VAL  36          1HG2      VAL  36   1.323   2.512 -12.548
  272   2HG2  VAL  36          2HG2      VAL  36   0.603   1.044 -11.886
  273   3HG2  VAL  36          3HG2      VAL  36   1.529   2.120 -10.839
  274    H    SER  37           H        SER  37  -2.481   2.668  -8.810
  275    HA   SER  37           HA       SER  37  -5.105   3.402  -9.734
  276   1HB   SER  37          2HB       SER  37  -4.678   2.403  -7.483
  277   2HB   SER  37          1HB       SER  37  -3.853   3.889  -7.021
  278    HG   SER  37           HG       SER  37  -5.942   4.085  -6.338
  279    H    SER  38           H        SER  38  -5.158   5.725  -7.759
  280    HA   SER  38           HA       SER  38  -3.713   7.708  -9.379
  281   1HB   SER  38          2HB       SER  38  -6.119   7.589 -10.053
  282   2HB   SER  38          1HB       SER  38  -6.563   8.035  -8.406
  283    HG   SER  38           HG       SER  38  -5.182   9.570 -10.334
  284    H    PHE  39           H        PHE  39  -4.817   9.946  -7.904
  285    HA   PHE  39           HA       PHE  39  -3.247   9.644  -5.464
  286   1HB   PHE  39          2HB       PHE  39  -3.615  12.213  -5.402
  287   2HB   PHE  39          1HB       PHE  39  -2.508  11.540  -6.590
  288    HD1  PHE  39           1HD      PHE  39  -2.614  12.555  -8.655
  289    HD2  PHE  39           2HD      PHE  39  -6.178  12.177  -6.362
  290    HE1  PHE  39           1HE      PHE  39  -3.877  13.686 -10.438
  291    HE2  PHE  39           2HE      PHE  39  -7.447  13.306  -8.142
  292    HZ   PHE  39           HZ       PHE  39  -6.246  14.056 -10.222
  293    H    TYR  40           H        TYR  40  -4.068   9.910  -3.426
  294    HA   TYR  40           HA       TYR  40  -6.913  10.573  -3.180
  295   1HB   TYR  40          2HB       TYR  40  -5.632   8.142  -1.918
  296   2HB   TYR  40          1HB       TYR  40  -7.283   8.688  -1.648
  297    HD1  TYR  40           1HD      TYR  40  -4.978   7.430  -4.279
  298    HD2  TYR  40           2HD      TYR  40  -9.015   7.998  -3.062
  299    HE1  TYR  40           1HE      TYR  40  -5.734   6.076  -6.187
  300    HE2  TYR  40           2HE      TYR  40  -9.781   6.640  -4.967
  301    HH   TYR  40           HH       TYR  40  -9.022   5.913  -7.136
  302    H    ARG  41           H        ARG  41  -7.106  12.167  -1.785
  303    HA   ARG  41           HA       ARG  41  -5.069  12.659   0.222
  304   1HB   ARG  41          2HB       ARG  41  -6.174  14.485  -1.142
  305   2HB   ARG  41          1HB       ARG  41  -7.651  14.170  -0.242
  306   1HG   ARG  41          2HG       ARG  41  -6.483  14.752   1.836
  307   2HG   ARG  41          1HG       ARG  41  -5.032  15.096   0.895
  308   1HD   ARG  41          2HD       ARG  41  -6.208  17.154   1.401
  309   2HD   ARG  41          1HD       ARG  41  -6.241  16.836  -0.332
  310    HE   ARG  41           HE       ARG  41  -8.569  15.779   0.811
  311   1HH1  ARG  41          1HH1      ARG  41  -7.072  18.860   0.179
  312   2HH1  ARG  41          2HH1      ARG  41  -8.574  19.712   0.054
  313   1HH2  ARG  41          1HH2      ARG  41 -10.557  16.895   0.649
  314   2HH2  ARG  41          2HH2      ARG  41 -10.554  18.596   0.322
  315    H    THR  42           H        THR  42  -5.171  11.523   2.076
  316    HA   THR  42           HA       THR  42  -7.555  11.479   3.671
  317    HB   THR  42           HB       THR  42  -8.295   9.769   2.166
  318    HG1  THR  42           1HG      THR  42  -7.427   8.063   4.134
  319   1HG2  THR  42          1HG2      THR  42  -5.595   8.545   2.578
  320   2HG2  THR  42          2HG2      THR  42  -6.409   8.955   1.067
  321   3HG2  THR  42          3HG2      THR  42  -6.982   7.599   2.038
  322    HA   PRO  43           HA       PRO  43  -4.598  11.711   6.973
  323   1HB   PRO  43          2HB       PRO  43  -6.591   9.701   7.979
  324   2HB   PRO  43          1HB       PRO  43  -5.801  11.022   8.850
  325   1HG   PRO  43          2HG       PRO  43  -8.291  11.249   7.792
  326   2HG   PRO  43          1HG       PRO  43  -7.182  12.620   7.958
  327   1HD   PRO  43          2HD       PRO  43  -8.145  11.344   5.532
  328   2HD   PRO  43          1HD       PRO  43  -7.162  12.814   5.696
  329    HA   PRO  44           HA       PRO  44  -2.170   8.063   5.963
  330   1HB   PRO  44          2HB       PRO  44   0.072   8.814   7.286
  331   2HB   PRO  44          1HB       PRO  44  -0.354   9.421   5.686
  332   1HG   PRO  44          2HG       PRO  44  -0.671  10.724   8.353
  333   2HG   PRO  44          1HG       PRO  44  -0.192  11.439   6.800
  334   1HD   PRO  44          2HD       PRO  44  -2.696  11.673   7.839
  335   2HD   PRO  44          1HD       PRO  44  -2.337  11.685   6.104
  336    H    LEU  45           H        LEU  45  -3.463   9.065   8.849
  337    HA   LEU  45           HA       LEU  45  -3.825   8.119  10.869
  338   1HB   LEU  45          2HB       LEU  45  -3.032   5.578   9.443
  339   2HB   LEU  45          1HB       LEU  45  -3.881   5.667  10.973
  340    HG   LEU  45           HG       LEU  45  -4.954   6.629   8.320
  341   1HD1  LEU  45          1HD1      LEU  45  -5.811   4.267   9.979
  342   2HD1  LEU  45          2HD1      LEU  45  -4.757   4.160   8.571
  343   3HD1  LEU  45          3HD1      LEU  45  -6.414   4.737   8.390
  344   1HD2  LEU  45          1HD2      LEU  45  -7.000   7.082   9.443
  345   2HD2  LEU  45          2HD2      LEU  45  -5.722   7.888  10.354
  346   3HD2  LEU  45          3HD2      LEU  45  -6.406   6.375  10.945
  347    H    GLY  46           H        GLY  46  -2.343   8.946  12.219
  348   1HA   GLY  46          2HA       GLY  46  -0.666   7.761  13.779
  349   2HA   GLY  46          1HA       GLY  46   0.308   7.674  12.319
  350    HA   PRO  47           HA       PRO  47   1.468  11.692  14.100
  351   1HB   PRO  47          2HB       PRO  47   4.082  11.304  14.217
  352   2HB   PRO  47          1HB       PRO  47   3.004  10.489  15.349
  353   1HG   PRO  47          2HG       PRO  47   4.438   9.402  12.985
  354   2HG   PRO  47          1HG       PRO  47   4.022   8.607  14.511
  355   1HD   PRO  47          2HD       PRO  47   2.608   8.460  12.051
  356   2HD   PRO  47          1HD       PRO  47   2.103   7.807  13.623
  357    H    GLN  48           H        GLN  48   4.320  12.186  13.052
  358    HA   GLN  48           HA       GLN  48   5.337  13.305  11.373
  359   1HB   GLN  48          2HB       GLN  48   5.331  12.308   9.386
  360   2HB   GLN  48          1HB       GLN  48   4.339  11.106  10.184
  361   1HG   GLN  48          2HG       GLN  48   2.465  12.879   9.385
  362   2HG   GLN  48          1HG       GLN  48   3.655  13.050   8.101
  363   1HE2  GLN  48          1HE2      GLN  48   1.262  11.110   9.530
  364   2HE2  GLN  48          2HE2      GLN  48   1.337   9.807   8.422
  365    H    ASP  49           H        ASP  49   2.264  13.823  12.235
  366    HA   ASP  49           HA       ASP  49   1.129  15.825  12.398
  367   1HB   ASP  49          2HB       ASP  49   3.101  17.120  11.710
  368   2HB   ASP  49          1HB       ASP  49   2.764  16.746  10.024
  369    H    GLN  50           H        GLN  50   1.363  13.688   9.822
  370    HA   GLN  50           HA       GLN  50  -0.055  13.013   8.159
  371   1HB   GLN  50          2HB       GLN  50  -2.292  14.244   9.744
  372   2HB   GLN  50          1HB       GLN  50  -2.299  12.769   8.787
  373   1HG   GLN  50          2HG       GLN  50  -0.456  12.806  11.081
  374   2HG   GLN  50          1HG       GLN  50  -2.175  12.812  11.464
  375   1HE2  GLN  50          1HE2      GLN  50   0.470  10.933  10.650
  376   2HE2  GLN  50          2HE2      GLN  50  -0.338   9.444  10.384
  377    HA   PRO  51           HA       PRO  51  -0.722  17.170   6.293
  378   1HB   PRO  51          2HB       PRO  51   1.528  17.466   4.938
  379   2HB   PRO  51          1HB       PRO  51   1.493  17.697   6.691
  380   1HG   PRO  51          2HG       PRO  51   2.624  15.474   5.100
  381   2HG   PRO  51          1HG       PRO  51   3.082  16.044   6.714
  382   1HD   PRO  51          2HD       PRO  51   1.343  13.852   6.005
  383   2HD   PRO  51          1HD       PRO  51   1.840  14.380   7.627
  384    H    ASP  52           H        ASP  52  -2.200  16.879   4.794
  385    HA   ASP  52           HA       ASP  52  -3.171  16.686   2.746
  386   1HB   ASP  52          2HB       ASP  52  -0.558  15.756   1.626
  387   2HB   ASP  52          1HB       ASP  52  -1.919  16.453   0.772
  388    H    TYR  53           H        TYR  53  -1.092  14.102   3.823
  389    HA   TYR  53           HA       TYR  53  -1.181  11.852   3.515
  390   1HB   TYR  53          2HB       TYR  53  -3.916  11.374   3.579
  391   2HB   TYR  53          1HB       TYR  53  -2.820  11.416   4.943
  392    HD1  TYR  53           1HD      TYR  53  -5.504  13.142   3.188
  393    HD2  TYR  53           2HD      TYR  53  -2.677  13.463   6.351
  394    HE1  TYR  53           1HE      TYR  53  -6.754  15.048   4.107
  395    HE2  TYR  53           2HE      TYR  53  -3.924  15.366   7.280
  396    HH   TYR  53           HH       TYR  53  -5.499  17.080   6.522
  397    H    LEU  54           H        LEU  54  -0.485  11.455   1.377
  398    HA   LEU  54           HA       LEU  54  -2.684  11.117  -0.562
  399   1HB   LEU  54          2HB       LEU  54  -0.899  12.787  -1.173
  400   2HB   LEU  54          1HB       LEU  54   0.230  11.445  -1.250
  401    HG   LEU  54           HG       LEU  54  -1.430  10.422  -2.952
  402   1HD1  LEU  54          1HD1      LEU  54  -3.331  11.670  -2.923
  403   2HD1  LEU  54          2HD1      LEU  54  -2.466  12.483  -4.225
  404   3HD1  LEU  54          3HD1      LEU  54  -2.478  13.178  -2.604
  405   1HD2  LEU  54          1HD2      LEU  54   0.529  12.614  -3.331
  406   2HD2  LEU  54          2HD2      LEU  54  -0.470  12.158  -4.711
  407   3HD2  LEU  54          3HD2      LEU  54   0.550  10.952  -3.924
  408    H    ASN  55           H        ASN  55  -3.248   9.072  -0.792
  409    HA   ASN  55           HA       ASN  55  -1.175   6.990  -0.556
  410   1HB   ASN  55          2HB       ASN  55  -2.898   6.862   1.193
  411   2HB   ASN  55          1HB       ASN  55  -4.149   6.775  -0.041
  412   1HD2  ASN  55          1HD2      ASN  55  -4.818   4.833  -0.565
  413   2HD2  ASN  55          2HD2      ASN  55  -3.950   3.357  -0.333
  414    H    ALA  56           H        ALA  56  -1.406   5.115  -1.939
  415    HA   ALA  56           HA       ALA  56  -3.258   5.100  -4.105
  416   1HB   ALA  56          1HB       ALA  56  -1.773   6.965  -4.800
  417   2HB   ALA  56          2HB       ALA  56  -1.803   5.619  -5.938
  418   3HB   ALA  56          3HB       ALA  56  -0.431   5.821  -4.850
  419    H    ALA  57           H        ALA  57  -3.610   2.942  -4.038
  420    HA   ALA  57           HA       ALA  57  -1.532   1.053  -3.500
  421   1HB   ALA  57          1HB       ALA  57  -4.119   0.883  -3.137
  422   2HB   ALA  57          2HB       ALA  57  -3.181  -0.556  -3.537
  423   3HB   ALA  57          3HB       ALA  57  -4.106   0.269  -4.791
  424    H    VAL  58           H        VAL  58  -1.304  -0.885  -5.134
  425    HA   VAL  58           HA       VAL  58  -1.565  -0.318  -7.901
  426    HB   VAL  58           HB       VAL  58   0.220   1.248  -7.537
  427   1HG1  VAL  58          1HG1      VAL  58   2.093  -0.909  -6.670
  428   2HG1  VAL  58          2HG1      VAL  58   1.063  -0.110  -5.485
  429   3HG1  VAL  58          3HG1      VAL  58   2.206   0.835  -6.438
  430   1HG2  VAL  58          1HG2      VAL  58   0.562   0.455  -9.637
  431   2HG2  VAL  58          2HG2      VAL  58   0.725  -1.216  -9.099
  432   3HG2  VAL  58          3HG2      VAL  58   2.069  -0.091  -8.905
  433    H    ALA  59           H        ALA  59  -1.807  -2.216  -8.842
  434    HA   ALA  59           HA       ALA  59  -0.996  -4.645  -7.535
  435   1HB   ALA  59          1HB       ALA  59  -2.365  -4.060 -10.150
  436   2HB   ALA  59          2HB       ALA  59  -3.078  -4.686  -8.662
  437   3HB   ALA  59          3HB       ALA  59  -1.985  -5.695  -9.608
  438    H    LEU  60           H        LEU  60   1.014  -5.422  -7.648
  439    HA   LEU  60           HA       LEU  60   2.654  -4.830 -10.012
  440   1HB   LEU  60          2HB       LEU  60   3.650  -4.185  -7.900
  441   2HB   LEU  60          1HB       LEU  60   3.423  -5.800  -7.262
  442    HG   LEU  60           HG       LEU  60   5.051  -6.675  -8.935
  443   1HD1  LEU  60          1HD1      LEU  60   4.553  -4.494 -10.384
  444   2HD1  LEU  60          2HD1      LEU  60   6.067  -5.392 -10.502
  445   3HD1  LEU  60          3HD1      LEU  60   5.984  -3.926  -9.524
  446   1HD2  LEU  60          1HD2      LEU  60   5.611  -4.880  -6.722
  447   2HD2  LEU  60          2HD2      LEU  60   6.918  -4.918  -7.905
  448   3HD2  LEU  60          3HD2      LEU  60   6.362  -6.414  -7.155
  449    H    GLU  61           H        GLU  61   2.877  -6.336 -11.498
  450    HA   GLU  61           HA       GLU  61   2.159  -9.090 -10.961
  451   1HB   GLU  61          2HB       GLU  61   1.608  -7.865 -13.104
  452   2HB   GLU  61          1HB       GLU  61   3.322  -7.894 -13.483
  453   1HG   GLU  61          2HG       GLU  61   3.319 -10.310 -13.516
  454   2HG   GLU  61          1HG       GLU  61   1.623 -10.334 -13.045
  455    H    THR  62           H        THR  62   3.733  -9.817  -9.529
  456    HA   THR  62           HA       THR  62   6.453 -10.013 -10.646
  457    HB   THR  62           HB       THR  62   6.546  -8.340  -8.939
  458    HG1  THR  62           1HG      THR  62   8.002  -9.262  -7.568
  459   1HG2  THR  62          1HG2      THR  62   5.395 -10.221  -6.922
  460   2HG2  THR  62          2HG2      THR  62   4.393  -9.081  -7.819
  461   3HG2  THR  62          3HG2      THR  62   5.691  -8.489  -6.781
  462    H    SER  63           H        SER  63   7.783 -11.680  -9.653
  463    HA   SER  63           HA       SER  63   6.237 -14.067  -8.884
  464   1HB   SER  63          2HB       SER  63   8.894 -13.908 -10.349
  465   2HB   SER  63          1HB       SER  63   8.078 -15.398  -9.872
  466    HG   SER  63           HG       SER  63   7.639 -14.878 -12.042
  467    H    LEU  64           H        LEU  64   8.305 -11.678  -8.013
  468    HA   LEU  64           HA       LEU  64   9.483 -13.159  -5.731
  469   1HB   LEU  64          2HB       LEU  64  11.052 -12.034  -7.347
  470   2HB   LEU  64          1HB       LEU  64  10.307 -10.519  -6.938
  471    HG   LEU  64           HG       LEU  64  11.344 -10.387  -4.915
  472   1HD1  LEU  64          1HD1      LEU  64  11.712 -13.395  -5.008
  473   2HD1  LEU  64          2HD1      LEU  64  10.569 -12.513  -3.994
  474   3HD1  LEU  64          3HD1      LEU  64  12.304 -12.348  -3.718
  475   1HD2  LEU  64          1HD2      LEU  64  13.344 -10.160  -5.828
  476   2HD2  LEU  64          2HD2      LEU  64  12.960 -11.346  -7.074
  477   3HD2  LEU  64          3HD2      LEU  64  13.640 -11.873  -5.534
  478    H    ALA  65           H        ALA  65   7.827 -12.805  -4.147
  479    HA   ALA  65           HA       ALA  65   7.567 -10.039  -3.481
  480   1HB   ALA  65          1HB       ALA  65   5.729  -9.517  -4.511
  481   2HB   ALA  65          2HB       ALA  65   4.920 -10.962  -3.906
  482   3HB   ALA  65          3HB       ALA  65   5.882 -11.042  -5.383
  483    HA   PRO  66           HA       PRO  66   4.504 -12.168  -0.626
  484   1HB   PRO  66          2HB       PRO  66   5.332 -15.021  -0.730
  485   2HB   PRO  66          1HB       PRO  66   3.724 -14.322  -0.600
  486   1HG   PRO  66          2HG       PRO  66   4.653 -15.388  -2.891
  487   2HG   PRO  66          1HG       PRO  66   3.511 -14.030  -2.860
  488   1HD   PRO  66          2HD       PRO  66   6.437 -14.044  -3.429
  489   2HD   PRO  66          1HD       PRO  66   5.171 -12.972  -4.064
  490    H    GLU  67           H        GLU  67   7.710 -12.422  -0.924
  491    HA   GLU  67           HA       GLU  67   7.977 -12.529   1.999
  492   1HB   GLU  67          2HB       GLU  67  10.172 -13.865   0.584
  493   2HB   GLU  67          1HB       GLU  67   9.341 -14.326   2.067
  494   1HG   GLU  67          2HG       GLU  67   7.460 -15.145   0.708
  495   2HG   GLU  67          1HG       GLU  67   8.380 -14.754  -0.729
  496    H    GLU  68           H        GLU  68   9.517 -12.002  -1.105
  497    HA   GLU  68           HA       GLU  68  11.372 -10.141   0.132
  498   1HB   GLU  68          2HB       GLU  68  11.996 -11.831  -1.689
  499   2HB   GLU  68          1HB       GLU  68  11.272 -10.677  -2.805
  500   1HG   GLU  68          2HG       GLU  68  13.569 -10.182  -2.770
  501   2HG   GLU  68          1HG       GLU  68  12.787  -8.932  -1.797
  502    H    LEU  69           H        LEU  69   8.622  -9.984  -2.192
  503    HA   LEU  69           HA       LEU  69   9.031  -7.367  -3.048
  504   1HB   LEU  69          2HB       LEU  69   7.297  -8.705  -3.971
  505   2HB   LEU  69          1HB       LEU  69   6.434  -8.743  -2.461
  506    HG   LEU  69           HG       LEU  69   5.390  -7.330  -4.165
  507   1HD1  LEU  69          1HD1      LEU  69   6.313  -5.492  -2.002
  508   2HD1  LEU  69          2HD1      LEU  69   5.273  -6.871  -1.649
  509   3HD1  LEU  69          3HD1      LEU  69   4.729  -5.621  -2.766
  510   1HD2  LEU  69          1HD2      LEU  69   6.390  -5.254  -4.872
  511   2HD2  LEU  69          2HD2      LEU  69   7.492  -6.584  -5.236
  512   3HD2  LEU  69          3HD2      LEU  69   7.796  -5.542  -3.846
  513    H    LEU  70           H        LEU  70   6.832  -8.167  -0.279
  514    HA   LEU  70           HA       LEU  70   6.499  -5.527   0.517
  515   1HB   LEU  70          2HB       LEU  70   5.249  -7.348   1.547
  516   2HB   LEU  70          1HB       LEU  70   6.710  -7.943   2.314
  517    HG   LEU  70           HG       LEU  70   5.812  -5.152   2.900
  518   1HD1  LEU  70          1HD1      LEU  70   4.827  -7.181   4.758
  519   2HD1  LEU  70          2HD1      LEU  70   4.026  -7.187   3.186
  520   3HD1  LEU  70          3HD1      LEU  70   4.051  -5.716   4.156
  521   1HD2  LEU  70          1HD2      LEU  70   6.654  -6.271   5.215
  522   2HD2  LEU  70          2HD2      LEU  70   7.701  -5.408   4.089
  523   3HD2  LEU  70          3HD2      LEU  70   7.617  -7.169   4.041
  524    H    ASN  71           H        ASN  71   9.234  -7.607   0.921
  525    HA   ASN  71           HA       ASN  71  10.606  -5.967   2.836
  526   1HB   ASN  71          2HB       ASN  71  11.010  -8.416   2.565
  527   2HB   ASN  71          1HB       ASN  71  11.734  -8.090   0.996
  528   1HD2  ASN  71          1HD2      ASN  71  12.421  -5.587   3.114
  529   2HD2  ASN  71          2HD2      ASN  71  13.990  -6.100   3.618
  530    H    HIS  72           H        HIS  72  10.521  -6.221  -0.668
  531    HA   HIS  72           HA       HIS  72  12.758  -4.467  -1.080
  532   1HB   HIS  72          2HB       HIS  72  10.824  -5.905  -2.828
  533   2HB   HIS  72          1HB       HIS  72  11.644  -4.506  -3.506
  534    HD1  HIS  72           1HD      HIS  72  14.441  -4.819  -2.429
  535    HD2  HIS  72           2HD      HIS  72  12.182  -7.998  -3.851
  536    HE1  HIS  72           1HE      HIS  72  16.107  -6.587  -3.074
  537    HE2  HIS  72           2HE      HIS  72  14.718  -8.512  -3.916
  538    H    THR  73           H        THR  73   9.318  -4.149  -0.763
  539    HA   THR  73           HA       THR  73   9.111  -1.545  -1.888
  540    HB   THR  73           HB       THR  73   6.935  -1.471  -0.653
  541    HG1  THR  73           1HG      THR  73   7.666  -4.077   0.180
  542   1HG2  THR  73          1HG2      THR  73   5.819  -2.892  -2.047
  543   2HG2  THR  73          2HG2      THR  73   7.048  -4.151  -1.927
  544   3HG2  THR  73          3HG2      THR  73   7.352  -2.712  -2.903
  545    H    GLN  74           H        GLN  74   9.738  -2.871   1.294
  546    HA   GLN  74           HA       GLN  74   9.641  -0.453   2.754
  547   1HB   GLN  74          2HB       GLN  74  11.203  -3.000   3.258
  548   2HB   GLN  74          1HB       GLN  74  11.032  -1.690   4.422
  549   1HG   GLN  74          2HG       GLN  74   8.806  -3.379   3.305
  550   2HG   GLN  74          1HG       GLN  74   9.502  -3.501   4.918
  551   1HE2  GLN  74          1HE2      GLN  74   6.952  -2.360   3.234
  552   2HE2  GLN  74          2HE2      GLN  74   6.444  -1.084   4.283
  553    H    ARG  75           H        ARG  75  11.930  -1.879   0.613
  554    HA   ARG  75           HA       ARG  75  14.231  -0.413   1.436
  555   1HB   ARG  75          2HB       ARG  75  14.463  -2.475   0.150
  556   2HB   ARG  75          1HB       ARG  75  13.582  -1.763  -1.192
  557   1HG   ARG  75          2HG       ARG  75  15.367  -0.140  -1.520
  558   2HG   ARG  75          1HG       ARG  75  16.253  -0.832  -0.161
  559   1HD   ARG  75          2HD       ARG  75  16.383  -2.973  -1.346
  560   2HD   ARG  75          1HD       ARG  75  15.500  -2.274  -2.702
  561    HE   ARG  75           HE       ARG  75  17.482  -1.443  -3.440
  562   1HH1  ARG  75          1HH1      ARG  75  17.725  -1.886   0.009
  563   2HH1  ARG  75          2HH1      ARG  75  19.373  -1.359   0.090
  564   1HH2  ARG  75          1HH2      ARG  75  19.649  -0.750  -3.343
  565   2HH2  ARG  75          2HH2      ARG  75  20.466  -0.713  -1.816
  566    H    ILE  76           H        ILE  76  11.471   0.275  -0.522
  567    HA   ILE  76           HA       ILE  76  12.606   2.366  -2.059
  568    HB   ILE  76           HB       ILE  76   9.689   2.065  -1.317
  569   1HG1  ILE  76          2HG1      ILE  76  11.369   0.788  -3.486
  570   2HG1  ILE  76          1HG1      ILE  76  10.374  -0.016  -2.281
  571   1HG2  ILE  76          1HG2      ILE  76  11.233   3.799  -3.143
  572   2HG2  ILE  76          2HG2      ILE  76   9.683   4.078  -2.352
  573   3HG2  ILE  76          3HG2      ILE  76   9.761   3.100  -3.815
  574   1HD1  ILE  76          1HD1      ILE  76   9.692   0.917  -4.911
  575   2HD1  ILE  76          2HD1      ILE  76   8.608   1.592  -3.694
  576   3HD1  ILE  76          3HD1      ILE  76   8.804  -0.156  -3.829
  577    H    GLU  77           H        GLU  77  11.365   2.086   1.127
  578    HA   GLU  77           HA       GLU  77  10.891   4.827   1.659
  579   1HB   GLU  77          2HB       GLU  77  11.606   2.550   3.518
  580   2HB   GLU  77          1HB       GLU  77  11.009   4.116   4.024
  581   1HG   GLU  77          2HG       GLU  77   8.911   3.718   2.864
  582   2HG   GLU  77          1HG       GLU  77   9.511   2.153   2.315
  583    H    LEU  78           H        LEU  78  13.687   2.810   1.555
  584    HA   LEU  78           HA       LEU  78  15.406   4.708   2.914
  585   1HB   LEU  78          2HB       LEU  78  16.062   2.116   1.511
  586   2HB   LEU  78          1HB       LEU  78  17.178   3.061   2.477
  587    HG   LEU  78           HG       LEU  78  14.676   1.739   3.535
  588   1HD1  LEU  78          1HD1      LEU  78  15.864  -0.135   3.541
  589   2HD1  LEU  78          2HD1      LEU  78  16.934   0.624   4.718
  590   3HD1  LEU  78          3HD1      LEU  78  17.314   0.707   2.999
  591   1HD2  LEU  78          1HD2      LEU  78  16.599   2.352   5.532
  592   2HD2  LEU  78          2HD2      LEU  78  14.959   2.977   5.355
  593   3HD2  LEU  78          3HD2      LEU  78  16.309   3.810   4.583
  594    H    GLN  79           H        GLN  79  15.264   3.206  -0.318
  595    HA   GLN  79           HA       GLN  79  17.253   4.824  -1.478
  596   1HB   GLN  79          2HB       GLN  79  16.283   4.061  -3.651
  597   2HB   GLN  79          1HB       GLN  79  16.640   2.754  -2.528
  598   1HG   GLN  79          2HG       GLN  79  14.315   2.583  -1.925
  599   2HG   GLN  79          1HG       GLN  79  13.920   3.966  -2.933
  600   1HE2  GLN  79          1HE2      GLN  79  16.186   2.458  -4.663
  601   2HE2  GLN  79          2HE2      GLN  79  15.215   1.390  -5.604
  602    H    GLN  80           H        GLN  80  14.140   5.681  -0.490
  603    HA   GLN  80           HA       GLN  80  13.771   7.724  -2.526
  604   1HB   GLN  80          2HB       GLN  80  12.117   6.412  -0.505
  605   2HB   GLN  80          1HB       GLN  80  11.841   8.139  -0.608
  606   1HG   GLN  80          2HG       GLN  80  11.730   6.240  -2.938
  607   2HG   GLN  80          1HG       GLN  80  10.329   6.811  -2.030
  608   1HE2  GLN  80          1HE2      GLN  80   9.302   8.435  -2.905
  609   2HE2  GLN  80          2HE2      GLN  80   9.974   9.636  -3.950
  610    H    GLY  81           H        GLY  81  15.182   7.406   0.563
  611   1HA   GLY  81          2HA       GLY  81  16.424   8.989   1.713
  612   2HA   GLY  81          1HA       GLY  81  15.830  10.219   0.602
  613    H    ARG  82           H        ARG  82  14.188   7.914   2.759
  614    HA   ARG  82           HA       ARG  82  12.117   9.622   3.453
  615   1HB   ARG  82          2HB       ARG  82  11.626   8.126   5.274
  616   2HB   ARG  82          1HB       ARG  82  12.143   7.175   3.890
  617   1HG   ARG  82          2HG       ARG  82  14.365   6.938   4.886
  618   2HG   ARG  82          1HG       ARG  82  13.833   7.884   6.278
  619   1HD   ARG  82          2HD       ARG  82  12.064   6.190   6.683
  620   2HD   ARG  82          1HD       ARG  82  12.737   5.225   5.372
  621    HE   ARG  82           HE       ARG  82  14.793   5.777   7.176
  622   1HH1  ARG  82          1HH1      ARG  82  11.804   3.987   7.061
  623   2HH1  ARG  82          2HH1      ARG  82  12.322   2.801   8.211
  624   1HH2  ARG  82          1HH2      ARG  82  15.481   4.223   8.688
  625   2HH2  ARG  82          2HH2      ARG  82  14.414   2.934   9.138
  626    H    VAL  83           H        VAL  83  11.713  10.473   5.704
  627    HA   VAL  83           HA       VAL  83  14.156  11.835   6.611
  628    HB   VAL  83           HB       VAL  83  11.345  12.895   6.808
  629   1HG1  VAL  83          1HG1      VAL  83  14.069  14.144   7.120
  630   2HG1  VAL  83          2HG1      VAL  83  12.820  13.962   8.353
  631   3HG1  VAL  83          3HG1      VAL  83  12.572  15.067   7.000
  632   1HG2  VAL  83          1HG2      VAL  83  11.400  13.574   4.677
  633   2HG2  VAL  83          2HG2      VAL  83  12.724  12.425   4.459
  634   3HG2  VAL  83          3HG2      VAL  83  13.071  14.120   4.810
  635    H    ARG  84           H        ARG  84  14.800  11.429   8.579
  636    HA   ARG  84           HA       ARG  84  13.564   9.675  10.336
  637   1HB   ARG  84          2HB       ARG  84  15.755  11.694  10.676
  638   2HB   ARG  84          1HB       ARG  84  15.166  10.780  12.055
  639   1HG   ARG  84          2HG       ARG  84  17.117   9.707  11.169
  640   2HG   ARG  84          1HG       ARG  84  15.711   8.688  10.861
  641   1HD   ARG  84          2HD       ARG  84  15.626   9.483   8.560
  642   2HD   ARG  84          1HD       ARG  84  16.997  10.548   8.862
  643    HE   ARG  84           HE       ARG  84  17.127   7.827   8.168
  644   1HH1  ARG  84          1HH1      ARG  84  18.615  10.125  10.328
  645   2HH1  ARG  84          2HH1      ARG  84  20.116   9.265  10.412
  646   1HH2  ARG  84          1HH2      ARG  84  19.098   6.694   8.274
  647   2HH2  ARG  84          2HH2      ARG  84  20.391   7.317   9.244
  648    H    LYS  85           H        LYS  85  11.542  10.070  10.954
  649    HA   LYS  85           HA       LYS  85  11.116  12.291  12.800
  650   1HB   LYS  85          2HB       LYS  85  10.235  13.036  10.606
  651   2HB   LYS  85          1HB       LYS  85   9.211  11.609  10.547
  652   1HG   LYS  85          2HG       LYS  85   7.919  13.532  11.221
  653   2HG   LYS  85          1HG       LYS  85   8.036  12.388  12.560
  654   1HD   LYS  85          2HD       LYS  85   9.809  13.731  13.565
  655   2HD   LYS  85          1HD       LYS  85   9.732  14.861  12.212
  656   1HE   LYS  85          2HE       LYS  85   7.502  14.272  14.156
  657   2HE   LYS  85          1HE       LYS  85   8.523  15.709  14.162
  658   1HZ   LYS  85          1HZ       LYS  85   6.434  16.181  13.093
  659   2HZ   LYS  85          2HZ       LYS  85   6.644  14.899  12.010
  660   3HZ   LYS  85          3HZ       LYS  85   7.671  16.241  11.940
  661    H    ALA  86           H        ALA  86   9.222  11.890  14.227
  662    HA   ALA  86           HA       ALA  86   9.237   9.370  15.345
  663   1HB   ALA  86          1HB       ALA  86   6.646  10.439  15.776
  664   2HB   ALA  86          2HB       ALA  86   7.784  11.784  15.733
  665   3HB   ALA  86          3HB       ALA  86   8.034  10.454  16.864
  666    H    GLU  87           H        GLU  87   8.750   7.501  14.415
  667    HA   GLU  87           HA       GLU  87   6.327   7.349  12.750
  668   1HB   GLU  87          2HB       GLU  87   8.275   7.170  11.315
  669   2HB   GLU  87          1HB       GLU  87   8.952   5.908  12.337
  670   1HG   GLU  87          2HG       GLU  87   7.031   4.466  11.766
  671   2HG   GLU  87          1HG       GLU  87   6.450   5.722  10.673
  672    H    ARG  88           H        ARG  88   5.002   6.566  14.394
  673    HA   ARG  88           HA       ARG  88   5.836   4.036  15.637
  674   1HB   ARG  88          2HB       ARG  88   5.114   5.901  17.134
  675   2HB   ARG  88          1HB       ARG  88   3.520   5.825  16.397
  676   1HG   ARG  88          2HG       ARG  88   3.462   4.660  18.483
  677   2HG   ARG  88          1HG       ARG  88   3.317   3.483  17.177
  678   1HD   ARG  88          2HD       ARG  88   5.909   4.138  18.573
  679   2HD   ARG  88          1HD       ARG  88   4.847   2.813  19.049
  680    HE   ARG  88           HE       ARG  88   5.386   2.517  16.335
  681   1HH1  ARG  88          1HH1      ARG  88   7.115   2.454  19.360
  682   2HH1  ARG  88          2HH1      ARG  88   8.313   1.338  18.801
  683   1HH2  ARG  88          1HH2      ARG  88   6.957   1.042  15.591
  684   2HH2  ARG  88          2HH2      ARG  88   8.223   0.534  16.658
  685    H    TRP  89           H        TRP  89   2.897   5.534  14.279
  686    HA   TRP  89           HA       TRP  89   2.162   2.883  13.224
  687   1HB   TRP  89          2HB       TRP  89   0.256   5.051  14.127
  688   2HB   TRP  89          1HB       TRP  89  -0.193   3.473  13.491
  689    HD1  TRP  89           HD       TRP  89   0.363   1.323  15.098
  690    HE1  TRP  89           1HE      TRP  89   0.458   1.166  17.666
  691    HE3  TRP  89           3HE      TRP  89   0.836   6.294  16.201
  692    HZ2  TRP  89           2HZ      TRP  89   0.694   2.917  19.867
  693    HZ3  TRP  89           3HZ      TRP  89   0.985   6.969  18.562
  694    HH2  TRP  89           HH       TRP  89   0.915   5.315  20.356
  695    H    GLY  90           H        GLY  90   2.502   6.287  12.625
  696   1HA   GLY  90          2HA       GLY  90   1.160   6.204  10.069
  697   2HA   GLY  90          1HA       GLY  90   1.990   7.582  10.769
  698    HA   PRO  91           HA       PRO  91   4.583   5.744   7.321
  699   1HB   PRO  91          2HB       PRO  91   4.056   8.126   5.762
  700   2HB   PRO  91          1HB       PRO  91   3.638   6.452   5.386
  701   1HG   PRO  91          2HG       PRO  91   1.789   8.372   5.954
  702   2HG   PRO  91          1HG       PRO  91   1.537   6.646   6.281
  703   1HD   PRO  91          2HD       PRO  91   2.392   8.825   8.157
  704   2HD   PRO  91          1HD       PRO  91   1.200   7.531   8.411
  705    H    ARG  92           H        ARG  92   4.293   9.199   8.140
  706    HA   ARG  92           HA       ARG  92   5.804  10.776   8.699
  707   1HB   ARG  92          2HB       ARG  92   7.044   9.899  10.335
  708   2HB   ARG  92          1HB       ARG  92   7.025   8.313   9.587
  709   1HG   ARG  92          2HG       ARG  92   8.912  10.434   8.635
  710   2HG   ARG  92          1HG       ARG  92   9.284   9.445  10.049
  711   1HD   ARG  92          2HD       ARG  92   8.856   7.434   8.628
  712   2HD   ARG  92          1HD       ARG  92   8.760   8.508   7.239
  713    HE   ARG  92           HE       ARG  92  11.034   8.544   7.206
  714   1HH1  ARG  92          1HH1      ARG  92  10.014   7.699  10.433
  715   2HH1  ARG  92          2HH1      ARG  92  11.628   7.469  11.017
  716   1HH2  ARG  92          1HH2      ARG  92  13.154   8.242   7.968
  717   2HH2  ARG  92          2HH2      ARG  92  13.412   7.778   9.617
  718    H    THR  93           H        THR  93   5.755   9.050   6.039
  719    HA   THR  93           HA       THR  93   6.622  10.843   4.229
  720    HB   THR  93           HB       THR  93   8.831   9.523   3.503
  721    HG1  THR  93           1HG      THR  93   9.853   9.579   5.877
  722   1HG2  THR  93          1HG2      THR  93   8.377  12.004   4.890
  723   2HG2  THR  93          2HG2      THR  93   9.529  11.608   3.613
  724   3HG2  THR  93          3HG2      THR  93   9.942  11.300   5.300
  725    H    LEU  94           H        LEU  94   8.113   7.703   3.921
  726    HA   LEU  94           HA       LEU  94   5.998   6.907   2.025
  727   1HB   LEU  94          2HB       LEU  94   8.313   7.204   1.131
  728   2HB   LEU  94          1HB       LEU  94   8.860   5.942   2.218
  729    HG   LEU  94           HG       LEU  94   7.312   4.358   1.063
  730   1HD1  LEU  94          1HD1      LEU  94   5.682   5.768   0.118
  731   2HD1  LEU  94          2HD1      LEU  94   6.594   5.118  -1.245
  732   3HD1  LEU  94          3HD1      LEU  94   6.895   6.763  -0.687
  733   1HD2  LEU  94          1HD2      LEU  94   9.093   3.783  -0.130
  734   2HD2  LEU  94          2HD2      LEU  94   9.813   5.344   0.270
  735   3HD2  LEU  94          3HD2      LEU  94   8.869   5.160  -1.209
  736    H    ASP  95           H        ASP  95   5.267   4.753   2.060
  737    HA   ASP  95           HA       ASP  95   6.122   2.855   3.983
  738   1HB   ASP  95          2HB       ASP  95   5.009   4.441   5.521
  739   2HB   ASP  95          1HB       ASP  95   3.520   4.282   4.596
  740    H    LEU  96           H        LEU  96   6.060   1.525   2.161
  741    HA   LEU  96           HA       LEU  96   3.341   0.809   1.307
  742   1HB   LEU  96          2HB       LEU  96   4.226   0.224  -0.900
  743   2HB   LEU  96          1HB       LEU  96   4.444   1.920  -0.528
  744    HG   LEU  96           HG       LEU  96   6.640  -0.133  -0.266
  745   1HD1  LEU  96          1HD1      LEU  96   7.181   0.096  -2.429
  746   2HD1  LEU  96          2HD1      LEU  96   6.773   1.812  -2.450
  747   3HD1  LEU  96          3HD1      LEU  96   5.502   0.602  -2.626
  748   1HD2  LEU  96          1HD2      LEU  96   6.387   2.616   0.500
  749   2HD2  LEU  96          2HD2      LEU  96   7.612   2.458  -0.759
  750   3HD2  LEU  96          3HD2      LEU  96   7.747   1.516   0.727
  751    H    ASP  97           H        ASP  97   2.837  -1.035   2.214
  752    HA   ASP  97           HA       ASP  97   4.794  -3.232   2.130
  753   1HB   ASP  97          2HB       ASP  97   3.907  -4.035   4.292
  754   2HB   ASP  97          1HB       ASP  97   4.647  -2.447   4.441
  755    H    ILE  98           H        ILE  98   3.915  -5.325   1.856
  756    HA   ILE  98           HA       ILE  98   1.816  -5.517   0.073
  757    HB   ILE  98           HB       ILE  98   3.260  -7.501   1.748
  758   1HG1  ILE  98          2HG1      ILE  98   4.167  -6.857  -0.396
  759   2HG1  ILE  98          1HG1      ILE  98   3.611  -8.520  -0.479
  760   1HG2  ILE  98          1HG2      ILE  98   0.663  -8.109   0.335
  761   2HG2  ILE  98          2HG2      ILE  98   1.017  -8.310   2.051
  762   3HG2  ILE  98          3HG2      ILE  98   1.818  -9.333   0.859
  763   1HD1  ILE  98          1HD1      ILE  98   2.718  -6.174  -1.958
  764   2HD1  ILE  98          2HD1      ILE  98   1.410  -7.174  -1.329
  765   3HD1  ILE  98          3HD1      ILE  98   2.636  -7.885  -2.379
  766    H    MET  99           H        MET  99  -0.212  -5.123   0.286
  767    HA   MET  99           HA       MET  99  -1.517  -5.384   2.900
  768   1HB   MET  99          2HB       MET  99  -2.428  -3.977   0.379
  769   2HB   MET  99          1HB       MET  99  -3.313  -4.007   1.896
  770   1HG   MET  99          2HG       MET  99  -0.530  -2.918   1.749
  771   2HG   MET  99          1HG       MET  99  -1.924  -1.934   1.313
  772   1HE   MET  99          1HE       MET  99  -0.357  -3.243   5.294
  773   2HE   MET  99          2HE       MET  99  -0.224  -4.110   3.764
  774   3HE   MET  99          3HE       MET  99  -1.586  -4.423   4.838
  775    H    LEU 100           H        LEU 100  -1.453  -6.588  -0.340
  776    HA   LEU 100           HA       LEU 100  -3.122  -8.815   0.398
  777   1HB   LEU 100          2HB       LEU 100  -4.217  -6.557  -1.012
  778   2HB   LEU 100          1HB       LEU 100  -4.247  -7.961  -2.060
  779    HG   LEU 100           HG       LEU 100  -5.498  -7.739   0.683
  780   1HD1  LEU 100          1HD1      LEU 100  -6.759  -8.022  -2.042
  781   2HD1  LEU 100          2HD1      LEU 100  -6.683  -6.533  -1.101
  782   3HD1  LEU 100          3HD1      LEU 100  -7.605  -7.911  -0.498
  783   1HD2  LEU 100          1HD2      LEU 100  -4.563  -9.997   0.139
  784   2HD2  LEU 100          2HD2      LEU 100  -5.661 -10.051  -1.238
  785   3HD2  LEU 100          3HD2      LEU 100  -6.307  -9.960   0.400
  786    H    PHE 101           H        PHE 101  -2.690 -10.611  -0.860
  787    HA   PHE 101           HA       PHE 101  -1.257 -10.300  -3.347
  788   1HB   PHE 101          2HB       PHE 101   0.467 -10.197  -1.447
  789   2HB   PHE 101          1HB       PHE 101   0.116 -11.907  -1.202
  790    HD1  PHE 101           1HD      PHE 101   0.611 -13.535  -2.962
  791    HD2  PHE 101           2HD      PHE 101   1.738  -9.450  -3.311
  792    HE1  PHE 101           1HE      PHE 101   2.139 -14.121  -4.799
  793    HE2  PHE 101           2HE      PHE 101   3.260 -10.024  -5.155
  794    HZ   PHE 101           HZ       PHE 101   3.464 -12.362  -5.901
  795    H    GLY 102           H        GLY 102  -2.969 -11.409  -4.281
  796   1HA   GLY 102          2HA       GLY 102  -4.170 -13.239  -4.971
  797   2HA   GLY 102          1HA       GLY 102  -2.735 -14.160  -4.550
  798    H    ASN 103           H        ASN 103  -2.640 -15.255  -2.605
  799    HA   ASN 103           HA       ASN 103  -4.836 -15.053  -0.717
  800   1HB   ASN 103          2HB       ASN 103  -5.392 -17.450  -0.860
  801   2HB   ASN 103          1HB       ASN 103  -5.732 -16.617  -2.376
  802   1HD2  ASN 103          1HD2      ASN 103  -3.621 -18.816  -0.717
  803   2HD2  ASN 103          2HD2      ASN 103  -2.881 -19.487  -2.121
  804    H    GLU 104           H        GLU 104  -1.658 -15.274  -1.234
  805    HA   GLU 104           HA       GLU 104  -0.603 -17.307   0.270
  806   1HB   GLU 104          2HB       GLU 104   0.509 -14.547   0.520
  807   2HB   GLU 104          1HB       GLU 104   1.364 -16.078   0.452
  808   1HG   GLU 104          2HG       GLU 104  -0.037 -14.696  -1.805
  809   2HG   GLU 104          1HG       GLU 104   1.700 -14.844  -1.575
  810    H    VAL 105           H        VAL 105   0.076 -17.521   2.418
  811    HA   VAL 105           HA       VAL 105  -0.817 -15.598   4.395
  812    HB   VAL 105           HB       VAL 105  -1.822 -18.452   4.439
  813   1HG1  VAL 105          1HG1      VAL 105  -1.305 -17.894   6.675
  814   2HG1  VAL 105          2HG1      VAL 105  -3.041 -17.630   6.506
  815   3HG1  VAL 105          3HG1      VAL 105  -1.934 -16.257   6.491
  816   1HG2  VAL 105          1HG2      VAL 105  -3.069 -15.828   3.804
  817   2HG2  VAL 105          2HG2      VAL 105  -4.040 -17.039   4.644
  818   3HG2  VAL 105          3HG2      VAL 105  -3.333 -17.412   3.071
  819    H    ILE 106           H        ILE 106   1.445 -15.398   4.624
  820    HA   ILE 106           HA       ILE 106   2.594 -17.267   6.493
  821    HB   ILE 106           HB       ILE 106   4.738 -17.251   5.097
  822   1HG1  ILE 106          2HG1      ILE 106   2.730 -16.692   2.915
  823   2HG1  ILE 106          1HG1      ILE 106   3.994 -15.589   3.451
  824   1HG2  ILE 106          1HG2      ILE 106   3.092 -19.178   5.531
  825   2HG2  ILE 106          2HG2      ILE 106   4.248 -19.345   4.208
  826   3HG2  ILE 106          3HG2      ILE 106   2.573 -18.908   3.867
  827   1HD1  ILE 106          1HD1      ILE 106   4.665 -16.647   1.408
  828   2HD1  ILE 106          2HD1      ILE 106   4.374 -18.246   2.093
  829   3HD1  ILE 106          3HD1      ILE 106   5.680 -17.243   2.724
  830    H    ASN 107           H        ASN 107   3.745 -16.178   7.975
  831    HA   ASN 107           HA       ASN 107   4.479 -13.393   7.367
  832   1HB   ASN 107          2HB       ASN 107   3.985 -14.733  10.037
  833   2HB   ASN 107          1HB       ASN 107   4.486 -13.060   9.829
  834   1HD2  ASN 107          1HD2      ASN 107   2.513 -13.679   7.287
  835   2HD2  ASN 107          2HD2      ASN 107   1.009 -13.162   7.953
  836    H    THR 108           H        THR 108   6.531 -13.315   6.724
  837    HA   THR 108           HA       THR 108   8.492 -15.113   7.933
  838    HB   THR 108           HB       THR 108  10.026 -14.270   6.200
  839    HG1  THR 108           1HG      THR 108   8.097 -12.926   4.804
  840   1HG2  THR 108          1HG2      THR 108   7.438 -14.860   4.820
  841   2HG2  THR 108          2HG2      THR 108   8.326 -16.100   5.706
  842   3HG2  THR 108          3HG2      THR 108   9.079 -15.286   4.334
  843    H    GLU 109           H        GLU 109  10.364 -12.661   7.033
  844    HA   GLU 109           HA       GLU 109  10.807 -11.790   9.723
  845   1HB   GLU 109          2HB       GLU 109  11.992 -10.806   7.120
  846   2HB   GLU 109          1HB       GLU 109  12.554 -10.345   8.721
  847   1HG   GLU 109          2HG       GLU 109  13.126 -12.678   9.186
  848   2HG   GLU 109          1HG       GLU 109  12.580 -13.128   7.572
  849    H    ARG 110           H        ARG 110  10.675  -9.549   7.010
  850    HA   ARG 110           HA       ARG 110   9.009  -7.757   8.604
  851   1HB   ARG 110          2HB       ARG 110  10.484  -7.333   5.998
  852   2HB   ARG 110          1HB       ARG 110   9.540  -6.104   6.820
  853   1HG   ARG 110          2HG       ARG 110  11.882  -7.480   8.102
  854   2HG   ARG 110          1HG       ARG 110  12.033  -6.002   7.151
  855   1HD   ARG 110          2HD       ARG 110  11.909  -5.415   9.476
  856   2HD   ARG 110          1HD       ARG 110  10.420  -4.909   8.682
  857    HE   ARG 110           HE       ARG 110   9.298  -6.245  10.136
  858   1HH1  ARG 110          1HH1      ARG 110  12.542  -7.484   9.824
  859   2HH1  ARG 110          2HH1      ARG 110  12.307  -8.745  10.985
  860   1HH2  ARG 110          1HH2      ARG 110   8.988  -7.896  11.671
  861   2HH2  ARG 110          2HH2      ARG 110  10.287  -8.980  12.035
  862    H    LEU 111           H        LEU 111   8.947  -9.722   5.746
  863    HA   LEU 111           HA       LEU 111   6.761  -8.622   4.423
  864   1HB   LEU 111          2HB       LEU 111   8.094 -10.164   3.243
  865   2HB   LEU 111          1HB       LEU 111   7.914 -11.399   4.464
  866    HG   LEU 111           HG       LEU 111   6.699 -11.824   2.339
  867   1HD1  LEU 111          1HD1      LEU 111   5.045 -12.984   3.365
  868   2HD1  LEU 111          2HD1      LEU 111   4.590 -11.637   4.409
  869   3HD1  LEU 111          3HD1      LEU 111   6.029 -12.591   4.776
  870   1HD2  LEU 111          1HD2      LEU 111   4.444 -10.611   2.197
  871   2HD2  LEU 111          2HD2      LEU 111   5.885  -9.776   1.616
  872   3HD2  LEU 111          3HD2      LEU 111   5.211  -9.377   3.197
  873    H    THR 112           H        THR 112   4.653  -8.772   4.561
  874    HA   THR 112           HA       THR 112   3.378 -10.668   6.360
  875    HB   THR 112           HB       THR 112   1.850  -8.610   6.977
  876    HG1  THR 112           1HG      THR 112   3.611  -6.863   7.343
  877   1HG2  THR 112          1HG2      THR 112   4.404  -8.494   8.461
  878   2HG2  THR 112          2HG2      THR 112   3.511 -10.016   8.459
  879   3HG2  THR 112          3HG2      THR 112   2.742  -8.542   9.052
  880    H    VAL 113           H        VAL 113   1.524 -11.467   5.474
  881    HA   VAL 113           HA       VAL 113   0.742 -10.431   2.875
  882    HB   VAL 113           HB       VAL 113   0.874 -12.970   3.904
  883   1HG1  VAL 113          1HG1      VAL 113  -1.572 -13.742   3.795
  884   2HG1  VAL 113          2HG1      VAL 113  -1.958 -12.066   4.174
  885   3HG1  VAL 113          3HG1      VAL 113  -0.973 -13.016   5.286
  886   1HG2  VAL 113          1HG2      VAL 113   0.716 -13.392   1.754
  887   2HG2  VAL 113          2HG2      VAL 113   0.146 -11.748   1.478
  888   3HG2  VAL 113          3HG2      VAL 113  -1.012 -13.042   1.785
  889    HA   PRO 114           HA       PRO 114  -3.248  -8.287   3.529
  890   1HB   PRO 114          2HB       PRO 114  -4.376 -10.879   4.540
  891   2HB   PRO 114          1HB       PRO 114  -5.169  -9.611   3.598
  892   1HG   PRO 114          2HG       PRO 114  -3.964 -11.884   2.523
  893   2HG   PRO 114          1HG       PRO 114  -4.342 -10.404   1.629
  894   1HD   PRO 114          2HD       PRO 114  -1.770 -11.445   2.137
  895   2HD   PRO 114          1HD       PRO 114  -2.137  -9.823   1.519
  896    H    HIS 115           H        HIS 115  -2.428  -7.026   5.136
  897    HA   HIS 115           HA       HIS 115  -2.072  -7.949   7.825
  898   1HB   HIS 115          2HB       HIS 115  -0.715  -6.166   6.587
  899   2HB   HIS 115          1HB       HIS 115  -2.083  -5.093   6.843
  900    HD1  HIS 115           1HD      HIS 115  -2.782  -5.503   9.722
  901    HD2  HIS 115           2HD      HIS 115   1.146  -5.391   8.359
  902    HE1  HIS 115           1HE      HIS 115  -1.394  -4.858  11.719
  903    HE2  HIS 115           2HE      HIS 115   0.978  -4.796  10.872
  904    H    TYR 116           H        TYR 116  -3.786  -8.295   9.089
  905    HA   TYR 116           HA       TYR 116  -6.376  -7.471   8.728
  906   1HB   TYR 116          2HB       TYR 116  -6.409  -7.617  11.383
  907   2HB   TYR 116          1HB       TYR 116  -6.261  -9.050  10.377
  908    HD1  TYR 116           1HD      TYR 116  -3.572  -6.579  11.192
  909    HD2  TYR 116           2HD      TYR 116  -5.095 -10.511  11.772
  910    HE1  TYR 116           1HE      TYR 116  -1.511  -7.199  12.375
  911    HE2  TYR 116           2HE      TYR 116  -3.033 -11.139  12.952
  912    HH   TYR 116           HH       TYR 116  -0.540 -10.247  12.909
  913    H    ASP 117           H        ASP 117  -6.565  -5.348   8.056
  914    HA   ASP 117           HA       ASP 117  -6.895  -3.372  10.058
  915   1HB   ASP 117          2HB       ASP 117  -4.328  -3.594   9.773
  916   2HB   ASP 117          1HB       ASP 117  -4.577  -2.819   8.217
  917    H    MET 118           H        MET 118  -5.776  -3.574   6.722
  918    HA   MET 118           HA       MET 118  -6.945  -1.406   5.568
  919   1HB   MET 118          2HB       MET 118  -6.776  -2.620   3.468
  920   2HB   MET 118          1HB       MET 118  -5.367  -2.920   4.476
  921   1HG   MET 118          2HG       MET 118  -6.642  -5.026   5.236
  922   2HG   MET 118          1HG       MET 118  -7.623  -4.756   3.796
  923   1HE   MET 118          1HE       MET 118  -3.636  -4.104   4.174
  924   2HE   MET 118          2HE       MET 118  -3.166  -5.791   3.959
  925   3HE   MET 118          3HE       MET 118  -4.211  -5.328   5.304
  926    H    LYS 119           H        LYS 119  -8.434  -4.573   5.989
  927    HA   LYS 119           HA       LYS 119 -10.815  -3.942   4.589
  928   1HB   LYS 119          2HB       LYS 119 -11.636  -6.070   5.777
  929   2HB   LYS 119          1HB       LYS 119 -10.315  -6.186   4.620
  930   1HG   LYS 119          2HG       LYS 119  -8.709  -6.170   6.478
  931   2HG   LYS 119          1HG       LYS 119 -10.060  -6.142   7.619
  932   1HD   LYS 119          2HD       LYS 119 -10.843  -8.279   6.827
  933   2HD   LYS 119          1HD       LYS 119  -9.626  -8.294   5.550
  934   1HE   LYS 119          2HE       LYS 119  -9.064  -8.334   8.512
  935   2HE   LYS 119          1HE       LYS 119  -9.002  -9.730   7.436
  936   1HZ   LYS 119          1HZ       LYS 119  -6.802  -8.944   7.704
  937   2HZ   LYS 119          2HZ       LYS 119  -7.245  -7.343   7.388
  938   3HZ   LYS 119          3HZ       LYS 119  -7.282  -8.490   6.146
  939    H    ASN 120           H        ASN 120  -9.886  -2.412   7.137
  940    HA   ASN 120           HA       ASN 120 -12.582  -2.258   8.310
  941   1HB   ASN 120          2HB       ASN 120  -9.965  -1.777   9.760
  942   2HB   ASN 120          1HB       ASN 120 -11.574  -1.705  10.465
  943   1HD2  ASN 120          1HD2      ASN 120  -8.943  -3.485  10.417
  944   2HD2  ASN 120          2HD2      ASN 120  -9.598  -5.072  10.611
  945    H    ARG 121           H        ARG 121 -10.749  -0.879   6.204
  946    HA   ARG 121           HA       ARG 121 -11.594   1.847   6.828
  947   1HB   ARG 121          2HB       ARG 121  -8.748   1.235   6.014
  948   2HB   ARG 121          1HB       ARG 121  -9.409   2.785   6.511
  949   1HG   ARG 121          2HG       ARG 121  -9.618   0.615   8.487
  950   2HG   ARG 121          1HG       ARG 121  -7.984   1.169   8.119
  951   1HD   ARG 121          2HD       ARG 121  -8.937   2.401  10.005
  952   2HD   ARG 121          1HD       ARG 121  -8.658   3.468   8.630
  953    HE   ARG 121           HE       ARG 121 -11.295   2.519   8.521
  954   1HH1  ARG 121          1HH1      ARG 121  -9.292   4.622  10.450
  955   2HH1  ARG 121          2HH1      ARG 121 -10.609   5.632  10.947
  956   1HH2  ARG 121          1HH2      ARG 121 -13.033   3.843   9.173
  957   2HH2  ARG 121          2HH2      ARG 121 -12.735   5.188  10.223
  958    H    GLY 122           H        GLY 122 -10.511   3.236   4.831
  959   1HA   GLY 122          2HA       GLY 122 -11.183   1.767   2.350
  960   2HA   GLY 122          1HA       GLY 122 -11.673   3.434   2.619
  961    H    PHE 123           H        PHE 123  -8.888   3.408   4.112
  962    HA   PHE 123           HA       PHE 123  -7.455   4.849   2.180
  963   1HB   PHE 123          2HB       PHE 123  -7.082   5.128   4.568
  964   2HB   PHE 123          1HB       PHE 123  -6.541   3.458   4.712
  965    HD1  PHE 123           1HD      PHE 123  -4.330   2.813   3.983
  966    HD2  PHE 123           2HD      PHE 123  -5.659   6.840   3.641
  967    HE1  PHE 123           1HE      PHE 123  -2.013   3.540   3.590
  968    HE2  PHE 123           2HE      PHE 123  -3.347   7.576   3.247
  969    HZ   PHE 123           HZ       PHE 123  -1.515   5.952   3.302
  970    H    MET 124           H        MET 124  -7.302   1.509   3.264
  971    HA   MET 124           HA       MET 124  -5.223   0.875   1.328
  972   1HB   MET 124          2HB       MET 124  -6.641  -0.903   3.326
  973   2HB   MET 124          1HB       MET 124  -5.275  -1.373   2.328
  974   1HG   MET 124          2HG       MET 124  -4.411  -0.906   4.460
  975   2HG   MET 124          1HG       MET 124  -3.960   0.456   3.437
  976   1HE   MET 124          1HE       MET 124  -3.279   1.063   5.753
  977   2HE   MET 124          2HE       MET 124  -4.363   0.809   7.121
  978   3HE   MET 124          3HE       MET 124  -4.153   2.427   6.450
  979    H    LEU 125           H        LEU 125  -8.600   0.051   1.953
  980    HA   LEU 125           HA       LEU 125  -8.818  -1.815  -0.174
  981   1HB   LEU 125          2HB       LEU 125 -10.985  -0.360   1.317
  982   2HB   LEU 125          1HB       LEU 125 -11.200  -1.784   0.318
  983    HG   LEU 125           HG       LEU 125  -9.629  -1.653   2.890
  984   1HD1  LEU 125          1HD1      LEU 125 -11.425  -2.481   3.971
  985   2HD1  LEU 125          2HD1      LEU 125 -11.985  -3.397   2.571
  986   3HD1  LEU 125          3HD1      LEU 125 -12.299  -1.664   2.677
  987   1HD2  LEU 125          1HD2      LEU 125  -8.921  -3.280   0.973
  988   2HD2  LEU 125          2HD2      LEU 125 -10.353  -4.179   1.475
  989   3HD2  LEU 125          3HD2      LEU 125  -9.056  -3.869   2.630
  990    H    TRP 126           H        TRP 126 -10.158   1.520   0.112
  991    HA   TRP 126           HA       TRP 126 -11.500   1.643  -2.274
  992   1HB   TRP 126          2HB       TRP 126 -11.600   3.439  -0.683
  993   2HB   TRP 126          1HB       TRP 126  -9.908   3.832  -0.942
  994    HD1  TRP 126           HD       TRP 126 -10.510   6.284  -1.607
  995    HE1  TRP 126           1HE      TRP 126 -11.440   7.348  -3.758
  996    HE3  TRP 126           3HE      TRP 126 -12.259   2.068  -3.918
  997    HZ2  TRP 126           2HZ      TRP 126 -12.736   6.515  -6.116
  998    HZ3  TRP 126           3HZ      TRP 126 -13.331   2.293  -6.118
  999    HH2  TRP 126           HH       TRP 126 -13.565   4.471  -7.194
 1000    HA   PRO 127           HA       PRO 127  -7.452   3.108  -4.621
 1001   1HB   PRO 127          2HB       PRO 127  -5.336   2.031  -2.851
 1002   2HB   PRO 127          1HB       PRO 127  -5.409   3.574  -3.710
 1003   1HG   PRO 127          2HG       PRO 127  -5.742   3.481  -1.071
 1004   2HG   PRO 127          1HG       PRO 127  -6.721   4.571  -2.075
 1005   1HD   PRO 127          2HD       PRO 127  -7.459   1.912  -0.895
 1006   2HD   PRO 127          1HD       PRO 127  -8.408   3.414  -0.959
 1007    H    LEU 128           H        LEU 128  -6.911   0.186  -2.649
 1008    HA   LEU 128           HA       LEU 128  -5.677  -1.375  -4.623
 1009   1HB   LEU 128          2HB       LEU 128  -6.351  -1.714  -1.988
 1010   2HB   LEU 128          1HB       LEU 128  -7.455  -2.805  -2.796
 1011    HG   LEU 128           HG       LEU 128  -5.458  -3.812  -3.948
 1012   1HD1  LEU 128          1HD1      LEU 128  -4.069  -2.124  -1.869
 1013   2HD1  LEU 128          2HD1      LEU 128  -3.824  -2.104  -3.616
 1014   3HD1  LEU 128          3HD1      LEU 128  -3.314  -3.501  -2.672
 1015   1HD2  LEU 128          1HD2      LEU 128  -4.737  -4.926  -1.683
 1016   2HD2  LEU 128          2HD2      LEU 128  -6.354  -5.183  -2.338
 1017   3HD2  LEU 128          3HD2      LEU 128  -6.102  -4.011  -1.044
 1018    H    PHE 129           H        PHE 129  -8.973  -0.606  -3.994
 1019    HA   PHE 129           HA       PHE 129 -10.279  -2.666  -5.401
 1020   1HB   PHE 129          2HB       PHE 129 -11.391  -1.108  -3.828
 1021   2HB   PHE 129          1HB       PHE 129 -11.153   0.210  -4.970
 1022    HD1  PHE 129           1HD      PHE 129 -12.832   0.729  -6.449
 1023    HD2  PHE 129           2HD      PHE 129 -12.711  -3.163  -4.740
 1024    HE1  PHE 129           1HE      PHE 129 -14.997   0.209  -7.497
 1025    HE2  PHE 129           2HE      PHE 129 -14.874  -3.696  -5.787
 1026    HZ   PHE 129           HZ       PHE 129 -16.020  -2.007  -7.168
 1027    H    GLU 130           H        GLU 130  -8.332  -0.110  -6.509
 1028    HA   GLU 130           HA       GLU 130  -9.546  -0.135  -9.176
 1029   1HB   GLU 130          2HB       GLU 130  -9.256   2.073  -8.146
 1030   2HB   GLU 130          1HB       GLU 130  -7.530   1.779  -7.990
 1031   1HG   GLU 130          2HG       GLU 130  -7.933   3.207  -9.873
 1032   2HG   GLU 130          1HG       GLU 130  -7.356   1.642 -10.440
 1033    H    ILE 131           H        ILE 131  -6.547  -0.810  -7.452
 1034    HA   ILE 131           HA       ILE 131  -4.977  -1.180  -9.807
 1035    HB   ILE 131           HB       ILE 131  -3.242  -1.925  -8.407
 1036   1HG1  ILE 131          2HG1      ILE 131  -5.236  -2.425  -6.176
 1037   2HG1  ILE 131          1HG1      ILE 131  -4.622  -3.692  -7.231
 1038   1HG2  ILE 131          1HG2      ILE 131  -3.992  -0.377  -6.219
 1039   2HG2  ILE 131          2HG2      ILE 131  -4.904   0.284  -7.578
 1040   3HG2  ILE 131          3HG2      ILE 131  -3.147   0.171  -7.669
 1041   1HD1  ILE 131          1HD1      ILE 131  -2.929  -1.966  -5.451
 1042   2HD1  ILE 131          2HD1      ILE 131  -2.388  -3.331  -6.428
 1043   3HD1  ILE 131          3HD1      ILE 131  -3.480  -3.595  -5.069
 1044    H    ALA 132           H        ALA 132  -7.044  -3.162  -7.880
 1045    HA   ALA 132           HA       ALA 132  -7.638  -5.034  -9.764
 1046   1HB   ALA 132          1HB       ALA 132  -5.656  -6.100 -10.033
 1047   2HB   ALA 132          2HB       ALA 132  -6.214  -6.992  -8.617
 1048   3HB   ALA 132          3HB       ALA 132  -5.078  -5.659  -8.425
 1049    HA   PRO 133           HA       PRO 133  -9.925  -5.633  -5.877
 1050   1HB   PRO 133          2HB       PRO 133 -12.283  -4.778  -6.636
 1051   2HB   PRO 133          1HB       PRO 133 -10.946  -3.615  -6.481
 1052   1HG   PRO 133          2HG       PRO 133 -12.047  -4.913  -8.962
 1053   2HG   PRO 133          1HG       PRO 133 -11.629  -3.212  -8.691
 1054   1HD   PRO 133          2HD       PRO 133  -9.966  -5.107  -9.880
 1055   2HD   PRO 133          1HD       PRO 133  -9.428  -3.573  -9.169
 1056    H    GLU 134           H        GLU 134  -9.493  -7.404  -8.450
 1057    HA   GLU 134           HA       GLU 134 -11.913  -9.054  -8.282
 1058   1HB   GLU 134          2HB       GLU 134 -10.991 -10.244 -10.225
 1059   2HB   GLU 134          1HB       GLU 134 -11.076  -8.513 -10.534
 1060   1HG   GLU 134          2HG       GLU 134  -8.684  -8.320 -10.024
 1061   2HG   GLU 134          1HG       GLU 134  -8.613 -10.062  -9.770
 1062    H    LEU 135           H        LEU 135  -9.860  -8.682  -6.248
 1063    HA   LEU 135           HA       LEU 135  -8.509 -11.247  -6.059
 1064   1HB   LEU 135          2HB       LEU 135  -7.584  -8.881  -5.544
 1065   2HB   LEU 135          1HB       LEU 135  -8.469  -9.032  -4.048
 1066    HG   LEU 135           HG       LEU 135  -6.001  -9.610  -4.024
 1067   1HD1  LEU 135          1HD1      LEU 135  -8.157 -11.401  -2.949
 1068   2HD1  LEU 135          2HD1      LEU 135  -7.245 -10.146  -2.110
 1069   3HD1  LEU 135          3HD1      LEU 135  -6.456 -11.659  -2.556
 1070   1HD2  LEU 135          1HD2      LEU 135  -6.036 -10.976  -6.086
 1071   2HD2  LEU 135          2HD2      LEU 135  -7.000 -12.181  -5.235
 1072   3HD2  LEU 135          3HD2      LEU 135  -5.356 -11.826  -4.700
 1073    H    VAL 136           H        VAL 136  -8.896 -12.745  -4.448
 1074    HA   VAL 136           HA       VAL 136 -11.075 -12.178  -2.582
 1075    HB   VAL 136           HB       VAL 136 -12.218 -13.362  -4.290
 1076   1HG1  VAL 136          1HG1      VAL 136 -10.975 -15.894  -4.412
 1077   2HG1  VAL 136          2HG1      VAL 136  -9.706 -14.690  -4.635
 1078   3HG1  VAL 136          3HG1      VAL 136 -11.116 -14.691  -5.694
 1079   1HG2  VAL 136          1HG2      VAL 136 -12.975 -15.355  -3.127
 1080   2HG2  VAL 136          2HG2      VAL 136 -12.723 -14.037  -1.982
 1081   3HG2  VAL 136          3HG2      VAL 136 -11.534 -15.333  -2.109
 1082    H    PHE 137           H        PHE 137 -10.421 -12.520  -0.599
 1083    HA   PHE 137           HA       PHE 137  -7.994 -13.615   0.159
 1084   1HB   PHE 137          2HB       PHE 137 -10.568 -13.183   1.667
 1085   2HB   PHE 137          1HB       PHE 137  -9.123 -13.787   2.456
 1086    HD1  PHE 137           1HD      PHE 137  -9.665 -11.096  -0.079
 1087    HD2  PHE 137           2HD      PHE 137  -8.268 -12.139   3.804
 1088    HE1  PHE 137           1HE      PHE 137  -8.900  -8.786   0.263
 1089    HE2  PHE 137           2HE      PHE 137  -7.499  -9.829   4.151
 1090    HZ   PHE 137           HZ       PHE 137  -7.814  -8.149   2.379
 1091    HA   PRO 138           HA       PRO 138  -8.290 -18.024   0.047
 1092   1HB   PRO 138          2HB       PRO 138  -7.497 -18.551   2.694
 1093   2HB   PRO 138          1HB       PRO 138  -6.436 -18.461   1.285
 1094   1HG   PRO 138          2HG       PRO 138  -7.006 -16.418   3.367
 1095   2HG   PRO 138          1HG       PRO 138  -5.514 -16.716   2.456
 1096   1HD   PRO 138          2HD       PRO 138  -7.111 -14.630   1.906
 1097   2HD   PRO 138          1HD       PRO 138  -6.245 -15.502   0.624
 1098    H    ASP 139           H        ASP 139  -9.768 -16.109   2.492
 1099    HA   ASP 139           HA       ASP 139 -11.379 -18.068   3.746
 1100   1HB   ASP 139          2HB       ASP 139 -10.811 -15.729   4.590
 1101   2HB   ASP 139          1HB       ASP 139 -12.025 -15.132   3.472
 1102    H    GLY 140           H        GLY 140 -12.409 -15.434   1.557
 1103   1HA   GLY 140          2HA       GLY 140 -13.653 -16.712  -0.439
 1104   2HA   GLY 140          1HA       GLY 140 -14.801 -16.929   0.869
 1105    H    GLU 141           H        GLU 141 -12.923 -14.010   0.799
 1106    HA   GLU 141           HA       GLU 141 -15.269 -12.565  -0.248
 1107   1HB   GLU 141          2HB       GLU 141 -14.838 -10.754   1.290
 1108   2HB   GLU 141          1HB       GLU 141 -15.025 -12.254   2.185
 1109   1HG   GLU 141          2HG       GLU 141 -12.320 -11.233   1.446
 1110   2HG   GLU 141          1HG       GLU 141 -13.168 -10.632   2.869
 1111    H    MET 142           H        MET 142 -14.759 -10.402  -1.133
 1112    HA   MET 142           HA       MET 142 -12.074 -10.321  -2.351
 1113   1HB   MET 142          2HB       MET 142 -14.674  -9.487  -3.645
 1114   2HB   MET 142          1HB       MET 142 -13.084  -9.468  -4.397
 1115   1HG   MET 142          2HG       MET 142 -12.976 -11.910  -4.208
 1116   2HG   MET 142          1HG       MET 142 -14.583 -11.915  -3.486
 1117   1HE   MET 142          1HE       MET 142 -12.468 -10.679  -6.264
 1118   2HE   MET 142          2HE       MET 142 -13.694  -9.643  -6.993
 1119   3HE   MET 142          3HE       MET 142 -13.289 -11.188  -7.740
 1120    H    LEU 143           H        LEU 143 -11.507  -8.028  -3.205
 1121    HA   LEU 143           HA       LEU 143 -11.720  -6.204  -1.078
 1122   1HB   LEU 143          2HB       LEU 143 -10.172  -6.360  -3.283
 1123   2HB   LEU 143          1HB       LEU 143 -11.308  -5.137  -3.816
 1124    HG   LEU 143           HG       LEU 143  -9.399  -4.032  -2.908
 1125   1HD1  LEU 143          1HD1      LEU 143 -11.338  -3.806  -0.662
 1126   2HD1  LEU 143          2HD1      LEU 143 -11.793  -3.290  -2.284
 1127   3HD1  LEU 143          3HD1      LEU 143 -10.411  -2.548  -1.477
 1128   1HD2  LEU 143          1HD2      LEU 143  -8.889  -6.144  -1.441
 1129   2HD2  LEU 143          2HD2      LEU 143  -9.762  -5.228  -0.211
 1130   3HD2  LEU 143          3HD2      LEU 143  -8.317  -4.548  -0.959
 1131    H    ARG 144           H        ARG 144 -13.741  -6.946  -3.764
 1132    HA   ARG 144           HA       ARG 144 -15.300  -4.543  -3.709
 1133   1HB   ARG 144          2HB       ARG 144 -15.172  -5.803  -5.764
 1134   2HB   ARG 144          1HB       ARG 144 -15.781  -7.248  -4.968
 1135   1HG   ARG 144          2HG       ARG 144 -17.445  -6.064  -6.396
 1136   2HG   ARG 144          1HG       ARG 144 -17.949  -6.288  -4.720
 1137   1HD   ARG 144          2HD       ARG 144 -17.459  -4.012  -4.194
 1138   2HD   ARG 144          1HD       ARG 144 -16.685  -3.756  -5.754
 1139    HE   ARG 144           HE       ARG 144 -19.434  -3.498  -5.184
 1140   1HH1  ARG 144          1HH1      ARG 144 -17.281  -4.697  -7.650
 1141   2HH1  ARG 144          2HH1      ARG 144 -18.425  -4.478  -8.932
 1142   1HH2  ARG 144          1HH2      ARG 144 -20.941  -3.208  -6.868
 1143   2HH2  ARG 144          2HH2      ARG 144 -20.502  -3.632  -8.488
 1144    H    GLN 145           H        GLN 145 -15.809  -7.890  -2.611
 1145    HA   GLN 145           HA       GLN 145 -18.337  -7.471  -1.459
 1146   1HB   GLN 145          2HB       GLN 145 -17.532  -9.706  -1.895
 1147   2HB   GLN 145          1HB       GLN 145 -16.172  -9.479  -0.806
 1148   1HG   GLN 145          2HG       GLN 145 -18.945  -9.236   0.254
 1149   2HG   GLN 145          1HG       GLN 145 -18.277 -10.834  -0.067
 1150   1HE2  GLN 145          1HE2      GLN 145 -15.788  -8.768   0.721
 1151   2HE2  GLN 145          2HE2      GLN 145 -15.643  -9.152   2.394
 1152    H    ILE 146           H        ILE 146 -15.077  -7.071  -0.218
 1153    HA   ILE 146           HA       ILE 146 -15.794  -6.585   2.482
 1154    HB   ILE 146           HB       ILE 146 -13.322  -5.731   0.966
 1155   1HG1  ILE 146          2HG1      ILE 146 -13.792  -8.087   2.810
 1156   2HG1  ILE 146          1HG1      ILE 146 -13.693  -8.181   1.055
 1157   1HG2  ILE 146          1HG2      ILE 146 -12.354  -5.046   2.931
 1158   2HG2  ILE 146          2HG2      ILE 146 -13.406  -6.054   3.928
 1159   3HG2  ILE 146          3HG2      ILE 146 -14.029  -4.568   3.211
 1160   1HD1  ILE 146          1HD1      ILE 146 -11.595  -8.198   3.006
 1161   2HD1  ILE 146          2HD1      ILE 146 -11.364  -6.874   1.865
 1162   3HD1  ILE 146          3HD1      ILE 146 -11.521  -8.529   1.276
 1163    H    LEU 147           H        LEU 147 -14.721  -4.335  -0.091
 1164    HA   LEU 147           HA       LEU 147 -15.319  -2.005   1.348
 1165   1HB   LEU 147          2HB       LEU 147 -14.842  -2.640  -1.516
 1166   2HB   LEU 147          1HB       LEU 147 -15.508  -1.070  -1.110
 1167    HG   LEU 147           HG       LEU 147 -12.912  -2.191  -0.053
 1168   1HD1  LEU 147          1HD1      LEU 147 -13.396  -1.161  -2.549
 1169   2HD1  LEU 147          2HD1      LEU 147 -11.833  -1.187  -1.730
 1170   3HD1  LEU 147          3HD1      LEU 147 -12.852   0.250  -1.643
 1171   1HD2  LEU 147          1HD2      LEU 147 -13.061   0.579   0.321
 1172   2HD2  LEU 147          2HD2      LEU 147 -13.117  -0.676   1.557
 1173   3HD2  LEU 147          3HD2      LEU 147 -14.614  -0.059   0.858
 1174    H    HIS 148           H        HIS 148 -17.399  -4.209  -0.252
 1175    HA   HIS 148           HA       HIS 148 -19.534  -2.508  -0.929
 1176   1HB   HIS 148          2HB       HIS 148 -19.366  -4.876  -1.651
 1177   2HB   HIS 148          1HB       HIS 148 -19.645  -5.388   0.010
 1178    HD1  HIS 148           1HD      HIS 148 -22.072  -4.294   0.975
 1179    HD2  HIS 148           2HD      HIS 148 -21.626  -4.941  -3.104
 1180    HE1  HIS 148           1HE      HIS 148 -24.408  -4.371   0.046
 1181    HE2  HIS 148           2HE      HIS 148 -24.114  -4.860  -2.408
 1182    H    THR 149           H        THR 149 -18.261  -3.548   2.039
 1183    HA   THR 149           HA       THR 149 -20.607  -2.556   3.514
 1184    HB   THR 149           HB       THR 149 -18.511  -4.601   4.280
 1185    HG1  THR 149           1HG      THR 149 -20.607  -4.944   2.912
 1186   1HG2  THR 149          1HG2      THR 149 -20.296  -4.934   6.199
 1187   2HG2  THR 149          2HG2      THR 149 -20.526  -3.202   5.949
 1188   3HG2  THR 149          3HG2      THR 149 -18.934  -3.828   6.375
 1189    H    ARG 150           H        ARG 150 -17.485  -1.781   2.624
 1190    HA   ARG 150           HA       ARG 150 -16.826  -0.374   5.102
 1191   1HB   ARG 150          2HB       ARG 150 -15.195  -0.499   2.572
 1192   2HB   ARG 150          1HB       ARG 150 -14.644  -0.060   4.181
 1193   1HG   ARG 150          2HG       ARG 150 -15.584  -2.777   3.313
 1194   2HG   ARG 150          1HG       ARG 150 -13.915  -2.282   3.571
 1195   1HD   ARG 150          2HD       ARG 150 -14.249  -2.041   5.901
 1196   2HD   ARG 150          1HD       ARG 150 -16.001  -2.109   5.731
 1197    HE   ARG 150           HE       ARG 150 -14.833  -4.510   4.807
 1198   1HH1  ARG 150          1HH1      ARG 150 -15.544  -2.775   7.742
 1199   2HH1  ARG 150          2HH1      ARG 150 -15.672  -4.205   8.711
 1200   1HH2  ARG 150          1HH2      ARG 150 -15.001  -6.400   6.072
 1201   2HH2  ARG 150          2HH2      ARG 150 -15.362  -6.267   7.761
 1202    H    ALA 151           H        ALA 151 -17.446   0.291   1.694
 1203    HA   ALA 151           HA       ALA 151 -18.298   2.149   0.673
 1204   1HB   ALA 151          1HB       ALA 151 -19.384   3.741   1.843
 1205   2HB   ALA 151          2HB       ALA 151 -18.050   3.976   2.971
 1206   3HB   ALA 151          3HB       ALA 151 -19.152   2.616   3.183
 1207    H    PHE 152           H        PHE 152 -16.152   1.825  -0.273
 1208    HA   PHE 152           HA       PHE 152 -13.876   3.254   0.484
 1209   1HB   PHE 152          2HB       PHE 152 -13.166   2.844  -1.908
 1210   2HB   PHE 152          1HB       PHE 152 -13.656   1.405  -1.015
 1211    HD1  PHE 152           1HD      PHE 152 -15.071   4.018  -3.235
 1212    HD2  PHE 152           2HD      PHE 152 -15.182  -0.033  -1.978
 1213    HE1  PHE 152           1HE      PHE 152 -16.746   3.536  -4.975
 1214    HE2  PHE 152           2HE      PHE 152 -16.856  -0.536  -3.714
 1215    HZ   PHE 152           HZ       PHE 152 -17.650   1.208  -5.194
 1216    H    ASP 153           H        ASP 153 -16.579   4.489  -0.253
 1217    HA   ASP 153           HA       ASP 153 -16.250   6.469  -2.182
 1218   1HB   ASP 153          2HB       ASP 153 -17.947   6.575   0.323
 1219   2HB   ASP 153          1HB       ASP 153 -18.105   7.657  -1.059
 1220    H    LYS 154           H        LYS 154 -14.846   6.155   0.885
 1221    HA   LYS 154           HA       LYS 154 -14.434   8.884   1.531
 1222   1HB   LYS 154          2HB       LYS 154 -12.849   6.445   2.359
 1223   2HB   LYS 154          1HB       LYS 154 -12.786   8.023   3.134
 1224   1HG   LYS 154          2HG       LYS 154 -15.158   7.798   3.741
 1225   2HG   LYS 154          1HG       LYS 154 -15.176   6.194   3.008
 1226   1HD   LYS 154          2HD       LYS 154 -13.426   7.046   5.317
 1227   2HD   LYS 154          1HD       LYS 154 -14.903   6.088   5.447
 1228   1HE   LYS 154          2HE       LYS 154 -13.889   4.330   4.091
 1229   2HE   LYS 154          1HE       LYS 154 -12.421   5.293   3.923
 1230   1HZ   LYS 154          1HZ       LYS 154 -13.499   4.356   6.525
 1231   2HZ   LYS 154          2HZ       LYS 154 -12.007   5.102   6.249
 1232   3HZ   LYS 154          3HZ       LYS 154 -12.295   3.547   5.653
 1233    H    LEU 155           H        LEU 155 -11.593   8.711   2.083
 1234    HA   LEU 155           HA       LEU 155  -9.674   9.519   1.154
 1235   1HB   LEU 155          2HB       LEU 155 -10.221   7.540  -1.044
 1236   2HB   LEU 155          1HB       LEU 155  -8.668   8.159  -0.535
 1237    HG   LEU 155           HG       LEU 155  -9.069   6.932   1.674
 1238   1HD1  LEU 155          1HD1      LEU 155 -11.087   6.062   1.976
 1239   2HD1  LEU 155          2HD1      LEU 155 -10.648   4.852   0.772
 1240   3HD1  LEU 155          3HD1      LEU 155 -11.522   6.303   0.284
 1241   1HD2  LEU 155          1HD2      LEU 155  -7.597   6.257  -0.279
 1242   2HD2  LEU 155          2HD2      LEU 155  -8.900   5.163  -0.740
 1243   3HD2  LEU 155          3HD2      LEU 155  -8.103   4.974   0.819
 1244    H    ASN 156           H        ASN 156 -10.982  11.541   0.620
 1245    HA   ASN 156           HA       ASN 156 -11.893  11.974  -2.023
 1246   1HB   ASN 156          2HB       ASN 156 -12.669  13.418  -0.269
 1247   2HB   ASN 156          1HB       ASN 156 -11.026  13.897   0.136
 1248   1HD2  ASN 156          1HD2      ASN 156 -10.477  15.806  -0.563
 1249   2HD2  ASN 156          2HD2      ASN 156 -11.081  16.591  -1.972
 1250    H    LYS 157           H        LYS 157 -10.789  12.359  -3.828
 1251    HA   LYS 157           HA       LYS 157  -8.093  11.987  -4.106
 1252   1HB   LYS 157          2HB       LYS 157 -10.002  13.587  -5.797
 1253   2HB   LYS 157          1HB       LYS 157  -8.369  13.190  -6.298
 1254   1HG   LYS 157          2HG       LYS 157 -10.528  11.753  -6.922
 1255   2HG   LYS 157          1HG       LYS 157  -8.910  11.073  -6.832
 1256   1HD   LYS 157          2HD       LYS 157  -9.385  10.297  -4.564
 1257   2HD   LYS 157          1HD       LYS 157 -10.986  11.037  -4.637
 1258   1HE   LYS 157          2HE       LYS 157  -9.973   8.808  -6.399
 1259   2HE   LYS 157          1HE       LYS 157 -11.109   8.639  -5.063
 1260   1HZ   LYS 157          1HZ       LYS 157 -11.589   9.458  -7.759
 1261   2HZ   LYS 157          2HZ       LYS 157 -12.218  10.566  -6.644
 1262   3HZ   LYS 157          3HZ       LYS 157 -12.686   8.941  -6.578
 1263    H    TRP 158           H        TRP 158  -6.289  13.206  -4.195
 1264    HA   TRP 158           HA       TRP 158  -5.669  15.216  -2.575
 1265   1HB   TRP 158          2HB       TRP 158  -3.981  14.174  -3.912
 1266   2HB   TRP 158          1HB       TRP 158  -4.696  14.774  -5.398
 1267    HD1  TRP 158           HD       TRP 158  -4.262  17.366  -6.010
 1268    HE1  TRP 158           1HE      TRP 158  -2.406  18.988  -5.274
 1269    HE3  TRP 158           3HE      TRP 158  -2.485  14.784  -1.974
 1270    HZ2  TRP 158           2HZ      TRP 158  -0.440  19.146  -3.256
 1271    HZ3  TRP 158           3HZ      TRP 158  -0.608  15.735  -0.701
 1272    HH2  TRP 158           HH       TRP 158   0.394  17.870  -1.330
  Start of MODEL   20
    1   1H    THR   1          1HT       THR   1   1.708 -14.290  -9.758
    2   2H    THR   1          2HT       THR   1   2.395 -12.758  -9.960
    3   3H    THR   1          3HT       THR   1   1.030 -13.197 -10.859
    4    HA   THR   1           HA       THR   1  -0.392 -13.068  -9.056
    5    HB   THR   1           HB       THR   1   2.091 -12.994  -7.324
    6    HG1  THR   1           1HG      THR   1   1.389 -15.093  -6.722
    7   1HG2  THR   1          1HG2      THR   1   0.670 -12.080  -5.847
    8   2HG2  THR   1          2HG2      THR   1   0.119 -13.747  -5.666
    9   3HG2  THR   1          3HG2      THR   1  -0.762 -12.635  -6.715
   10    H    VAL   2           H        VAL   2  -1.059 -11.164  -7.821
   11    HA   VAL   2           HA       VAL   2   0.264  -8.748  -8.836
   12    HB   VAL   2           HB       VAL   2  -2.534  -9.157  -7.774
   13   1HG1  VAL   2          1HG1      VAL   2  -1.731  -6.964  -7.112
   14   2HG1  VAL   2          2HG1      VAL   2  -2.928  -6.813  -8.396
   15   3HG1  VAL   2          3HG1      VAL   2  -1.212  -6.633  -8.764
   16   1HG2  VAL   2          1HG2      VAL   2  -2.790  -8.128 -10.256
   17   2HG2  VAL   2          2HG2      VAL   2  -2.801  -9.855  -9.895
   18   3HG2  VAL   2          3HG2      VAL   2  -1.317  -9.078 -10.448
   19    H    ALA   3           H        ALA   3   0.840  -7.063  -7.509
   20    HA   ALA   3           HA       ALA   3   0.941  -7.692  -4.639
   21   1HB   ALA   3          1HB       ALA   3   3.135  -7.357  -5.042
   22   2HB   ALA   3          2HB       ALA   3   2.695  -5.655  -4.909
   23   3HB   ALA   3          3HB       ALA   3   2.832  -6.411  -6.496
   24    H    TYR   4           H        TYR   4  -0.899  -6.843  -3.849
   25    HA   TYR   4           HA       TYR   4  -1.842  -4.219  -4.646
   26   1HB   TYR   4          2HB       TYR   4  -2.889  -6.030  -2.471
   27   2HB   TYR   4          1HB       TYR   4  -3.732  -4.693  -3.243
   28    HD1  TYR   4           1HD      TYR   4  -2.259  -8.039  -3.954
   29    HD2  TYR   4           2HD      TYR   4  -5.072  -5.070  -5.121
   30    HE1  TYR   4           1HE      TYR   4  -3.189  -9.586  -5.621
   31    HE2  TYR   4           2HE      TYR   4  -6.003  -6.611  -6.789
   32    HH   TYR   4           HH       TYR   4  -4.512  -9.249  -7.905
   33    H    ILE   5           H        ILE   5  -0.252  -2.785  -3.903
   34    HA   ILE   5           HA       ILE   5   0.200  -2.754  -0.988
   35    HB   ILE   5           HB       ILE   5   1.982  -1.310  -2.907
   36   1HG1  ILE   5          2HG1      ILE   5   2.192  -4.253  -2.220
   37   2HG1  ILE   5          1HG1      ILE   5   1.743  -3.603  -3.797
   38   1HG2  ILE   5          1HG2      ILE   5   3.659  -1.926  -1.156
   39   2HG2  ILE   5          2HG2      ILE   5   2.333  -2.607  -0.212
   40   3HG2  ILE   5          3HG2      ILE   5   2.353  -0.884  -0.588
   41   1HD1  ILE   5          1HD1      ILE   5   4.149  -4.390  -3.439
   42   2HD1  ILE   5          2HD1      ILE   5   4.355  -2.900  -2.516
   43   3HD1  ILE   5          3HD1      ILE   5   3.893  -2.827  -4.217
   44    H    ALA   6           H        ALA   6   0.649  -0.604  -0.046
   45    HA   ALA   6           HA       ALA   6  -0.966   1.513  -1.325
   46   1HB   ALA   6          1HB       ALA   6  -2.043   1.993   0.620
   47   2HB   ALA   6          2HB       ALA   6  -0.684   1.494   1.627
   48   3HB   ALA   6          3HB       ALA   6  -1.740   0.279   0.905
   49    H    ILE   7           H        ILE   7  -0.226   3.675  -1.066
   50    HA   ILE   7           HA       ILE   7   2.487   3.964   0.039
   51    HB   ILE   7           HB       ILE   7   1.580   5.159  -2.584
   52   1HG1  ILE   7          2HG1      ILE   7   3.557   2.923  -2.062
   53   2HG1  ILE   7          1HG1      ILE   7   1.933   2.710  -2.712
   54   1HG2  ILE   7          1HG2      ILE   7   3.655   5.886  -0.799
   55   2HG2  ILE   7          2HG2      ILE   7   3.300   6.544  -2.397
   56   3HG2  ILE   7          3HG2      ILE   7   4.401   5.174  -2.231
   57   1HD1  ILE   7          1HD1      ILE   7   3.052   4.569  -4.403
   58   2HD1  ILE   7          2HD1      ILE   7   2.886   2.841  -4.713
   59   3HD1  ILE   7          3HD1      ILE   7   4.389   3.476  -4.046
   60    H    GLY   8           H        GLY   8   3.048   6.059   0.776
   61   1HA   GLY   8          2HA       GLY   8   0.957   8.103   0.782
   62   2HA   GLY   8          1HA       GLY   8   1.465   7.474   2.341
   63    H    SER   9           H        SER   9   1.719  10.195   1.587
   64    HA   SER   9           HA       SER   9   4.461  10.629   2.205
   65   1HB   SER   9          2HB       SER   9   4.973  11.895   0.056
   66   2HB   SER   9          1HB       SER   9   4.930  10.141  -0.077
   67    HG   SER   9           HG       SER   9   3.761  11.253  -1.750
   68    H    ASN  10           H        ASN  10   4.676  12.550   3.211
   69    HA   ASN  10           HA       ASN  10   3.096  14.829   2.437
   70   1HB   ASN  10          2HB       ASN  10   2.219  15.137   4.809
   71   2HB   ASN  10          1HB       ASN  10   1.418  13.930   3.814
   72   1HD2  ASN  10          1HD2      ASN  10   0.669  12.651   5.418
   73   2HD2  ASN  10          2HD2      ASN  10   1.688  11.768   6.505
   74    H    LEU  11           H        LEU  11   5.490  13.413   4.590
   75    HA   LEU  11           HA       LEU  11   6.443  16.082   5.324
   76   1HB   LEU  11          2HB       LEU  11   6.770  13.365   6.454
   77   2HB   LEU  11          1HB       LEU  11   8.127  14.460   6.640
   78    HG   LEU  11           HG       LEU  11   6.662  14.488   8.604
   79   1HD1  LEU  11          1HD1      LEU  11   6.507  17.069   7.057
   80   2HD1  LEU  11          2HD1      LEU  11   7.923  16.503   7.948
   81   3HD1  LEU  11          3HD1      LEU  11   6.430  16.879   8.808
   82   1HD2  LEU  11          1HD2      LEU  11   4.422  15.708   8.251
   83   2HD2  LEU  11          2HD2      LEU  11   4.521  13.994   7.850
   84   3HD2  LEU  11          3HD2      LEU  11   4.585  15.204   6.569
   85    H    ALA  12           H        ALA  12   6.859  15.639   2.684
   86    HA   ALA  12           HA       ALA  12   9.647  16.023   2.446
   87   1HB   ALA  12          1HB       ALA  12  10.309  13.887   2.364
   88   2HB   ALA  12          2HB       ALA  12   9.621  13.887   0.741
   89   3HB   ALA  12          3HB       ALA  12   8.671  13.291   2.103
   90    H    SER  13           H        SER  13   7.579  14.318   0.160
   91    HA   SER  13           HA       SER  13   6.790  16.658  -1.275
   92   1HB   SER  13          2HB       SER  13   8.017  16.096  -3.372
   93   2HB   SER  13          1HB       SER  13   9.093  16.580  -2.061
   94    HG   SER  13           HG       SER  13   9.213  14.195  -1.663
   95    HA   PRO  14           HA       PRO  14   3.985  12.897  -1.215
   96   1HB   PRO  14          2HB       PRO  14   2.294  15.218  -2.013
   97   2HB   PRO  14          1HB       PRO  14   1.908  13.856  -0.962
   98   1HG   PRO  14          2HG       PRO  14   2.567  16.269   0.027
   99   2HG   PRO  14          1HG       PRO  14   3.003  14.760   0.846
  100   1HD   PRO  14          2HD       PRO  14   4.721  16.684  -0.568
  101   2HD   PRO  14          1HD       PRO  14   5.156  15.453   0.630
  102    H    LEU  15           H        LEU  15   4.466  15.410  -3.669
  103    HA   LEU  15           HA       LEU  15   3.194  13.827  -5.722
  104   1HB   LEU  15          2HB       LEU  15   3.004  16.247  -5.777
  105   2HB   LEU  15          1HB       LEU  15   4.748  16.405  -5.875
  106    HG   LEU  15           HG       LEU  15   4.710  15.297  -8.084
  107   1HD1  LEU  15          1HD1      LEU  15   1.743  15.614  -8.150
  108   2HD1  LEU  15          2HD1      LEU  15   2.457  14.143  -7.492
  109   3HD1  LEU  15          3HD1      LEU  15   2.789  14.614  -9.158
  110   1HD2  LEU  15          1HD2      LEU  15   3.674  17.163  -9.310
  111   2HD2  LEU  15          2HD2      LEU  15   4.683  17.714  -7.973
  112   3HD2  LEU  15          3HD2      LEU  15   2.926  17.713  -7.810
  113    H    GLU  16           H        GLU  16   6.503  14.671  -4.807
  114    HA   GLU  16           HA       GLU  16   7.679  13.402  -7.092
  115   1HB   GLU  16          2HB       GLU  16   8.800  14.486  -4.522
  116   2HB   GLU  16          1HB       GLU  16   9.805  13.818  -5.805
  117   1HG   GLU  16          2HG       GLU  16   8.931  15.518  -7.335
  118   2HG   GLU  16          1HG       GLU  16   7.970  16.194  -6.023
  119    H    GLN  17           H        GLN  17   7.051  12.509  -3.763
  120    HA   GLN  17           HA       GLN  17   8.694  10.240  -3.634
  121   1HB   GLN  17          2HB       GLN  17   6.115  10.766  -2.151
  122   2HB   GLN  17          1HB       GLN  17   7.371   9.625  -1.683
  123   1HG   GLN  17          2HG       GLN  17   7.746  12.605  -1.888
  124   2HG   GLN  17          1HG       GLN  17   7.425  11.726  -0.392
  125   1HE2  GLN  17          1HE2      GLN  17   9.145  11.271   0.765
  126   2HE2  GLN  17          2HE2      GLN  17  10.754  11.067   0.172
  127    H    VAL  18           H        VAL  18   5.360  10.657  -4.715
  128    HA   VAL  18           HA       VAL  18   4.718   7.921  -4.932
  129    HB   VAL  18           HB       VAL  18   3.597  10.269  -6.464
  130   1HG1  VAL  18          1HG1      VAL  18   3.135   7.435  -6.731
  131   2HG1  VAL  18          2HG1      VAL  18   2.518   8.770  -7.705
  132   3HG1  VAL  18          3HG1      VAL  18   1.662   8.274  -6.244
  133   1HG2  VAL  18          1HG2      VAL  18   2.243  10.691  -4.722
  134   2HG2  VAL  18          2HG2      VAL  18   3.456   9.814  -3.789
  135   3HG2  VAL  18          3HG2      VAL  18   2.010   8.982  -4.362
  136    H    ASN  19           H        ASN  19   6.144  10.196  -7.248
  137    HA   ASN  19           HA       ASN  19   6.036   8.605  -9.528
  138   1HB   ASN  19          2HB       ASN  19   8.111  10.642  -8.706
  139   2HB   ASN  19          1HB       ASN  19   8.005   9.934 -10.314
  140   1HD2  ASN  19          1HD2      ASN  19   7.298  12.591  -8.643
  141   2HD2  ASN  19          2HD2      ASN  19   5.913  13.156  -9.507
  142    H    ALA  20           H        ALA  20   8.591   8.786  -7.060
  143    HA   ALA  20           HA       ALA  20  10.105   6.680  -8.335
  144   1HB   ALA  20          1HB       ALA  20  11.141   7.092  -5.776
  145   2HB   ALA  20          2HB       ALA  20  10.585   8.675  -6.317
  146   3HB   ALA  20          3HB       ALA  20  11.738   7.766  -7.294
  147    H    ALA  21           H        ALA  21   7.692   6.927  -5.871
  148    HA   ALA  21           HA       ALA  21   8.274   4.582  -4.420
  149   1HB   ALA  21          1HB       ALA  21   5.492   5.625  -4.830
  150   2HB   ALA  21          2HB       ALA  21   6.660   6.470  -3.815
  151   3HB   ALA  21          3HB       ALA  21   6.175   4.823  -3.416
  152    H    LEU  22           H        LEU  22   6.146   5.143  -7.213
  153    HA   LEU  22           HA       LEU  22   5.503   2.329  -7.378
  154   1HB   LEU  22          2HB       LEU  22   4.168   3.001  -9.364
  155   2HB   LEU  22          1HB       LEU  22   3.727   3.827  -7.882
  156    HG   LEU  22           HG       LEU  22   5.226   5.745  -8.740
  157   1HD1  LEU  22          1HD1      LEU  22   4.622   5.124 -11.490
  158   2HD1  LEU  22          2HD1      LEU  22   5.707   3.924 -10.788
  159   3HD1  LEU  22          3HD1      LEU  22   6.143   5.632 -10.756
  160   1HD2  LEU  22          1HD2      LEU  22   3.194   6.157 -10.520
  161   2HD2  LEU  22          2HD2      LEU  22   3.122   6.497  -8.791
  162   3HD2  LEU  22          3HD2      LEU  22   2.492   4.973  -9.415
  163    H    LYS  23           H        LYS  23   7.645   4.584  -8.976
  164    HA   LYS  23           HA       LYS  23   8.222   2.902 -11.205
  165   1HB   LYS  23          2HB       LYS  23   8.582   5.272 -11.381
  166   2HB   LYS  23          1HB       LYS  23   9.713   5.249 -10.033
  167   1HG   LYS  23          2HG       LYS  23  10.884   5.440 -12.150
  168   2HG   LYS  23          1HG       LYS  23  11.269   3.909 -11.360
  169   1HD   LYS  23          2HD       LYS  23   9.662   2.761 -12.809
  170   2HD   LYS  23          1HD       LYS  23   9.273   4.293 -13.595
  171   1HE   LYS  23          2HE       LYS  23  11.587   4.488 -14.361
  172   2HE   LYS  23          1HE       LYS  23  11.982   2.966 -13.565
  173   1HZ   LYS  23          1HZ       LYS  23   9.952   3.230 -15.715
  174   2HZ   LYS  23          2HZ       LYS  23  10.547   1.796 -15.043
  175   3HZ   LYS  23          3HZ       LYS  23  11.558   2.769 -15.985
  176    H    ALA  24           H        ALA  24   9.659   3.339  -8.024
  177    HA   ALA  24           HA       ALA  24  12.048   1.947  -8.418
  178   1HB   ALA  24          1HB       ALA  24  10.562   1.740  -5.831
  179   2HB   ALA  24          2HB       ALA  24  11.209   3.291  -6.364
  180   3HB   ALA  24          3HB       ALA  24  12.293   1.921  -6.117
  181    H    LEU  25           H        LEU  25   8.784   0.811  -7.963
  182    HA   LEU  25           HA       LEU  25   9.440  -1.886  -7.331
  183   1HB   LEU  25          2HB       LEU  25   6.917  -0.726  -8.523
  184   2HB   LEU  25          1HB       LEU  25   7.079  -2.355  -7.896
  185    HG   LEU  25           HG       LEU  25   7.326   0.184  -6.279
  186   1HD1  LEU  25          1HD1      LEU  25   5.044  -1.059  -7.201
  187   2HD1  LEU  25          2HD1      LEU  25   5.150   0.043  -5.828
  188   3HD1  LEU  25          3HD1      LEU  25   5.236  -1.701  -5.570
  189   1HD2  LEU  25          1HD2      LEU  25   8.444  -1.073  -4.822
  190   2HD2  LEU  25          2HD2      LEU  25   8.153  -2.538  -5.757
  191   3HD2  LEU  25          3HD2      LEU  25   6.954  -1.987  -4.588
  192    H    GLY  26           H        GLY  26   9.149  -0.075 -10.285
  193   1HA   GLY  26          2HA       GLY  26   8.837  -2.257 -12.071
  194   2HA   GLY  26          1HA       GLY  26   9.455  -0.663 -12.489
  195    H    ASP  27           H        ASP  27  11.547  -0.883 -10.407
  196    HA   ASP  27           HA       ASP  27  13.514  -2.251 -12.006
  197   1HB   ASP  27          2HB       ASP  27  13.643  -0.511  -9.542
  198   2HB   ASP  27          1HB       ASP  27  15.047  -1.239 -10.286
  199    H    ILE  28           H        ILE  28  11.717  -2.693  -9.081
  200    HA   ILE  28           HA       ILE  28  13.324  -4.441  -7.643
  201    HB   ILE  28           HB       ILE  28  10.312  -4.408  -7.890
  202   1HG1  ILE  28          2HG1      ILE  28  11.266  -2.316  -7.046
  203   2HG1  ILE  28          1HG1      ILE  28  10.401  -3.165  -5.770
  204   1HG2  ILE  28          1HG2      ILE  28  11.210  -6.572  -7.048
  205   2HG2  ILE  28          2HG2      ILE  28  10.197  -5.711  -5.889
  206   3HG2  ILE  28          3HG2      ILE  28  11.951  -5.689  -5.713
  207   1HD1  ILE  28          1HD1      ILE  28  12.916  -2.120  -5.574
  208   2HD1  ILE  28          2HD1      ILE  28  13.236  -3.827  -5.879
  209   3HD1  ILE  28          3HD1      ILE  28  12.228  -3.350  -4.512
  210    HA   PRO  29           HA       PRO  29  13.752  -8.040 -10.172
  211   1HB   PRO  29          2HB       PRO  29  13.864  -9.914  -8.135
  212   2HB   PRO  29          1HB       PRO  29  15.235  -8.966  -8.720
  213   1HG   PRO  29          2HG       PRO  29  13.482  -8.496  -6.346
  214   2HG   PRO  29          1HG       PRO  29  15.238  -8.298  -6.502
  215   1HD   PRO  29          2HD       PRO  29  13.602  -6.184  -6.557
  216   2HD   PRO  29          1HD       PRO  29  15.032  -6.264  -7.608
  217    H    GLU  30           H        GLU  30  12.332  -9.241 -11.219
  218    HA   GLU  30           HA       GLU  30  10.454 -10.380 -11.790
  219   1HB   GLU  30          2HB       GLU  30  10.296 -10.965  -8.830
  220   2HB   GLU  30          1HB       GLU  30   9.421 -11.817 -10.094
  221   1HG   GLU  30          2HG       GLU  30  12.413 -11.737  -9.777
  222   2HG   GLU  30          1HG       GLU  30  11.356 -13.072  -9.317
  223    H    SER  31           H        SER  31  10.339  -7.536 -10.357
  224    HA   SER  31           HA       SER  31   7.428  -7.552  -9.969
  225   1HB   SER  31          2HB       SER  31   9.461  -5.520  -9.031
  226   2HB   SER  31          1HB       SER  31   7.725  -5.460  -8.719
  227    HG   SER  31           HG       SER  31   8.026  -6.778  -7.124
  228    H    HIS  32           H        HIS  32   6.094  -6.226 -11.096
  229    HA   HIS  32           HA       HIS  32   7.152  -4.176 -12.852
  230   1HB   HIS  32          2HB       HIS  32   7.442  -6.326 -14.104
  231   2HB   HIS  32          1HB       HIS  32   5.701  -6.539 -14.048
  232    HD1  HIS  32           1HD      HIS  32   6.350  -6.542 -16.770
  233    HD2  HIS  32           2HD      HIS  32   6.266  -2.906 -14.760
  234    HE1  HIS  32           1HE      HIS  32   6.113  -4.791 -18.558
  235    HE2  HIS  32           2HE      HIS  32   6.014  -2.601 -17.317
  236    H    ILE  33           H        ILE  33   5.776  -2.600 -12.135
  237    HA   ILE  33           HA       ILE  33   3.131  -3.023 -11.317
  238    HB   ILE  33           HB       ILE  33   4.652  -0.564 -12.102
  239   1HG1  ILE  33          2HG1      ILE  33   3.289  -1.546  -9.588
  240   2HG1  ILE  33          1HG1      ILE  33   5.020  -1.497  -9.897
  241   1HG2  ILE  33          1HG2      ILE  33   2.727   0.835 -11.642
  242   2HG2  ILE  33          2HG2      ILE  33   1.720  -0.589 -11.379
  243   3HG2  ILE  33          3HG2      ILE  33   2.370  -0.251 -12.984
  244   1HD1  ILE  33          1HD1      ILE  33   3.275   0.550  -8.867
  245   2HD1  ILE  33          2HD1      ILE  33   4.175   1.118 -10.272
  246   3HD1  ILE  33          3HD1      ILE  33   5.036   0.467  -8.878
  247    H    LEU  34           H        LEU  34   1.235  -3.114 -12.311
  248    HA   LEU  34           HA       LEU  34   1.226  -3.009 -15.241
  249   1HB   LEU  34          2HB       LEU  34   0.499  -5.112 -14.287
  250   2HB   LEU  34          1HB       LEU  34  -0.678  -4.289 -13.280
  251    HG   LEU  34           HG       LEU  34  -1.929  -3.624 -15.297
  252   1HD1  LEU  34          1HD1      LEU  34  -1.313  -4.139 -17.442
  253   2HD1  LEU  34          2HD1      LEU  34  -0.305  -5.498 -16.946
  254   3HD1  LEU  34          3HD1      LEU  34   0.265  -3.845 -16.714
  255   1HD2  LEU  34          1HD2      LEU  34  -1.708  -6.503 -15.758
  256   2HD2  LEU  34          2HD2      LEU  34  -3.091  -5.536 -15.245
  257   3HD2  LEU  34          3HD2      LEU  34  -1.892  -6.058 -14.061
  258    H    THR  35           H        THR  35  -1.249  -2.385 -12.735
  259    HA   THR  35           HA       THR  35  -2.086  -0.037 -14.306
  260    HB   THR  35           HB       THR  35  -3.764  -1.357 -12.190
  261    HG1  THR  35           1HG      THR  35  -4.185  -2.969 -13.461
  262   1HG2  THR  35          1HG2      THR  35  -4.238   0.549 -14.388
  263   2HG2  THR  35          2HG2      THR  35  -5.006   0.418 -12.805
  264   3HG2  THR  35          3HG2      THR  35  -5.477  -0.673 -14.107
  265    H    VAL  36           H        VAL  36  -3.168   1.680 -12.891
  266    HA   VAL  36           HA       VAL  36  -1.974   1.977 -10.247
  267    HB   VAL  36           HB       VAL  36  -1.546   4.013 -12.442
  268   1HG1  VAL  36          1HG1      VAL  36  -0.333   5.308 -10.777
  269   2HG1  VAL  36          2HG1      VAL  36  -0.725   4.109  -9.543
  270   3HG1  VAL  36          3HG1      VAL  36  -2.009   5.065 -10.284
  271   1HG2  VAL  36          1HG2      VAL  36   0.181   1.943 -11.208
  272   2HG2  VAL  36          2HG2      VAL  36   0.912   3.504 -11.582
  273   3HG2  VAL  36          3HG2      VAL  36   0.152   2.557 -12.862
  274    H    SER  37           H        SER  37  -3.191   3.239  -8.874
  275    HA   SER  37           HA       SER  37  -5.864   3.861  -9.743
  276   1HB   SER  37          2HB       SER  37  -5.404   2.888  -7.501
  277   2HB   SER  37          1HB       SER  37  -4.564   4.369  -7.054
  278    HG   SER  37           HG       SER  37  -7.305   3.946  -7.519
  279    H    SER  38           H        SER  38  -5.752   6.190  -7.653
  280    HA   SER  38           HA       SER  38  -4.491   8.204  -9.373
  281   1HB   SER  38          2HB       SER  38  -7.315   8.376  -8.292
  282   2HB   SER  38          1HB       SER  38  -6.466   9.675  -9.130
  283    HG   SER  38           HG       SER  38  -7.532   8.719 -10.738
  284    H    PHE  39           H        PHE  39  -4.954  10.478  -8.074
  285    HA   PHE  39           HA       PHE  39  -3.639  10.019  -5.515
  286   1HB   PHE  39          2HB       PHE  39  -3.293  12.526  -5.588
  287   2HB   PHE  39          1HB       PHE  39  -2.502  11.609  -6.862
  288    HD1  PHE  39           1HD      PHE  39  -5.486  13.696  -6.133
  289    HD2  PHE  39           2HD      PHE  39  -2.879  12.117  -9.101
  290    HE1  PHE  39           1HE      PHE  39  -6.544  15.136  -7.822
  291    HE2  PHE  39           2HE      PHE  39  -3.931  13.554 -10.796
  292    HZ   PHE  39           HZ       PHE  39  -5.768  15.067 -10.159
  293    H    TYR  40           H        TYR  40  -4.624  10.249  -3.591
  294    HA   TYR  40           HA       TYR  40  -7.182  11.685  -3.554
  295   1HB   TYR  40          2HB       TYR  40  -6.650   9.044  -2.182
  296   2HB   TYR  40          1HB       TYR  40  -8.125   9.992  -2.056
  297    HD1  TYR  40           1HD      TYR  40  -5.998   8.209  -4.575
  298    HD2  TYR  40           2HD      TYR  40  -9.870   9.635  -3.514
  299    HE1  TYR  40           1HE      TYR  40  -6.954   7.061  -6.525
  300    HE2  TYR  40           2HE      TYR  40 -10.830   8.494  -5.471
  301    HH   TYR  40           HH       TYR  40  -9.784   6.190  -6.949
  302    H    ARG  41           H        ARG  41  -7.848  12.561  -1.583
  303    HA   ARG  41           HA       ARG  41  -5.634  13.314   0.175
  304   1HB   ARG  41          2HB       ARG  41  -7.166  15.003  -0.964
  305   2HB   ARG  41          1HB       ARG  41  -8.431  14.444   0.116
  306   1HG   ARG  41          2HG       ARG  41  -7.087  15.139   2.044
  307   2HG   ARG  41          1HG       ARG  41  -5.827  15.697   0.936
  308   1HD   ARG  41          2HD       ARG  41  -7.243  17.370   0.025
  309   2HD   ARG  41          1HD       ARG  41  -8.660  16.703   0.830
  310    HE   ARG  41           HE       ARG  41  -6.848  18.584   1.903
  311   1HH1  ARG  41          1HH1      ARG  41  -8.698  15.770   2.805
  312   2HH1  ARG  41          2HH1      ARG  41  -8.864  16.253   4.460
  313   1HH2  ARG  41          1HH2      ARG  41  -7.071  19.229   4.080
  314   2HH2  ARG  41          2HH2      ARG  41  -7.940  18.216   5.185
  315    H    THR  42           H        THR  42  -5.520  12.645   2.269
  316    HA   THR  42           HA       THR  42  -7.822  11.871   3.775
  317    HB   THR  42           HB       THR  42  -7.767   9.862   2.525
  318    HG1  THR  42           1HG      THR  42  -6.838   8.355   4.176
  319   1HG2  THR  42          1HG2      THR  42  -4.861  10.185   2.631
  320   2HG2  THR  42          2HG2      THR  42  -5.886   9.448   1.400
  321   3HG2  THR  42          3HG2      THR  42  -5.440   8.532   2.841
  322    HA   PRO  43           HA       PRO  43  -5.090  12.760   7.134
  323   1HB   PRO  43          2HB       PRO  43  -6.148  11.218   9.114
  324   2HB   PRO  43          1HB       PRO  43  -6.898  12.715   8.547
  325   1HG   PRO  43          2HG       PRO  43  -7.549   9.880   7.834
  326   2HG   PRO  43          1HG       PRO  43  -8.649  11.224   8.199
  327   1HD   PRO  43          2HD       PRO  43  -8.136  10.440   5.672
  328   2HD   PRO  43          1HD       PRO  43  -8.437  12.138   6.089
  329    HA   PRO  44           HA       PRO  44  -1.871   9.679   6.531
  330   1HB   PRO  44          2HB       PRO  44  -0.956  11.146   8.979
  331   2HB   PRO  44          1HB       PRO  44  -0.023  10.627   7.568
  332   1HG   PRO  44          2HG       PRO  44  -0.782  13.142   7.751
  333   2HG   PRO  44          1HG       PRO  44  -0.927  12.295   6.201
  334   1HD   PRO  44          2HD       PRO  44  -3.047  13.024   8.170
  335   2HD   PRO  44          1HD       PRO  44  -3.122  12.970   6.397
  336    H    LEU  45           H        LEU  45  -3.333  10.289   9.711
  337    HA   LEU  45           HA       LEU  45  -3.869   8.893  11.433
  338   1HB   LEU  45          2HB       LEU  45  -4.971   7.606   9.621
  339   2HB   LEU  45          1HB       LEU  45  -3.485   6.706   9.386
  340    HG   LEU  45           HG       LEU  45  -3.681   5.830  11.696
  341   1HD1  LEU  45          1HD1      LEU  45  -6.154   7.513  11.659
  342   2HD1  LEU  45          2HD1      LEU  45  -4.913   7.375  12.904
  343   3HD1  LEU  45          3HD1      LEU  45  -6.066   6.064  12.660
  344   1HD2  LEU  45          1HD2      LEU  45  -5.787   4.450  11.212
  345   2HD2  LEU  45          2HD2      LEU  45  -4.457   4.360  10.058
  346   3HD2  LEU  45          3HD2      LEU  45  -5.868   5.356   9.701
  347    H    GLY  46           H        GLY  46  -2.049   9.323  12.682
  348   1HA   GLY  46          2HA       GLY  46  -0.509   7.363  13.682
  349   2HA   GLY  46          1HA       GLY  46   0.395   7.827  12.252
  350    HA   PRO  47           HA       PRO  47   1.795  10.793  15.390
  351   1HB   PRO  47          2HB       PRO  47   4.367  10.070  15.425
  352   2HB   PRO  47          1HB       PRO  47   3.117   9.171  16.285
  353   1HG   PRO  47          2HG       PRO  47   4.660   8.397  13.930
  354   2HG   PRO  47          1HG       PRO  47   3.633   7.395  14.969
  355   1HD   PRO  47          2HD       PRO  47   3.005   8.658  12.398
  356   2HD   PRO  47          1HD       PRO  47   2.130   7.379  13.269
  357    H    GLN  48           H        GLN  48   4.113  10.086  12.831
  358    HA   GLN  48           HA       GLN  48   5.755  11.994  12.610
  359   1HB   GLN  48          2HB       GLN  48   5.474  12.223  10.093
  360   2HB   GLN  48          1HB       GLN  48   5.806  10.639  10.756
  361   1HG   GLN  48          2HG       GLN  48   4.211  10.480   8.987
  362   2HG   GLN  48          1HG       GLN  48   3.442  10.053  10.499
  363   1HE2  GLN  48          1HE2      GLN  48   1.400  10.618  10.289
  364   2HE2  GLN  48          2HE2      GLN  48   0.824  12.156   9.751
  365    H    ASP  49           H        ASP  49   2.426  12.857  11.617
  366    HA   ASP  49           HA       ASP  49   2.592  15.420  12.718
  367   1HB   ASP  49          2HB       ASP  49   4.275  15.831  10.958
  368   2HB   ASP  49          1HB       ASP  49   3.080  15.418   9.733
  369    H    GLN  50           H        GLN  50   1.299  13.473  10.149
  370    HA   GLN  50           HA       GLN  50  -0.828  12.973   9.533
  371   1HB   GLN  50          2HB       GLN  50  -1.773  14.812  11.713
  372   2HB   GLN  50          1HB       GLN  50  -2.678  13.530  10.916
  373   1HG   GLN  50          2HG       GLN  50  -0.222  13.060  12.576
  374   2HG   GLN  50          1HG       GLN  50  -1.870  12.968  13.199
  375   1HE2  GLN  50          1HE2      GLN  50   0.626  11.297  11.759
  376   2HE2  GLN  50          2HE2      GLN  50  -0.225   9.868  11.320
  377    HA   PRO  51           HA       PRO  51  -1.449  17.157   7.591
  378   1HB   PRO  51          2HB       PRO  51   0.678  17.612   6.062
  379   2HB   PRO  51          1HB       PRO  51   0.750  17.908   7.804
  380   1HG   PRO  51          2HG       PRO  51   1.982  15.751   6.214
  381   2HG   PRO  51          1HG       PRO  51   2.466  16.398   7.789
  382   1HD   PRO  51          2HD       PRO  51   0.875  14.052   7.198
  383   2HD   PRO  51          1HD       PRO  51   1.461  14.620   8.776
  384    H    ASP  52           H        ASP  52  -2.951  16.752   6.099
  385    HA   ASP  52           HA       ASP  52  -3.684  14.864   4.534
  386   1HB   ASP  52          2HB       ASP  52  -3.221  17.593   3.323
  387   2HB   ASP  52          1HB       ASP  52  -4.384  16.392   2.772
  388    H    TYR  53           H        TYR  53  -2.237  13.317   3.941
  389    HA   TYR  53           HA       TYR  53  -0.007  14.011   2.204
  390   1HB   TYR  53          2HB       TYR  53   0.807  11.807   2.599
  391   2HB   TYR  53          1HB       TYR  53   0.207  12.399   4.143
  392    HD1  TYR  53           1HD      TYR  53  -2.149  11.669   4.847
  393    HD2  TYR  53           2HD      TYR  53   0.044   9.771   1.739
  394    HE1  TYR  53           1HE      TYR  53  -3.567   9.676   5.070
  395    HE2  TYR  53           2HE      TYR  53  -1.366   7.772   1.955
  396    HH   TYR  53           HH       TYR  53  -3.636   7.205   2.775
  397    H    LEU  54           H        LEU  54   0.256  11.769   0.666
  398    HA   LEU  54           HA       LEU  54  -2.194  11.750  -0.970
  399   1HB   LEU  54          2HB       LEU  54  -0.286  13.165  -1.870
  400   2HB   LEU  54          1HB       LEU  54   0.599  11.665  -2.090
  401    HG   LEU  54           HG       LEU  54  -1.425  10.912  -3.486
  402   1HD1  LEU  54          1HD1      LEU  54  -3.111  12.312  -3.781
  403   2HD1  LEU  54          2HD1      LEU  54  -2.017  13.560  -4.376
  404   3HD1  LEU  54          3HD1      LEU  54  -2.346  13.427  -2.649
  405   1HD2  LEU  54          1HD2      LEU  54   0.732  11.353  -4.471
  406   2HD2  LEU  54          2HD2      LEU  54   0.428  13.092  -4.439
  407   3HD2  LEU  54          3HD2      LEU  54  -0.527  12.046  -5.491
  408    H    ASN  55           H        ASN  55  -2.936   9.770  -1.474
  409    HA   ASN  55           HA       ASN  55  -1.073   7.503  -1.262
  410   1HB   ASN  55          2HB       ASN  55  -2.878   6.142  -0.283
  411   2HB   ASN  55          1HB       ASN  55  -2.443   7.504   0.740
  412   1HD2  ASN  55          1HD2      ASN  55  -4.073   8.894  -1.702
  413   2HD2  ASN  55          2HD2      ASN  55  -5.674   8.848  -1.063
  414    H    ALA  56           H        ALA  56  -1.768   5.559  -2.401
  415    HA   ALA  56           HA       ALA  56  -3.870   5.502  -4.264
  416   1HB   ALA  56          1HB       ALA  56  -1.292   5.943  -5.709
  417   2HB   ALA  56          2HB       ALA  56  -2.261   7.324  -5.197
  418   3HB   ALA  56          3HB       ALA  56  -2.947   6.121  -6.290
  419    H    ALA  57           H        ALA  57  -4.220   3.356  -4.294
  420    HA   ALA  57           HA       ALA  57  -2.100   1.482  -3.811
  421   1HB   ALA  57          1HB       ALA  57  -3.869  -0.223  -4.300
  422   2HB   ALA  57          2HB       ALA  57  -4.972   1.111  -4.640
  423   3HB   ALA  57          3HB       ALA  57  -4.285   0.924  -3.027
  424    H    VAL  58           H        VAL  58  -1.374  -0.195  -5.282
  425    HA   VAL  58           HA       VAL  58  -1.952   0.179  -8.109
  426    HB   VAL  58           HB       VAL  58   0.466   0.238  -8.715
  427   1HG1  VAL  58          1HG1      VAL  58   0.721   2.617  -8.413
  428   2HG1  VAL  58          2HG1      VAL  58  -0.451   2.610  -7.095
  429   3HG1  VAL  58          3HG1      VAL  58  -0.973   2.249  -8.742
  430   1HG2  VAL  58          1HG2      VAL  58   1.587   1.446  -6.461
  431   2HG2  VAL  58          2HG2      VAL  58   1.973  -0.142  -7.125
  432   3HG2  VAL  58          3HG2      VAL  58   0.753   0.015  -5.859
  433    H    ALA  59           H        ALA  59  -2.133  -1.739  -9.075
  434    HA   ALA  59           HA       ALA  59  -1.396  -4.139  -7.679
  435   1HB   ALA  59          1HB       ALA  59  -2.207  -5.123  -9.979
  436   2HB   ALA  59          2HB       ALA  59  -2.833  -3.490 -10.203
  437   3HB   ALA  59          3HB       ALA  59  -3.356  -4.452  -8.822
  438    H    LEU  60           H        LEU  60   0.863  -4.119  -7.555
  439    HA   LEU  60           HA       LEU  60   2.535  -3.842  -9.857
  440   1HB   LEU  60          2HB       LEU  60   3.440  -3.289  -7.706
  441   2HB   LEU  60          1HB       LEU  60   3.051  -4.876  -7.072
  442    HG   LEU  60           HG       LEU  60   4.716  -5.834  -8.719
  443   1HD1  LEU  60          1HD1      LEU  60   4.640  -3.341  -9.835
  444   2HD1  LEU  60          2HD1      LEU  60   5.875  -4.566 -10.130
  445   3HD1  LEU  60          3HD1      LEU  60   6.151  -3.309  -8.923
  446   1HD2  LEU  60          1HD2      LEU  60   5.062  -4.717  -6.195
  447   2HD2  LEU  60          2HD2      LEU  60   6.425  -4.119  -7.140
  448   3HD2  LEU  60          3HD2      LEU  60   6.136  -5.854  -7.007
  449    H    GLU  61           H        GLU  61   2.592  -5.313 -11.436
  450    HA   GLU  61           HA       GLU  61   1.802  -8.041 -11.013
  451   1HB   GLU  61          2HB       GLU  61   1.493  -6.714 -13.158
  452   2HB   GLU  61          1HB       GLU  61   3.219  -6.893 -13.422
  453   1HG   GLU  61          2HG       GLU  61   2.996  -9.302 -13.491
  454   2HG   GLU  61          1HG       GLU  61   1.273  -9.171 -13.151
  455    H    THR  62           H        THR  62   3.219  -8.912  -9.512
  456    HA   THR  62           HA       THR  62   5.942  -9.361 -10.515
  457    HB   THR  62           HB       THR  62   6.105  -7.562  -8.915
  458    HG1  THR  62           1HG      THR  62   6.941  -9.684  -7.333
  459   1HG2  THR  62          1HG2      THR  62   5.161  -7.452  -6.868
  460   2HG2  THR  62          2HG2      THR  62   5.200  -9.198  -6.630
  461   3HG2  THR  62          3HG2      THR  62   3.957  -8.475  -7.651
  462    H    SER  63           H        SER  63   7.017 -11.169  -9.715
  463    HA   SER  63           HA       SER  63   5.261 -13.260  -8.599
  464   1HB   SER  63          2HB       SER  63   6.765 -14.890  -9.706
  465   2HB   SER  63          1HB       SER  63   6.020 -13.797 -10.874
  466    HG   SER  63           HG       SER  63   7.942 -13.186 -11.423
  467    H    LEU  64           H        LEU  64   7.427 -11.101  -7.766
  468    HA   LEU  64           HA       LEU  64   9.531 -12.318  -6.424
  469   1HB   LEU  64          2HB       LEU  64   8.978  -9.844  -6.842
  470   2HB   LEU  64          1HB       LEU  64   7.971  -9.944  -5.420
  471    HG   LEU  64           HG       LEU  64  10.974 -10.199  -5.544
  472   1HD1  LEU  64          1HD1      LEU  64  10.837  -8.006  -5.322
  473   2HD1  LEU  64          2HD1      LEU  64  10.236  -8.308  -3.691
  474   3HD1  LEU  64          3HD1      LEU  64   9.101  -8.067  -5.018
  475   1HD2  LEU  64          1HD2      LEU  64  10.395 -11.766  -3.904
  476   2HD2  LEU  64          2HD2      LEU  64   9.072 -10.771  -3.300
  477   3HD2  LEU  64          3HD2      LEU  64  10.743 -10.283  -3.015
  478    H    ALA  65           H        ALA  65   9.656 -13.528  -4.567
  479    HA   ALA  65           HA       ALA  65   7.558 -14.829  -3.419
  480   1HB   ALA  65          1HB       ALA  65   9.958 -13.972  -1.815
  481   2HB   ALA  65          2HB       ALA  65  10.033 -15.229  -3.050
  482   3HB   ALA  65          3HB       ALA  65   8.994 -15.438  -1.640
  483    HA   PRO  66           HA       PRO  66   5.132 -11.798  -1.290
  484   1HB   PRO  66          2HB       PRO  66   4.237 -13.448   0.750
  485   2HB   PRO  66          1HB       PRO  66   3.496 -13.290  -0.840
  486   1HG   PRO  66          2HG       PRO  66   5.382 -15.369   0.171
  487   2HG   PRO  66          1HG       PRO  66   3.968 -15.559  -0.884
  488   1HD   PRO  66          2HD       PRO  66   6.452 -15.595  -1.877
  489   2HD   PRO  66          1HD       PRO  66   5.125 -14.811  -2.769
  490    H    GLU  67           H        GLU  67   7.596 -13.662   0.283
  491    HA   GLU  67           HA       GLU  67   7.517 -12.094   2.716
  492   1HB   GLU  67          2HB       GLU  67   9.747 -13.511   3.034
  493   2HB   GLU  67          1HB       GLU  67   8.155 -14.203   3.308
  494   1HG   GLU  67          2HG       GLU  67   8.167 -15.202   1.120
  495   2HG   GLU  67          1HG       GLU  67   9.705 -14.435   0.740
  496    H    GLU  68           H        GLU  68   9.500 -12.409  -0.154
  497    HA   GLU  68           HA       GLU  68  11.367 -10.424   0.838
  498   1HB   GLU  68          2HB       GLU  68  12.177 -12.360  -0.476
  499   2HB   GLU  68          1HB       GLU  68  11.293 -11.749  -1.871
  500   1HG   GLU  68          2HG       GLU  68  12.619  -9.693  -1.794
  501   2HG   GLU  68          1HG       GLU  68  13.522 -10.337  -0.429
  502    H    LEU  69           H        LEU  69   8.531 -10.552  -1.087
  503    HA   LEU  69           HA       LEU  69   8.951  -8.253  -2.668
  504   1HB   LEU  69          2HB       LEU  69   7.227  -9.833  -3.237
  505   2HB   LEU  69          1HB       LEU  69   6.403  -9.551  -1.718
  506    HG   LEU  69           HG       LEU  69   5.786  -7.316  -2.405
  507   1HD1  LEU  69          1HD1      LEU  69   7.637  -6.549  -3.645
  508   2HD1  LEU  69          2HD1      LEU  69   6.302  -6.631  -4.794
  509   3HD1  LEU  69          3HD1      LEU  69   7.533  -7.893  -4.783
  510   1HD2  LEU  69          1HD2      LEU  69   4.272  -9.031  -3.088
  511   2HD2  LEU  69          2HD2      LEU  69   5.269  -9.420  -4.490
  512   3HD2  LEU  69          3HD2      LEU  69   4.419  -7.878  -4.415
  513    H    LEU  70           H        LEU  70   6.891  -8.627   0.235
  514    HA   LEU  70           HA       LEU  70   6.501  -5.889   0.645
  515   1HB   LEU  70          2HB       LEU  70   5.155  -7.445   1.873
  516   2HB   LEU  70          1HB       LEU  70   6.569  -8.198   2.587
  517    HG   LEU  70           HG       LEU  70   6.122  -5.315   3.165
  518   1HD1  LEU  70          1HD1      LEU  70   4.043  -7.143   3.519
  519   2HD1  LEU  70          2HD1      LEU  70   4.198  -5.541   4.239
  520   3HD1  LEU  70          3HD1      LEU  70   4.787  -6.958   5.107
  521   1HD2  LEU  70          1HD2      LEU  70   7.586  -7.587   4.247
  522   2HD2  LEU  70          2HD2      LEU  70   6.708  -6.680   5.479
  523   3HD2  LEU  70          3HD2      LEU  70   7.871  -5.858   4.441
  524    H    ASN  71           H        ASN  71   9.143  -7.991   1.195
  525    HA   ASN  71           HA       ASN  71  10.613  -6.335   2.990
  526   1HB   ASN  71          2HB       ASN  71  11.035  -8.757   2.793
  527   2HB   ASN  71          1HB       ASN  71  11.612  -8.517   1.144
  528   1HD2  ASN  71          1HD2      ASN  71  12.544  -8.882   4.268
  529   2HD2  ASN  71          2HD2      ASN  71  14.115  -8.171   4.190
  530    H    HIS  72           H        HIS  72  10.606  -6.760  -0.561
  531    HA   HIS  72           HA       HIS  72  12.752  -4.913  -0.960
  532   1HB   HIS  72          2HB       HIS  72  10.791  -6.284  -2.763
  533   2HB   HIS  72          1HB       HIS  72  11.752  -4.944  -3.377
  534    HD1  HIS  72           1HD      HIS  72  14.492  -5.404  -2.514
  535    HD2  HIS  72           2HD      HIS  72  11.991  -8.587  -3.455
  536    HE1  HIS  72           1HE      HIS  72  16.025  -7.320  -3.067
  537    HE2  HIS  72           2HE      HIS  72  14.490  -9.260  -3.546
  538    H    THR  73           H        THR  73   9.285  -4.712  -0.700
  539    HA   THR  73           HA       THR  73   8.933  -2.181  -1.868
  540    HB   THR  73           HB       THR  73   6.848  -2.065  -0.601
  541    HG1  THR  73           1HG      THR  73   6.406  -3.892   0.819
  542   1HG2  THR  73          1HG2      THR  73   7.214  -3.765  -2.551
  543   2HG2  THR  73          2HG2      THR  73   5.727  -3.779  -1.599
  544   3HG2  THR  73          3HG2      THR  73   7.001  -4.952  -1.263
  545    H    GLN  74           H        GLN  74   9.975  -3.205   1.333
  546    HA   GLN  74           HA       GLN  74   9.857  -0.637   2.550
  547   1HB   GLN  74          2HB       GLN  74  11.905  -2.652   3.379
  548   2HB   GLN  74          1HB       GLN  74  10.950  -1.568   4.375
  549   1HG   GLN  74          2HG       GLN  74   9.915  -4.021   2.978
  550   2HG   GLN  74          1HG       GLN  74  10.328  -3.907   4.684
  551   1HE2  GLN  74          1HE2      GLN  74   9.093  -0.986   4.071
  552   2HE2  GLN  74          2HE2      GLN  74   7.428  -1.268   4.418
  553    H    ARG  75           H        ARG  75  12.079  -2.251   0.440
  554    HA   ARG  75           HA       ARG  75  14.417  -0.811   0.924
  555   1HB   ARG  75          2HB       ARG  75  14.303  -2.795  -0.543
  556   2HB   ARG  75          1HB       ARG  75  13.422  -1.853  -1.736
  557   1HG   ARG  75          2HG       ARG  75  15.361  -0.368  -1.971
  558   2HG   ARG  75          1HG       ARG  75  16.243  -1.362  -0.808
  559   1HD   ARG  75          2HD       ARG  75  16.017  -3.292  -2.297
  560   2HD   ARG  75          1HD       ARG  75  15.142  -2.295  -3.457
  561    HE   ARG  75           HE       ARG  75  17.612  -1.087  -2.927
  562   1HH1  ARG  75          1HH1      ARG  75  16.318  -3.937  -4.457
  563   2HH1  ARG  75          2HH1      ARG  75  17.626  -4.084  -5.583
  564   1HH2  ARG  75          1HH2      ARG  75  19.337  -1.271  -4.402
  565   2HH2  ARG  75          2HH2      ARG  75  19.345  -2.566  -5.553
  566    H    ILE  76           H        ILE  76  11.525   0.014  -0.890
  567    HA   ILE  76           HA       ILE  76  12.536   2.297  -2.205
  568    HB   ILE  76           HB       ILE  76   9.701   1.723  -1.300
  569   1HG1  ILE  76          2HG1      ILE  76   9.369   1.301  -3.772
  570   2HG1  ILE  76          1HG1      ILE  76  11.118   1.375  -3.953
  571   1HG2  ILE  76          1HG2      ILE  76  10.900   4.104  -2.437
  572   2HG2  ILE  76          2HG2      ILE  76   9.294   3.863  -1.744
  573   3HG2  ILE  76          3HG2      ILE  76   9.591   3.471  -3.437
  574   1HD1  ILE  76          1HD1      ILE  76  10.585  -0.897  -3.855
  575   2HD1  ILE  76          2HD1      ILE  76   9.479  -0.668  -2.502
  576   3HD1  ILE  76          3HD1      ILE  76  11.218  -0.506  -2.255
  577    H    GLU  77           H        GLU  77  11.236   1.716   0.989
  578    HA   GLU  77           HA       GLU  77  10.935   4.360   1.867
  579   1HB   GLU  77          2HB       GLU  77  11.631   1.840   3.384
  580   2HB   GLU  77          1HB       GLU  77  11.253   3.363   4.164
  581   1HG   GLU  77          2HG       GLU  77   9.034   3.321   3.077
  582   2HG   GLU  77          1HG       GLU  77   9.429   1.735   2.414
  583    H    LEU  78           H        LEU  78  13.731   2.289   1.569
  584    HA   LEU  78           HA       LEU  78  15.476   4.113   2.989
  585   1HB   LEU  78          2HB       LEU  78  16.111   1.636   1.380
  586   2HB   LEU  78          1HB       LEU  78  17.250   2.521   2.376
  587    HG   LEU  78           HG       LEU  78  14.800   1.087   3.406
  588   1HD1  LEU  78          1HD1      LEU  78  16.098  -0.712   3.025
  589   2HD1  LEU  78          2HD1      LEU  78  16.906  -0.186   4.502
  590   3HD1  LEU  78          3HD1      LEU  78  17.579   0.241   2.929
  591   1HD2  LEU  78          1HD2      LEU  78  16.402   1.457   5.541
  592   2HD2  LEU  78          2HD2      LEU  78  15.102   2.558   5.089
  593   3HD2  LEU  78          3HD2      LEU  78  16.763   2.918   4.622
  594    H    GLN  79           H        GLN  79  15.074   2.943  -0.345
  595    HA   GLN  79           HA       GLN  79  17.078   4.496  -1.526
  596   1HB   GLN  79          2HB       GLN  79  14.491   3.573  -2.770
  597   2HB   GLN  79          1HB       GLN  79  15.936   4.079  -3.637
  598   1HG   GLN  79          2HG       GLN  79  17.146   2.209  -2.491
  599   2HG   GLN  79          1HG       GLN  79  15.577   1.647  -1.921
  600   1HE2  GLN  79          1HE2      GLN  79  14.564   0.240  -3.146
  601   2HE2  GLN  79          2HE2      GLN  79  14.843  -0.028  -4.827
  602    H    GLN  80           H        GLN  80  13.968   5.411  -0.356
  603    HA   GLN  80           HA       GLN  80  14.032   7.918  -1.874
  604   1HB   GLN  80          2HB       GLN  80  11.942   6.513  -1.800
  605   2HB   GLN  80          1HB       GLN  80  11.836   6.872  -0.083
  606   1HG   GLN  80          2HG       GLN  80  10.365   8.303  -1.370
  607   2HG   GLN  80          1HG       GLN  80  11.627   9.246  -0.582
  608   1HE2  GLN  80          1HE2      GLN  80   9.994   8.744  -3.413
  609   2HE2  GLN  80          2HE2      GLN  80  11.094   9.504  -4.507
  610    H    GLY  81           H        GLY  81  15.110   6.699   0.992
  611   1HA   GLY  81          2HA       GLY  81  16.002   7.703   2.850
  612   2HA   GLY  81          1HA       GLY  81  15.752   9.249   2.051
  613    H    ARG  82           H        ARG  82  14.134   6.736   3.963
  614    HA   ARG  82           HA       ARG  82  11.943   8.506   4.553
  615   1HB   ARG  82          2HB       ARG  82  11.103   6.385   4.385
  616   2HB   ARG  82          1HB       ARG  82  12.585   5.636   4.968
  617   1HG   ARG  82          2HG       ARG  82  12.042   6.464   7.223
  618   2HG   ARG  82          1HG       ARG  82  10.481   7.016   6.609
  619   1HD   ARG  82          2HD       ARG  82   9.924   4.734   5.943
  620   2HD   ARG  82          1HD       ARG  82  11.492   4.171   6.518
  621    HE   ARG  82           HE       ARG  82  10.167   5.447   8.631
  622   1HH1  ARG  82          1HH1      ARG  82   9.909   2.579   6.663
  623   2HH1  ARG  82          2HH1      ARG  82   9.136   1.645   7.900
  624   1HH2  ARG  82          1HH2      ARG  82   9.151   4.219  10.261
  625   2HH2  ARG  82          2HH2      ARG  82   8.708   2.577   9.945
  626    H    VAL  83           H        VAL  83  12.184   9.970   6.026
  627    HA   VAL  83           HA       VAL  83  14.249   9.864   8.011
  628    HB   VAL  83           HB       VAL  83  11.988  11.841   7.879
  629   1HG1  VAL  83          1HG1      VAL  83  14.327  13.136   8.543
  630   2HG1  VAL  83          2HG1      VAL  83  14.457  11.592   9.384
  631   3HG1  VAL  83          3HG1      VAL  83  13.062  12.633   9.663
  632   1HG2  VAL  83          1HG2      VAL  83  12.767  12.741   5.988
  633   2HG2  VAL  83          2HG2      VAL  83  13.711  11.264   5.781
  634   3HG2  VAL  83          3HG2      VAL  83  14.434  12.675   6.561
  635    H    ARG  84           H        ARG  84  13.924   9.809  10.285
  636    HA   ARG  84           HA       ARG  84  12.840   9.337  12.271
  637   1HB   ARG  84          2HB       ARG  84  10.480   9.117  10.439
  638   2HB   ARG  84          1HB       ARG  84  10.395   8.390  12.031
  639   1HG   ARG  84          2HG       ARG  84   9.488  10.748  11.701
  640   2HG   ARG  84          1HG       ARG  84  10.496  10.428  13.109
  641   1HD   ARG  84          2HD       ARG  84  12.425  11.382  11.929
  642   2HD   ARG  84          1HD       ARG  84  11.401  11.706  10.530
  643    HE   ARG  84           HE       ARG  84  10.180  12.954  12.661
  644   1HH1  ARG  84          1HH1      ARG  84  13.285  13.128  11.091
  645   2HH1  ARG  84          2HH1      ARG  84  13.497  14.816  11.412
  646   1HH2  ARG  84          1HH2      ARG  84  10.452  15.178  13.088
  647   2HH2  ARG  84          2HH2      ARG  84  11.889  15.981  12.549
  648    H    LYS  85           H        LYS  85  12.181   7.268   9.494
  649    HA   LYS  85           HA       LYS  85  12.576   5.074   9.095
  650   1HB   LYS  85          2HB       LYS  85  14.241   5.328  11.591
  651   2HB   LYS  85          1HB       LYS  85  14.237   3.912  10.547
  652   1HG   LYS  85          2HG       LYS  85  14.999   6.694   9.671
  653   2HG   LYS  85          1HG       LYS  85  16.142   5.435  10.145
  654   1HD   LYS  85          2HD       LYS  85  14.156   5.176   7.887
  655   2HD   LYS  85          1HD       LYS  85  15.837   5.666   7.679
  656   1HE   LYS  85          2HE       LYS  85  15.691   3.338   7.184
  657   2HE   LYS  85          1HE       LYS  85  16.516   3.505   8.734
  658   1HZ   LYS  85          1HZ       LYS  85  14.572   1.790   8.380
  659   2HZ   LYS  85          2HZ       LYS  85  13.615   3.130   8.766
  660   3HZ   LYS  85          3HZ       LYS  85  14.787   2.585   9.858
  661    H    ALA  86           H        ALA  86  10.892   6.130  11.794
  662    HA   ALA  86           HA       ALA  86   9.768   3.436  12.134
  663   1HB   ALA  86          1HB       ALA  86  10.610   3.338  14.193
  664   2HB   ALA  86          2HB       ALA  86   9.464   4.608  14.624
  665   3HB   ALA  86          3HB       ALA  86  11.108   5.030  14.146
  666    H    GLU  87           H        GLU  87   7.776   3.552  11.404
  667    HA   GLU  87           HA       GLU  87   6.088   5.816  12.233
  668   1HB   GLU  87          2HB       GLU  87   4.904   5.640  10.072
  669   2HB   GLU  87          1HB       GLU  87   6.591   6.087   9.879
  670   1HG   GLU  87          2HG       GLU  87   7.091   3.704   9.363
  671   2HG   GLU  87          1HG       GLU  87   5.355   3.394   9.390
  672    H    ARG  88           H        ARG  88   5.306   4.590  13.993
  673    HA   ARG  88           HA       ARG  88   4.408   1.987  13.957
  674   1HB   ARG  88          2HB       ARG  88   3.265   4.306  15.518
  675   2HB   ARG  88          1HB       ARG  88   2.953   2.610  15.861
  676   1HG   ARG  88          2HG       ARG  88   5.350   2.272  16.280
  677   2HG   ARG  88          1HG       ARG  88   5.628   3.988  15.987
  678   1HD   ARG  88          2HD       ARG  88   4.159   4.548  17.856
  679   2HD   ARG  88          1HD       ARG  88   3.860   2.834  18.142
  680    HE   ARG  88           HE       ARG  88   6.625   3.300  18.228
  681   1HH1  ARG  88          1HH1      ARG  88   3.735   4.000  20.042
  682   2HH1  ARG  88          2HH1      ARG  88   4.556   4.092  21.563
  683   1HH2  ARG  88          1HH2      ARG  88   7.716   3.422  20.227
  684   2HH2  ARG  88          2HH2      ARG  88   6.818   3.766  21.669
  685    H    TRP  89           H        TRP  89   2.347   4.877  13.492
  686    HA   TRP  89           HA       TRP  89   0.513   3.156  11.952
  687   1HB   TRP  89          2HB       TRP  89  -0.303   5.571  13.574
  688   2HB   TRP  89          1HB       TRP  89  -1.364   4.434  12.755
  689    HD1  TRP  89           HD       TRP  89  -1.797   2.081  13.944
  690    HE1  TRP  89           1HE      TRP  89  -1.455   1.292  16.371
  691    HE3  TRP  89           3HE      TRP  89   1.222   5.857  15.603
  692    HZ2  TRP  89           2HZ      TRP  89  -0.093   2.164  18.683
  693    HZ3  TRP  89           3HZ      TRP  89   1.993   5.811  17.939
  694    HH2  TRP  89           HH       TRP  89   1.349   4.001  19.447
  695    H    GLY  90           H        GLY  90   2.045   6.283  12.261
  696   1HA   GLY  90          2HA       GLY  90   0.720   7.551  10.105
  697   2HA   GLY  90          1HA       GLY  90   2.214   8.078  10.849
  698    HA   PRO  91           HA       PRO  91   3.106   6.249   6.626
  699   1HB   PRO  91          2HB       PRO  91   2.640   8.207   4.912
  700   2HB   PRO  91          1HB       PRO  91   1.286   7.289   5.587
  701   1HG   PRO  91          2HG       PRO  91   2.306   9.993   6.352
  702   2HG   PRO  91          1HG       PRO  91   0.632   9.447   6.155
  703   1HD   PRO  91          2HD       PRO  91   1.993   9.627   8.578
  704   2HD   PRO  91          1HD       PRO  91   0.535   8.657   8.291
  705    H    ARG  92           H        ARG  92   3.910   9.252   8.168
  706    HA   ARG  92           HA       ARG  92   5.824  10.441   8.381
  707   1HB   ARG  92          2HB       ARG  92   6.683   8.020   8.739
  708   2HB   ARG  92          1HB       ARG  92   7.376   8.201   7.134
  709   1HG   ARG  92          2HG       ARG  92   7.943  10.041   9.455
  710   2HG   ARG  92          1HG       ARG  92   8.970   8.690   8.967
  711   1HD   ARG  92          2HD       ARG  92   9.574   9.716   6.969
  712   2HD   ARG  92          1HD       ARG  92   8.204  10.822   7.009
  713    HE   ARG  92           HE       ARG  92  10.763  11.266   8.128
  714   1HH1  ARG  92          1HH1      ARG  92   7.376  11.821   8.723
  715   2HH1  ARG  92          2HH1      ARG  92   7.641  13.260   9.649
  716   1HH2  ARG  92          1HH2      ARG  92  11.123  13.169   9.338
  717   2HH2  ARG  92          2HH2      ARG  92   9.770  14.025   9.999
  718    H    THR  93           H        THR  93   7.063   8.726   5.669
  719    HA   THR  93           HA       THR  93   6.607  11.050   3.918
  720    HB   THR  93           HB       THR  93   8.928  10.557   2.946
  721    HG1  THR  93           1HG      THR  93   9.927   8.970   3.834
  722   1HG2  THR  93          1HG2      THR  93   8.187  12.356   4.834
  723   2HG2  THR  93          2HG2      THR  93   9.775  12.273   4.071
  724   3HG2  THR  93          3HG2      THR  93   9.508  11.511   5.636
  725    H    LEU  94           H        LEU  94   7.557   7.643   4.099
  726    HA   LEU  94           HA       LEU  94   5.862   6.979   1.869
  727   1HB   LEU  94          2HB       LEU  94   7.894   7.818   0.740
  728   2HB   LEU  94          1HB       LEU  94   8.858   6.648   1.617
  729    HG   LEU  94           HG       LEU  94   6.639   5.744  -0.196
  730   1HD1  LEU  94          1HD1      LEU  94   8.119   7.269  -1.468
  731   2HD1  LEU  94          2HD1      LEU  94   8.200   5.599  -2.026
  732   3HD1  LEU  94          3HD1      LEU  94   9.493   6.258  -1.023
  733   1HD2  LEU  94          1HD2      LEU  94   8.418   3.856  -0.422
  734   2HD2  LEU  94          2HD2      LEU  94   7.407   3.935   1.021
  735   3HD2  LEU  94          3HD2      LEU  94   9.063   4.538   1.073
  736    H    ASP  95           H        ASP  95   5.242   4.868   1.935
  737    HA   ASP  95           HA       ASP  95   6.728   2.810   3.201
  738   1HB   ASP  95          2HB       ASP  95   5.997   4.023   5.224
  739   2HB   ASP  95          1HB       ASP  95   4.321   3.849   4.716
  740    H    LEU  96           H        LEU  96   6.238   1.192   1.890
  741    HA   LEU  96           HA       LEU  96   3.412   0.783   1.195
  742   1HB   LEU  96          2HB       LEU  96   4.113  -0.074  -0.990
  743   2HB   LEU  96          1HB       LEU  96   4.567   1.598  -0.763
  744    HG   LEU  96           HG       LEU  96   6.508  -0.669  -0.361
  745   1HD1  LEU  96          1HD1      LEU  96   5.637   0.732  -2.845
  746   2HD1  LEU  96          2HD1      LEU  96   6.074  -0.959  -2.596
  747   3HD1  LEU  96          3HD1      LEU  96   7.331   0.275  -2.664
  748   1HD2  LEU  96          1HD2      LEU  96   8.110   1.238  -0.881
  749   2HD2  LEU  96          2HD2      LEU  96   7.300   1.282   0.685
  750   3HD2  LEU  96          3HD2      LEU  96   6.736   2.315  -0.628
  751    H    ASP  97           H        ASP  97   2.677  -0.973   2.132
  752    HA   ASP  97           HA       ASP  97   4.488  -3.273   2.503
  753   1HB   ASP  97          2HB       ASP  97   2.223  -2.297   4.250
  754   2HB   ASP  97          1HB       ASP  97   3.066  -3.822   4.495
  755    H    ILE  98           H        ILE  98   3.662  -5.363   2.184
  756    HA   ILE  98           HA       ILE  98   1.762  -5.660   0.149
  757    HB   ILE  98           HB       ILE  98   3.178  -7.567   1.957
  758   1HG1  ILE  98          2HG1      ILE  98   4.090  -6.846  -0.219
  759   2HG1  ILE  98          1HG1      ILE  98   3.817  -8.580  -0.160
  760   1HG2  ILE  98          1HG2      ILE  98   0.742  -8.369   0.364
  761   2HG2  ILE  98          2HG2      ILE  98   0.904  -8.412   2.118
  762   3HG2  ILE  98          3HG2      ILE  98   1.885  -9.481   1.117
  763   1HD1  ILE  98          1HD1      ILE  98   3.165  -7.631  -2.302
  764   2HD1  ILE  98          2HD1      ILE  98   2.029  -6.554  -1.487
  765   3HD1  ILE  98          3HD1      ILE  98   1.772  -8.299  -1.451
  766    H    MET  99           H        MET  99  -0.255  -4.992   0.366
  767    HA   MET  99           HA       MET  99  -1.706  -5.469   2.858
  768   1HB   MET  99          2HB       MET  99  -2.606  -3.949   0.402
  769   2HB   MET  99          1HB       MET  99  -3.376  -3.945   1.983
  770   1HG   MET  99          2HG       MET  99  -0.681  -2.806   1.284
  771   2HG   MET  99          1HG       MET  99  -2.146  -1.907   1.675
  772   1HE   MET  99          1HE       MET  99  -0.788  -0.482   3.660
  773   2HE   MET  99          2HE       MET  99   0.579  -1.331   2.935
  774   3HE   MET  99          3HE       MET  99   0.368  -1.330   4.687
  775    H    LEU 100           H        LEU 100  -1.334  -6.635  -0.316
  776    HA   LEU 100           HA       LEU 100  -3.088  -8.837   0.148
  777   1HB   LEU 100          2HB       LEU 100  -4.093  -6.532  -1.292
  778   2HB   LEU 100          1HB       LEU 100  -4.089  -7.948  -2.323
  779    HG   LEU 100           HG       LEU 100  -5.459  -7.698   0.358
  780   1HD1  LEU 100          1HD1      LEU 100  -7.479  -8.132  -1.179
  781   2HD1  LEU 100          2HD1      LEU 100  -6.410  -7.600  -2.477
  782   3HD1  LEU 100          3HD1      LEU 100  -6.778  -6.514  -1.138
  783   1HD2  LEU 100          1HD2      LEU 100  -4.841  -9.943   0.240
  784   2HD2  LEU 100          2HD2      LEU 100  -5.086 -10.015  -1.507
  785   3HD2  LEU 100          3HD2      LEU 100  -6.475  -9.921  -0.425
  786    H    PHE 101           H        PHE 101  -2.399 -10.566  -0.990
  787    HA   PHE 101           HA       PHE 101  -0.885 -10.223  -3.435
  788   1HB   PHE 101          2HB       PHE 101   0.776  -9.927  -1.587
  789   2HB   PHE 101          1HB       PHE 101   0.402 -11.550  -1.038
  790    HD1  PHE 101           1HD      PHE 101   1.747 -13.269  -1.748
  791    HD2  PHE 101           2HD      PHE 101   1.422  -9.772  -4.150
  792    HE1  PHE 101           1HE      PHE 101   3.436 -14.178  -3.289
  793    HE2  PHE 101           2HE      PHE 101   3.110 -10.675  -5.699
  794    HZ   PHE 101           HZ       PHE 101   4.103 -12.889  -5.281
  795    H    GLY 102           H        GLY 102  -2.624 -11.416  -4.312
  796   1HA   GLY 102          2HA       GLY 102  -3.538 -13.367  -5.124
  797   2HA   GLY 102          1HA       GLY 102  -2.222 -14.232  -4.340
  798    H    ASN 103           H        ASN 103  -2.689 -15.449  -2.621
  799    HA   ASN 103           HA       ASN 103  -4.930 -14.791  -0.912
  800   1HB   ASN 103          2HB       ASN 103  -6.027 -16.966  -1.133
  801   2HB   ASN 103          1HB       ASN 103  -6.009 -16.114  -2.671
  802   1HD2  ASN 103          1HD2      ASN 103  -2.924 -17.086  -2.272
  803   2HD2  ASN 103          2HD2      ASN 103  -2.989 -18.616  -3.065
  804    H    GLU 104           H        GLU 104  -1.859 -15.540  -1.141
  805    HA   GLU 104           HA       GLU 104  -1.513 -17.702   0.659
  806   1HB   GLU 104          2HB       GLU 104   0.775 -16.238   0.973
  807   2HB   GLU 104          1HB       GLU 104   0.514 -17.473  -0.243
  808   1HG   GLU 104          2HG       GLU 104  -0.255 -14.648  -0.809
  809   2HG   GLU 104          1HG       GLU 104   1.435 -15.137  -0.908
  810    H    VAL 105           H        VAL 105  -0.742 -17.635   2.821
  811    HA   VAL 105           HA       VAL 105  -1.202 -15.154   4.291
  812    HB   VAL 105           HB       VAL 105  -2.563 -17.767   4.940
  813   1HG1  VAL 105          1HG1      VAL 105  -2.806 -17.118   7.066
  814   2HG1  VAL 105          2HG1      VAL 105  -3.346 -15.512   6.574
  815   3HG1  VAL 105          3HG1      VAL 105  -1.623 -15.850   6.741
  816   1HG2  VAL 105          1HG2      VAL 105  -4.091 -16.884   3.545
  817   2HG2  VAL 105          2HG2      VAL 105  -3.410 -15.261   3.664
  818   3HG2  VAL 105          3HG2      VAL 105  -4.491 -15.858   4.922
  819    H    ILE 106           H        ILE 106   1.045 -15.137   4.561
  820    HA   ILE 106           HA       ILE 106   1.966 -16.866   6.716
  821    HB   ILE 106           HB       ILE 106   4.265 -16.683   5.279
  822   1HG1  ILE 106          2HG1      ILE 106   3.693 -17.475   2.972
  823   2HG1  ILE 106          1HG1      ILE 106   2.009 -17.080   3.300
  824   1HG2  ILE 106          1HG2      ILE 106   3.275 -19.105   4.465
  825   2HG2  ILE 106          2HG2      ILE 106   2.281 -18.733   5.873
  826   3HG2  ILE 106          3HG2      ILE 106   4.038 -18.776   6.021
  827   1HD1  ILE 106          1HD1      ILE 106   2.799 -15.261   2.102
  828   2HD1  ILE 106          2HD1      ILE 106   4.341 -15.241   2.959
  829   3HD1  ILE 106          3HD1      ILE 106   2.870 -14.715   3.778
  830    H    ASN 107           H        ASN 107   2.946 -15.765   8.253
  831    HA   ASN 107           HA       ASN 107   3.934 -13.065   7.615
  832   1HB   ASN 107          2HB       ASN 107   2.867 -13.892  10.307
  833   2HB   ASN 107          1HB       ASN 107   3.101 -12.264   9.677
  834   1HD2  ASN 107          1HD2      ASN 107   1.395 -11.272   8.859
  835   2HD2  ASN 107          2HD2      ASN 107  -0.091 -12.019   8.403
  836    H    THR 108           H        THR 108   6.086 -13.132   7.625
  837    HA   THR 108           HA       THR 108   7.436 -14.797   9.639
  838    HB   THR 108           HB       THR 108   9.433 -14.606   8.219
  839    HG1  THR 108           1HG      THR 108   9.450 -12.916   6.981
  840   1HG2  THR 108          1HG2      THR 108   7.287 -16.166   7.672
  841   2HG2  THR 108          2HG2      THR 108   8.838 -16.249   6.835
  842   3HG2  THR 108          3HG2      THR 108   7.510 -15.323   6.139
  843    H    GLU 109           H        GLU 109   9.907 -13.091   8.932
  844    HA   GLU 109           HA       GLU 109   9.939 -11.525  11.238
  845   1HB   GLU 109          2HB       GLU 109  11.598 -11.251   8.727
  846   2HB   GLU 109          1HB       GLU 109  11.963 -10.474  10.262
  847   1HG   GLU 109          2HG       GLU 109  12.239 -12.638  11.321
  848   2HG   GLU 109          1HG       GLU 109  11.805 -13.446   9.815
  849    H    ARG 110           H        ARG 110  10.154 -10.124   7.967
  850    HA   ARG 110           HA       ARG 110   8.672  -7.795   8.957
  851   1HB   ARG 110          2HB       ARG 110  10.300  -8.139   6.432
  852   2HB   ARG 110          1HB       ARG 110   9.473  -6.665   6.903
  853   1HG   ARG 110          2HG       ARG 110  11.698  -6.315   7.496
  854   2HG   ARG 110          1HG       ARG 110  10.895  -6.729   9.011
  855   1HD   ARG 110          2HD       ARG 110  11.704  -9.021   8.827
  856   2HD   ARG 110          1HD       ARG 110  12.481  -8.633   7.292
  857    HE   ARG 110           HE       ARG 110  13.409  -6.876   9.284
  858   1HH1  ARG 110          1HH1      ARG 110  13.643 -10.212   8.305
  859   2HH1  ARG 110          2HH1      ARG 110  15.215 -10.437   8.996
  860   1HH2  ARG 110          1HH2      ARG 110  15.474  -7.164  10.196
  861   2HH2  ARG 110          2HH2      ARG 110  16.256  -8.703  10.071
  862    H    LEU 111           H        LEU 111   8.562 -10.373   6.608
  863    HA   LEU 111           HA       LEU 111   6.612  -9.478   4.879
  864   1HB   LEU 111          2HB       LEU 111   7.553 -11.473   4.224
  865   2HB   LEU 111          1HB       LEU 111   7.415 -12.189   5.818
  866    HG   LEU 111           HG       LEU 111   5.012 -12.488   5.503
  867   1HD1  LEU 111          1HD1      LEU 111   4.014 -11.028   4.134
  868   2HD1  LEU 111          2HD1      LEU 111   4.465 -12.161   2.859
  869   3HD1  LEU 111          3HD1      LEU 111   5.483 -10.759   3.194
  870   1HD2  LEU 111          1HD2      LEU 111   5.269 -14.418   4.426
  871   2HD2  LEU 111          2HD2      LEU 111   6.973 -13.966   4.360
  872   3HD2  LEU 111          3HD2      LEU 111   5.920 -13.636   2.985
  873    H    THR 112           H        THR 112   4.582  -8.988   5.017
  874    HA   THR 112           HA       THR 112   2.874 -10.280   6.983
  875    HB   THR 112           HB       THR 112   1.795  -7.943   7.307
  876    HG1  THR 112           1HG      THR 112   4.430  -7.225   6.582
  877   1HG2  THR 112          1HG2      THR 112   2.566  -8.068   9.367
  878   2HG2  THR 112          2HG2      THR 112   4.203  -7.683   8.833
  879   3HG2  THR 112          3HG2      THR 112   3.645  -9.357   8.829
  880    H    VAL 113           H        VAL 113   1.209 -11.085   5.917
  881    HA   VAL 113           HA       VAL 113   0.529 -10.071   3.285
  882    HB   VAL 113           HB       VAL 113   0.500 -12.587   4.447
  883   1HG1  VAL 113          1HG1      VAL 113  -1.580 -13.365   4.899
  884   2HG1  VAL 113          2HG1      VAL 113  -2.373 -12.188   3.851
  885   3HG1  VAL 113          3HG1      VAL 113  -1.775 -11.696   5.437
  886   1HG2  VAL 113          1HG2      VAL 113   0.248 -11.512   1.933
  887   2HG2  VAL 113          2HG2      VAL 113  -1.235 -12.447   2.121
  888   3HG2  VAL 113          3HG2      VAL 113   0.332 -13.229   2.327
  889    HA   PRO 114           HA       PRO 114  -3.333  -7.709   3.819
  890   1HB   PRO 114          2HB       PRO 114  -4.672 -10.259   4.681
  891   2HB   PRO 114          1HB       PRO 114  -5.330  -8.921   3.733
  892   1HG   PRO 114          2HG       PRO 114  -4.223 -11.231   2.657
  893   2HG   PRO 114          1HG       PRO 114  -4.424  -9.700   1.790
  894   1HD   PRO 114          2HD       PRO 114  -1.974 -10.962   2.458
  895   2HD   PRO 114          1HD       PRO 114  -2.175  -9.318   1.819
  896    H    HIS 115           H        HIS 115  -2.195  -6.740   5.502
  897    HA   HIS 115           HA       HIS 115  -2.150  -7.708   8.172
  898   1HB   HIS 115          2HB       HIS 115  -0.592  -6.046   6.869
  899   2HB   HIS 115          1HB       HIS 115  -1.743  -4.837   7.411
  900    HD1  HIS 115           1HD      HIS 115  -0.221  -7.745   9.333
  901    HD2  HIS 115           2HD      HIS 115  -0.447  -3.599   9.427
  902    HE1  HIS 115           1HE      HIS 115   0.968  -7.056  11.440
  903    HE2  HIS 115           2HE      HIS 115   0.744  -4.548  11.520
  904    H    TYR 116           H        TYR 116  -3.880  -7.787   9.446
  905    HA   TYR 116           HA       TYR 116  -6.364  -6.842   9.153
  906   1HB   TYR 116          2HB       TYR 116  -6.329  -6.508  11.769
  907   2HB   TYR 116          1HB       TYR 116  -6.175  -8.107  11.058
  908    HD1  TYR 116           1HD      TYR 116  -3.538  -5.474  11.379
  909    HD2  TYR 116           2HD      TYR 116  -4.950  -9.283  12.648
  910    HE1  TYR 116           1HE      TYR 116  -1.453  -5.825  12.628
  911    HE2  TYR 116           2HE      TYR 116  -2.863  -9.643  13.896
  912    HH   TYR 116           HH       TYR 116  -0.285  -7.199  13.914
  913    H    ASP 117           H        ASP 117  -6.561  -4.903   8.109
  914    HA   ASP 117           HA       ASP 117  -6.851  -2.577   9.649
  915   1HB   ASP 117          2HB       ASP 117  -4.305  -2.765   9.544
  916   2HB   ASP 117          1HB       ASP 117  -4.448  -2.452   7.820
  917    H    MET 118           H        MET 118  -5.579  -3.227   6.384
  918    HA   MET 118           HA       MET 118  -6.899  -1.356   4.914
  919   1HB   MET 118          2HB       MET 118  -6.649  -2.792   2.996
  920   2HB   MET 118          1HB       MET 118  -5.239  -2.966   4.028
  921   1HG   MET 118          2HG       MET 118  -7.535  -4.888   4.154
  922   2HG   MET 118          1HG       MET 118  -6.219  -5.073   2.995
  923   1HE   MET 118          1HE       MET 118  -3.342  -4.542   5.543
  924   2HE   MET 118          2HE       MET 118  -3.931  -4.285   3.901
  925   3HE   MET 118          3HE       MET 118  -3.308  -5.865   4.378
  926    H    LYS 119           H        LYS 119  -8.105  -4.388   6.001
  927    HA   LYS 119           HA       LYS 119 -10.512  -4.480   4.559
  928   1HB   LYS 119          2HB       LYS 119 -11.125  -6.153   6.349
  929   2HB   LYS 119          1HB       LYS 119  -9.612  -6.443   5.483
  930   1HG   LYS 119          2HG       LYS 119  -8.337  -5.522   7.311
  931   2HG   LYS 119          1HG       LYS 119  -9.822  -5.156   8.191
  932   1HD   LYS 119          2HD       LYS 119  -8.874  -7.192   9.069
  933   2HD   LYS 119          1HD       LYS 119 -10.360  -7.580   8.200
  934   1HE   LYS 119          2HE       LYS 119  -8.620  -9.192   7.672
  935   2HE   LYS 119          1HE       LYS 119  -9.034  -8.240   6.246
  936   1HZ   LYS 119          1HZ       LYS 119  -7.081  -6.825   6.755
  937   2HZ   LYS 119          2HZ       LYS 119  -6.676  -8.423   6.374
  938   3HZ   LYS 119          3HZ       LYS 119  -6.652  -7.906   7.984
  939    H    ASN 120           H        ASN 120  -9.642  -3.186   7.671
  940    HA   ASN 120           HA       ASN 120 -12.320  -2.014   7.966
  941   1HB   ASN 120          2HB       ASN 120 -11.499  -1.504  10.313
  942   2HB   ASN 120          1HB       ASN 120 -11.654  -3.220   9.947
  943   1HD2  ASN 120          1HD2      ASN 120  -9.660  -0.885  11.210
  944   2HD2  ASN 120          2HD2      ASN 120  -8.171  -1.755  11.171
  945    H    ARG 121           H        ARG 121 -10.487  -1.157   5.996
  946    HA   ARG 121           HA       ARG 121 -10.235   1.621   6.617
  947   1HB   ARG 121          2HB       ARG 121  -8.306   0.901   7.767
  948   2HB   ARG 121          1HB       ARG 121  -7.875  -0.235   6.511
  949   1HG   ARG 121          2HG       ARG 121  -6.364   1.549   6.438
  950   2HG   ARG 121          1HG       ARG 121  -7.428   1.682   5.035
  951   1HD   ARG 121          2HD       ARG 121  -7.813   3.203   7.615
  952   2HD   ARG 121          1HD       ARG 121  -6.989   3.840   6.202
  953    HE   ARG 121           HE       ARG 121  -9.519   2.967   5.413
  954   1HH1  ARG 121          1HH1      ARG 121  -8.061   5.449   7.373
  955   2HH1  ARG 121          2HH1      ARG 121  -9.348   6.581   7.121
  956   1HH2  ARG 121          1HH2      ARG 121 -11.215   4.449   5.075
  957   2HH2  ARG 121          2HH2      ARG 121 -11.140   6.013   5.816
  958    H    GLY 122           H        GLY 122 -11.228   2.222   4.682
  959   1HA   GLY 122          2HA       GLY 122 -10.904   1.036   2.142
  960   2HA   GLY 122          1HA       GLY 122 -11.394   2.692   2.429
  961    H    PHE 123           H        PHE 123  -8.829   3.250   3.893
  962    HA   PHE 123           HA       PHE 123  -7.387   4.498   1.963
  963   1HB   PHE 123          2HB       PHE 123  -6.722   5.003   4.140
  964   2HB   PHE 123          1HB       PHE 123  -6.562   3.311   4.585
  965    HD1  PHE 123           1HD      PHE 123  -4.424   2.875   5.228
  966    HD2  PHE 123           2HD      PHE 123  -5.066   5.360   1.834
  967    HE1  PHE 123           1HE      PHE 123  -1.995   2.982   4.855
  968    HE2  PHE 123           2HE      PHE 123  -2.636   5.467   1.453
  969    HZ   PHE 123           HZ       PHE 123  -1.100   4.278   2.963
  970    H    MET 124           H        MET 124  -7.141   1.213   3.033
  971    HA   MET 124           HA       MET 124  -5.066   0.687   1.036
  972   1HB   MET 124          2HB       MET 124  -6.251  -1.091   3.177
  973   2HB   MET 124          1HB       MET 124  -4.938  -1.554   2.097
  974   1HG   MET 124          2HG       MET 124  -3.549   0.247   2.987
  975   2HG   MET 124          1HG       MET 124  -4.866   0.739   4.051
  976   1HE   MET 124          1HE       MET 124  -3.232   0.113   6.667
  977   2HE   MET 124          2HE       MET 124  -2.465   0.669   5.179
  978   3HE   MET 124          3HE       MET 124  -1.831  -0.744   6.024
  979    H    LEU 125           H        LEU 125  -8.351  -0.487   1.751
  980    HA   LEU 125           HA       LEU 125  -8.352  -2.178  -0.583
  981   1HB   LEU 125          2HB       LEU 125 -10.596  -1.422   1.269
  982   2HB   LEU 125          1HB       LEU 125 -10.659  -2.669   0.046
  983    HG   LEU 125           HG       LEU 125  -9.008  -2.664   2.560
  984   1HD1  LEU 125          1HD1      LEU 125 -11.023  -3.435   3.237
  985   2HD1  LEU 125          2HD1      LEU 125 -10.367  -4.945   2.603
  986   3HD1  LEU 125          3HD1      LEU 125 -11.479  -3.988   1.625
  987   1HD2  LEU 125          1HD2      LEU 125  -7.998  -4.693   1.901
  988   2HD2  LEU 125          2HD2      LEU 125  -7.795  -3.591   0.540
  989   3HD2  LEU 125          3HD2      LEU 125  -9.039  -4.841   0.486
  990    H    TRP 126           H        TRP 126 -10.091   0.835   0.314
  991    HA   TRP 126           HA       TRP 126 -11.741   1.128  -1.782
  992   1HB   TRP 126          2HB       TRP 126 -12.053   2.844  -0.387
  993   2HB   TRP 126          1HB       TRP 126 -10.437   2.759   0.213
  994    HD1  TRP 126           HD       TRP 126 -12.014   4.183  -2.998
  995    HE1  TRP 126           1HE      TRP 126 -10.732   6.366  -3.557
  996    HE3  TRP 126           3HE      TRP 126  -9.017   4.120   0.911
  997    HZ2  TRP 126           2HZ      TRP 126  -8.605   7.843  -2.347
  998    HZ3  TRP 126           3HZ      TRP 126  -7.305   5.915   1.221
  999    HH2  TRP 126           HH       TRP 126  -7.125   7.749  -0.389
 1000    HA   PRO 127           HA       PRO 127  -8.322   3.175  -4.613
 1001   1HB   PRO 127          2HB       PRO 127  -5.833   2.295  -3.243
 1002   2HB   PRO 127          1HB       PRO 127  -6.210   3.854  -3.976
 1003   1HG   PRO 127          2HG       PRO 127  -6.176   3.679  -1.369
 1004   2HG   PRO 127          1HG       PRO 127  -7.503   4.538  -2.149
 1005   1HD   PRO 127          2HD       PRO 127  -7.449   1.723  -1.117
 1006   2HD   PRO 127          1HD       PRO 127  -8.620   2.987  -0.781
 1007    H    LEU 128           H        LEU 128  -7.246   0.265  -2.922
 1008    HA   LEU 128           HA       LEU 128  -5.979  -1.112  -4.959
 1009   1HB   LEU 128          2HB       LEU 128  -6.725  -1.614  -2.360
 1010   2HB   LEU 128          1HB       LEU 128  -7.696  -2.755  -3.258
 1011    HG   LEU 128           HG       LEU 128  -5.568  -3.540  -4.353
 1012   1HD1  LEU 128          1HD1      LEU 128  -4.511  -1.348  -2.975
 1013   2HD1  LEU 128          2HD1      LEU 128  -3.609  -2.601  -3.825
 1014   3HD1  LEU 128          3HD1      LEU 128  -3.933  -2.764  -2.100
 1015   1HD2  LEU 128          1HD2      LEU 128  -5.024  -4.334  -1.688
 1016   2HD2  LEU 128          2HD2      LEU 128  -5.916  -5.211  -2.933
 1017   3HD2  LEU 128          3HD2      LEU 128  -6.769  -4.123  -1.838
 1018    H    PHE 129           H        PHE 129  -9.344  -0.649  -4.308
 1019    HA   PHE 129           HA       PHE 129 -10.572  -2.664  -5.770
 1020   1HB   PHE 129          2HB       PHE 129 -11.820  -1.158  -4.341
 1021   2HB   PHE 129          1HB       PHE 129 -11.400   0.226  -5.338
 1022    HD1  PHE 129           1HD      PHE 129 -12.932   0.968  -6.895
 1023    HD2  PHE 129           2HD      PHE 129 -13.110  -3.071  -5.574
 1024    HE1  PHE 129           1HE      PHE 129 -14.997   0.639  -8.191
 1025    HE2  PHE 129           2HE      PHE 129 -15.174  -3.409  -6.869
 1026    HZ   PHE 129           HZ       PHE 129 -16.109  -1.521  -8.207
 1027    H    GLU 130           H        GLU 130  -8.629  -0.099  -6.958
 1028    HA   GLU 130           HA       GLU 130  -9.802  -0.319  -9.633
 1029   1HB   GLU 130          2HB       GLU 130  -9.620   1.956  -8.701
 1030   2HB   GLU 130          1HB       GLU 130  -7.877   1.758  -8.581
 1031   1HG   GLU 130          2HG       GLU 130  -7.633   1.683 -10.934
 1032   2HG   GLU 130          1HG       GLU 130  -9.373   1.544 -11.176
 1033    H    ILE 131           H        ILE 131  -6.856  -0.873  -7.817
 1034    HA   ILE 131           HA       ILE 131  -5.181  -1.236 -10.102
 1035    HB   ILE 131           HB       ILE 131  -3.491  -1.850  -8.638
 1036   1HG1  ILE 131          2HG1      ILE 131  -5.536  -2.714  -6.566
 1037   2HG1  ILE 131          1HG1      ILE 131  -4.688  -3.818  -7.644
 1038   1HG2  ILE 131          1HG2      ILE 131  -5.468  -0.169  -7.123
 1039   2HG2  ILE 131          2HG2      ILE 131  -4.122   0.372  -8.129
 1040   3HG2  ILE 131          3HG2      ILE 131  -3.807  -0.430  -6.589
 1041   1HD1  ILE 131          1HD1      ILE 131  -3.175  -1.978  -5.847
 1042   2HD1  ILE 131          2HD1      ILE 131  -2.662  -3.496  -6.581
 1043   3HD1  ILE 131          3HD1      ILE 131  -3.824  -3.505  -5.254
 1044    H    ALA 132           H        ALA 132  -7.296  -3.217  -8.258
 1045    HA   ALA 132           HA       ALA 132  -7.872  -5.104 -10.107
 1046   1HB   ALA 132          1HB       ALA 132  -6.417  -7.052  -8.957
 1047   2HB   ALA 132          2HB       ALA 132  -5.288  -5.705  -8.804
 1048   3HB   ALA 132          3HB       ALA 132  -5.891  -6.173 -10.394
 1049    HA   PRO 133           HA       PRO 133 -10.092  -5.729  -6.178
 1050   1HB   PRO 133          2HB       PRO 133 -12.457  -4.863  -6.866
 1051   2HB   PRO 133          1HB       PRO 133 -11.109  -3.703  -6.770
 1052   1HG   PRO 133          2HG       PRO 133 -12.286  -5.036  -9.200
 1053   2HG   PRO 133          1HG       PRO 133 -11.881  -3.327  -8.961
 1054   1HD   PRO 133          2HD       PRO 133 -10.229  -5.213 -10.178
 1055   2HD   PRO 133          1HD       PRO 133  -9.684  -3.670  -9.492
 1056    H    GLU 134           H        GLU 134  -9.721  -7.482  -8.775
 1057    HA   GLU 134           HA       GLU 134 -12.123  -9.146  -8.542
 1058   1HB   GLU 134          2HB       GLU 134 -11.204 -10.360 -10.488
 1059   2HB   GLU 134          1HB       GLU 134 -11.371  -8.641 -10.818
 1060   1HG   GLU 134          2HG       GLU 134  -8.976  -8.341 -10.391
 1061   2HG   GLU 134          1HG       GLU 134  -8.822 -10.073 -10.103
 1062    H    LEU 135           H        LEU 135  -9.919  -8.700  -6.628
 1063    HA   LEU 135           HA       LEU 135  -8.565 -11.246  -6.410
 1064   1HB   LEU 135          2HB       LEU 135  -7.674  -8.862  -5.945
 1065   2HB   LEU 135          1HB       LEU 135  -8.532  -8.998  -4.430
 1066    HG   LEU 135           HG       LEU 135  -6.074  -9.511  -4.390
 1067   1HD1  LEU 135          1HD1      LEU 135  -6.379 -10.823  -2.569
 1068   2HD1  LEU 135          2HD1      LEU 135  -7.422 -11.956  -3.428
 1069   3HD1  LEU 135          3HD1      LEU 135  -8.073 -10.422  -2.849
 1070   1HD2  LEU 135          1HD2      LEU 135  -6.891 -12.143  -5.586
 1071   2HD2  LEU 135          2HD2      LEU 135  -5.268 -11.586  -5.184
 1072   3HD2  LEU 135          3HD2      LEU 135  -6.147 -10.846  -6.520
 1073    H    VAL 136           H        VAL 136  -8.897 -12.741  -4.794
 1074    HA   VAL 136           HA       VAL 136 -11.011 -12.225  -2.851
 1075    HB   VAL 136           HB       VAL 136 -12.342 -13.313  -4.409
 1076   1HG1  VAL 136          1HG1      VAL 136  -9.839 -14.555  -5.220
 1077   2HG1  VAL 136          2HG1      VAL 136 -11.294 -14.229  -6.161
 1078   3HG1  VAL 136          3HG1      VAL 136 -11.181 -15.699  -5.193
 1079   1HG2  VAL 136          1HG2      VAL 136 -13.110 -15.088  -3.233
 1080   2HG2  VAL 136          2HG2      VAL 136 -11.944 -14.513  -2.043
 1081   3HG2  VAL 136          3HG2      VAL 136 -11.523 -15.844  -3.120
 1082    H    PHE 137           H        PHE 137 -10.510 -12.889  -0.894
 1083    HA   PHE 137           HA       PHE 137  -8.001 -14.005  -0.289
 1084   1HB   PHE 137          2HB       PHE 137 -10.509 -13.573   1.330
 1085   2HB   PHE 137          1HB       PHE 137  -9.052 -14.251   2.036
 1086    HD1  PHE 137           1HD      PHE 137  -9.681 -11.438  -0.329
 1087    HD2  PHE 137           2HD      PHE 137  -8.029 -12.688   3.390
 1088    HE1  PHE 137           1HE      PHE 137  -8.834  -9.162   0.057
 1089    HE2  PHE 137           2HE      PHE 137  -7.182 -10.413   3.782
 1090    HZ   PHE 137           HZ       PHE 137  -7.582  -8.652   2.154
 1091    HA   PRO 138           HA       PRO 138  -8.425 -18.393  -0.489
 1092   1HB   PRO 138          2HB       PRO 138  -7.748 -19.087   2.138
 1093   2HB   PRO 138          1HB       PRO 138  -6.617 -18.903   0.796
 1094   1HG   PRO 138          2HG       PRO 138  -7.313 -16.989   2.971
 1095   2HG   PRO 138          1HG       PRO 138  -5.757 -17.261   2.164
 1096   1HD   PRO 138          2HD       PRO 138  -7.270 -15.119   1.607
 1097   2HD   PRO 138          1HD       PRO 138  -6.333 -15.944   0.343
 1098    H    ASP 139           H        ASP 139  -9.919 -16.564   2.031
 1099    HA   ASP 139           HA       ASP 139 -11.651 -18.550   3.075
 1100   1HB   ASP 139          2HB       ASP 139 -10.990 -16.310   4.126
 1101   2HB   ASP 139          1HB       ASP 139 -12.176 -15.580   3.054
 1102    H    GLY 140           H        GLY 140 -12.432 -15.711   1.054
 1103   1HA   GLY 140          2HA       GLY 140 -13.739 -16.824  -1.028
 1104   2HA   GLY 140          1HA       GLY 140 -14.936 -16.915   0.251
 1105    H    GLU 141           H        GLU 141 -13.259 -14.240   1.031
 1106    HA   GLU 141           HA       GLU 141 -15.266 -12.512  -0.147
 1107   1HB   GLU 141          2HB       GLU 141 -14.262 -10.750   1.250
 1108   2HB   GLU 141          1HB       GLU 141 -14.758 -12.154   2.183
 1109   1HG   GLU 141          2HG       GLU 141 -11.941 -11.877   1.247
 1110   2HG   GLU 141          1HG       GLU 141 -12.498 -11.022   2.685
 1111    H    MET 142           H        MET 142 -14.485 -10.304  -0.881
 1112    HA   MET 142           HA       MET 142 -12.082 -10.546  -2.568
 1113   1HB   MET 142          2HB       MET 142 -14.754  -9.407  -3.390
 1114   2HB   MET 142          1HB       MET 142 -13.288  -9.340  -4.360
 1115   1HG   MET 142          2HG       MET 142 -13.248 -11.788  -4.448
 1116   2HG   MET 142          1HG       MET 142 -14.736 -11.838  -3.504
 1117   1HE   MET 142          1HE       MET 142 -15.311 -13.460  -5.294
 1118   2HE   MET 142          2HE       MET 142 -14.486 -13.149  -6.822
 1119   3HE   MET 142          3HE       MET 142 -16.239 -12.995  -6.720
 1120    H    LEU 143           H        LEU 143 -11.539  -8.277  -3.551
 1121    HA   LEU 143           HA       LEU 143 -11.013  -6.556  -1.378
 1122   1HB   LEU 143          2HB       LEU 143  -9.489  -6.708  -3.214
 1123   2HB   LEU 143          1HB       LEU 143 -10.745  -6.333  -4.372
 1124    HG   LEU 143           HG       LEU 143 -10.837  -4.031  -3.522
 1125   1HD1  LEU 143          1HD1      LEU 143 -10.099  -4.534  -1.217
 1126   2HD1  LEU 143          2HD1      LEU 143  -9.192  -3.218  -1.962
 1127   3HD1  LEU 143          3HD1      LEU 143  -8.471  -4.823  -1.832
 1128   1HD2  LEU 143          1HD2      LEU 143  -7.999  -4.173  -4.014
 1129   2HD2  LEU 143          2HD2      LEU 143  -9.287  -3.526  -5.028
 1130   3HD2  LEU 143          3HD2      LEU 143  -8.894  -5.244  -5.091
 1131    H    ARG 144           H        ARG 144 -13.559  -6.872  -3.666
 1132    HA   ARG 144           HA       ARG 144 -14.630  -4.217  -3.231
 1133   1HB   ARG 144          2HB       ARG 144 -14.838  -5.379  -5.422
 1134   2HB   ARG 144          1HB       ARG 144 -15.843  -6.599  -4.655
 1135   1HG   ARG 144          2HG       ARG 144 -16.578  -3.687  -4.645
 1136   2HG   ARG 144          1HG       ARG 144 -17.020  -4.768  -5.967
 1137   1HD   ARG 144          2HD       ARG 144 -17.768  -5.132  -3.068
 1138   2HD   ARG 144          1HD       ARG 144 -18.833  -4.529  -4.333
 1139    HE   ARG 144           HE       ARG 144 -18.307  -7.229  -3.746
 1140   1HH1  ARG 144          1HH1      ARG 144 -18.705  -5.086  -6.467
 1141   2HH1  ARG 144          2HH1      ARG 144 -19.241  -6.337  -7.535
 1142   1HH2  ARG 144          1HH2      ARG 144 -19.011  -8.880  -5.148
 1143   2HH2  ARG 144          2HH2      ARG 144 -19.415  -8.493  -6.787
 1144    H    GLN 145           H        GLN 145 -15.352  -7.557  -2.338
 1145    HA   GLN 145           HA       GLN 145 -17.747  -7.120  -0.976
 1146   1HB   GLN 145          2HB       GLN 145 -17.036  -9.349  -1.560
 1147   2HB   GLN 145          1HB       GLN 145 -15.605  -9.206  -0.553
 1148   1HG   GLN 145          2HG       GLN 145 -18.296  -8.940   0.696
 1149   2HG   GLN 145          1HG       GLN 145 -17.696 -10.539   0.263
 1150   1HE2  GLN 145          1HE2      GLN 145 -15.067  -8.675   0.922
 1151   2HE2  GLN 145          2HE2      GLN 145 -14.831  -9.078   2.576
 1152    H    ILE 146           H        ILE 146 -14.398  -7.078   0.252
 1153    HA   ILE 146           HA       ILE 146 -15.169  -6.518   2.936
 1154    HB   ILE 146           HB       ILE 146 -12.494  -5.817   1.727
 1155   1HG1  ILE 146          2HG1      ILE 146 -13.337  -8.471   2.917
 1156   2HG1  ILE 146          1HG1      ILE 146 -13.084  -8.177   1.200
 1157   1HG2  ILE 146          1HG2      ILE 146 -13.107  -4.997   4.017
 1158   2HG2  ILE 146          2HG2      ILE 146 -11.670  -6.017   3.957
 1159   3HG2  ILE 146          3HG2      ILE 146 -13.200  -6.682   4.526
 1160   1HD1  ILE 146          1HD1      ILE 146 -11.221  -9.163   2.896
 1161   2HD1  ILE 146          2HD1      ILE 146 -10.819  -7.446   2.903
 1162   3HD1  ILE 146          3HD1      ILE 146 -10.862  -8.336   1.380
 1163    H    LEU 147           H        LEU 147 -14.760  -4.646   0.086
 1164    HA   LEU 147           HA       LEU 147 -14.442  -2.129   1.423
 1165   1HB   LEU 147          2HB       LEU 147 -14.729  -3.033  -1.388
 1166   2HB   LEU 147          1HB       LEU 147 -15.147  -1.371  -1.023
 1167    HG   LEU 147           HG       LEU 147 -12.488  -2.650  -0.396
 1168   1HD1  LEU 147          1HD1      LEU 147 -11.991  -0.696  -2.207
 1169   2HD1  LEU 147          2HD1      LEU 147 -13.534  -1.322  -2.789
 1170   3HD1  LEU 147          3HD1      LEU 147 -12.158  -2.408  -2.599
 1171   1HD2  LEU 147          1HD2      LEU 147 -12.601   0.238  -0.493
 1172   2HD2  LEU 147          2HD2      LEU 147 -11.987  -0.823   0.774
 1173   3HD2  LEU 147          3HD2      LEU 147 -13.703  -0.416   0.720
 1174    H    HIS 148           H        HIS 148 -17.086  -4.101   0.361
 1175    HA   HIS 148           HA       HIS 148 -19.110  -2.135   0.273
 1176   1HB   HIS 148          2HB       HIS 148 -19.330  -4.529  -0.510
 1177   2HB   HIS 148          1HB       HIS 148 -19.402  -5.014   1.178
 1178    HD1  HIS 148           1HD      HIS 148 -21.788  -5.955   0.070
 1179    HD2  HIS 148           2HD      HIS 148 -21.465  -1.889   0.870
 1180    HE1  HIS 148           1HE      HIS 148 -24.150  -5.093   0.146
 1181    HE2  HIS 148           2HE      HIS 148 -23.932  -2.638   0.665
 1182    H    THR 149           H        THR 149 -17.253  -3.526   2.744
 1183    HA   THR 149           HA       THR 149 -19.035  -2.833   4.919
 1184    HB   THR 149           HB       THR 149 -16.293  -4.093   4.775
 1185    HG1  THR 149           1HG      THR 149 -18.553  -5.223   5.970
 1186   1HG2  THR 149          1HG2      THR 149 -16.362  -4.470   7.154
 1187   2HG2  THR 149          2HG2      THR 149 -17.876  -3.575   7.283
 1188   3HG2  THR 149          3HG2      THR 149 -16.393  -2.738   6.824
 1189    H    ARG 150           H        ARG 150 -16.137  -1.601   3.348
 1190    HA   ARG 150           HA       ARG 150 -15.803   0.501   5.350
 1191   1HB   ARG 150          2HB       ARG 150 -14.287  -0.074   2.796
 1192   2HB   ARG 150          1HB       ARG 150 -13.865   1.174   3.961
 1193   1HG   ARG 150          2HG       ARG 150 -13.942  -1.777   4.539
 1194   2HG   ARG 150          1HG       ARG 150 -12.493  -0.852   4.150
 1195   1HD   ARG 150          2HD       ARG 150 -12.574  -1.058   6.516
 1196   2HD   ARG 150          1HD       ARG 150 -13.011   0.603   6.130
 1197    HE   ARG 150           HE       ARG 150 -15.356  -0.918   6.326
 1198   1HH1  ARG 150          1HH1      ARG 150 -12.783   0.286   8.345
 1199   2HH1  ARG 150          2HH1      ARG 150 -13.764   0.362   9.770
 1200   1HH2  ARG 150          1HH2      ARG 150 -16.655  -0.817   8.195
 1201   2HH2  ARG 150          2HH2      ARG 150 -15.965  -0.265   9.685
 1202    H    ALA 151           H        ALA 151 -15.860   0.513   1.819
 1203    HA   ALA 151           HA       ALA 151 -17.774   1.546   0.731
 1204   1HB   ALA 151          1HB       ALA 151 -17.225   3.670   2.723
 1205   2HB   ALA 151          2HB       ALA 151 -18.764   2.966   2.227
 1206   3HB   ALA 151          3HB       ALA 151 -17.930   4.103   1.166
 1207    H    PHE 152           H        PHE 152 -14.747   1.343   0.687
 1208    HA   PHE 152           HA       PHE 152 -13.072   2.107  -0.614
 1209   1HB   PHE 152          2HB       PHE 152 -13.791   1.856  -3.063
 1210   2HB   PHE 152          1HB       PHE 152 -13.772   0.474  -1.982
 1211    HD1  PHE 152           1HD      PHE 152 -15.624   2.208  -4.372
 1212    HD2  PHE 152           2HD      PHE 152 -16.084  -0.018  -0.768
 1213    HE1  PHE 152           1HE      PHE 152 -17.990   1.784  -4.929
 1214    HE2  PHE 152           2HE      PHE 152 -18.434  -0.459  -1.332
 1215    HZ   PHE 152           HZ       PHE 152 -19.367   0.299  -3.396
 1216    H    ASP 153           H        ASP 153 -14.745   3.287  -3.048
 1217    HA   ASP 153           HA       ASP 153 -13.680   5.433  -3.891
 1218   1HB   ASP 153          2HB       ASP 153 -15.930   4.826  -4.635
 1219   2HB   ASP 153          1HB       ASP 153 -16.614   5.522  -3.169
 1220    H    LYS 154           H        LYS 154 -15.468   5.526  -0.889
 1221    HA   LYS 154           HA       LYS 154 -15.781   7.720   0.210
 1222   1HB   LYS 154          2HB       LYS 154 -13.665   5.910   1.287
 1223   2HB   LYS 154          1HB       LYS 154 -14.348   7.256   2.194
 1224   1HG   LYS 154          2HG       LYS 154 -16.591   6.172   1.897
 1225   2HG   LYS 154          1HG       LYS 154 -15.740   4.773   1.242
 1226   1HD   LYS 154          2HD       LYS 154 -15.361   5.959   3.992
 1227   2HD   LYS 154          1HD       LYS 154 -16.211   4.461   3.615
 1228   1HE   LYS 154          2HE       LYS 154 -13.278   5.013   3.163
 1229   2HE   LYS 154          1HE       LYS 154 -13.964   3.995   4.429
 1230   1HZ   LYS 154          1HZ       LYS 154 -13.427   2.444   2.866
 1231   2HZ   LYS 154          2HZ       LYS 154 -13.718   3.471   1.556
 1232   3HZ   LYS 154          3HZ       LYS 154 -15.015   2.780   2.391
 1233    H    LEU 155           H        LEU 155 -12.607   7.231   1.087
 1234    HA   LEU 155           HA       LEU 155 -11.719   9.695   1.440
 1235   1HB   LEU 155          2HB       LEU 155  -9.992   7.636   0.078
 1236   2HB   LEU 155          1HB       LEU 155  -9.450   8.961   1.083
 1237    HG   LEU 155           HG       LEU 155 -10.221   6.251   1.788
 1238   1HD1  LEU 155          1HD1      LEU 155  -9.041   8.208   3.694
 1239   2HD1  LEU 155          2HD1      LEU 155  -8.124   7.751   2.256
 1240   3HD1  LEU 155          3HD1      LEU 155  -8.643   6.515   3.404
 1241   1HD2  LEU 155          1HD2      LEU 155 -11.023   7.574   4.122
 1242   2HD2  LEU 155          2HD2      LEU 155 -12.046   6.617   3.054
 1243   3HD2  LEU 155          3HD2      LEU 155 -11.932   8.367   2.838
 1244    H    ASN 156           H        ASN 156 -12.414  11.270   0.142
 1245    HA   ASN 156           HA       ASN 156 -12.527  11.283  -2.627
 1246   1HB   ASN 156          2HB       ASN 156 -12.705  13.721  -2.444
 1247   2HB   ASN 156          1HB       ASN 156 -13.679  12.906  -1.224
 1248   1HD2  ASN 156          1HD2      ASN 156 -10.662  12.470  -0.137
 1249   2HD2  ASN 156          2HD2      ASN 156 -10.482  13.872   0.850
 1250    H    LYS 157           H        LYS 157 -11.280  12.951  -4.007
 1251    HA   LYS 157           HA       LYS 157  -8.531  12.120  -3.993
 1252   1HB   LYS 157          2HB       LYS 157 -10.140  13.846  -5.861
 1253   2HB   LYS 157          1HB       LYS 157  -8.425  13.540  -6.091
 1254   1HG   LYS 157          2HG       LYS 157  -8.829  11.177  -6.326
 1255   2HG   LYS 157          1HG       LYS 157 -10.537  11.401  -5.959
 1256   1HD   LYS 157          2HD       LYS 157 -10.211  11.157  -8.355
 1257   2HD   LYS 157          1HD       LYS 157 -10.781  12.784  -7.974
 1258   1HE   LYS 157          2HE       LYS 157  -8.472  13.610  -8.118
 1259   2HE   LYS 157          1HE       LYS 157  -7.923  11.986  -8.530
 1260   1HZ   LYS 157          1HZ       LYS 157  -9.893  12.461 -10.332
 1261   2HZ   LYS 157          2HZ       LYS 157  -8.235  12.621 -10.628
 1262   3HZ   LYS 157          3HZ       LYS 157  -9.151  13.975 -10.193
 1263    H    TRP 158           H        TRP 158  -6.717  13.514  -4.148
 1264    HA   TRP 158           HA       TRP 158  -6.300  15.296  -2.148
 1265   1HB   TRP 158          2HB       TRP 158  -4.498  14.363  -3.507
 1266   2HB   TRP 158          1HB       TRP 158  -5.031  15.302  -4.894
 1267    HD1  TRP 158           HD       TRP 158  -3.620  17.382  -5.289
 1268    HE1  TRP 158           1HE      TRP 158  -2.222  18.978  -3.833
 1269    HE3  TRP 158           3HE      TRP 158  -4.488  15.276  -0.716
 1270    HZ2  TRP 158           2HZ      TRP 158  -1.570  19.301  -1.107
 1271    HZ3  TRP 158           3HZ      TRP 158  -3.438  16.288   1.265
 1272    HH2  TRP 158           HH       TRP 158  -2.009  18.257   1.073
  Start of MODEL   21
    1   1H    THR   1          1HT       THR   1  -1.064 -13.990  -9.151
    2   2H    THR   1          2HT       THR   1   0.528 -14.558  -9.199
    3   3H    THR   1          3HT       THR   1   0.152 -13.043  -9.847
    4    HA   THR   1           HA       THR   1  -0.686 -13.182  -7.151
    5    HB   THR   1           HB       THR   1   2.229 -13.752  -7.734
    6    HG1  THR   1           1HG      THR   1   1.614 -15.724  -7.462
    7   1HG2  THR   1          1HG2      THR   1   1.059 -12.444  -5.491
    8   2HG2  THR   1          2HG2      THR   1   2.746 -12.866  -5.783
    9   3HG2  THR   1          3HG2      THR   1   1.671 -14.023  -4.994
   10    H    VAL   2           H        VAL   2  -1.164 -11.096  -6.982
   11    HA   VAL   2           HA       VAL   2   0.718  -9.117  -8.093
   12    HB   VAL   2           HB       VAL   2  -2.244  -8.832  -7.578
   13   1HG1  VAL   2          1HG1      VAL   2  -1.132  -6.746  -7.124
   14   2HG1  VAL   2          2HG1      VAL   2  -1.984  -6.627  -8.664
   15   3HG1  VAL   2          3HG1      VAL   2  -0.235  -6.853  -8.639
   16   1HG2  VAL   2          1HG2      VAL   2  -0.795  -8.697 -10.206
   17   2HG2  VAL   2          2HG2      VAL   2  -2.533  -8.778  -9.921
   18   3HG2  VAL   2          3HG2      VAL   2  -1.518 -10.180  -9.581
   19    H    ALA   3           H        ALA   3   1.362  -7.388  -6.841
   20    HA   ALA   3           HA       ALA   3   0.975  -7.724  -3.971
   21   1HB   ALA   3          1HB       ALA   3   3.118  -6.763  -5.658
   22   2HB   ALA   3          2HB       ALA   3   3.159  -7.321  -3.985
   23   3HB   ALA   3          3HB       ALA   3   2.760  -5.641  -4.344
   24    H    TYR   4           H        TYR   4  -0.915  -6.828  -3.433
   25    HA   TYR   4           HA       TYR   4  -1.820  -4.279  -4.441
   26   1HB   TYR   4          2HB       TYR   4  -2.810  -6.134  -2.272
   27   2HB   TYR   4          1HB       TYR   4  -3.612  -4.635  -2.712
   28    HD1  TYR   4           1HD      TYR   4  -2.032  -6.908  -5.169
   29    HD2  TYR   4           2HD      TYR   4  -5.674  -5.605  -3.405
   30    HE1  TYR   4           1HE      TYR   4  -3.298  -8.100  -6.906
   31    HE2  TYR   4           2HE      TYR   4  -6.942  -6.790  -5.136
   32    HH   TYR   4           HH       TYR   4  -5.460  -9.004  -7.315
   33    H    ILE   5           H        ILE   5  -0.191  -2.780  -3.823
   34    HA   ILE   5           HA       ILE   5   0.268  -2.498  -0.925
   35    HB   ILE   5           HB       ILE   5   1.989  -1.251  -3.042
   36   1HG1  ILE   5          2HG1      ILE   5   2.274  -4.039  -1.895
   37   2HG1  ILE   5          1HG1      ILE   5   1.804  -3.656  -3.549
   38   1HG2  ILE   5          1HG2      ILE   5   2.137  -1.764  -0.129
   39   2HG2  ILE   5          2HG2      ILE   5   2.719  -0.392  -1.073
   40   3HG2  ILE   5          3HG2      ILE   5   3.638  -1.897  -1.048
   41   1HD1  ILE   5          1HD1      ILE   5   4.140  -4.313  -3.407
   42   2HD1  ILE   5          2HD1      ILE   5   4.450  -2.995  -2.278
   43   3HD1  ILE   5          3HD1      ILE   5   3.979  -2.640  -3.941
   44    H    ALA   6           H        ALA   6   0.645  -0.323  -0.091
   45    HA   ALA   6           HA       ALA   6  -0.932   1.735  -1.514
   46   1HB   ALA   6          1HB       ALA   6  -0.986   0.889   1.344
   47   2HB   ALA   6          2HB       ALA   6  -2.317   1.305   0.267
   48   3HB   ALA   6          3HB       ALA   6  -1.301   2.577   0.946
   49    H    ILE   7           H        ILE   7  -0.269   3.955  -1.133
   50    HA   ILE   7           HA       ILE   7   2.453   4.255  -0.061
   51    HB   ILE   7           HB       ILE   7   1.534   5.384  -2.709
   52   1HG1  ILE   7          2HG1      ILE   7   3.629   3.270  -2.170
   53   2HG1  ILE   7          1HG1      ILE   7   1.977   2.905  -2.657
   54   1HG2  ILE   7          1HG2      ILE   7   3.648   6.132  -0.924
   55   2HG2  ILE   7          2HG2      ILE   7   3.173   6.862  -2.458
   56   3HG2  ILE   7          3HG2      ILE   7   4.326   5.527  -2.436
   57   1HD1  ILE   7          1HD1      ILE   7   4.229   3.985  -4.234
   58   2HD1  ILE   7          2HD1      ILE   7   2.611   4.563  -4.630
   59   3HD1  ILE   7          3HD1      ILE   7   2.968   2.836  -4.684
   60    H    GLY   8           H        GLY   8   2.969   6.324   0.763
   61   1HA   GLY   8          2HA       GLY   8   1.011   8.459   0.603
   62   2HA   GLY   8          1HA       GLY   8   1.144   7.710   2.187
   63    H    SER   9           H        SER   9   1.771  10.463   1.350
   64    HA   SER   9           HA       SER   9   4.373  10.632   2.606
   65   1HB   SER   9          2HB       SER   9   5.198  12.128   0.673
   66   2HB   SER   9          1HB       SER   9   5.218  10.382   0.433
   67    HG   SER   9           HG       SER   9   3.093  10.698  -0.570
   68    H    ASN  10           H        ASN  10   4.850  12.668   3.471
   69    HA   ASN  10           HA       ASN  10   3.026  14.878   2.978
   70   1HB   ASN  10          2HB       ASN  10   3.215  13.452   5.620
   71   2HB   ASN  10          1HB       ASN  10   2.744  15.144   5.526
   72   1HD2  ASN  10          1HD2      ASN  10   1.482  12.289   5.994
   73   2HD2  ASN  10          2HD2      ASN  10  -0.041  12.447   5.184
   74    H    LEU  11           H        LEU  11   5.716  13.710   4.990
   75    HA   LEU  11           HA       LEU  11   6.666  16.415   5.377
   76   1HB   LEU  11          2HB       LEU  11   7.982  13.854   6.256
   77   2HB   LEU  11          1HB       LEU  11   8.289  15.467   6.866
   78    HG   LEU  11           HG       LEU  11   5.824  13.787   7.290
   79   1HD1  LEU  11          1HD1      LEU  11   7.089  14.948   9.611
   80   2HD1  LEU  11          2HD1      LEU  11   8.215  13.955   8.688
   81   3HD1  LEU  11          3HD1      LEU  11   6.696  13.264   9.261
   82   1HD2  LEU  11          1HD2      LEU  11   6.301  16.706   7.799
   83   2HD2  LEU  11          2HD2      LEU  11   5.162  15.776   8.771
   84   3HD2  LEU  11          3HD2      LEU  11   4.919  15.926   7.031
   85    H    ALA  12           H        ALA  12   6.751  15.541   2.632
   86    HA   ALA  12           HA       ALA  12   9.244  16.492   1.870
   87   1HB   ALA  12          1HB       ALA  12  10.618  14.778   2.244
   88   2HB   ALA  12          2HB       ALA  12   9.824  13.983   0.884
   89   3HB   ALA  12          3HB       ALA  12   9.280  13.664   2.531
   90    H    SER  13           H        SER  13   7.171  17.341   0.746
   91    HA   SER  13           HA       SER  13   5.855  17.531  -1.116
   92   1HB   SER  13          2HB       SER  13   8.324  16.302  -2.367
   93   2HB   SER  13          1HB       SER  13   7.056  17.157  -3.244
   94    HG   SER  13           HG       SER  13   9.178  18.185  -2.059
   95    HA   PRO  14           HA       PRO  14   4.148  13.264  -0.807
   96   1HB   PRO  14          2HB       PRO  14   1.784  14.847  -1.672
   97   2HB   PRO  14          1HB       PRO  14   1.919  13.623  -0.407
   98   1HG   PRO  14          2HG       PRO  14   1.775  16.204   0.220
   99   2HG   PRO  14          1HG       PRO  14   2.844  15.109   1.116
  100   1HD   PRO  14          2HD       PRO  14   3.523  17.138  -0.968
  101   2HD   PRO  14          1HD       PRO  14   4.420  16.676   0.493
  102    H    LEU  15           H        LEU  15   4.423  15.523  -3.383
  103    HA   LEU  15           HA       LEU  15   3.219  13.797  -5.368
  104   1HB   LEU  15          2HB       LEU  15   2.964  16.199  -5.576
  105   2HB   LEU  15          1HB       LEU  15   4.706  16.408  -5.623
  106    HG   LEU  15           HG       LEU  15   4.777  15.176  -7.768
  107   1HD1  LEU  15          1HD1      LEU  15   1.810  15.061  -7.332
  108   2HD1  LEU  15          2HD1      LEU  15   2.925  13.751  -7.726
  109   3HD1  LEU  15          3HD1      LEU  15   2.521  14.961  -8.943
  110   1HD2  LEU  15          1HD2      LEU  15   4.432  17.709  -7.504
  111   2HD2  LEU  15          2HD2      LEU  15   2.774  17.392  -8.018
  112   3HD2  LEU  15          3HD2      LEU  15   4.121  16.984  -9.081
  113    H    GLU  16           H        GLU  16   6.470  14.640  -4.297
  114    HA   GLU  16           HA       GLU  16   7.771  13.398  -6.527
  115   1HB   GLU  16          2HB       GLU  16   8.764  14.379  -3.866
  116   2HB   GLU  16          1HB       GLU  16   9.821  13.763  -5.132
  117   1HG   GLU  16          2HG       GLU  16   9.019  15.549  -6.624
  118   2HG   GLU  16          1HG       GLU  16   8.032  16.180  -5.307
  119    H    GLN  17           H        GLN  17   6.927  12.442  -3.254
  120    HA   GLN  17           HA       GLN  17   8.547  10.131  -3.160
  121   1HB   GLN  17          2HB       GLN  17   6.000  10.613  -1.620
  122   2HB   GLN  17          1HB       GLN  17   7.334   9.558  -1.172
  123   1HG   GLN  17          2HG       GLN  17   7.459  12.558  -1.382
  124   2HG   GLN  17          1HG       GLN  17   7.348  11.628   0.111
  125   1HE2  GLN  17          1HE2      GLN  17   9.176   9.600  -1.350
  126   2HE2  GLN  17          2HE2      GLN  17  10.752  10.261  -1.106
  127    H    VAL  18           H        VAL  18   5.498  10.742  -4.660
  128    HA   VAL  18           HA       VAL  18   4.730   7.956  -4.767
  129    HB   VAL  18           HB       VAL  18   3.556  10.327  -6.228
  130   1HG1  VAL  18          1HG1      VAL  18   2.826   7.442  -6.091
  131   2HG1  VAL  18          2HG1      VAL  18   2.770   8.554  -7.458
  132   3HG1  VAL  18          3HG1      VAL  18   1.541   8.643  -6.198
  133   1HG2  VAL  18          1HG2      VAL  18   1.850   9.277  -4.212
  134   2HG2  VAL  18          2HG2      VAL  18   2.565  10.885  -4.325
  135   3HG2  VAL  18          3HG2      VAL  18   3.430   9.591  -3.495
  136    H    ASN  19           H        ASN  19   6.369  10.259  -6.830
  137    HA   ASN  19           HA       ASN  19   6.156   8.861  -9.255
  138   1HB   ASN  19          2HB       ASN  19   8.299  10.736  -8.243
  139   2HB   ASN  19          1HB       ASN  19   8.238  10.123  -9.894
  140   1HD2  ASN  19          1HD2      ASN  19   7.634  12.748  -8.190
  141   2HD2  ASN  19          2HD2      ASN  19   6.291  13.407  -9.050
  142    H    ALA  20           H        ALA  20   8.895   8.914  -6.958
  143    HA   ALA  20           HA       ALA  20  10.298   6.824  -8.256
  144   1HB   ALA  20          1HB       ALA  20  10.901   7.100  -5.423
  145   2HB   ALA  20          2HB       ALA  20  10.879   8.644  -6.276
  146   3HB   ALA  20          3HB       ALA  20  11.933   7.344  -6.833
  147    H    ALA  21           H        ALA  21   7.873   6.851  -5.729
  148    HA   ALA  21           HA       ALA  21   8.261   4.313  -4.650
  149   1HB   ALA  21          1HB       ALA  21   6.433   4.786  -3.461
  150   2HB   ALA  21          2HB       ALA  21   5.451   5.022  -4.907
  151   3HB   ALA  21          3HB       ALA  21   6.442   6.342  -4.292
  152    H    LEU  22           H        LEU  22   6.091   5.259  -7.323
  153    HA   LEU  22           HA       LEU  22   5.532   2.487  -7.920
  154   1HB   LEU  22          2HB       LEU  22   4.093   3.407  -9.707
  155   2HB   LEU  22          1HB       LEU  22   3.716   4.028  -8.113
  156    HG   LEU  22           HG       LEU  22   5.150   6.063  -8.776
  157   1HD1  LEU  22          1HD1      LEU  22   4.546   6.038 -11.508
  158   2HD1  LEU  22          2HD1      LEU  22   5.333   4.497 -11.171
  159   3HD1  LEU  22          3HD1      LEU  22   6.141   6.008 -10.756
  160   1HD2  LEU  22          1HD2      LEU  22   2.647   5.800 -10.394
  161   2HD2  LEU  22          2HD2      LEU  22   3.255   7.188  -9.490
  162   3HD2  LEU  22          3HD2      LEU  22   2.585   5.801  -8.631
  163    H    LYS  23           H        LYS  23   7.655   4.976  -9.097
  164    HA   LYS  23           HA       LYS  23   8.156   3.835 -11.658
  165   1HB   LYS  23          2HB       LYS  23   8.633   6.212 -11.013
  166   2HB   LYS  23          1HB       LYS  23   9.986   5.632 -10.058
  167   1HG   LYS  23          2HG       LYS  23   9.766   5.054 -12.992
  168   2HG   LYS  23          1HG       LYS  23  10.464   6.556 -12.389
  169   1HD   LYS  23          2HD       LYS  23  11.434   3.813 -11.590
  170   2HD   LYS  23          1HD       LYS  23  12.120   4.746 -12.918
  171   1HE   LYS  23          2HE       LYS  23  13.482   5.065 -10.969
  172   2HE   LYS  23          1HE       LYS  23  12.627   6.566 -11.310
  173   1HZ   LYS  23          1HZ       LYS  23  12.740   5.537  -8.901
  174   2HZ   LYS  23          2HZ       LYS  23  11.376   4.698  -9.446
  175   3HZ   LYS  23          3HZ       LYS  23  11.380   6.389  -9.442
  176    H    ALA  24           H        ALA  24   9.653   3.473  -8.489
  177    HA   ALA  24           HA       ALA  24  11.924   2.028  -9.256
  178   1HB   ALA  24          1HB       ALA  24  12.308   2.286  -7.087
  179   2HB   ALA  24          2HB       ALA  24  11.095   1.049  -6.747
  180   3HB   ALA  24          3HB       ALA  24  10.627   2.749  -6.816
  181    H    LEU  25           H        LEU  25   8.605   1.099  -9.087
  182    HA   LEU  25           HA       LEU  25   8.901  -1.678  -8.722
  183   1HB   LEU  25          2HB       LEU  25   6.748  -0.197 -10.240
  184   2HB   LEU  25          1HB       LEU  25   6.645  -1.852  -9.674
  185    HG   LEU  25           HG       LEU  25   6.861   0.583  -7.902
  186   1HD1  LEU  25          1HD1      LEU  25   4.515  -0.193  -7.262
  187   2HD1  LEU  25          2HD1      LEU  25   4.548  -1.122  -8.760
  188   3HD1  LEU  25          3HD1      LEU  25   4.706   0.633  -8.808
  189   1HD2  LEU  25          1HD2      LEU  25   6.839  -2.354  -7.370
  190   2HD2  LEU  25          2HD2      LEU  25   6.093  -1.255  -6.211
  191   3HD2  LEU  25          3HD2      LEU  25   7.799  -1.080  -6.617
  192    H    GLY  26           H        GLY  26   9.729   0.319 -11.344
  193   1HA   GLY  26          2HA       GLY  26   9.375  -1.643 -13.421
  194   2HA   GLY  26          1HA       GLY  26  10.239  -0.118 -13.564
  195    H    ASP  27           H        ASP  27  11.469  -1.506 -10.892
  196    HA   ASP  27           HA       ASP  27  13.214  -3.470 -12.033
  197   1HB   ASP  27          2HB       ASP  27  14.242  -1.356 -12.861
  198   2HB   ASP  27          1HB       ASP  27  14.428  -0.825 -11.192
  199    H    ILE  28           H        ILE  28  11.504  -3.754  -9.995
  200    HA   ILE  28           HA       ILE  28  13.181  -3.701  -7.569
  201    HB   ILE  28           HB       ILE  28  10.282  -3.173  -7.995
  202   1HG1  ILE  28          2HG1      ILE  28  11.963  -1.407  -7.404
  203   2HG1  ILE  28          1HG1      ILE  28  10.632  -1.524  -6.258
  204   1HG2  ILE  28          1HG2      ILE  28  11.305  -4.946  -5.865
  205   2HG2  ILE  28          2HG2      ILE  28   9.716  -4.873  -6.629
  206   3HG2  ILE  28          3HG2      ILE  28  10.152  -3.704  -5.384
  207   1HD1  ILE  28          1HD1      ILE  28  12.926  -1.220  -5.272
  208   2HD1  ILE  28          2HD1      ILE  28  13.283  -2.862  -5.809
  209   3HD1  ILE  28          3HD1      ILE  28  11.989  -2.578  -4.639
  210    HA   PRO  29           HA       PRO  29  13.019  -8.153  -7.537
  211   1HB   PRO  29          2HB       PRO  29  13.331  -8.544  -4.845
  212   2HB   PRO  29          1HB       PRO  29  14.672  -8.150  -5.927
  213   1HG   PRO  29          2HG       PRO  29  13.114  -6.359  -4.108
  214   2HG   PRO  29          1HG       PRO  29  14.857  -6.389  -4.428
  215   1HD   PRO  29          2HD       PRO  29  13.206  -4.565  -5.558
  216   2HD   PRO  29          1HD       PRO  29  14.643  -5.196  -6.393
  217    H    GLU  30           H        GLU  30  10.851  -8.219  -8.154
  218    HA   GLU  30           HA       GLU  30   8.855  -9.401  -7.714
  219   1HB   GLU  30          2HB       GLU  30   9.512  -9.149  -5.073
  220   2HB   GLU  30          1HB       GLU  30   8.246  -7.952  -5.237
  221   1HG   GLU  30          2HG       GLU  30   6.616  -9.465  -5.580
  222   2HG   GLU  30          1HG       GLU  30   7.699 -10.574  -6.416
  223    H    SER  31           H        SER  31   9.004  -7.510  -9.435
  224    HA   SER  31           HA       SER  31   6.628  -6.057  -9.002
  225   1HB   SER  31          2HB       SER  31   7.395  -3.879  -8.723
  226   2HB   SER  31          1HB       SER  31   8.319  -4.876  -7.592
  227    HG   SER  31           HG       SER  31   9.844  -4.965  -9.545
  228    H    HIS  32           H        HIS  32   5.783  -6.273 -10.790
  229    HA   HIS  32           HA       HIS  32   7.059  -5.073 -13.161
  230   1HB   HIS  32          2HB       HIS  32   7.114  -7.605 -13.346
  231   2HB   HIS  32          1HB       HIS  32   5.353  -7.570 -13.328
  232    HD1  HIS  32           1HD      HIS  32   4.468  -5.664 -15.296
  233    HD2  HIS  32           2HD      HIS  32   7.986  -7.797 -15.889
  234    HE1  HIS  32           1HE      HIS  32   4.890  -5.594 -17.775
  235    HE2  HIS  32           2HE      HIS  32   7.070  -6.814 -18.099
  236    H    ILE  33           H        ILE  33   5.865  -3.216 -12.852
  237    HA   ILE  33           HA       ILE  33   3.279  -3.005 -12.001
  238    HB   ILE  33           HB       ILE  33   5.125  -1.236 -13.402
  239   1HG1  ILE  33          2HG1      ILE  33   3.070  -0.892 -11.217
  240   2HG1  ILE  33          1HG1      ILE  33   4.770  -1.282 -10.988
  241   1HG2  ILE  33          1HG2      ILE  33   3.154  -1.097 -14.920
  242   2HG2  ILE  33          2HG2      ILE  33   3.523   0.417 -14.092
  243   3HG2  ILE  33          3HG2      ILE  33   2.183  -0.587 -13.538
  244   1HD1  ILE  33          1HD1      ILE  33   5.430   0.849 -11.267
  245   2HD1  ILE  33          2HD1      ILE  33   3.763   1.201 -10.813
  246   3HD1  ILE  33          3HD1      ILE  33   4.227   1.174 -12.515
  247    H    LEU  34           H        LEU  34   1.316  -3.136 -12.730
  248    HA   LEU  34           HA       LEU  34   0.871  -3.734 -15.577
  249   1HB   LEU  34          2HB       LEU  34   0.685  -5.769 -14.212
  250   2HB   LEU  34          1HB       LEU  34  -0.514  -4.987 -13.205
  251    HG   LEU  34           HG       LEU  34  -2.039  -4.847 -15.140
  252   1HD1  LEU  34          1HD1      LEU  34  -0.738  -6.771 -16.823
  253   2HD1  LEU  34          2HD1      LEU  34   0.292  -5.354 -16.615
  254   3HD1  LEU  34          3HD1      LEU  34  -1.352  -5.166 -17.224
  255   1HD2  LEU  34          1HD2      LEU  34  -2.858  -6.827 -14.549
  256   2HD2  LEU  34          2HD2      LEU  34  -1.378  -7.077 -13.621
  257   3HD2  LEU  34          3HD2      LEU  34  -1.495  -7.682 -15.273
  258    H    THR  35           H        THR  35  -0.766  -2.709 -12.548
  259    HA   THR  35           HA       THR  35  -2.226  -0.713 -14.125
  260    HB   THR  35           HB       THR  35  -4.288  -1.248 -12.790
  261    HG1  THR  35           1HG      THR  35  -3.400  -2.419 -11.116
  262   1HG2  THR  35          1HG2      THR  35  -3.723  -3.792 -14.144
  263   2HG2  THR  35          2HG2      THR  35  -3.535  -2.339 -15.125
  264   3HG2  THR  35          3HG2      THR  35  -5.075  -2.674 -14.332
  265    H    VAL  36           H        VAL  36  -3.065   1.067 -12.870
  266    HA   VAL  36           HA       VAL  36  -1.976   1.332 -10.158
  267    HB   VAL  36           HB       VAL  36  -1.581   3.396 -12.334
  268   1HG1  VAL  36          1HG1      VAL  36  -0.112   3.767  -9.856
  269   2HG1  VAL  36          2HG1      VAL  36  -1.860   3.821  -9.620
  270   3HG1  VAL  36          3HG1      VAL  36  -1.091   4.912 -10.775
  271   1HG2  VAL  36          1HG2      VAL  36  -0.001   1.687 -12.707
  272   2HG2  VAL  36          2HG2      VAL  36   0.313   1.491 -10.982
  273   3HG2  VAL  36          3HG2      VAL  36   0.862   2.943 -11.820
  274    H    SER  37           H        SER  37  -3.208   2.539  -8.778
  275    HA   SER  37           HA       SER  37  -5.905   3.113  -9.559
  276   1HB   SER  37          2HB       SER  37  -5.248   2.260  -7.289
  277   2HB   SER  37          1HB       SER  37  -4.512   3.829  -6.966
  278    HG   SER  37           HG       SER  37  -6.988   4.225  -7.852
  279    H    SER  38           H        SER  38  -5.860   5.510  -7.605
  280    HA   SER  38           HA       SER  38  -4.691   7.512  -9.404
  281   1HB   SER  38          2HB       SER  38  -6.709   8.930  -9.123
  282   2HB   SER  38          1HB       SER  38  -7.065   7.417  -9.957
  283    HG   SER  38           HG       SER  38  -7.847   8.295  -7.441
  284    H    PHE  39           H        PHE  39  -5.131   9.805  -8.152
  285    HA   PHE  39           HA       PHE  39  -3.680   9.444  -5.666
  286   1HB   PHE  39          2HB       PHE  39  -3.631  12.020  -5.765
  287   2HB   PHE  39          1HB       PHE  39  -2.703  11.120  -6.957
  288    HD1  PHE  39           1HD      PHE  39  -2.775  11.902  -9.086
  289    HD2  PHE  39           2HD      PHE  39  -6.174  12.478  -6.592
  290    HE1  PHE  39           1HE      PHE  39  -3.891  13.137 -10.899
  291    HE2  PHE  39           2HE      PHE  39  -7.298  13.711  -8.400
  292    HZ   PHE  39           HZ       PHE  39  -6.157  14.042 -10.557
  293    H    TYR  40           H        TYR  40  -4.342  10.084  -3.649
  294    HA   TYR  40           HA       TYR  40  -7.078  11.093  -3.376
  295   1HB   TYR  40          2HB       TYR  40  -6.003   8.668  -1.924
  296   2HB   TYR  40          1HB       TYR  40  -7.551   9.439  -1.602
  297    HD1  TYR  40           1HD      TYR  40  -5.643   7.413  -3.998
  298    HD2  TYR  40           2HD      TYR  40  -9.444   9.088  -3.068
  299    HE1  TYR  40           1HE      TYR  40  -6.686   5.996  -5.714
  300    HE2  TYR  40           2HE      TYR  40 -10.493   7.671  -4.777
  301    HH   TYR  40           HH       TYR  40  -8.603   5.777  -7.007
  302    H    ARG  41           H        ARG  41  -7.219  12.691  -1.980
  303    HA   ARG  41           HA       ARG  41  -5.002  13.177  -0.113
  304   1HB   ARG  41          2HB       ARG  41  -5.739  14.966  -1.753
  305   2HB   ARG  41          1HB       ARG  41  -7.246  15.059  -0.854
  306   1HG   ARG  41          2HG       ARG  41  -5.915  15.620   1.179
  307   2HG   ARG  41          1HG       ARG  41  -4.488  15.681   0.144
  308   1HD   ARG  41          2HD       ARG  41  -5.506  17.429  -1.196
  309   2HD   ARG  41          1HD       ARG  41  -6.964  17.362  -0.211
  310    HE   ARG  41           HE       ARG  41  -4.789  17.870   1.470
  311   1HH1  ARG  41          1HH1      ARG  41  -6.575  19.416  -1.092
  312   2HH1  ARG  41          2HH1      ARG  41  -6.253  21.021  -0.523
  313   1HH2  ARG  41          1HH2      ARG  41  -4.361  19.977   2.227
  314   2HH2  ARG  41          2HH2      ARG  41  -4.994  21.338   1.363
  315    H    THR  42           H        THR  42  -5.395  12.196   1.793
  316    HA   THR  42           HA       THR  42  -7.991  12.696   3.068
  317    HB   THR  42           HB       THR  42  -8.380  10.415   3.546
  318    HG1  THR  42           1HG      THR  42  -6.328   9.739   4.119
  319   1HG2  THR  42          1HG2      THR  42  -7.344  10.750   0.758
  320   2HG2  THR  42          2HG2      THR  42  -9.015  10.690   1.321
  321   3HG2  THR  42          3HG2      THR  42  -8.028   9.227   1.326
  322    HA   PRO  43           HA       PRO  43  -5.776  13.182   6.852
  323   1HB   PRO  43          2HB       PRO  43  -7.130  11.761   8.714
  324   2HB   PRO  43          1HB       PRO  43  -7.773  13.240   7.989
  325   1HG   PRO  43          2HG       PRO  43  -8.379  10.385   7.320
  326   2HG   PRO  43          1HG       PRO  43  -9.492  11.756   7.484
  327   1HD   PRO  43          2HD       PRO  43  -8.636  10.840   5.077
  328   2HD   PRO  43          1HD       PRO  43  -9.029  12.548   5.373
  329    HA   PRO  44           HA       PRO  44  -2.835   9.736   6.602
  330   1HB   PRO  44          2HB       PRO  44  -1.551  11.514   8.617
  331   2HB   PRO  44          1HB       PRO  44  -0.851  10.729   7.195
  332   1HG   PRO  44          2HG       PRO  44  -1.397  13.314   7.138
  333   2HG   PRO  44          1HG       PRO  44  -1.748  12.295   5.729
  334   1HD   PRO  44          2HD       PRO  44  -3.615  13.389   7.793
  335   2HD   PRO  44          1HD       PRO  44  -3.849  13.210   6.041
  336    H    LEU  45           H        LEU  45  -1.680   8.413   8.300
  337    HA   LEU  45           HA       LEU  45  -3.139   8.310  10.835
  338   1HB   LEU  45          2HB       LEU  45  -4.222   6.734   9.280
  339   2HB   LEU  45          1HB       LEU  45  -2.682   5.932   9.036
  340    HG   LEU  45           HG       LEU  45  -2.684   5.386  11.499
  341   1HD1  LEU  45          1HD1      LEU  45  -4.504   5.756  12.843
  342   2HD1  LEU  45          2HD1      LEU  45  -5.622   5.879  11.485
  343   3HD1  LEU  45          3HD1      LEU  45  -4.527   7.213  11.852
  344   1HD2  LEU  45          1HD2      LEU  45  -5.107   4.197  10.227
  345   2HD2  LEU  45          2HD2      LEU  45  -3.830   3.419  11.161
  346   3HD2  LEU  45          3HD2      LEU  45  -3.522   3.934   9.502
  347    H    GLY  46           H        GLY  46  -1.868   8.056  12.525
  348   1HA   GLY  46          2HA       GLY  46  -0.093   6.818  13.630
  349   2HA   GLY  46          1HA       GLY  46   0.797   6.862  12.114
  350    HA   PRO  47           HA       PRO  47   2.299  10.559  14.300
  351   1HB   PRO  47          2HB       PRO  47   4.667   9.653  15.049
  352   2HB   PRO  47          1HB       PRO  47   3.202   9.112  15.868
  353   1HG   PRO  47          2HG       PRO  47   4.991   7.623  14.075
  354   2HG   PRO  47          1HG       PRO  47   3.789   7.004  15.217
  355   1HD   PRO  47          2HD       PRO  47   3.533   7.487  12.336
  356   2HD   PRO  47          1HD       PRO  47   2.456   6.576  13.420
  357    H    GLN  48           H        GLN  48   2.806  12.091  12.763
  358    HA   GLN  48           HA       GLN  48   5.411  12.375  11.846
  359   1HB   GLN  48          2HB       GLN  48   5.562  11.386   9.877
  360   2HB   GLN  48          1HB       GLN  48   4.045  10.593  10.185
  361   1HG   GLN  48          2HG       GLN  48   4.278  13.283   8.869
  362   2HG   GLN  48          1HG       GLN  48   4.278  11.773   7.982
  363   1HE2  GLN  48          1HE2      GLN  48   2.221  11.136  10.441
  364   2HE2  GLN  48          2HE2      GLN  48   0.752  11.631   9.710
  365    H    ASP  49           H        ASP  49   2.030  13.158  11.289
  366    HA   ASP  49           HA       ASP  49   2.193  15.836  11.870
  367   1HB   ASP  49          2HB       ASP  49   3.682  15.986   9.864
  368   2HB   ASP  49          1HB       ASP  49   2.335  15.435   8.872
  369    H    GLN  50           H        GLN  50   0.820  13.488   9.702
  370    HA   GLN  50           HA       GLN  50  -1.294  12.918   9.124
  371   1HB   GLN  50          2HB       GLN  50  -2.200  14.323  11.614
  372   2HB   GLN  50          1HB       GLN  50  -2.936  12.947  10.811
  373   1HG   GLN  50          2HG       GLN  50  -0.216  12.817  12.059
  374   2HG   GLN  50          1HG       GLN  50  -1.695  12.485  12.957
  375   1HE2  GLN  50          1HE2      GLN  50   0.755  11.106  11.315
  376   2HE2  GLN  50          2HE2      GLN  50   0.036   9.599  10.913
  377    HA   PRO  51           HA       PRO  51  -2.573  17.277   7.988
  378   1HB   PRO  51          2HB       PRO  51  -1.010  17.769   5.795
  379   2HB   PRO  51          1HB       PRO  51  -0.586  18.246   7.438
  380   1HG   PRO  51          2HG       PRO  51   0.626  16.217   5.761
  381   2HG   PRO  51          1HG       PRO  51   1.193  16.862   7.306
  382   1HD   PRO  51          2HD       PRO  51  -0.214  14.375   6.741
  383   2HD   PRO  51          1HD       PRO  51   0.602  14.889   8.230
  384    H    ASP  52           H        ASP  52  -1.306  15.802   5.036
  385    HA   ASP  52           HA       ASP  52  -3.726  14.553   4.241
  386   1HB   ASP  52          2HB       ASP  52  -4.221  16.104   2.328
  387   2HB   ASP  52          1HB       ASP  52  -4.557  16.784   3.916
  388    H    TYR  53           H        TYR  53  -2.163  12.911   3.886
  389    HA   TYR  53           HA       TYR  53  -0.035  13.296   2.012
  390   1HB   TYR  53          2HB       TYR  53   0.293  10.832   2.228
  391   2HB   TYR  53          1HB       TYR  53   0.331  11.699   3.752
  392    HD1  TYR  53           1HD      TYR  53  -3.039  11.514   2.785
  393    HD2  TYR  53           2HD      TYR  53   0.109   9.116   4.345
  394    HE1  TYR  53           1HE      TYR  53  -4.690   9.941   3.694
  395    HE2  TYR  53           2HE      TYR  53  -1.537   7.537   5.258
  396    HH   TYR  53           HH       TYR  53  -4.686   7.423   4.326
  397    H    LEU  54           H        LEU  54   0.247  11.678   0.203
  398    HA   LEU  54           HA       LEU  54  -2.184  11.733  -1.435
  399   1HB   LEU  54          2HB       LEU  54  -0.077  12.852  -2.237
  400   2HB   LEU  54          1HB       LEU  54   0.664  11.264  -2.323
  401    HG   LEU  54           HG       LEU  54  -1.095  10.597  -3.954
  402   1HD1  LEU  54          1HD1      LEU  54  -2.254  12.583  -5.065
  403   2HD1  LEU  54          2HD1      LEU  54  -1.860  13.476  -3.596
  404   3HD1  LEU  54          3HD1      LEU  54  -2.884  12.042  -3.510
  405   1HD2  LEU  54          1HD2      LEU  54   1.236  11.864  -4.397
  406   2HD2  LEU  54          2HD2      LEU  54   0.123  12.995  -5.169
  407   3HD2  LEU  54          3HD2      LEU  54   0.170  11.308  -5.687
  408    H    ASN  55           H        ASN  55  -3.286   9.895  -1.547
  409    HA   ASN  55           HA       ASN  55  -1.891   7.359  -1.070
  410   1HB   ASN  55          2HB       ASN  55  -4.839   8.027  -0.937
  411   2HB   ASN  55          1HB       ASN  55  -4.138   6.450  -0.591
  412   1HD2  ASN  55          1HD2      ASN  55  -1.830   8.348   0.509
  413   2HD2  ASN  55          2HD2      ASN  55  -2.354   8.607   2.132
  414    H    ALA  56           H        ALA  56  -2.112   5.607  -2.418
  415    HA   ALA  56           HA       ALA  56  -3.811   5.446  -4.651
  416   1HB   ALA  56          1HB       ALA  56  -1.053   6.522  -5.191
  417   2HB   ALA  56          2HB       ALA  56  -2.605   7.203  -5.676
  418   3HB   ALA  56          3HB       ALA  56  -2.023   5.717  -6.424
  419    H    ALA  57           H        ALA  57  -4.057   3.264  -4.241
  420    HA   ALA  57           HA       ALA  57  -1.842   1.564  -3.649
  421   1HB   ALA  57          1HB       ALA  57  -3.551   0.336  -2.929
  422   2HB   ALA  57          2HB       ALA  57  -3.926  -0.030  -4.615
  423   3HB   ALA  57          3HB       ALA  57  -4.707   1.334  -3.816
  424    H    VAL  58           H        VAL  58  -1.549  -0.503  -5.133
  425    HA   VAL  58           HA       VAL  58  -1.862   0.021  -7.953
  426    HB   VAL  58           HB       VAL  58   0.086   1.376  -7.593
  427   1HG1  VAL  58          1HG1      VAL  58   1.229  -1.044  -6.211
  428   2HG1  VAL  58          2HG1      VAL  58   0.913   0.546  -5.519
  429   3HG1  VAL  58          3HG1      VAL  58   2.193   0.346  -6.712
  430   1HG2  VAL  58          1HG2      VAL  58   1.759   0.163  -9.000
  431   2HG2  VAL  58          2HG2      VAL  58   0.123   0.183  -9.661
  432   3HG2  VAL  58          3HG2      VAL  58   0.739  -1.270  -8.875
  433    H    ALA  59           H        ALA  59  -2.195  -1.871  -8.981
  434    HA   ALA  59           HA       ALA  59  -1.741  -4.341  -7.582
  435   1HB   ALA  59          1HB       ALA  59  -2.923  -5.380  -9.313
  436   2HB   ALA  59          2HB       ALA  59  -2.506  -4.123 -10.476
  437   3HB   ALA  59          3HB       ALA  59  -3.666  -3.786  -9.192
  438    H    LEU  60           H        LEU  60   0.490  -4.454  -7.318
  439    HA   LEU  60           HA       LEU  60   2.325  -4.201  -9.473
  440   1HB   LEU  60          2HB       LEU  60   2.967  -3.837  -7.129
  441   2HB   LEU  60          1HB       LEU  60   2.672  -5.528  -6.786
  442    HG   LEU  60           HG       LEU  60   4.593  -6.238  -8.068
  443   1HD1  LEU  60          1HD1      LEU  60   4.991  -5.105  -9.962
  444   2HD1  LEU  60          2HD1      LEU  60   5.812  -3.899  -8.971
  445   3HD1  LEU  60          3HD1      LEU  60   4.114  -3.683  -9.396
  446   1HD2  LEU  60          1HD2      LEU  60   5.720  -5.665  -6.231
  447   2HD2  LEU  60          2HD2      LEU  60   4.805  -4.172  -6.024
  448   3HD2  LEU  60          3HD2      LEU  60   6.206  -4.207  -7.094
  449    H    GLU  61           H        GLU  61   2.246  -5.595 -11.161
  450    HA   GLU  61           HA       GLU  61   1.524  -8.359 -10.757
  451   1HB   GLU  61          2HB       GLU  61   1.184  -7.009 -12.918
  452   2HB   GLU  61          1HB       GLU  61   2.915  -7.169 -13.165
  453   1HG   GLU  61          2HG       GLU  61   2.770  -9.538 -13.305
  454   2HG   GLU  61          1HG       GLU  61   1.078  -9.509 -12.829
  455    H    THR  62           H        THR  62   2.981  -8.960  -9.182
  456    HA   THR  62           HA       THR  62   5.795  -8.595  -9.619
  457    HB   THR  62           HB       THR  62   4.459  -8.376  -7.443
  458    HG1  THR  62           1HG      THR  62   6.968  -9.287  -8.006
  459   1HG2  THR  62          1HG2      THR  62   5.403 -10.871  -6.472
  460   2HG2  THR  62          2HG2      THR  62   4.246 -11.172  -7.772
  461   3HG2  THR  62          3HG2      THR  62   3.774 -10.199  -6.379
  462    H    SER  63           H        SER  63   7.127 -10.471  -8.632
  463    HA   SER  63           HA       SER  63   6.431 -13.056  -9.782
  464   1HB   SER  63          2HB       SER  63   8.719 -11.304 -10.654
  465   2HB   SER  63          1HB       SER  63   8.647 -13.035 -11.006
  466    HG   SER  63           HG       SER  63   6.818 -11.035 -11.855
  467    H    LEU  64           H        LEU  64   8.451 -10.981  -7.844
  468    HA   LEU  64           HA       LEU  64  10.332 -13.031  -7.038
  469   1HB   LEU  64          2HB       LEU  64  10.138 -10.378  -6.763
  470   2HB   LEU  64          1HB       LEU  64   9.582 -10.843  -5.198
  471    HG   LEU  64           HG       LEU  64  11.799 -10.261  -4.911
  472   1HD1  LEU  64          1HD1      LEU  64  11.403 -12.294  -3.730
  473   2HD1  LEU  64          2HD1      LEU  64  13.043 -12.320  -4.379
  474   3HD1  LEU  64          3HD1      LEU  64  11.776 -13.259  -5.164
  475   1HD2  LEU  64          1HD2      LEU  64  12.131 -10.624  -7.537
  476   2HD2  LEU  64          2HD2      LEU  64  12.965 -12.065  -6.952
  477   3HD2  LEU  64          3HD2      LEU  64  13.481 -10.467  -6.413
  478    H    ALA  65           H        ALA  65  10.344 -13.367  -4.407
  479    HA   ALA  65           HA       ALA  65   8.123 -15.060  -3.857
  480   1HB   ALA  65          1HB       ALA  65  10.356 -14.329  -1.971
  481   2HB   ALA  65          2HB       ALA  65  10.505 -15.561  -3.224
  482   3HB   ALA  65          3HB       ALA  65   9.326 -15.760  -1.929
  483    HA   PRO  66           HA       PRO  66   5.391 -12.053  -2.069
  484   1HB   PRO  66          2HB       PRO  66   4.646 -14.318  -0.318
  485   2HB   PRO  66          1HB       PRO  66   3.630 -13.296  -1.334
  486   1HG   PRO  66          2HG       PRO  66   4.353 -15.847  -1.966
  487   2HG   PRO  66          1HG       PRO  66   3.916 -14.617  -3.163
  488   1HD   PRO  66          2HD       PRO  66   6.529 -15.789  -2.563
  489   2HD   PRO  66          1HD       PRO  66   6.016 -14.860  -3.993
  490    H    GLU  67           H        GLU  67   7.819 -13.771  -0.341
  491    HA   GLU  67           HA       GLU  67   7.221 -12.295   2.094
  492   1HB   GLU  67          2HB       GLU  67   9.352 -13.665   2.867
  493   2HB   GLU  67          1HB       GLU  67   7.741 -14.370   2.840
  494   1HG   GLU  67          2HG       GLU  67   8.176 -15.457   0.781
  495   2HG   GLU  67          1HG       GLU  67   9.708 -14.616   0.591
  496    H    GLU  68           H        GLU  68   9.499 -12.235  -0.529
  497    HA   GLU  68           HA       GLU  68  11.254 -10.457   0.936
  498   1HB   GLU  68          2HB       GLU  68  12.162 -12.159  -0.672
  499   2HB   GLU  68          1HB       GLU  68  11.440 -11.221  -1.978
  500   1HG   GLU  68          2HG       GLU  68  12.804  -9.307  -1.406
  501   2HG   GLU  68          1HG       GLU  68  13.476 -10.171  -0.025
  502    H    LEU  69           H        LEU  69   8.575 -10.277  -1.260
  503    HA   LEU  69           HA       LEU  69   9.159  -7.767  -2.356
  504   1HB   LEU  69          2HB       LEU  69   7.544  -8.980  -3.469
  505   2HB   LEU  69          1HB       LEU  69   6.584  -9.228  -2.034
  506    HG   LEU  69           HG       LEU  69   6.954  -6.420  -2.920
  507   1HD1  LEU  69          1HD1      LEU  69   5.228  -8.374  -4.423
  508   2HD1  LEU  69          2HD1      LEU  69   6.625  -7.502  -5.051
  509   3HD1  LEU  69          3HD1      LEU  69   5.168  -6.621  -4.593
  510   1HD2  LEU  69          1HD2      LEU  69   5.167  -7.950  -1.277
  511   2HD2  LEU  69          2HD2      LEU  69   4.263  -7.060  -2.504
  512   3HD2  LEU  69          3HD2      LEU  69   5.350  -6.201  -1.410
  513    H    LEU  70           H        LEU  70   6.746  -8.376   0.273
  514    HA   LEU  70           HA       LEU  70   6.318  -5.705   0.862
  515   1HB   LEU  70          2HB       LEU  70   5.006  -7.345   2.013
  516   2HB   LEU  70          1HB       LEU  70   6.434  -8.061   2.741
  517    HG   LEU  70           HG       LEU  70   5.865  -5.207   3.362
  518   1HD1  LEU  70          1HD1      LEU  70   4.243  -5.670   4.988
  519   2HD1  LEU  70          2HD1      LEU  70   4.455  -7.413   4.821
  520   3HD1  LEU  70          3HD1      LEU  70   3.693  -6.488   3.528
  521   1HD2  LEU  70          1HD2      LEU  70   6.507  -7.059   5.509
  522   2HD2  LEU  70          2HD2      LEU  70   7.304  -5.561   5.028
  523   3HD2  LEU  70          3HD2      LEU  70   7.698  -7.072   4.211
  524    H    ASN  71           H        ASN  71   9.024  -7.702   1.379
  525    HA   ASN  71           HA       ASN  71  10.353  -5.948   3.232
  526   1HB   ASN  71          2HB       ASN  71  11.205  -8.413   1.747
  527   2HB   ASN  71          1HB       ASN  71  12.360  -7.449   2.665
  528   1HD2  ASN  71          1HD2      ASN  71  12.606  -7.938   4.717
  529   2HD2  ASN  71          2HD2      ASN  71  11.484  -8.812   5.694
  530    H    HIS  72           H        HIS  72  10.547  -6.484  -0.315
  531    HA   HIS  72           HA       HIS  72  12.828  -4.862  -0.685
  532   1HB   HIS  72          2HB       HIS  72  12.349  -4.916  -2.996
  533   2HB   HIS  72          1HB       HIS  72  11.770  -6.452  -2.386
  534    HD1  HIS  72           1HD      HIS  72  10.128  -3.022  -2.775
  535    HD2  HIS  72           2HD      HIS  72   9.463  -7.039  -3.623
  536    HE1  HIS  72           1HE      HIS  72   7.884  -3.105  -3.907
  537    HE2  HIS  72           2HE      HIS  72   7.492  -5.545  -4.393
  538    H    THR  73           H        THR  73   9.417  -4.223  -0.415
  539    HA   THR  73           HA       THR  73   9.277  -1.587  -1.263
  540    HB   THR  73           HB       THR  73   7.264  -1.421  -0.013
  541    HG1  THR  73           1HG      THR  73   7.589  -1.989   2.003
  542   1HG2  THR  73          1HG2      THR  73   7.123  -3.102  -1.786
  543   2HG2  THR  73          2HG2      THR  73   6.051  -3.451  -0.430
  544   3HG2  THR  73          3HG2      THR  73   7.560  -4.343  -0.612
  545    H    GLN  74           H        GLN  74   9.925  -2.876   2.000
  546    HA   GLN  74           HA       GLN  74  10.324  -0.485   3.350
  547   1HB   GLN  74          2HB       GLN  74  11.787  -3.111   3.705
  548   2HB   GLN  74          1HB       GLN  74  11.858  -1.772   4.841
  549   1HG   GLN  74          2HG       GLN  74   9.395  -3.335   4.096
  550   2HG   GLN  74          1HG       GLN  74  10.317  -3.485   5.589
  551   1HE2  GLN  74          1HE2      GLN  74   7.669  -2.094   4.208
  552   2HE2  GLN  74          2HE2      GLN  74   7.404  -0.809   5.333
  553    H    ARG  75           H        ARG  75  12.426  -2.210   1.149
  554    HA   ARG  75           HA       ARG  75  14.742  -0.606   1.691
  555   1HB   ARG  75          2HB       ARG  75  14.943  -2.903   0.875
  556   2HB   ARG  75          1HB       ARG  75  14.150  -2.455  -0.624
  557   1HG   ARG  75          2HG       ARG  75  16.000  -0.981  -1.177
  558   2HG   ARG  75          1HG       ARG  75  16.788  -1.378   0.351
  559   1HD   ARG  75          2HD       ARG  75  16.884  -3.742  -0.348
  560   2HD   ARG  75          1HD       ARG  75  16.163  -3.294  -1.892
  561    HE   ARG  75           HE       ARG  75  18.444  -1.729  -1.517
  562   1HH1  ARG  75          1HH1      ARG  75  17.588  -5.070  -2.012
  563   2HH1  ARG  75          2HH1      ARG  75  19.075  -5.467  -2.809
  564   1HH2  ARG  75          1HH2      ARG  75  20.402  -2.244  -2.565
  565   2HH2  ARG  75          2HH2      ARG  75  20.674  -3.860  -3.123
  566    H    ILE  76           H        ILE  76  12.044  -0.469  -0.539
  567    HA   ILE  76           HA       ILE  76  13.189   1.393  -2.350
  568    HB   ILE  76           HB       ILE  76  10.251   1.115  -1.681
  569   1HG1  ILE  76          2HG1      ILE  76  11.880  -0.367  -3.762
  570   2HG1  ILE  76          1HG1      ILE  76  11.241  -1.073  -2.281
  571   1HG2  ILE  76          1HG2      ILE  76  11.812   2.622  -3.642
  572   2HG2  ILE  76          2HG2      ILE  76  10.169   2.883  -3.055
  573   3HG2  ILE  76          3HG2      ILE  76  10.471   1.710  -4.338
  574   1HD1  ILE  76          1HD1      ILE  76   9.909  -1.604  -4.288
  575   2HD1  ILE  76          2HD1      ILE  76   9.556   0.115  -4.473
  576   3HD1  ILE  76          3HD1      ILE  76   8.988  -0.754  -3.047
  577    H    GLU  77           H        GLU  77  11.601   1.550   0.710
  578    HA   GLU  77           HA       GLU  77  11.101   4.338   0.809
  579   1HB   GLU  77          2HB       GLU  77  11.564   2.377   3.061
  580   2HB   GLU  77          1HB       GLU  77  10.817   3.951   3.209
  581   1HG   GLU  77          2HG       GLU  77   8.972   3.221   1.793
  582   2HG   GLU  77          1HG       GLU  77   9.722   1.633   1.646
  583    H    LEU  78           H        LEU  78  13.637   2.285   2.207
  584    HA   LEU  78           HA       LEU  78  15.254   4.290   3.281
  585   1HB   LEU  78          2HB       LEU  78  16.050   1.626   2.089
  586   2HB   LEU  78          1HB       LEU  78  17.104   2.637   3.058
  587    HG   LEU  78           HG       LEU  78  14.519   1.459   4.077
  588   1HD1  LEU  78          1HD1      LEU  78  17.040   0.415   5.125
  589   2HD1  LEU  78          2HD1      LEU  78  16.750   0.019   3.432
  590   3HD1  LEU  78          3HD1      LEU  78  15.566  -0.432   4.657
  591   1HD2  LEU  78          1HD2      LEU  78  16.197   3.491   5.065
  592   2HD2  LEU  78          2HD2      LEU  78  16.493   2.064   6.058
  593   3HD2  LEU  78          3HD2      LEU  78  14.856   2.696   5.889
  594    H    GLN  79           H        GLN  79  15.203   2.785   0.094
  595    HA   GLN  79           HA       GLN  79  17.356   4.319  -0.972
  596   1HB   GLN  79          2HB       GLN  79  15.166   2.765  -2.360
  597   2HB   GLN  79          1HB       GLN  79  16.582   3.436  -3.158
  598   1HG   GLN  79          2HG       GLN  79  18.006   2.032  -1.736
  599   2HG   GLN  79          1HG       GLN  79  16.567   1.319  -1.023
  600   1HE2  GLN  79          1HE2      GLN  79  15.745   1.912  -4.121
  601   2HE2  GLN  79          2HE2      GLN  79  16.164   0.399  -4.840
  602    H    GLN  80           H        GLN  80  14.189   5.172  -0.179
  603    HA   GLN  80           HA       GLN  80  13.922   7.074  -2.360
  604   1HB   GLN  80          2HB       GLN  80  12.140   5.727  -0.577
  605   2HB   GLN  80          1HB       GLN  80  11.912   7.459  -0.400
  606   1HG   GLN  80          2HG       GLN  80  11.710   5.846  -2.930
  607   2HG   GLN  80          1HG       GLN  80  10.394   6.628  -2.056
  608   1HE2  GLN  80          1HE2      GLN  80   9.759   8.491  -2.832
  609   2HE2  GLN  80          2HE2      GLN  80  10.690   9.575  -3.801
  610    H    GLY  81           H        GLY  81  15.395   6.943   0.642
  611   1HA   GLY  81          2HA       GLY  81  16.354   8.575   1.962
  612   2HA   GLY  81          1HA       GLY  81  16.111   9.681   0.613
  613    H    ARG  82           H        ARG  82  13.432   7.966   1.821
  614    HA   ARG  82           HA       ARG  82  11.904  10.236   2.381
  615   1HB   ARG  82          2HB       ARG  82  10.280   8.562   3.324
  616   2HB   ARG  82          1HB       ARG  82  10.814   8.279   1.694
  617   1HG   ARG  82          2HG       ARG  82  10.660   6.326   3.463
  618   2HG   ARG  82          1HG       ARG  82  11.857   6.343   2.178
  619   1HD   ARG  82          2HD       ARG  82  13.502   7.270   3.776
  620   2HD   ARG  82          1HD       ARG  82  12.290   7.169   5.047
  621    HE   ARG  82           HE       ARG  82  13.931   5.071   4.141
  622   1HH1  ARG  82          1HH1      ARG  82  10.646   5.701   5.128
  623   2HH1  ARG  82          2HH1      ARG  82  10.389   4.102   5.741
  624   1HH2  ARG  82          1HH2      ARG  82  13.586   2.962   4.931
  625   2HH2  ARG  82          2HH2      ARG  82  12.057   2.547   5.629
  626    H    VAL  83           H        VAL  83  11.100   8.563   4.908
  627    HA   VAL  83           HA       VAL  83  11.911  10.453   6.818
  628    HB   VAL  83           HB       VAL  83   9.869   9.337   7.183
  629   1HG1  VAL  83          1HG1      VAL  83   9.597   7.325   6.238
  630   2HG1  VAL  83          2HG1      VAL  83  10.467   6.630   7.604
  631   3HG1  VAL  83          3HG1      VAL  83  11.344   7.077   6.134
  632   1HG2  VAL  83          1HG2      VAL  83  11.016   9.683   9.262
  633   2HG2  VAL  83          2HG2      VAL  83  11.956   8.206   9.044
  634   3HG2  VAL  83          3HG2      VAL  83  10.217   8.111   9.332
  635    H    ARG  84           H        ARG  84  13.490  10.435   8.273
  636    HA   ARG  84           HA       ARG  84  15.126   8.045   8.674
  637   1HB   ARG  84          2HB       ARG  84  16.230  10.769   7.953
  638   2HB   ARG  84          1HB       ARG  84  17.198   9.401   8.484
  639   1HG   ARG  84          2HG       ARG  84  15.484   9.424   6.009
  640   2HG   ARG  84          1HG       ARG  84  17.222   9.734   6.037
  641   1HD   ARG  84          2HD       ARG  84  15.841   7.193   6.899
  642   2HD   ARG  84          1HD       ARG  84  16.765   7.426   5.415
  643    HE   ARG  84           HE       ARG  84  18.425   8.066   7.561
  644   1HH1  ARG  84          1HH1      ARG  84  16.792   5.281   6.253
  645   2HH1  ARG  84          2HH1      ARG  84  17.973   4.153   6.835
  646   1HH2  ARG  84          1HH2      ARG  84  19.982   6.592   8.334
  647   2HH2  ARG  84          2HH2      ARG  84  19.786   4.900   8.020
  648    H    LYS  85           H        LYS  85  13.113   9.817  10.112
  649    HA   LYS  85           HA       LYS  85  14.565   9.963  12.634
  650   1HB   LYS  85          2HB       LYS  85  12.824  12.272  11.823
  651   2HB   LYS  85          1HB       LYS  85  14.029  12.205  13.098
  652   1HG   LYS  85          2HG       LYS  85  15.803  12.124  11.407
  653   2HG   LYS  85          1HG       LYS  85  14.580  12.220  10.139
  654   1HD   LYS  85          2HD       LYS  85  15.042  14.306  12.274
  655   2HD   LYS  85          1HD       LYS  85  15.628  14.403  10.613
  656   1HE   LYS  85          2HE       LYS  85  13.322  14.343   9.795
  657   2HE   LYS  85          1HE       LYS  85  12.735  14.243  11.455
  658   1HZ   LYS  85          1HZ       LYS  85  12.908  16.523  10.185
  659   2HZ   LYS  85          2HZ       LYS  85  14.494  16.474  10.767
  660   3HZ   LYS  85          3HZ       LYS  85  13.196  16.417  11.850
  661    H    ALA  86           H        ALA  86  11.482  10.864  11.185
  662    HA   ALA  86           HA       ALA  86   9.891  10.203  13.420
  663   1HB   ALA  86          1HB       ALA  86   9.443  11.642  11.222
  664   2HB   ALA  86          2HB       ALA  86   8.141  10.965  12.201
  665   3HB   ALA  86          3HB       ALA  86   8.662  10.137  10.734
  666    H    GLU  87           H        GLU  87   7.920   8.686  13.000
  667    HA   GLU  87           HA       GLU  87   8.944   6.035  12.932
  668   1HB   GLU  87          2HB       GLU  87   6.117   7.054  13.045
  669   2HB   GLU  87          1HB       GLU  87   6.587   5.374  13.276
  670   1HG   GLU  87          2HG       GLU  87   7.406   7.700  15.007
  671   2HG   GLU  87          1HG       GLU  87   6.204   6.474  15.406
  672    H    ARG  88           H        ARG  88   9.122   4.668  11.319
  673    HA   ARG  88           HA       ARG  88   8.435   5.402   8.658
  674   1HB   ARG  88          2HB       ARG  88   9.222   3.144   8.072
  675   2HB   ARG  88          1HB       ARG  88  10.354   3.970   9.136
  676   1HG   ARG  88          2HG       ARG  88   9.502   2.711  11.040
  677   2HG   ARG  88          1HG       ARG  88   8.340   1.900   9.992
  678   1HD   ARG  88          2HD       ARG  88  10.189   0.939   8.699
  679   2HD   ARG  88          1HD       ARG  88  11.343   1.741   9.763
  680    HE   ARG  88           HE       ARG  88  11.077   0.001  11.201
  681   1HH1  ARG  88          1HH1      ARG  88   8.183   0.258   9.274
  682   2HH1  ARG  88          2HH1      ARG  88   7.404  -1.090  10.033
  683   1HH2  ARG  88          1HH2      ARG  88  10.058  -1.772  12.206
  684   2HH2  ARG  88          2HH2      ARG  88   8.469  -2.243  11.699
  685    H    TRP  89           H        TRP  89   6.811   3.859  11.237
  686    HA   TRP  89           HA       TRP  89   4.931   2.329   9.753
  687   1HB   TRP  89          2HB       TRP  89   5.392   1.910  12.140
  688   2HB   TRP  89          1HB       TRP  89   4.713   3.483  12.545
  689    HD1  TRP  89           HD       TRP  89   3.497   0.247  10.764
  690    HE1  TRP  89           1HE      TRP  89   1.042  -0.143  11.435
  691    HE3  TRP  89           3HE      TRP  89   2.771   4.407  13.649
  692    HZ2  TRP  89           2HZ      TRP  89  -0.939   1.144  12.982
  693    HZ3  TRP  89           3HZ      TRP  89   0.570   4.753  14.685
  694    HH2  TRP  89           HH       TRP  89  -1.248   3.156  14.358
  695    H    GLY  90           H        GLY  90   5.079   5.638  10.916
  696   1HA   GLY  90          2HA       GLY  90   2.376   6.301  10.340
  697   2HA   GLY  90          1HA       GLY  90   3.679   7.447  10.594
  698    HA   PRO  91           HA       PRO  91   2.496   7.332   6.029
  699   1HB   PRO  91          2HB       PRO  91   1.980  10.198   6.361
  700   2HB   PRO  91          1HB       PRO  91   0.936   8.955   5.670
  701   1HG   PRO  91          2HG       PRO  91   0.397  10.129   8.035
  702   2HG   PRO  91          1HG       PRO  91  -0.017   8.438   7.702
  703   1HD   PRO  91          2HD       PRO  91   2.293   9.560   9.247
  704   2HD   PRO  91          1HD       PRO  91   1.255   8.167   9.625
  705    H    ARG  92           H        ARG  92   3.989   9.748   8.065
  706    HA   ARG  92           HA       ARG  92   5.735  11.193   7.721
  707   1HB   ARG  92          2HB       ARG  92   6.453   8.693   8.364
  708   2HB   ARG  92          1HB       ARG  92   7.359   8.865   6.873
  709   1HG   ARG  92          2HG       ARG  92   7.539  10.617   9.308
  710   2HG   ARG  92          1HG       ARG  92   8.747   9.479   8.723
  711   1HD   ARG  92          2HD       ARG  92   9.120  10.802   6.765
  712   2HD   ARG  92          1HD       ARG  92   7.799  11.885   7.181
  713    HE   ARG  92           HE       ARG  92   9.604  11.892   9.306
  714   1HH1  ARG  92          1HH1      ARG  92   9.527  12.867   5.962
  715   2HH1  ARG  92          2HH1      ARG  92  10.686  14.134   6.174
  716   1HH2  ARG  92          1HH2      ARG  92  11.124  13.559   9.591
  717   2HH2  ARG  92          2HH2      ARG  92  11.592  14.530   8.235
  718    H    THR  93           H        THR  93   7.664   9.518   5.592
  719    HA   THR  93           HA       THR  93   6.955  11.379   3.441
  720    HB   THR  93           HB       THR  93   9.506   9.819   3.894
  721    HG1  THR  93           1HG      THR  93   8.712  12.446   4.490
  722   1HG2  THR  93          1HG2      THR  93   9.999  12.005   2.249
  723   2HG2  THR  93          2HG2      THR  93   8.555  11.238   1.589
  724   3HG2  THR  93          3HG2      THR  93  10.032  10.299   1.806
  725    H    LEU  94           H        LEU  94   7.352   7.996   4.206
  726    HA   LEU  94           HA       LEU  94   5.831   7.239   1.880
  727   1HB   LEU  94          2HB       LEU  94   8.034   7.467   0.862
  728   2HB   LEU  94          1HB       LEU  94   8.733   6.418   2.077
  729    HG   LEU  94           HG       LEU  94   7.369   4.542   1.219
  730   1HD1  LEU  94          1HD1      LEU  94   6.208   6.704  -0.387
  731   2HD1  LEU  94          2HD1      LEU  94   5.518   5.159   0.114
  732   3HD1  LEU  94          3HD1      LEU  94   6.589   5.235  -1.286
  733   1HD2  LEU  94          1HD2      LEU  94   9.090   5.937  -0.828
  734   2HD2  LEU  94          2HD2      LEU  94   8.614   4.239  -0.880
  735   3HD2  LEU  94          3HD2      LEU  94   9.642   4.827   0.428
  736    H    ASP  95           H        ASP  95   5.045   5.133   1.971
  737    HA   ASP  95           HA       ASP  95   5.907   3.242   3.922
  738   1HB   ASP  95          2HB       ASP  95   4.735   4.829   5.405
  739   2HB   ASP  95          1HB       ASP  95   3.278   4.654   4.430
  740    H    LEU  96           H        LEU  96   5.889   1.767   2.251
  741    HA   LEU  96           HA       LEU  96   3.226   1.073   1.211
  742   1HB   LEU  96          2HB       LEU  96   4.250   0.341  -0.873
  743   2HB   LEU  96          1HB       LEU  96   4.569   2.035  -0.574
  744    HG   LEU  96           HG       LEU  96   6.574  -0.133   0.027
  745   1HD1  LEU  96          1HD1      LEU  96   5.735   0.243  -2.453
  746   2HD1  LEU  96          2HD1      LEU  96   7.438  -0.015  -2.077
  747   3HD1  LEU  96          3HD1      LEU  96   6.834   1.620  -2.354
  748   1HD2  LEU  96          1HD2      LEU  96   6.463   2.575   0.699
  749   2HD2  LEU  96          2HD2      LEU  96   7.595   2.471  -0.649
  750   3HD2  LEU  96          3HD2      LEU  96   7.860   1.504   0.802
  751    H    ASP  97           H        ASP  97   2.539  -0.848   1.827
  752    HA   ASP  97           HA       ASP  97   4.451  -3.041   2.153
  753   1HB   ASP  97          2HB       ASP  97   2.496  -2.113   4.264
  754   2HB   ASP  97          1HB       ASP  97   3.272  -3.689   4.281
  755    H    ILE  98           H        ILE  98   3.488  -5.157   2.150
  756    HA   ILE  98           HA       ILE  98   1.523  -5.524   0.230
  757    HB   ILE  98           HB       ILE  98   3.014  -7.228   2.083
  758   1HG1  ILE  98          2HG1      ILE  98   3.574  -7.092  -0.246
  759   2HG1  ILE  98          1HG1      ILE  98   3.000  -8.708   0.098
  760   1HG2  ILE  98          1HG2      ILE  98   1.420  -9.180   1.720
  761   2HG2  ILE  98          2HG2      ILE  98   0.190  -7.977   1.337
  762   3HG2  ILE  98          3HG2      ILE  98   0.944  -7.991   2.932
  763   1HD1  ILE  98          1HD1      ILE  98   0.896  -8.254  -0.941
  764   2HD1  ILE  98          2HD1      ILE  98   2.184  -7.767  -2.046
  765   3HD1  ILE  98          3HD1      ILE  98   1.306  -6.548  -1.122
  766    H    MET  99           H        MET  99  -0.624  -5.718   0.242
  767    HA   MET  99           HA       MET  99  -2.056  -5.544   2.817
  768   1HB   MET  99          2HB       MET  99  -2.774  -4.153   0.228
  769   2HB   MET  99          1HB       MET  99  -3.681  -4.067   1.733
  770   1HG   MET  99          2HG       MET  99  -2.211  -2.635   2.702
  771   2HG   MET  99          1HG       MET  99  -0.835  -3.256   1.791
  772   1HE   MET  99          1HE       MET  99  -4.273  -2.135   1.086
  773   2HE   MET  99          2HE       MET  99  -4.071  -1.713  -0.614
  774   3HE   MET  99          3HE       MET  99  -4.101  -0.444   0.610
  775    H    LEU 100           H        LEU 100  -1.861  -6.758  -0.430
  776    HA   LEU 100           HA       LEU 100  -3.707  -8.885   0.191
  777   1HB   LEU 100          2HB       LEU 100  -4.542  -6.545  -1.306
  778   2HB   LEU 100          1HB       LEU 100  -4.736  -8.004  -2.256
  779    HG   LEU 100           HG       LEU 100  -5.933  -7.478   0.472
  780   1HD1  LEU 100          1HD1      LEU 100  -7.008  -7.376  -2.318
  781   2HD1  LEU 100          2HD1      LEU 100  -7.181  -6.206  -1.009
  782   3HD1  LEU 100          3HD1      LEU 100  -8.064  -7.731  -0.951
  783   1HD2  LEU 100          1HD2      LEU 100  -6.424  -9.827  -1.350
  784   2HD2  LEU 100          2HD2      LEU 100  -7.027  -9.583   0.289
  785   3HD2  LEU 100          3HD2      LEU 100  -5.307  -9.863   0.015
  786    H    PHE 101           H        PHE 101  -1.987 -10.237  -0.191
  787    HA   PHE 101           HA       PHE 101  -0.809 -10.193  -2.872
  788   1HB   PHE 101          2HB       PHE 101   0.324 -10.474  -0.356
  789   2HB   PHE 101          1HB       PHE 101   0.329 -12.109  -0.995
  790    HD1  PHE 101           1HD      PHE 101   2.824 -10.913  -0.377
  791    HD2  PHE 101           2HD      PHE 101   0.491 -10.506  -3.911
  792    HE1  PHE 101           1HE      PHE 101   4.854 -10.358  -1.657
  793    HE2  PHE 101           2HE      PHE 101   2.513  -9.960  -5.196
  794    HZ   PHE 101           HZ       PHE 101   4.700  -9.881  -4.066
  795    H    GLY 102           H        GLY 102  -2.655 -11.123  -3.889
  796   1HA   GLY 102          2HA       GLY 102  -3.879 -12.861  -4.750
  797   2HA   GLY 102          1HA       GLY 102  -2.484 -13.855  -4.357
  798    H    ASN 103           H        ASN 103  -2.739 -15.404  -2.901
  799    HA   ASN 103           HA       ASN 103  -4.900 -15.184  -0.922
  800   1HB   ASN 103          2HB       ASN 103  -5.595 -17.484  -1.355
  801   2HB   ASN 103          1HB       ASN 103  -5.735 -16.526  -2.830
  802   1HD2  ASN 103          1HD2      ASN 103  -4.494 -19.311  -1.445
  803   2HD2  ASN 103          2HD2      ASN 103  -3.432 -19.788  -2.722
  804    H    GLU 104           H        GLU 104  -1.693 -15.715  -1.557
  805    HA   GLU 104           HA       GLU 104  -0.964 -17.860   0.010
  806   1HB   GLU 104          2HB       GLU 104   1.208 -16.991  -0.032
  807   2HB   GLU 104          1HB       GLU 104   0.470 -16.507  -1.526
  808   1HG   GLU 104          2HG       GLU 104   1.424 -14.530  -0.997
  809   2HG   GLU 104          1HG       GLU 104  -0.070 -14.331  -0.087
  810    H    VAL 105           H        VAL 105   0.195 -17.805   2.046
  811    HA   VAL 105           HA       VAL 105  -0.597 -15.759   3.950
  812    HB   VAL 105           HB       VAL 105  -1.513 -18.616   4.038
  813   1HG1  VAL 105          1HG1      VAL 105  -0.448 -17.457   6.236
  814   2HG1  VAL 105          2HG1      VAL 105  -1.770 -18.621   6.295
  815   3HG1  VAL 105          3HG1      VAL 105  -2.113 -16.893   6.365
  816   1HG2  VAL 105          1HG2      VAL 105  -3.686 -17.371   4.672
  817   2HG2  VAL 105          2HG2      VAL 105  -3.149 -17.351   2.993
  818   3HG2  VAL 105          3HG2      VAL 105  -2.869 -15.949   4.024
  819    H    ILE 106           H        ILE 106   1.579 -15.326   4.289
  820    HA   ILE 106           HA       ILE 106   3.059 -17.426   5.714
  821    HB   ILE 106           HB       ILE 106   4.228 -15.630   3.584
  822   1HG1  ILE 106          2HG1      ILE 106   3.916 -18.640   3.659
  823   2HG1  ILE 106          1HG1      ILE 106   2.906 -17.545   2.721
  824   1HG2  ILE 106          1HG2      ILE 106   5.441 -17.246   5.729
  825   2HG2  ILE 106          2HG2      ILE 106   6.056 -15.823   4.890
  826   3HG2  ILE 106          3HG2      ILE 106   6.173 -17.409   4.133
  827   1HD1  ILE 106          1HD1      ILE 106   4.669 -16.996   1.274
  828   2HD1  ILE 106          2HD1      ILE 106   4.764 -18.744   1.490
  829   3HD1  ILE 106          3HD1      ILE 106   5.880 -17.687   2.354
  830    H    ASN 107           H        ASN 107   4.116 -16.769   7.488
  831    HA   ASN 107           HA       ASN 107   4.298 -13.869   8.011
  832   1HB   ASN 107          2HB       ASN 107   3.704 -16.087   9.987
  833   2HB   ASN 107          1HB       ASN 107   3.996 -14.412  10.425
  834   1HD2  ASN 107          1HD2      ASN 107   2.386 -14.168   7.609
  835   2HD2  ASN 107          2HD2      ASN 107   0.767 -14.106   8.190
  836    H    THR 108           H        THR 108   6.399 -13.393   7.759
  837    HA   THR 108           HA       THR 108   8.370 -15.254   8.914
  838    HB   THR 108           HB       THR 108  10.014 -14.253   7.378
  839    HG1  THR 108           1HG      THR 108   9.213 -12.841   5.747
  840   1HG2  THR 108          1HG2      THR 108   8.899 -16.184   6.520
  841   2HG2  THR 108          2HG2      THR 108   9.063 -15.002   5.220
  842   3HG2  THR 108          3HG2      THR 108   7.508 -15.219   6.025
  843    H    GLU 109           H        GLU 109   9.993 -12.496   8.184
  844    HA   GLU 109           HA       GLU 109  10.083 -11.708  10.979
  845   1HB   GLU 109          2HB       GLU 109  11.703 -10.759   8.606
  846   2HB   GLU 109          1HB       GLU 109  11.988 -10.298  10.279
  847   1HG   GLU 109          2HG       GLU 109  12.156 -13.103   9.203
  848   2HG   GLU 109          1HG       GLU 109  13.529 -12.036   9.486
  849    H    ARG 110           H        ARG 110  10.277  -9.654   8.100
  850    HA   ARG 110           HA       ARG 110   8.506  -7.730   9.414
  851   1HB   ARG 110          2HB       ARG 110  10.177  -7.427   6.907
  852   2HB   ARG 110          1HB       ARG 110   9.283  -6.146   7.712
  853   1HG   ARG 110          2HG       ARG 110  11.569  -7.672   8.946
  854   2HG   ARG 110          1HG       ARG 110  11.706  -6.093   8.172
  855   1HD   ARG 110          2HD       ARG 110  10.146  -5.156   9.806
  856   2HD   ARG 110          1HD       ARG 110   9.999  -6.733  10.575
  857    HE   ARG 110           HE       ARG 110  12.702  -6.063  10.531
  858   1HH1  ARG 110          1HH1      ARG 110   9.749  -4.911  11.976
  859   2HH1  ARG 110          2HH1      ARG 110  10.534  -4.270  13.381
  860   1HH2  ARG 110          1HH2      ARG 110  13.746  -5.220  12.378
  861   2HH2  ARG 110          2HH2      ARG 110  12.804  -4.445  13.608
  862    H    LEU 111           H        LEU 111   8.636  -9.976   6.794
  863    HA   LEU 111           HA       LEU 111   6.628  -8.898   5.154
  864   1HB   LEU 111          2HB       LEU 111   8.094 -10.583   4.288
  865   2HB   LEU 111          1HB       LEU 111   7.586 -11.743   5.494
  866    HG   LEU 111           HG       LEU 111   6.701 -12.088   3.168
  867   1HD1  LEU 111          1HD1      LEU 111   5.682 -12.942   5.367
  868   2HD1  LEU 111          2HD1      LEU 111   4.722 -13.023   3.888
  869   3HD1  LEU 111          3HD1      LEU 111   4.428 -11.741   5.064
  870   1HD2  LEU 111          1HD2      LEU 111   6.237  -9.748   2.638
  871   2HD2  LEU 111          2HD2      LEU 111   4.970  -9.727   3.865
  872   3HD2  LEU 111          3HD2      LEU 111   4.804 -10.758   2.444
  873    H    THR 112           H        THR 112   4.516  -8.938   5.179
  874    HA   THR 112           HA       THR 112   3.073 -10.724   6.977
  875    HB   THR 112           HB       THR 112   1.564  -8.602   7.396
  876    HG1  THR 112           1HG      THR 112   2.451  -6.863   6.693
  877   1HG2  THR 112          1HG2      THR 112   2.271  -9.459   9.366
  878   2HG2  THR 112          2HG2      THR 112   3.208  -7.964   9.347
  879   3HG2  THR 112          3HG2      THR 112   3.968  -9.484   8.878
  880    H    VAL 113           H        VAL 113   1.151 -11.406   6.144
  881    HA   VAL 113           HA       VAL 113   0.568 -10.647   3.398
  882    HB   VAL 113           HB       VAL 113   0.432 -13.033   4.753
  883   1HG1  VAL 113          1HG1      VAL 113  -2.412 -12.095   4.465
  884   2HG1  VAL 113          2HG1      VAL 113  -1.557 -12.343   5.987
  885   3HG1  VAL 113          3HG1      VAL 113  -1.884 -13.712   4.926
  886   1HG2  VAL 113          1HG2      VAL 113   0.069 -13.885   2.729
  887   2HG2  VAL 113          2HG2      VAL 113   0.170 -12.212   2.181
  888   3HG2  VAL 113          3HG2      VAL 113  -1.403 -12.946   2.485
  889    HA   PRO 114           HA       PRO 114  -3.107  -7.998   3.683
  890   1HB   PRO 114          2HB       PRO 114  -4.753 -10.395   4.424
  891   2HB   PRO 114          1HB       PRO 114  -5.168  -9.034   3.379
  892   1HG   PRO 114          2HG       PRO 114  -4.220 -11.478   2.486
  893   2HG   PRO 114          1HG       PRO 114  -4.154  -9.966   1.568
  894   1HD   PRO 114          2HD       PRO 114  -1.961 -11.476   2.574
  895   2HD   PRO 114          1HD       PRO 114  -1.893  -9.892   1.787
  896    H    HIS 115           H        HIS 115  -2.426  -6.894   5.465
  897    HA   HIS 115           HA       HIS 115  -2.422  -7.935   8.094
  898   1HB   HIS 115          2HB       HIS 115  -1.038  -6.005   7.060
  899   2HB   HIS 115          1HB       HIS 115  -2.447  -5.010   7.401
  900    HD1  HIS 115           1HD      HIS 115  -3.227  -5.810  10.174
  901    HD2  HIS 115           2HD      HIS 115   0.737  -5.411   8.984
  902    HE1  HIS 115           1HE      HIS 115  -1.927  -5.416  12.292
  903    HE2  HIS 115           2HE      HIS 115   0.464  -5.144  11.546
  904    H    TYR 116           H        TYR 116  -4.191  -8.357   9.224
  905    HA   TYR 116           HA       TYR 116  -6.777  -7.545   8.679
  906   1HB   TYR 116          2HB       TYR 116  -6.905  -7.830  11.377
  907   2HB   TYR 116          1HB       TYR 116  -6.895  -9.180  10.251
  908    HD1  TYR 116           1HD      TYR 116  -4.163  -6.972  11.509
  909    HD2  TYR 116           2HD      TYR 116  -5.696 -10.934  11.241
  910    HE1  TYR 116           1HE      TYR 116  -2.133  -7.827  12.599
  911    HE2  TYR 116           2HE      TYR 116  -3.670 -11.797  12.326
  912    HH   TYR 116           HH       TYR 116  -0.870 -10.049  12.656
  913    H    ASP 117           H        ASP 117  -6.880  -5.391   8.138
  914    HA   ASP 117           HA       ASP 117  -7.374  -3.516  10.201
  915   1HB   ASP 117          2HB       ASP 117  -4.786  -3.784  10.135
  916   2HB   ASP 117          1HB       ASP 117  -4.889  -2.907   8.618
  917    H    MET 118           H        MET 118  -6.068  -3.786   6.938
  918    HA   MET 118           HA       MET 118  -6.905  -1.540   5.677
  919   1HB   MET 118          2HB       MET 118  -6.982  -2.932   3.629
  920   2HB   MET 118          1HB       MET 118  -5.560  -3.238   4.618
  921   1HG   MET 118          2HG       MET 118  -6.887  -5.174   5.612
  922   2HG   MET 118          1HG       MET 118  -7.991  -4.950   4.256
  923   1HE   MET 118          1HE       MET 118  -3.805  -4.669   3.801
  924   2HE   MET 118          2HE       MET 118  -3.700  -6.356   4.308
  925   3HE   MET 118          3HE       MET 118  -4.472  -5.168   5.357
  926    H    LYS 119           H        LYS 119  -8.819  -4.420   6.221
  927    HA   LYS 119           HA       LYS 119 -11.096  -3.720   4.760
  928   1HB   LYS 119          2HB       LYS 119 -12.217  -5.389   6.370
  929   2HB   LYS 119          1HB       LYS 119 -10.904  -5.968   5.349
  930   1HG   LYS 119          2HG       LYS 119  -9.345  -5.700   7.218
  931   2HG   LYS 119          1HG       LYS 119 -10.683  -5.182   8.244
  932   1HD   LYS 119          2HD       LYS 119 -10.221  -7.521   8.649
  933   2HD   LYS 119          1HD       LYS 119 -11.785  -7.362   7.850
  934   1HE   LYS 119          2HE       LYS 119 -10.501  -9.203   6.897
  935   2HE   LYS 119          1HE       LYS 119 -10.753  -7.927   5.709
  936   1HZ   LYS 119          1HZ       LYS 119  -8.422  -8.984   5.990
  937   2HZ   LYS 119          2HZ       LYS 119  -8.291  -7.941   7.316
  938   3HZ   LYS 119          3HZ       LYS 119  -8.555  -7.310   5.768
  939    H    ASN 120           H        ASN 120 -10.269  -3.233   8.160
  940    HA   ASN 120           HA       ASN 120 -12.693  -1.693   8.655
  941   1HB   ASN 120          2HB       ASN 120 -10.356  -1.726  10.532
  942   2HB   ASN 120          1HB       ASN 120 -12.073  -1.755  10.905
  943   1HD2  ASN 120          1HD2      ASN 120  -9.368  -3.471  11.048
  944   2HD2  ASN 120          2HD2      ASN 120  -9.988  -5.082  10.995
  945    H    ARG 121           H        ARG 121 -11.098  -0.830   6.547
  946    HA   ARG 121           HA       ARG 121 -10.443   1.863   7.325
  947   1HB   ARG 121          2HB       ARG 121  -8.385   0.938   7.928
  948   2HB   ARG 121          1HB       ARG 121  -8.421  -0.239   6.630
  949   1HG   ARG 121          2HG       ARG 121  -6.731   1.344   6.177
  950   2HG   ARG 121          1HG       ARG 121  -8.052   1.596   5.036
  951   1HD   ARG 121          2HD       ARG 121  -7.221   3.731   5.890
  952   2HD   ARG 121          1HD       ARG 121  -8.882   3.454   6.402
  953    HE   ARG 121           HE       ARG 121  -7.129   2.521   8.391
  954   1HH1  ARG 121          1HH1      ARG 121  -8.259   5.496   6.969
  955   2HH1  ARG 121          2HH1      ARG 121  -8.020   6.426   8.411
  956   1HH2  ARG 121          1HH2      ARG 121  -6.815   3.737  10.294
  957   2HH2  ARG 121          2HH2      ARG 121  -7.200   5.425  10.302
  958    H    GLY 122           H        GLY 122 -10.095   3.249   5.470
  959   1HA   GLY 122          2HA       GLY 122 -11.163   2.097   2.966
  960   2HA   GLY 122          1HA       GLY 122 -11.338   3.772   3.452
  961    H    PHE 123           H        PHE 123  -8.367   3.333   4.367
  962    HA   PHE 123           HA       PHE 123  -7.196   4.619   2.133
  963   1HB   PHE 123          2HB       PHE 123  -6.300   5.122   4.276
  964   2HB   PHE 123          1HB       PHE 123  -6.063   3.424   4.655
  965    HD1  PHE 123           1HD      PHE 123  -3.775   3.217   5.057
  966    HD2  PHE 123           2HD      PHE 123  -5.113   5.323   1.611
  967    HE1  PHE 123           1HE      PHE 123  -1.453   3.385   4.261
  968    HE2  PHE 123           2HE      PHE 123  -2.794   5.494   0.809
  969    HZ   PHE 123           HZ       PHE 123  -0.944   4.501   2.178
  970    H    MET 124           H        MET 124  -7.343   1.317   3.261
  971    HA   MET 124           HA       MET 124  -5.494   0.427   1.200
  972   1HB   MET 124          2HB       MET 124  -6.981  -1.017   3.388
  973   2HB   MET 124          1HB       MET 124  -6.037  -1.857   2.167
  974   1HG   MET 124          2HG       MET 124  -4.723  -1.609   4.151
  975   2HG   MET 124          1HG       MET 124  -4.040  -0.605   2.876
  976   1HE   MET 124          1HE       MET 124  -3.254   1.449   6.103
  977   2HE   MET 124          2HE       MET 124  -2.606   0.467   4.788
  978   3HE   MET 124          3HE       MET 124  -3.434  -0.305   6.142
  979    H    LEU 125           H        LEU 125  -8.771  -0.533   2.158
  980    HA   LEU 125           HA       LEU 125  -9.464  -2.062  -0.003
  981   1HB   LEU 125          2HB       LEU 125 -11.243  -0.226   1.592
  982   2HB   LEU 125          1HB       LEU 125 -11.807  -1.524   0.562
  983    HG   LEU 125           HG       LEU 125 -10.133  -1.859   3.051
  984   1HD1  LEU 125          1HD1      LEU 125 -12.683  -1.182   3.080
  985   2HD1  LEU 125          2HD1      LEU 125 -12.028  -2.373   4.204
  986   3HD1  LEU 125          3HD1      LEU 125 -12.896  -2.905   2.764
  987   1HD2  LEU 125          1HD2      LEU 125  -9.909  -4.050   2.589
  988   2HD2  LEU 125          2HD2      LEU 125 -10.167  -3.538   0.921
  989   3HD2  LEU 125          3HD2      LEU 125 -11.515  -4.165   1.869
  990    H    TRP 126           H        TRP 126 -10.596   1.298   0.352
  991    HA   TRP 126           HA       TRP 126 -11.826   1.578  -2.043
  992   1HB   TRP 126          2HB       TRP 126 -11.962   3.241  -0.299
  993   2HB   TRP 126          1HB       TRP 126 -10.279   3.690  -0.547
  994    HD1  TRP 126           HD       TRP 126 -10.312   6.013  -1.535
  995    HE1  TRP 126           1HE      TRP 126 -11.545   7.195  -3.465
  996    HE3  TRP 126           3HE      TRP 126 -13.476   2.245  -2.903
  997    HZ2  TRP 126           2HZ      TRP 126 -13.584   6.603  -5.322
  998    HZ3  TRP 126           3HZ      TRP 126 -15.039   2.630  -4.764
  999    HH2  TRP 126           HH       TRP 126 -15.092   4.766  -5.947
 1000    HA   PRO 127           HA       PRO 127  -7.918   3.305  -4.350
 1001   1HB   PRO 127          2HB       PRO 127  -5.694   2.305  -2.662
 1002   2HB   PRO 127          1HB       PRO 127  -5.878   3.861  -3.479
 1003   1HG   PRO 127          2HG       PRO 127  -6.148   3.704  -0.847
 1004   2HG   PRO 127          1HG       PRO 127  -7.239   4.727  -1.806
 1005   1HD   PRO 127          2HD       PRO 127  -7.729   1.984  -0.673
 1006   2HD   PRO 127          1HD       PRO 127  -8.791   3.413  -0.652
 1007    H    LEU 128           H        LEU 128  -7.306   0.320  -2.519
 1008    HA   LEU 128           HA       LEU 128  -5.986  -1.084  -4.598
 1009   1HB   LEU 128          2HB       LEU 128  -6.532  -1.497  -1.937
 1010   2HB   LEU 128          1HB       LEU 128  -7.572  -2.658  -2.725
 1011    HG   LEU 128           HG       LEU 128  -5.662  -3.693  -3.804
 1012   1HD1  LEU 128          1HD1      LEU 128  -4.036  -2.092  -4.139
 1013   2HD1  LEU 128          2HD1      LEU 128  -3.389  -2.959  -2.745
 1014   3HD1  LEU 128          3HD1      LEU 128  -4.217  -1.417  -2.520
 1015   1HD2  LEU 128          1HD2      LEU 128  -6.479  -3.976  -1.262
 1016   2HD2  LEU 128          2HD2      LEU 128  -4.791  -3.551  -0.986
 1017   3HD2  LEU 128          3HD2      LEU 128  -5.198  -4.949  -1.981
 1018    H    PHE 129           H        PHE 129  -9.273  -0.471  -3.828
 1019    HA   PHE 129           HA       PHE 129 -10.564  -2.582  -5.184
 1020   1HB   PHE 129          2HB       PHE 129 -11.697  -1.060  -3.603
 1021   2HB   PHE 129          1HB       PHE 129 -11.492   0.278  -4.726
 1022    HD1  PHE 129           1HD      PHE 129 -13.300   0.849  -6.007
 1023    HD2  PHE 129           2HD      PHE 129 -12.901  -3.181  -4.703
 1024    HE1  PHE 129           1HE      PHE 129 -15.459   0.302  -7.051
 1025    HE2  PHE 129           2HE      PHE 129 -15.060  -3.734  -5.746
 1026    HZ   PHE 129           HZ       PHE 129 -16.344  -1.991  -6.919
 1027    H    GLU 130           H        GLU 130  -8.731   0.024  -6.351
 1028    HA   GLU 130           HA       GLU 130  -9.984  -0.068  -8.998
 1029   1HB   GLU 130          2HB       GLU 130  -9.774   2.158  -7.976
 1030   2HB   GLU 130          1HB       GLU 130  -8.033   1.940  -7.862
 1031   1HG   GLU 130          2HG       GLU 130  -8.608   3.343  -9.750
 1032   2HG   GLU 130          1HG       GLU 130  -7.880   1.832 -10.293
 1033    H    ILE 131           H        ILE 131  -6.999  -0.723  -7.281
 1034    HA   ILE 131           HA       ILE 131  -5.354  -0.937  -9.598
 1035    HB   ILE 131           HB       ILE 131  -3.687  -1.872  -8.144
 1036   1HG1  ILE 131          2HG1      ILE 131  -4.441  -2.232  -5.641
 1037   2HG1  ILE 131          1HG1      ILE 131  -6.023  -2.496  -6.356
 1038   1HG2  ILE 131          1HG2      ILE 131  -5.388   0.289  -6.953
 1039   2HG2  ILE 131          2HG2      ILE 131  -3.867   0.431  -7.837
 1040   3HG2  ILE 131          3HG2      ILE 131  -3.877  -0.218  -6.198
 1041   1HD1  ILE 131          1HD1      ILE 131  -5.243  -4.627  -6.239
 1042   2HD1  ILE 131          2HD1      ILE 131  -3.569  -4.147  -6.514
 1043   3HD1  ILE 131          3HD1      ILE 131  -4.708  -4.186  -7.860
 1044    H    ALA 132           H        ALA 132  -7.415  -3.066  -7.841
 1045    HA   ALA 132           HA       ALA 132  -8.064  -4.798  -9.807
 1046   1HB   ALA 132          1HB       ALA 132  -5.493  -5.648  -8.519
 1047   2HB   ALA 132          2HB       ALA 132  -5.929  -5.632 -10.229
 1048   3HB   ALA 132          3HB       ALA 132  -6.622  -6.846  -9.152
 1049    HA   PRO 133           HA       PRO 133 -10.043  -5.715  -5.799
 1050   1HB   PRO 133          2HB       PRO 133 -12.488  -4.920  -6.333
 1051   2HB   PRO 133          1HB       PRO 133 -11.192  -3.712  -6.175
 1052   1HG   PRO 133          2HG       PRO 133 -12.379  -4.891  -8.678
 1053   2HG   PRO 133          1HG       PRO 133 -12.063  -3.187  -8.294
 1054   1HD   PRO 133          2HD       PRO 133 -10.354  -4.808  -9.744
 1055   2HD   PRO 133          1HD       PRO 133  -9.851  -3.354  -8.860
 1056    H    GLU 134           H        GLU 134  -9.750  -7.308  -8.518
 1057    HA   GLU 134           HA       GLU 134 -12.107  -9.008  -8.364
 1058   1HB   GLU 134          2HB       GLU 134 -11.130 -10.168 -10.298
 1059   2HB   GLU 134          1HB       GLU 134 -11.222  -8.435 -10.577
 1060   1HG   GLU 134          2HG       GLU 134  -8.848  -8.220 -10.050
 1061   2HG   GLU 134          1HG       GLU 134  -8.756  -9.957  -9.762
 1062    H    LEU 135           H        LEU 135  -9.907  -8.712  -6.299
 1063    HA   LEU 135           HA       LEU 135  -8.716 -11.352  -6.221
 1064   1HB   LEU 135          2HB       LEU 135  -7.737  -9.029  -5.441
 1065   2HB   LEU 135          1HB       LEU 135  -8.586  -9.411  -3.954
 1066    HG   LEU 135           HG       LEU 135  -6.527 -11.207  -5.233
 1067   1HD1  LEU 135          1HD1      LEU 135  -5.254 -10.407  -3.092
 1068   2HD1  LEU 135          2HD1      LEU 135  -6.287  -8.987  -3.270
 1069   3HD1  LEU 135          3HD1      LEU 135  -5.205  -9.461  -4.579
 1070   1HD2  LEU 135          1HD2      LEU 135  -6.777 -11.616  -2.452
 1071   2HD2  LEU 135          2HD2      LEU 135  -7.203 -12.722  -3.757
 1072   3HD2  LEU 135          3HD2      LEU 135  -8.408 -11.601  -3.120
 1073    H    VAL 136           H        VAL 136  -9.135 -12.913  -4.714
 1074    HA   VAL 136           HA       VAL 136 -11.345 -12.475  -2.851
 1075    HB   VAL 136           HB       VAL 136 -12.524 -13.510  -4.601
 1076   1HG1  VAL 136          1HG1      VAL 136 -10.306 -14.284  -5.705
 1077   2HG1  VAL 136          2HG1      VAL 136 -11.776 -15.216  -5.990
 1078   3HG1  VAL 136          3HG1      VAL 136 -10.584 -15.782  -4.819
 1079   1HG2  VAL 136          1HG2      VAL 136 -12.322 -16.096  -3.516
 1080   2HG2  VAL 136          2HG2      VAL 136 -13.498 -14.843  -3.118
 1081   3HG2  VAL 136          3HG2      VAL 136 -12.002 -14.973  -2.196
 1082    H    PHE 137           H        PHE 137 -10.905 -13.227  -0.880
 1083    HA   PHE 137           HA       PHE 137  -8.390 -14.340  -0.265
 1084   1HB   PHE 137          2HB       PHE 137 -10.912 -14.091   1.387
 1085   2HB   PHE 137          1HB       PHE 137  -9.371 -14.632   2.034
 1086    HD1  PHE 137           1HD      PHE 137 -10.596 -11.812  -0.082
 1087    HD2  PHE 137           2HD      PHE 137  -8.221 -13.036   3.231
 1088    HE1  PHE 137           1HE      PHE 137  -9.961  -9.471   0.325
 1089    HE2  PHE 137           2HE      PHE 137  -7.587 -10.697   3.647
 1090    HZ   PHE 137           HZ       PHE 137  -8.459  -8.923   2.261
 1091    HA   PRO 138           HA       PRO 138  -8.729 -18.728  -0.566
 1092   1HB   PRO 138          2HB       PRO 138  -8.287 -18.886   2.379
 1093   2HB   PRO 138          1HB       PRO 138  -7.440 -19.717   1.070
 1094   1HG   PRO 138          2HG       PRO 138  -6.312 -17.660   2.326
 1095   2HG   PRO 138          1HG       PRO 138  -6.124 -17.871   0.576
 1096   1HD   PRO 138          2HD       PRO 138  -7.837 -15.951   2.081
 1097   2HD   PRO 138          1HD       PRO 138  -6.987 -15.739   0.539
 1098    H    ASP 139           H        ASP 139 -10.653 -16.905   1.589
 1099    HA   ASP 139           HA       ASP 139 -12.405 -19.069   2.368
 1100   1HB   ASP 139          2HB       ASP 139 -11.834 -17.024   3.789
 1101   2HB   ASP 139          1HB       ASP 139 -12.894 -16.113   2.721
 1102    H    GLY 140           H        GLY 140 -13.006 -15.947   0.742
 1103   1HA   GLY 140          2HA       GLY 140 -14.140 -16.803  -1.595
 1104   2HA   GLY 140          1HA       GLY 140 -15.448 -16.902  -0.426
 1105    H    GLU 141           H        GLU 141 -13.906 -14.519   0.908
 1106    HA   GLU 141           HA       GLU 141 -15.595 -12.488  -0.141
 1107   1HB   GLU 141          2HB       GLU 141 -13.325 -12.500   1.825
 1108   2HB   GLU 141          1HB       GLU 141 -14.066 -10.996   1.301
 1109   1HG   GLU 141          2HG       GLU 141 -15.022 -11.706   3.394
 1110   2HG   GLU 141          1HG       GLU 141 -16.234 -11.792   2.120
 1111    H    MET 142           H        MET 142 -14.715 -10.330  -0.821
 1112    HA   MET 142           HA       MET 142 -12.259 -10.510  -2.409
 1113   1HB   MET 142          2HB       MET 142 -14.929  -9.606  -3.507
 1114   2HB   MET 142          1HB       MET 142 -13.394  -9.494  -4.356
 1115   1HG   MET 142          2HG       MET 142 -13.199 -11.931  -4.320
 1116   2HG   MET 142          1HG       MET 142 -14.743 -12.037  -3.479
 1117   1HE   MET 142          1HE       MET 142 -13.714  -9.555  -6.308
 1118   2HE   MET 142          2HE       MET 142 -14.321 -10.357  -7.756
 1119   3HE   MET 142          3HE       MET 142 -12.958 -11.043  -6.873
 1120    H    LEU 143           H        LEU 143 -11.677  -8.253  -3.333
 1121    HA   LEU 143           HA       LEU 143 -11.596  -6.415  -1.200
 1122   1HB   LEU 143          2HB       LEU 143  -9.919  -6.665  -3.030
 1123   2HB   LEU 143          1HB       LEU 143 -11.078  -5.964  -4.140
 1124    HG   LEU 143           HG       LEU 143 -10.998  -3.852  -2.947
 1125   1HD1  LEU 143          1HD1      LEU 143 -10.053  -3.532  -0.925
 1126   2HD1  LEU 143          2HD1      LEU 143  -8.707  -4.620  -1.269
 1127   3HD1  LEU 143          3HD1      LEU 143 -10.264  -5.276  -0.763
 1128   1HD2  LEU 143          1HD2      LEU 143  -9.332  -3.417  -4.339
 1129   2HD2  LEU 143          2HD2      LEU 143  -8.829  -5.106  -4.317
 1130   3HD2  LEU 143          3HD2      LEU 143  -8.197  -3.982  -3.115
 1131    H    ARG 144           H        ARG 144 -13.828  -7.070  -3.698
 1132    HA   ARG 144           HA       ARG 144 -15.156  -4.495  -3.612
 1133   1HB   ARG 144          2HB       ARG 144 -14.997  -5.919  -5.684
 1134   2HB   ARG 144          1HB       ARG 144 -16.069  -7.074  -4.910
 1135   1HG   ARG 144          2HG       ARG 144 -16.827  -4.204  -5.397
 1136   2HG   ARG 144          1HG       ARG 144 -17.129  -5.493  -6.559
 1137   1HD   ARG 144          2HD       ARG 144 -18.456  -6.681  -4.855
 1138   2HD   ARG 144          1HD       ARG 144 -18.191  -5.341  -3.741
 1139    HE   ARG 144           HE       ARG 144 -20.165  -5.470  -5.730
 1140   1HH1  ARG 144          1HH1      ARG 144 -17.844  -3.225  -4.410
 1141   2HH1  ARG 144          2HH1      ARG 144 -18.770  -1.826  -4.831
 1142   1HH2  ARG 144          1HH2      ARG 144 -21.388  -3.631  -6.284
 1143   2HH2  ARG 144          2HH2      ARG 144 -20.783  -2.055  -5.895
 1144    H    GLN 145           H        GLN 145 -15.742  -7.821  -2.573
 1145    HA   GLN 145           HA       GLN 145 -18.276  -7.490  -1.448
 1146   1HB   GLN 145          2HB       GLN 145 -17.373  -9.686  -1.846
 1147   2HB   GLN 145          1HB       GLN 145 -16.029  -9.388  -0.756
 1148   1HG   GLN 145          2HG       GLN 145 -18.840  -9.313   0.247
 1149   2HG   GLN 145          1HG       GLN 145 -18.005 -10.845   0.024
 1150   1HE2  GLN 145          1HE2      GLN 145 -15.513  -9.054   0.718
 1151   2HE2  GLN 145          2HE2      GLN 145 -15.509  -9.111   2.440
 1152    H    ILE 146           H        ILE 146 -15.065  -7.102  -0.031
 1153    HA   ILE 146           HA       ILE 146 -15.875  -6.642   2.615
 1154    HB   ILE 146           HB       ILE 146 -13.409  -5.754   1.126
 1155   1HG1  ILE 146          2HG1      ILE 146 -14.006  -8.238   1.520
 1156   2HG1  ILE 146          1HG1      ILE 146 -12.395  -7.702   1.952
 1157   1HG2  ILE 146          1HG2      ILE 146 -13.846  -4.294   3.067
 1158   2HG2  ILE 146          2HG2      ILE 146 -12.392  -5.273   3.267
 1159   3HG2  ILE 146          3HG2      ILE 146 -13.877  -5.720   4.105
 1160   1HD1  ILE 146          1HD1      ILE 146 -12.846  -7.809   4.236
 1161   2HD1  ILE 146          2HD1      ILE 146 -13.650  -9.232   3.573
 1162   3HD1  ILE 146          3HD1      ILE 146 -14.591  -7.796   3.981
 1163    H    LEU 147           H        LEU 147 -15.509  -4.459  -0.136
 1164    HA   LEU 147           HA       LEU 147 -15.915  -2.086   1.414
 1165   1HB   LEU 147          2HB       LEU 147 -15.885  -2.678  -1.529
 1166   2HB   LEU 147          1HB       LEU 147 -16.410  -1.113  -0.937
 1167    HG   LEU 147           HG       LEU 147 -13.694  -2.345  -0.461
 1168   1HD1  LEU 147          1HD1      LEU 147 -13.384  -1.638  -2.574
 1169   2HD1  LEU 147          2HD1      LEU 147 -13.279  -0.046  -1.823
 1170   3HD1  LEU 147          3HD1      LEU 147 -14.798  -0.585  -2.538
 1171   1HD2  LEU 147          1HD2      LEU 147 -13.312   0.159   0.226
 1172   2HD2  LEU 147          2HD2      LEU 147 -13.961  -1.004   1.384
 1173   3HD2  LEU 147          3HD2      LEU 147 -15.046   0.112   0.551
 1174    H    HIS 148           H        HIS 148 -17.950  -4.504   0.135
 1175    HA   HIS 148           HA       HIS 148 -20.306  -2.919  -0.199
 1176   1HB   HIS 148          2HB       HIS 148 -20.024  -5.078  -1.346
 1177   2HB   HIS 148          1HB       HIS 148 -20.010  -5.906   0.207
 1178    HD1  HIS 148           1HD      HIS 148 -22.403  -3.460  -1.483
 1179    HD2  HIS 148           2HD      HIS 148 -22.416  -7.018   0.661
 1180    HE1  HIS 148           1HE      HIS 148 -24.821  -4.129  -1.305
 1181    HE2  HIS 148           2HE      HIS 148 -24.798  -6.317  -0.056
 1182    H    THR 149           H        THR 149 -18.921  -4.851   2.396
 1183    HA   THR 149           HA       THR 149 -21.173  -4.316   4.156
 1184    HB   THR 149           HB       THR 149 -18.569  -5.781   4.640
 1185    HG1  THR 149           1HG      THR 149 -19.569  -7.336   3.685
 1186   1HG2  THR 149          1HG2      THR 149 -19.083  -6.062   6.772
 1187   2HG2  THR 149          2HG2      THR 149 -20.747  -6.501   6.381
 1188   3HG2  THR 149          3HG2      THR 149 -20.303  -4.804   6.569
 1189    H    ARG 150           H        ARG 150 -17.647  -3.810   4.303
 1190    HA   ARG 150           HA       ARG 150 -17.618  -2.072   6.479
 1191   1HB   ARG 150          2HB       ARG 150 -15.746  -2.166   4.104
 1192   2HB   ARG 150          1HB       ARG 150 -15.418  -1.319   5.608
 1193   1HG   ARG 150          2HG       ARG 150 -15.869  -4.286   5.388
 1194   2HG   ARG 150          1HG       ARG 150 -14.285  -3.508   5.424
 1195   1HD   ARG 150          2HD       ARG 150 -14.859  -2.538   7.627
 1196   2HD   ARG 150          1HD       ARG 150 -16.384  -3.422   7.592
 1197    HE   ARG 150           HE       ARG 150 -13.883  -4.441   8.383
 1198   1HH1  ARG 150          1HH1      ARG 150 -16.705  -5.346   6.544
 1199   2HH1  ARG 150          2HH1      ARG 150 -16.497  -7.042   6.819
 1200   1HH2  ARG 150          1HH2      ARG 150 -13.605  -6.673   8.749
 1201   2HH2  ARG 150          2HH2      ARG 150 -14.736  -7.797   8.071
 1202    H    ALA 151           H        ALA 151 -17.702  -1.340   3.006
 1203    HA   ALA 151           HA       ALA 151 -18.414   0.465   1.831
 1204   1HB   ALA 151          1HB       ALA 151 -20.380   1.350   2.463
 1205   2HB   ALA 151          2HB       ALA 151 -19.782   1.804   4.058
 1206   3HB   ALA 151          3HB       ALA 151 -20.300   0.147   3.751
 1207    H    PHE 152           H        PHE 152 -15.959   0.839   2.251
 1208    HA   PHE 152           HA       PHE 152 -15.636   3.470   3.514
 1209   1HB   PHE 152          2HB       PHE 152 -13.712   1.168   3.261
 1210   2HB   PHE 152          1HB       PHE 152 -13.155   2.804   3.578
 1211    HD1  PHE 152           1HD      PHE 152 -12.536   3.070   5.760
 1212    HD2  PHE 152           2HD      PHE 152 -15.970   0.716   4.885
 1213    HE1  PHE 152           1HE      PHE 152 -12.914   2.735   8.168
 1214    HE2  PHE 152           2HE      PHE 152 -16.356   0.380   7.292
 1215    HZ   PHE 152           HZ       PHE 152 -14.828   1.389   8.936
 1216    H    ASP 153           H        ASP 153 -16.647   3.478   1.011
 1217    HA   ASP 153           HA       ASP 153 -14.612   3.653  -1.003
 1218   1HB   ASP 153          2HB       ASP 153 -17.456   4.700  -1.011
 1219   2HB   ASP 153          1HB       ASP 153 -16.406   4.583  -2.420
 1220    H    LYS 154           H        LYS 154 -14.588   5.256   1.542
 1221    HA   LYS 154           HA       LYS 154 -14.945   7.975   1.114
 1222   1HB   LYS 154          2HB       LYS 154 -13.032   6.464   2.894
 1223   2HB   LYS 154          1HB       LYS 154 -13.360   8.193   3.033
 1224   1HG   LYS 154          2HG       LYS 154 -15.716   7.683   3.504
 1225   2HG   LYS 154          1HG       LYS 154 -15.359   5.961   3.383
 1226   1HD   LYS 154          2HD       LYS 154 -14.120   7.865   5.371
 1227   2HD   LYS 154          1HD       LYS 154 -15.434   6.743   5.720
 1228   1HE   LYS 154          2HE       LYS 154 -13.979   4.857   5.173
 1229   2HE   LYS 154          1HE       LYS 154 -12.669   5.971   4.785
 1230   1HZ   LYS 154          1HZ       LYS 154 -13.941   5.961   7.453
 1231   2HZ   LYS 154          2HZ       LYS 154 -12.430   6.576   7.008
 1232   3HZ   LYS 154          3HZ       LYS 154 -12.674   4.905   7.078
 1233    H    LEU 155           H        LEU 155 -12.216   8.665   2.089
 1234    HA   LEU 155           HA       LEU 155 -10.330   9.603   1.304
 1235   1HB   LEU 155          2HB       LEU 155 -10.314   7.324  -0.660
 1236   2HB   LEU 155          1HB       LEU 155  -8.948   8.319  -0.204
 1237    HG   LEU 155           HG       LEU 155 -10.327   6.188   1.412
 1238   1HD1  LEU 155          1HD1      LEU 155  -8.639   5.028   0.574
 1239   2HD1  LEU 155          2HD1      LEU 155  -7.573   6.001   1.588
 1240   3HD1  LEU 155          3HD1      LEU 155  -7.876   6.475  -0.083
 1241   1HD2  LEU 155          1HD2      LEU 155  -8.151   7.425   2.819
 1242   2HD2  LEU 155          2HD2      LEU 155  -9.803   7.119   3.355
 1243   3HD2  LEU 155          3HD2      LEU 155  -9.417   8.607   2.492
 1244    H    ASN 156           H        ASN 156 -10.910  11.522   0.440
 1245    HA   ASN 156           HA       ASN 156 -12.064  11.743  -2.187
 1246   1HB   ASN 156          2HB       ASN 156 -12.631  13.399  -0.497
 1247   2HB   ASN 156          1HB       ASN 156 -10.933  13.815  -0.289
 1248   1HD2  ASN 156          1HD2      ASN 156 -10.376  15.615  -1.215
 1249   2HD2  ASN 156          2HD2      ASN 156 -11.051  16.278  -2.657
 1250    H    LYS 157           H        LYS 157 -10.970  12.901  -3.972
 1251    HA   LYS 157           HA       LYS 157  -8.233  11.999  -4.226
 1252   1HB   LYS 157          2HB       LYS 157 -10.133  13.324  -6.158
 1253   2HB   LYS 157          1HB       LYS 157  -8.477  12.902  -6.571
 1254   1HG   LYS 157          2HG       LYS 157  -8.917  10.575  -6.249
 1255   2HG   LYS 157          1HG       LYS 157 -10.520  10.916  -5.609
 1256   1HD   LYS 157          2HD       LYS 157 -10.665  10.162  -7.918
 1257   2HD   LYS 157          1HD       LYS 157 -11.189  11.840  -7.781
 1258   1HE   LYS 157          2HE       LYS 157  -9.783  11.542  -9.740
 1259   2HE   LYS 157          1HE       LYS 157  -8.988  12.584  -8.563
 1260   1HZ   LYS 157          1HZ       LYS 157  -7.799  10.519  -7.794
 1261   2HZ   LYS 157          2HZ       LYS 157  -7.360  11.094  -9.323
 1262   3HZ   LYS 157          3HZ       LYS 157  -8.383   9.754  -9.185
 1263    H    TRP 158           H        TRP 158  -6.427  13.221  -4.492
 1264    HA   TRP 158           HA       TRP 158  -5.983  15.519  -3.131
 1265   1HB   TRP 158          2HB       TRP 158  -4.199  14.143  -4.096
 1266   2HB   TRP 158          1HB       TRP 158  -4.639  14.679  -5.711
 1267    HD1  TRP 158           HD       TRP 158  -3.519  16.840  -6.582
 1268    HE1  TRP 158           1HE      TRP 158  -1.913  18.578  -5.575
 1269    HE3  TRP 158           3HE      TRP 158  -3.638  15.326  -1.700
 1270    HZ2  TRP 158           2HZ      TRP 158  -0.830  19.219  -3.049
 1271    HZ3  TRP 158           3HZ      TRP 158  -2.283  16.552  -0.054
 1272    HH2  TRP 158           HH       TRP 158  -0.908  18.458  -0.715