*HEADER    TRANSFERASE                             28-NOV-05   2F65              
*TITLE     SOLUTION STRUCTURE OF HPPK IN COMPLEX WITH INHIBITOR ANALOG           
*TITLE    2 AMPCPP                                                               
*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 2F65    0                                                


 ASSI {    1}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 3    and name HA  ))
      6.000     4.500     0.000 peak     1 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.281 ppm2      4.972 CV     1
 ASSI {    2}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 101  and name HA  ))
      6.000     4.500     0.000 peak     2 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.286 ppm2      4.529 CV     1
 ASSI {    5}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 4    and name HN  ))
      6.000     4.500     0.000 peak     5 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.274 ppm2      8.612 CV     1
 ASSI {    6}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 102  and name HN  ))
      6.000     4.500     0.000 peak     6 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.278 ppm2      8.378 CV     1
 ASSI {    7}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 61   and name HA  ))
      6.000     4.500     0.000 peak     7 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.277 ppm2      4.744 CV     1
 ASSI {    9}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 2    and name HA  ))
      6.000     4.500     0.000 peak     9 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.276 ppm2      4.219 CV     1
 ASSI {   12}
   (( segid "    " and resid 3    and name HN  ))
   (  segid "    " and resid 3    and name HB% )
      6.000     4.500     0.000 peak    12 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.277 ppm2      1.219 CV     1
 ASSI {   13}
   (( segid "    " and resid 3    and name HN  ))
   (  segid "    " and resid 62   and name HG2%)
      6.000     4.500     0.000 peak    13 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.277 ppm2      1.082 CV     1
 ASSI {   16}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 1    and name HG21))
      6.000     4.500     0.000 peak    16 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.277 ppm2      0.514 CV     1
 ASSI {   17}
   (( segid "    " and resid 3    and name HN  ))
   (  segid "    " and resid 2    and name HG1%)
      6.000     4.500     0.000 peak    17 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.275 ppm2      0.133 CV     1
 ASSI {   22}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 59   and name HA  ))
      6.000     4.500     0.000 peak    22 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.974 ppm2      4.822 CV     1
 ASSI {   23}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 98   and name HA  ))
      6.000     4.500     0.000 peak    23 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.977 ppm2      4.189 CV     1
 ASSI {   24}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 99   and name HG2 ))
      6.000     4.500     0.000 peak    24 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.973 ppm2      2.655 CV     1
 ASSI {   26}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 5    and name HG12))
      6.000     4.500     0.000 peak    26 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.975 ppm2      1.548 CV     1
 ASSI {   28}
   (( segid "    " and resid 6    and name HN  ))
   (  segid "    " and resid 5    and name HG2%)
      6.000     4.500     0.000 peak    28 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.973 ppm2      0.829 CV     1
 ASSI {   29}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 99   and name HN  ))
      6.000     4.500     0.000 peak    29 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.968 ppm2      9.562 CV     1
 ASSI {   30}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 96   and name HA  ))
      6.000     4.500     0.000 peak    30 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.965 ppm2      5.443 CV     1
 ASSI {   31}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 5    and name HA  ))
      6.000     4.500     0.000 peak    31 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.969 ppm2      4.953 CV     1
 ASSI {   38}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 97   and name HB1 ))
      6.000     4.500     0.000 peak    38 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.966 ppm2      2.520 CV     1
 ASSI {   47}
   (( segid "    " and resid 96   and name HN  ))
   (( segid "    " and resid 97   and name HN  ))
      6.000     4.500     0.000 peak    47 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1     10.550 ppm2      8.830 CV     1
 ASSI {   48}
   (( segid "    " and resid 96   and name HN  ))
   (( segid "    " and resid 95   and name HA  ))
      6.000     4.500     0.000 peak    48 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1     10.553 ppm2      5.158 CV     1
 ASSI {   50}
   (( segid "    " and resid 96   and name HN  ))
   (( segid "    " and resid 77   and name HG2 ))
      6.000     4.500     0.000 peak    50 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1     10.547 ppm2      2.822 CV     1
 ASSI {   51}
   (( segid "    " and resid 96   and name HN  ))
   (( segid "    " and resid 96   and name HB1 ))
      6.000     4.500     0.000 peak    51 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1     10.550 ppm2      2.068 CV     1
 ASSI {   52}
   (( segid "    " and resid 96   and name HN  ))
   (( segid "    " and resid 96   and name HG  ))
      6.000     4.500     0.000 peak    52 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1     10.555 ppm2      1.599 CV     1
 ASSI {   53}
   (( segid "    " and resid 96   and name HN  ))
   (  segid "    " and resid 21   and name HB% )
      6.000     4.500     0.000 peak    53 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1     10.554 ppm2      1.427 CV     1
 ASSI {   54}
   (( segid "    " and resid 96   and name HN  ))
   (( segid "    " and resid 96   and name HB2 ))
      6.000     4.500     0.000 peak    54 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1     10.552 ppm2      0.958 CV     1
 ASSI {   56}
   (( segid "    " and resid 96   and name HN  ))
   (( segid "    " and resid 95   and name HN  ))
      6.000     4.500     0.000 peak    56 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1     10.540 ppm2      9.249 CV     1
 ASSI {   59}
   (( segid "    " and resid 96   and name HN  ))
   (( segid "    " and resid 95   and name HB1 ))
      6.000     4.500     0.000 peak    59 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1     10.550 ppm2      2.535 CV     1
 ASSI {   76}
   (( segid "    " and resid 106  and name HN  ))
   (( segid "    " and resid 100  and name HA  ))
      6.000     4.500     0.000 peak    76 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.426 ppm2      4.806 CV     1
 ASSI {   77}
   (( segid "    " and resid 106  and name HN  ))
   (( segid "    " and resid 114  and name HD2 ))
      6.000     4.500     0.000 peak    77 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.427 ppm2      3.670 CV     1
 ASSI {   79}
   (( segid "    " and resid 106  and name HN  ))
   (( segid "    " and resid 105  and name HN  ))
      6.000     4.500     0.000 peak    79 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.419 ppm2      8.188 CV     1
 ASSI {   80}
   (( segid "    " and resid 106  and name HN  ))
   (( segid "    " and resid 112  and name HA  ))
      6.000     4.500     0.000 peak    80 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.421 ppm2      5.217 CV     1
 ASSI {   81}
   (( segid "    " and resid 106  and name HN  ))
   (( segid "    " and resid 105  and name HA  ))
      6.000     4.500     0.000 peak    81 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.416 ppm2      4.665 CV     1
 ASSI {   85}
   (( segid "    " and resid 106  and name HN  ))
   (( segid "    " and resid 113  and name HB  ))
      6.000     4.500     0.000 peak    85 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.418 ppm2      1.861 CV     1
 ASSI {   86}
   (( segid "    " and resid 106  and name HN  ))
   (( segid "    " and resid 106  and name HB  ))
      6.000     4.500     0.000 peak    86 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.416 ppm2      1.419 CV     1
 ASSI {   87}
   (( segid "    " and resid 106  and name HN  ))
   (  segid "    " and resid 113  and name HG2%)
      6.000     4.500     0.000 peak    87 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.414 ppm2      1.142 CV     1
 ASSI {   89}
   (( segid "    " and resid 106  and name HN  ))
   (  segid "    " and resid 106  and name HG2%)
      6.000     4.500     0.000 peak    89 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.416 ppm2      0.897 CV     1
 ASSI {   90}
   (( segid "    " and resid 106  and name HN  ))
   (  segid "    " and resid 106  and name HD1%)
      6.000     4.500     0.000 peak    90 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.419 ppm2      0.614 CV     1
 ASSI {   95}
   (( segid "    " and resid 106  and name HN  ))
   (( segid "    " and resid 107  and name HN  ))
      6.000     4.500     0.000 peak    95 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.415 ppm2      9.201 CV     1
 ASSI {   97}
   (( segid "    " and resid 106  and name HN  ))
   (( segid "    " and resid 104  and name HB2 ))
      6.000     4.500     0.000 peak    97 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.415 ppm2      2.189 CV     1
 ASSI {   98}
   (( segid "    " and resid 132  and name HN  ))
   (( segid "    " and resid 129  and name HB1 ))
      6.000     4.500     0.000 peak    98 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.328 ppm2      2.897 CV     1
 ASSI {  102}
   (( segid "    " and resid 132  and name HN  ))
   (( segid "    " and resid 130  and name HN  ))
      6.000     4.500     0.000 peak   102 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.323 ppm2      7.605 CV     1
 ASSI {  104}
   (( segid "    " and resid 132  and name HN  ))
   (( segid "    " and resid 131  and name HN  ))
      6.000     4.500     0.000 peak   104 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.322 ppm2      6.912 CV     1
 ASSI {  106}
   (( segid "    " and resid 132  and name HN  ))
   (( segid "    " and resid 128  and name HN  ))
      6.000     4.500     0.000 peak   106 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.323 ppm2      6.506 CV     1
 ASSI {  108}
   (( segid "    " and resid 132  and name HN  ))
   (( segid "    " and resid 132  and name HA  ))
      6.000     4.500     0.000 peak   108 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.323 ppm2      4.765 CV     1
 ASSI {  110}
   (( segid "    " and resid 132  and name HN  ))
   (( segid "    " and resid 131  and name HA  ))
      6.000     4.500     0.000 peak   110 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.323 ppm2      4.477 CV     1
 ASSI {  113}
   (( segid "    " and resid 132  and name HN  ))
   (( segid "    " and resid 133  and name HD2 ))
      6.000     4.500     0.000 peak   113 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.325 ppm2      3.419 CV     1
 ASSI {  114}
   (( segid "    " and resid 132  and name HN  ))
   (( segid "    " and resid 133  and name HD1 ))
      6.000     4.500     0.000 peak   114 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.323 ppm2      3.114 CV     1
 ASSI {  116}
   (( segid "    " and resid 132  and name HN  ))
   (( segid "    " and resid 130  and name HB2 ))
      6.000     4.500     0.000 peak   116 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.327 ppm2      2.612 CV     1
 ASSI {  118}
   (( segid "    " and resid 132  and name HN  ))
   (( segid "    " and resid 131  and name HB  ))
      6.000     4.500     0.000 peak   118 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.321 ppm2      2.136 CV     1
 ASSI {  119}
   (( segid "    " and resid 132  and name HN  ))
   (( segid "    " and resid 128  and name HB1 ))
      6.000     4.500     0.000 peak   119 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.323 ppm2      2.006 CV     1
 ASSI {  120}
   (( segid "    " and resid 132  and name HN  ))
   (( segid "    " and resid 133  and name HG1 ))
      6.000     4.500     0.000 peak   120 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.323 ppm2      1.789 CV     1
 OR {  120}
   (( segid "    " and resid 132  and name HN  ))
   (( segid "    " and resid 133  and name HG2 ))
 ASSI {  121}
   (( segid "    " and resid 132  and name HN  ))
   (( segid "    " and resid 131  and name HG11))
      6.000     4.500     0.000 peak   121 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.324 ppm2      1.606 CV     1
 ASSI {  122}
   (( segid "    " and resid 132  and name HN  ))
   (( segid "    " and resid 131  and name HG12))
      6.000     4.500     0.000 peak   122 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.322 ppm2      1.479 CV     1
 ASSI {  125}
   (( segid "    " and resid 132  and name HN  ))
   (  segid "    " and resid 132  and name HB% )
      6.000     4.500     0.000 peak   125 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.323 ppm2      0.993 CV     1
 ASSI {  127}
   (( segid "    " and resid 132  and name HN  ))
   (  segid "    " and resid 128  and name HD1%)
      6.000     4.500     0.000 peak   127 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.323 ppm2      0.589 CV     1
 OR {  127}
   (( segid "    " and resid 132  and name HN  ))
   (  segid "    " and resid 128  and name HD2%)
 ASSI {  129}
   (( segid "    " and resid 132  and name HN  ))
   (( segid "    " and resid 128  and name HG  ))
      6.000     4.500     0.000 peak   129 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.323 ppm2      0.282 CV     1
 ASSI {  133}
   (( segid "    " and resid 34   and name HN  ))
   (  segid "    " and resid 60   and name HD2%)
      6.000     4.500     0.000 peak   133 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.165 ppm2      0.644 CV     1
 ASSI {  138}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 60   and name HN  ))
      6.000     4.500     0.000 peak   138 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.789 ppm2      9.312 CV     1
 ASSI {  140}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 32   and name HN  ))
      6.000     4.500     0.000 peak   140 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.794 ppm2      8.981 CV     1
 ASSI {  142}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 35   and name HN  ))
      6.000     4.500     0.000 peak   142 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.788 ppm2      7.353 CV     1
 ASSI {  143}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 31   and name HA  ))
      6.000     4.500     0.000 peak   143 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.791 ppm2      5.917 CV     1
 ASSI {  146}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 34   and name HA  ))
      6.000     4.500     0.000 peak   146 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.792 ppm2      4.501 CV     1
 ASSI {  147}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 33   and name HA  ))
      6.000     4.500     0.000 peak   147 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.791 ppm2      3.873 CV     1
 ASSI {  148}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 61   and name HG1 ))
      6.000     4.500     0.000 peak   148 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.790 ppm2      2.205 CV     1
 ASSI {  149}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 61   and name HG2 ))
      6.000     4.500     0.000 peak   149 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.791 ppm2      1.905 CV     1
 ASSI {  150}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 61   and name HB2 ))
      6.000     4.500     0.000 peak   150 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.787 ppm2      1.743 CV     1
 ASSI {  151}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 34   and name HB2 ))
      6.000     4.500     0.000 peak   151 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.791 ppm2      1.521 CV     1
 ASSI {  153}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 60   and name HB2 ))
      6.000     4.500     0.000 peak   153 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.791 ppm2      0.989 CV     1
 ASSI {  155}
   (( segid "    " and resid 61   and name HN  ))
   (  segid "    " and resid 60   and name HD2%)
      6.000     4.500     0.000 peak   155 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.792 ppm2      0.666 CV     1
 ASSI {  160}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 57   and name HA  ))
      6.000     4.500     0.000 peak   160 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.608 ppm2      5.631 CV     1
 ASSI {  162}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 60   and name HN  ))
      6.000     4.500     0.000 peak   162 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.596 ppm2      9.323 CV     1
 ASSI {  163}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 35   and name HN  ))
      6.000     4.500     0.000 peak   163 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.600 ppm2      7.358 CV     1
 ASSI {  164}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 58   and name HA  ))
      6.000     4.500     0.000 peak   164 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.600 ppm2      4.924 CV     1
 ASSI {  165}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 59   and name HA  ))
      6.000     4.500     0.000 peak   165 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.603 ppm2      4.831 CV     1
 ASSI {  167}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 35   and name HA  ))
      6.000     4.500     0.000 peak   167 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.600 ppm2      4.582 CV     1
 ASSI {  168}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 35   and name HB  ))
      6.000     4.500     0.000 peak   168 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.598 ppm2      4.090 CV     1
 ASSI {  169}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 60   and name HB1 ))
      6.000     4.500     0.000 peak   169 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.593 ppm2      1.805 CV     1
 ASSI {  170}
   (( segid "    " and resid 59   and name HN  ))
   (  segid "    " and resid 59   and name HB% )
      6.000     4.500     0.000 peak   170 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.601 ppm2      1.241 CV     1
 ASSI {  171}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 5    and name HG11))
      6.000     4.500     0.000 peak   171 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.597 ppm2      1.102 CV     1
 ASSI {  172}
   (( segid "    " and resid 59   and name HN  ))
   (  segid "    " and resid 58   and name HG2%)
      6.000     4.500     0.000 peak   172 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.600 ppm2      0.970 CV     1
 ASSI {  176}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 61   and name HN  ))
      6.000     4.500     0.000 peak   176 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.155 ppm2      8.784 CV     1
 ASSI {  177}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 59   and name HN  ))
      6.000     4.500     0.000 peak   177 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.160 ppm2      8.598 CV     1
 ASSI {  178}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 35   and name HN  ))
      6.000     4.500     0.000 peak   178 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.158 ppm2      7.357 CV     1
 ASSI {  179}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 60   and name HA  ))
      6.000     4.500     0.000 peak   179 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.158 ppm2      4.739 CV     1
 ASSI {  180}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 34   and name HA  ))
      6.000     4.500     0.000 peak   180 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.159 ppm2      4.504 CV     1
 ASSI {  181}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 33   and name HA  ))
      6.000     4.500     0.000 peak   181 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.157 ppm2      3.871 CV     1
 ASSI {  182}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 34   and name HB2 ))
      6.000     4.500     0.000 peak   182 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.158 ppm2      1.536 CV     1
 ASSI {  189}
   (( segid "    " and resid 2    and name HN  ))
   (( segid "    " and resid 4    and name HN  ))
      6.000     4.500     0.000 peak   189 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.758 ppm2      8.618 CV     1
 ASSI {  190}
   (( segid "    " and resid 2    and name HN  ))
   (( segid "    " and resid 102  and name HN  ))
      6.000     4.500     0.000 peak   190 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.754 ppm2      8.392 CV     1
 ASSI {  192}
   (( segid "    " and resid 2    and name HN  ))
   (( segid "    " and resid 2    and name HA  ))
      6.000     4.500     0.000 peak   192 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.754 ppm2      4.219 CV     1
 ASSI {  193}
   (( segid "    " and resid 2    and name HN  ))
   (( segid "    " and resid 102  and name HA2 ))
      6.000     4.500     0.000 peak   193 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.754 ppm2      3.871 CV     1
 OR {  193}
   (( segid "    " and resid 2    and name HN  ))
   (( segid "    " and resid 102  and name HA1 ))
 ASSI {  195}
   (( segid "    " and resid 2    and name HN  ))
   (( segid "    " and resid 1    and name HA  ))
      6.000     4.500     0.000 peak   195 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.753 ppm2      3.610 CV     1
 ASSI {  197}
   (( segid "    " and resid 2    and name HN  ))
   (( segid "    " and resid 2    and name HB  ))
      6.000     4.500     0.000 peak   197 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.754 ppm2      1.754 CV     1
 ASSI {  198}
   (( segid "    " and resid 2    and name HN  ))
   (  segid "    " and resid 2    and name HG2%)
      6.000     4.500     0.000 peak   198 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.753 ppm2      0.768 CV     1
 ASSI {  199}
   (( segid "    " and resid 2    and name HN  ))
   (( segid "    " and resid 1    and name HG21))
      6.000     4.500     0.000 peak   199 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.753 ppm2      0.518 CV     1
 ASSI {  200}
   (( segid "    " and resid 2    and name HN  ))
   (  segid "    " and resid 2    and name HG1%)
      6.000     4.500     0.000 peak   200 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.754 ppm2      0.135 CV     1
 ASSI {  202}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 128  and name HG  ))
      6.000     4.500     0.000 peak   202 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.606 ppm2      0.297 CV     1
 ASSI {  205}
   (( segid "    " and resid 99   and name HN  ))
   (( segid "    " and resid 59   and name HA  ))
      6.000     4.500     0.000 peak   205 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.594 ppm2      4.817 CV     1
 ASSI {  207}
   (( segid "    " and resid 99   and name HN  ))
   (( segid "    " and resid 98   and name HG12))
      6.000     4.500     0.000 peak   207 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.598 ppm2      1.875 CV     1
 ASSI {  211}
   (( segid "    " and resid 99   and name HN  ))
   (( segid "    " and resid 4    and name HN  ))
      6.000     4.500     0.000 peak   211 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.589 ppm2      8.625 CV     1
 ASSI {  212}
   (( segid "    " and resid 99   and name HN  ))
   (( segid "    " and resid 100  and name HN  ))
      6.000     4.500     0.000 peak   212 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.585 ppm2      7.491 CV     1
 ASSI {  213}
   (( segid "    " and resid 99   and name HN  ))
   (( segid "    " and resid 5    and name HA  ))
      6.000     4.500     0.000 peak   213 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.586 ppm2      4.957 CV     1
 ASSI {  214}
   (( segid "    " and resid 99   and name HN  ))
   (( segid "    " and resid 99   and name HA  ))
      6.000     4.500     0.000 peak   214 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.590 ppm2      4.533 CV     1
 ASSI {  215}
   (( segid "    " and resid 99   and name HN  ))
   (( segid "    " and resid 98   and name HA  ))
      6.000     4.500     0.000 peak   215 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.589 ppm2      4.184 CV     1
 ASSI {  216}
   (( segid "    " and resid 99   and name HN  ))
   (( segid "    " and resid 99   and name HG2 ))
      6.000     4.500     0.000 peak   216 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.586 ppm2      2.667 CV     1
 ASSI {  217}
   (( segid "    " and resid 99   and name HN  ))
   (( segid "    " and resid 98   and name HB  ))
      6.000     4.500     0.000 peak   217 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.588 ppm2      2.099 CV     1
 ASSI {  218}
   (( segid "    " and resid 99   and name HN  ))
   (( segid "    " and resid 118  and name HB1 ))
      6.000     4.500     0.000 peak   218 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.583 ppm2      1.938 CV     1
 OR {  218}
   (( segid "    " and resid 99   and name HN  ))
   (( segid "    " and resid 118  and name HB2 ))
 ASSI {  219}
   (( segid "    " and resid 99   and name HN  ))
   (  segid "    " and resid 6    and name HB% )
      6.000     4.500     0.000 peak   219 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.586 ppm2      1.770 CV     1
 ASSI {  220}
   (( segid "    " and resid 99   and name HN  ))
   (( segid "    " and resid 100  and name HG  ))
      6.000     4.500     0.000 peak   220 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.585 ppm2      1.585 CV     1
 ASSI {  221}
   (( segid "    " and resid 99   and name HN  ))
   (( segid "    " and resid 5    and name HG12))
      6.000     4.500     0.000 peak   221 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.587 ppm2      1.550 CV     1
 ASSI {  222}
   (( segid "    " and resid 99   and name HN  ))
   (( segid "    " and resid 98   and name HG11))
      6.000     4.500     0.000 peak   222 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.589 ppm2      0.955 CV     1
 ASSI {  223}
   (( segid "    " and resid 99   and name HN  ))
   (  segid "    " and resid 5    and name HG2%)
      6.000     4.500     0.000 peak   223 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.585 ppm2      0.824 CV     1
 ASSI {  226}
   (( segid "    " and resid 113  and name HN  ))
   (( segid "    " and resid 112  and name HA  ))
      6.000     4.500     0.000 peak   226 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.348 ppm2      5.213 CV     1
 ASSI {  230}
   (( segid "    " and resid 113  and name HN  ))
   (( segid "    " and resid 112  and name HN  ))
      6.000     4.500     0.000 peak   230 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.343 ppm2      9.697 CV     1
 ASSI {  231}
   (( segid "    " and resid 113  and name HN  ))
   (( segid "    " and resid 108  and name HN  ))
      6.000     4.500     0.000 peak   231 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.345 ppm2      8.993 CV     1
 ASSI {  233}
   (( segid "    " and resid 113  and name HN  ))
   (( segid "    " and resid 107  and name HA  ))
      6.000     4.500     0.000 peak   233 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.344 ppm2      5.500 CV     1
 ASSI {  235}
   (( segid "    " and resid 113  and name HN  ))
   (( segid "    " and resid 107  and name HB1 ))
      6.000     4.500     0.000 peak   235 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.342 ppm2      2.709 CV     1
 ASSI {  236}
   (( segid "    " and resid 113  and name HN  ))
   (( segid "    " and resid 114  and name HB1 ))
      6.000     4.500     0.000 peak   236 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.342 ppm2      2.091 CV     1
 ASSI {  238}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 33   and name HG12))
      6.000     4.500     0.000 peak   238 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.336 ppm2      1.584 CV     1
 OR {  238}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 33   and name HG11))
 ASSI {  240}
   (( segid "    " and resid 113  and name HN  ))
   (  segid "    " and resid 113  and name HG1%)
      6.000     4.500     0.000 peak   240 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.341 ppm2      0.867 CV     1
 ASSI {  244}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 5    and name HN  ))
      6.000     4.500     0.000 peak   244 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.325 ppm2      9.550 CV     1
 ASSI {  246}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 35   and name HN  ))
      6.000     4.500     0.000 peak   246 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.328 ppm2      7.337 CV     1
 ASSI {  248}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 4    and name HA  ))
      6.000     4.500     0.000 peak   248 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.324 ppm2      5.590 CV     1
 ASSI {  249}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 59   and name HA  ))
      6.000     4.500     0.000 peak   249 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.332 ppm2      4.825 CV     1
 ASSI {  253}
   (( segid "    " and resid 60   and name HN  ))
   (  segid "    " and resid 60   and name HD2%)
      6.000     4.500     0.000 peak   253 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.328 ppm2      0.668 CV     1
 ASSI {  263}
   (( segid "    " and resid 158  and name HN  ))
   (( segid "    " and resid 40   and name HA  ))
      6.000     4.500     0.000 peak   263 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.645 ppm2      5.138 CV     1
 ASSI {  264}
   (( segid "    " and resid 158  and name HN  ))
   (( segid "    " and resid 157  and name HA  ))
      6.000     4.500     0.000 peak   264 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.646 ppm2      4.465 CV     1
 ASSI {  265}
   (( segid "    " and resid 158  and name HN  ))
   (( segid "    " and resid 158  and name HA  ))
      6.000     4.500     0.000 peak   265 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.646 ppm2      3.872 CV     1
 ASSI {  266}
   (( segid "    " and resid 158  and name HN  ))
   (( segid "    " and resid 158  and name HB2 ))
      6.000     4.500     0.000 peak   266 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.645 ppm2      3.127 CV     1
 ASSI {  267}
   (( segid "    " and resid 158  and name HN  ))
   (( segid "    " and resid 158  and name HB1 ))
      6.000     4.500     0.000 peak   267 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.645 ppm2      2.810 CV     1
 ASSI {  268}
   (( segid "    " and resid 158  and name HN  ))
   (( segid "    " and resid 157  and name HG1 ))
      6.000     4.500     0.000 peak   268 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.645 ppm2      1.567 CV     1
 ASSI {  270}
   (( segid "    " and resid 158  and name HN  ))
   (( segid "    " and resid 41   and name HN  ))
      6.000     4.500     0.000 peak   270 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.639 ppm2      8.934 CV     1
 ASSI {  272}
   (( segid "    " and resid 158  and name HN  ))
   (( segid "    " and resid 39   and name HB2 ))
      6.000     4.500     0.000 peak   272 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.637 ppm2      3.311 CV     1
 ASSI {  273}
   (( segid "    " and resid 158  and name HN  ))
   (( segid "    " and resid 157  and name HB2 ))
      6.000     4.500     0.000 peak   273 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.642 ppm2      1.965 CV     1
 ASSI {  274}
   (( segid "    " and resid 158  and name HN  ))
   (( segid "    " and resid 157  and name HB1 ))
      6.000     4.500     0.000 peak   274 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.642 ppm2      1.763 CV     1
 ASSI {  278}
   (( segid "    " and resid 136  and name HN  ))
   (( segid "    " and resid 134  and name HN  ))
      6.000     4.500     0.000 peak   278 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.401 ppm2      8.269 CV     1
 ASSI {  280}
   (( segid "    " and resid 136  and name HN  ))
   (( segid "    " and resid 135  and name HN  ))
      6.000     4.500     0.000 peak   280 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.403 ppm2      7.258 CV     1
 ASSI {  281}
   (( segid "    " and resid 136  and name HN  ))
   (( segid "    " and resid 136  and name HA  ))
      6.000     4.500     0.000 peak   281 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.402 ppm2      4.506 CV     1
 ASSI {  283}
   (( segid "    " and resid 136  and name HN  ))
   (( segid "    " and resid 136  and name HB  ))
      6.000     4.500     0.000 peak   283 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.403 ppm2      1.937 CV     1
 ASSI {  286}
   (( segid "    " and resid 136  and name HN  ))
   (  segid "    " and resid 136  and name HG2%)
      6.000     4.500     0.000 peak   286 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.404 ppm2      1.035 CV     1
 OR {  286}
   (( segid "    " and resid 136  and name HN  ))
   (  segid "    " and resid 136  and name HG1%)
 ASSI {  294}
   (( segid "    " and resid 98   and name HN  ))
   (( segid "    " and resid 97   and name HA  ))
      6.000     4.500     0.000 peak   294 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1     10.989 ppm2      5.519 CV     1
 ASSI {  296}
   (( segid "    " and resid 98   and name HN  ))
   (( segid "    " and resid 98   and name HA  ))
      6.000     4.500     0.000 peak   296 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1     10.993 ppm2      4.188 CV     1
 ASSI {  297}
   (( segid "    " and resid 98   and name HN  ))
   (( segid "    " and resid 97   and name HB1 ))
      6.000     4.500     0.000 peak   297 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1     10.992 ppm2      2.531 CV     1
 ASSI {  298}
   (( segid "    " and resid 98   and name HN  ))
   (( segid "    " and resid 97   and name HB2 ))
      6.000     4.500     0.000 peak   298 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1     10.993 ppm2      2.334 CV     1
 ASSI {  299}
   (( segid "    " and resid 98   and name HN  ))
   (( segid "    " and resid 98   and name HG12))
      6.000     4.500     0.000 peak   299 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1     10.990 ppm2      1.873 CV     1
 ASSI {  303}
   (( segid "    " and resid 98   and name HN  ))
   (  segid "    " and resid 70   and name HD2%)
      6.000     4.500     0.000 peak   303 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1     10.996 ppm2      0.688 CV     1
 ASSI {  305}
   (( segid "    " and resid 98   and name HN  ))
   (( segid "    " and resid 98   and name HB  ))
      6.000     4.500     0.000 peak   305 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1     10.984 ppm2      2.085 CV     1
 ASSI {  307}
   (( segid "    " and resid 103  and name HN  ))
   (( segid "    " and resid 104  and name HN  ))
      6.000     4.500     0.000 peak   307 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.259 ppm2      8.341 CV     1
 ASSI {  308}
   (( segid "    " and resid 103  and name HN  ))
   (( segid "    " and resid 105  and name HN  ))
      6.000     4.500     0.000 peak   308 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.260 ppm2      8.179 CV     1
 ASSI {  309}
   (( segid "    " and resid 103  and name HN  ))
   (( segid "    " and resid 103  and name HD22))
      6.000     4.500     0.000 peak   309 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.260 ppm2      7.567 CV     1
 ASSI {  311}
   (( segid "    " and resid 103  and name HN  ))
   (( segid "    " and resid 103  and name HA  ))
      6.000     4.500     0.000 peak   311 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.258 ppm2      5.169 CV     1
 ASSI {  313}
   (( segid "    " and resid 103  and name HN  ))
   (( segid "    " and resid 101  and name HA  ))
      6.000     4.500     0.000 peak   313 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.259 ppm2      4.559 CV     1
 ASSI {  314}
   (( segid "    " and resid 103  and name HN  ))
   (( segid "    " and resid 102  and name HA1 ))
      6.000     4.500     0.000 peak   314 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.260 ppm2      3.864 CV     1
 OR {  314}
   (( segid "    " and resid 103  and name HN  ))
   (( segid "    " and resid 102  and name HA2 ))
 ASSI {  315}
   (( segid "    " and resid 103  and name HN  ))
   (( segid "    " and resid 103  and name HB1 ))
      6.000     4.500     0.000 peak   315 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.259 ppm2      2.991 CV     1
 ASSI {  316}
   (( segid "    " and resid 103  and name HN  ))
   (( segid "    " and resid 103  and name HB2 ))
      6.000     4.500     0.000 peak   316 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.261 ppm2      2.650 CV     1
 ASSI {  317}
   (( segid "    " and resid 103  and name HN  ))
   (( segid "    " and resid 104  and name HG1 ))
      6.000     4.500     0.000 peak   317 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.255 ppm2      2.503 CV     1
 ASSI {  318}
   (( segid "    " and resid 103  and name HN  ))
   (( segid "    " and resid 104  and name HB2 ))
      6.000     4.500     0.000 peak   318 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.260 ppm2      2.156 CV     1
 ASSI {  320}
   (( segid "    " and resid 103  and name HN  ))
   (( segid "    " and resid 1    and name HG21))
      6.000     4.500     0.000 peak   320 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.258 ppm2      0.525 CV     1
 ASSI {  323}
   (( segid "    " and resid 103  and name HN  ))
   (( segid "    " and resid 104  and name HA  ))
      6.000     4.500     0.000 peak   323 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.253 ppm2      4.251 CV     1
 ASSI {  324}
   (( segid "    " and resid 103  and name HN  ))
   (( segid "    " and resid 100  and name HB1 ))
      6.000     4.500     0.000 peak   324 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.247 ppm2      1.782 CV     1
 ASSI {  325}
   (( segid "    " and resid 103  and name HN  ))
   (  segid "    " and resid 113  and name HG1%)
      6.000     4.500     0.000 peak   325 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.245 ppm2      0.869 CV     1
 ASSI {  361}
   (( segid "    " and resid 136  and name HN  ))
   (( segid "    " and resid 135  and name HB1 ))
      6.000     4.500     0.000 peak   361 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.418 ppm2      1.319 CV     1
 ASSI {  385}
   (( segid "    " and resid 107  and name HN  ))
   (( segid "    " and resid 113  and name HN  ))
      6.000     4.500     0.000 peak   385 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.195 ppm2      9.347 CV     1
 ASSI {  386}
   (( segid "    " and resid 107  and name HN  ))
   (( segid "    " and resid 108  and name HN  ))
      6.000     4.500     0.000 peak   386 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.193 ppm2      8.996 CV     1
 ASSI {  387}
   (( segid "    " and resid 107  and name HN  ))
   (( segid "    " and resid 107  and name HD21))
      6.000     4.500     0.000 peak   387 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.193 ppm2      7.793 CV     1
 ASSI {  388}
   (( segid "    " and resid 107  and name HN  ))
   (( segid "    " and resid 107  and name HA  ))
      6.000     4.500     0.000 peak   388 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.192 ppm2      5.501 CV     1
 ASSI {  393}
   (( segid "    " and resid 107  and name HN  ))
   (( segid "    " and resid 106  and name HA  ))
      6.000     4.500     0.000 peak   393 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.192 ppm2      4.299 CV     1
 ASSI {  394}
   (( segid "    " and resid 107  and name HN  ))
   (( segid "    " and resid 114  and name HD1 ))
      6.000     4.500     0.000 peak   394 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.189 ppm2      4.179 CV     1
 ASSI {  395}
   (( segid "    " and resid 107  and name HN  ))
   (( segid "    " and resid 107  and name HB2 ))
      6.000     4.500     0.000 peak   395 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.192 ppm2      2.689 CV     1
 OR {  395}
   (( segid "    " and resid 107  and name HN  ))
   (( segid "    " and resid 107  and name HB1 ))
 ASSI {  397}
   (( segid "    " and resid 107  and name HN  ))
   (  segid "    " and resid 108  and name HG2%)
      6.000     4.500     0.000 peak   397 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.192 ppm2      1.205 CV     1
 ASSI {  398}
   (( segid "    " and resid 107  and name HN  ))
   (( segid "    " and resid 106  and name HG12))
      6.000     4.500     0.000 peak   398 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.193 ppm2      1.053 CV     1
 OR {  398}
   (( segid "    " and resid 107  and name HN  ))
   (( segid "    " and resid 106  and name HG11))
 ASSI {  399}
   (( segid "    " and resid 107  and name HN  ))
   (  segid "    " and resid 106  and name HG2%)
      6.000     4.500     0.000 peak   399 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.192 ppm2      0.920 CV     1
 ASSI {  400}
   (( segid "    " and resid 107  and name HN  ))
   (  segid "    " and resid 106  and name HD1%)
      6.000     4.500     0.000 peak   400 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.192 ppm2      0.640 CV     1
 ASSI {  402}
   (( segid "    " and resid 107  and name HN  ))
   (( segid "    " and resid 106  and name HB  ))
      6.000     4.500     0.000 peak   402 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.189 ppm2      1.418 CV     1
 ASSI {  406}
   (( segid "    " and resid 143  and name HN  ))
   (( segid "    " and resid 142  and name HN  ))
      6.000     4.500     0.000 peak   406 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.426 ppm2      9.241 CV     1
 ASSI {  428}
   (( segid "    " and resid 107  and name HN  ))
   (( segid "    " and resid 113  and name HB  ))
      6.000     4.500     0.000 peak   428 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.196 ppm2      1.865 CV     1
 ASSI {  432}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 79   and name HA  ))
      6.000     4.500     0.000 peak   432 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.703 ppm2      4.175 CV     1
 ASSI {  433}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 83   and name HB  ))
      6.000     4.500     0.000 peak   433 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.705 ppm2      2.052 CV     1
 ASSI {  434}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 84   and name HB1 ))
      6.000     4.500     0.000 peak   434 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.704 ppm2      1.603 CV     1
 ASSI {  435}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 84   and name HB2 ))
      6.000     4.500     0.000 peak   435 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.702 ppm2      1.284 CV     1
 ASSI {  436}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 84   and name HG1 ))
      6.000     4.500     0.000 peak   436 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.705 ppm2      1.191 CV     1
 ASSI {  438}
   (( segid "    " and resid 84   and name HN  ))
   (  segid "    " and resid 83   and name HG2%)
      6.000     4.500     0.000 peak   438 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.702 ppm2      0.963 CV     1
 OR {  438}
   (( segid "    " and resid 84   and name HN  ))
   (  segid "    " and resid 83   and name HG1%)
 ASSI {  441}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 88   and name HN  ))
      6.000     4.500     0.000 peak   441 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.703 ppm2      8.383 CV     1
 ASSI {  447}
   (( segid "    " and resid 101  and name HN  ))
   (( segid "    " and resid 101  and name HA  ))
      6.000     4.500     0.000 peak   447 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.788 ppm2      4.520 CV     1
 ASSI {  451}
   (( segid "    " and resid 101  and name HN  ))
   (  segid "    " and resid 113  and name HG2%)
      6.000     4.500     0.000 peak   451 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.791 ppm2      1.150 CV     1
 ASSI {  452}
   (( segid "    " and resid 101  and name HN  ))
   (( segid "    " and resid 102  and name HN  ))
      6.000     4.500     0.000 peak   452 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.786 ppm2      8.405 CV     1
 ASSI {  453}
   (( segid "    " and resid 101  and name HN  ))
   (( segid "    " and resid 104  and name HN  ))
      6.000     4.500     0.000 peak   453 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.787 ppm2      8.349 CV     1
 ASSI {  454}
   (( segid "    " and resid 101  and name HN  ))
   (( segid "    " and resid 100  and name HN  ))
      6.000     4.500     0.000 peak   454 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.783 ppm2      7.525 CV     1
 ASSI {  456}
   (( segid "    " and resid 101  and name HN  ))
   (( segid "    " and resid 3    and name HA  ))
      6.000     4.500     0.000 peak   456 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.783 ppm2      4.956 CV     1
 ASSI {  457}
   (( segid "    " and resid 101  and name HN  ))
   (( segid "    " and resid 105  and name HA  ))
      6.000     4.500     0.000 peak   457 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.788 ppm2      4.681 CV     1
 ASSI {  458}
   (( segid "    " and resid 101  and name HN  ))
   (( segid "    " and resid 101  and name HB1 ))
      6.000     4.500     0.000 peak   458 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.787 ppm2      3.316 CV     1
 ASSI {  459}
   (( segid "    " and resid 101  and name HN  ))
   (( segid "    " and resid 101  and name HB2 ))
      6.000     4.500     0.000 peak   459 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.782 ppm2      2.323 CV     1
 ASSI {  460}
   (( segid "    " and resid 101  and name HN  ))
   (( segid "    " and resid 100  and name HB1 ))
      6.000     4.500     0.000 peak   460 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.787 ppm2      1.805 CV     1
 ASSI {  461}
   (( segid "    " and resid 101  and name HN  ))
   (( segid "    " and resid 100  and name HG  ))
      6.000     4.500     0.000 peak   461 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.784 ppm2      1.619 CV     1
 ASSI {  462}
   (( segid "    " and resid 101  and name HN  ))
   (  segid "    " and resid 106  and name HG2%)
      6.000     4.500     0.000 peak   462 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.784 ppm2      0.928 CV     1
 ASSI {  463}
   (( segid "    " and resid 101  and name HN  ))
   (  segid "    " and resid 113  and name HG1%)
      6.000     4.500     0.000 peak   463 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.784 ppm2      0.835 CV     1
 ASSI {  468}
   (( segid "    " and resid 95   and name HN  ))
   (( segid "    " and resid 7    and name HA  ))
      6.000     4.500     0.000 peak   468 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.234 ppm2      4.860 CV     1
 ASSI {  470}
   (( segid "    " and resid 95   and name HN  ))
   (( segid "    " and resid 95   and name HB1 ))
      6.000     4.500     0.000 peak   470 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.233 ppm2      2.518 CV     1
 ASSI {  475}
   (( segid "    " and resid 95   and name HN  ))
   (( segid "    " and resid 8    and name HN  ))
      6.000     4.500     0.000 peak   475 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.230 ppm2      8.769 CV     1
 ASSI {  476}
   (( segid "    " and resid 95   and name HN  ))
   (( segid "    " and resid 8    and name HA1 ))
      6.000     4.500     0.000 peak   476 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.231 ppm2      5.737 CV     1
 ASSI {  479}
   (( segid "    " and resid 95   and name HN  ))
   (( segid "    " and resid 96   and name HG  ))
      6.000     4.500     0.000 peak   479 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.233 ppm2      1.601 CV     1
 ASSI {  481}
   (( segid "    " and resid 95   and name HN  ))
   (  segid "    " and resid 96   and name HD2%)
      6.000     4.500     0.000 peak   481 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.233 ppm2      0.917 CV     1
 OR {  481}
   (( segid "    " and resid 95   and name HN  ))
   (  segid "    " and resid 96   and name HD1%)
 ASSI {  482}
   (( segid "    " and resid 95   and name HN  ))
   (( segid "    " and resid 94   and name HG  ))
      6.000     4.500     0.000 peak   482 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.229 ppm2      0.782 CV     1
 ASSI {  483}
   (( segid "    " and resid 95   and name HN  ))
   (( segid "    " and resid 94   and name HA  ))
      6.000     4.500     0.000 peak   483 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.227 ppm2      5.061 CV     1
 ASSI {  484}
   (( segid "    " and resid 95   and name HN  ))
   (( segid "    " and resid 8    and name HA2 ))
      6.000     4.500     0.000 peak   484 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.223 ppm2      3.722 CV     1
 ASSI {  485}
   (( segid "    " and resid 95   and name HN  ))
   (( segid "    " and resid 9    and name HB1 ))
      6.000     4.500     0.000 peak   485 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.220 ppm2      3.686 CV     1
 ASSI {  487}
   (( segid "    " and resid 95   and name HN  ))
   (( segid "    " and resid 94   and name HB2 ))
      6.000     4.500     0.000 peak   487 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.228 ppm2      1.416 CV     1
 ASSI {  489}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 6    and name HN  ))
      6.000     4.500     0.000 peak   489 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.535 ppm2      9.976 CV     1
 ASSI {  497}
   (( segid "    " and resid 97   and name HN  ))
   (( segid "    " and resid 96   and name HB1 ))
      6.000     4.500     0.000 peak   497 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.843 ppm2      2.056 CV     1
 ASSI {  499}
   (( segid "    " and resid 97   and name HN  ))
   (  segid "    " and resid 5    and name HG2%)
      6.000     4.500     0.000 peak   499 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.843 ppm2      0.844 CV     1
 ASSI {  500}
   (( segid "    " and resid 97   and name HN  ))
   (  segid "    " and resid 70   and name HD2%)
      6.000     4.500     0.000 peak   500 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.844 ppm2      0.684 CV     1
 ASSI {  505}
   (( segid "    " and resid 116  and name HN  ))
   (( segid "    " and resid 107  and name HD22))
      6.000     4.500     0.000 peak   505 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.345 ppm2      6.802 CV     1
 ASSI {  507}
   (( segid "    " and resid 116  and name HN  ))
   (( segid "    " and resid 115  and name HA  ))
      6.000     4.500     0.000 peak   507 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.345 ppm2      4.565 CV     1
 ASSI {  508}
   (( segid "    " and resid 116  and name HN  ))
   (( segid "    " and resid 116  and name HA  ))
      6.000     4.500     0.000 peak   508 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.350 ppm2      4.171 CV     1
 ASSI {  509}
   (( segid "    " and resid 116  and name HN  ))
   (( segid "    " and resid 116  and name HB1 ))
      6.000     4.500     0.000 peak   509 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.347 ppm2      3.045 CV     1
 ASSI {  510}
   (( segid "    " and resid 116  and name HN  ))
   (( segid "    " and resid 115  and name HN  ))
      6.000     4.500     0.000 peak   510 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.337 ppm2      8.693 CV     1
 ASSI {  511}
   (( segid "    " and resid 116  and name HN  ))
   (  segid "    " and resid 116  and name HD% )
      6.000     4.500     0.000 peak   511 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.339 ppm2      6.692 CV     1
 ASSI {  512}
   (( segid "    " and resid 116  and name HN  ))
   (( segid "    " and resid 116  and name HB2 ))
      6.000     4.500     0.000 peak   512 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.341 ppm2      2.940 CV     1
 ASSI {  513}
   (( segid "    " and resid 116  and name HN  ))
   (  segid "    " and resid 112  and name HG2%)
      6.000     4.500     0.000 peak   513 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.343 ppm2      1.436 CV     1
 ASSI {  514}
   (( segid "    " and resid 116  and name HN  ))
   (( segid "    " and resid 117  and name HB1 ))
      6.000     4.500     0.000 peak   514 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.339 ppm2      0.858 CV     1
 ASSI {  519}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 4    and name HA  ))
      6.000     4.500     0.000 peak   519 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.532 ppm2      5.606 CV     1
 ASSI {  521}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 59   and name HA  ))
      6.000     4.500     0.000 peak   521 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.534 ppm2      4.823 CV     1
 ASSI {  524}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 5    and name HG12))
      6.000     4.500     0.000 peak   524 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.529 ppm2      1.532 CV     1
 ASSI {  526}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 5    and name HG11))
      6.000     4.500     0.000 peak   526 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.529 ppm2      1.092 CV     1
 ASSI {  531}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 4    and name HB1 ))
      6.000     4.500     0.000 peak   531 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.528 ppm2      2.735 CV     1
 OR {  531}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 4    and name HB2 ))
 ASSI {  533}
   (( segid "    " and resid 5    and name HN  ))
   (  segid "    " and resid 59   and name HB% )
      6.000     4.500     0.000 peak   533 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.525 ppm2      1.231 CV     1
 ASSI {  534}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 128  and name HG  ))
      6.000     4.500     0.000 peak   534 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.522 ppm2      0.263 CV     1
 ASSI {  535}
   (( segid "    " and resid 97   and name HN  ))
   (( segid "    " and resid 6    and name HN  ))
      6.000     4.500     0.000 peak   535 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.845 ppm2      9.969 CV     1
 ASSI {  536}
   (( segid "    " and resid 97   and name HN  ))
   (( segid "    " and resid 96   and name HA  ))
      6.000     4.500     0.000 peak   536 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.842 ppm2      5.453 CV     1
 ASSI {  538}
   (( segid "    " and resid 97   and name HN  ))
   (( segid "    " and resid 97   and name HB2 ))
      6.000     4.500     0.000 peak   538 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.842 ppm2      2.341 CV     1
 ASSI {  542}
   (( segid "    " and resid 97   and name HN  ))
   (( segid "    " and resid 96   and name HB2 ))
      6.000     4.500     0.000 peak   542 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.842 ppm2      0.943 CV     1
 OR {  542}
   (( segid "    " and resid 97   and name HN  ))
   (  segid "    " and resid 96   and name HD1%)
 ASSI {  544}
   (( segid "    " and resid 97   and name HN  ))
   (  segid "    " and resid 70   and name HD1%)
      6.000     4.500     0.000 peak   544 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.846 ppm2      0.498 CV     1
 ASSI {  545}
   (( segid "    " and resid 97   and name HN  ))
   (( segid "    " and resid 97   and name HB1 ))
      6.000     4.500     0.000 peak   545 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.836 ppm2      2.525 CV     1
 ASSI {  549}
   (( segid "    " and resid 116  and name HN  ))
   (( segid "    " and resid 115  and name HB1 ))
      6.000     4.500     0.000 peak   549 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.329 ppm2      3.674 CV     1
 ASSI {  555}
   (( segid "    " and resid 112  and name HN  ))
   (( segid "    " and resid 116  and name HN  ))
      6.000     4.500     0.000 peak   555 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.699 ppm2      8.362 CV     1
 ASSI {  559}
   (( segid "    " and resid 112  and name HN  ))
   (( segid "    " and resid 112  and name HB  ))
      6.000     4.500     0.000 peak   559 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.701 ppm2      4.346 CV     1
 ASSI {  561}
   (( segid "    " and resid 112  and name HN  ))
   (( segid "    " and resid 109  and name HA  ))
      6.000     4.500     0.000 peak   561 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.704 ppm2      4.033 CV     1
 ASSI {  562}
   (( segid "    " and resid 112  and name HN  ))
   (( segid "    " and resid 111  and name HA  ))
      6.000     4.500     0.000 peak   562 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.699 ppm2      3.895 CV     1
 ASSI {  563}
   (( segid "    " and resid 112  and name HN  ))
   (  segid "    " and resid 112  and name HG2%)
      6.000     4.500     0.000 peak   563 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.700 ppm2      1.436 CV     1
 ASSI {  564}
   (( segid "    " and resid 112  and name HN  ))
   (( segid "    " and resid 111  and name HB1 ))
      6.000     4.500     0.000 peak   564 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.704 ppm2      1.308 CV     1
 ASSI {  566}
   (( segid "    " and resid 112  and name HN  ))
   (( segid "    " and resid 111  and name HG  ))
      6.000     4.500     0.000 peak   566 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.701 ppm2      1.024 CV     1
 ASSI {  567}
   (( segid "    " and resid 112  and name HN  ))
   (( segid "    " and resid 111  and name HB2 ))
      6.000     4.500     0.000 peak   567 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.700 ppm2      0.888 CV     1
 ASSI {  569}
   (( segid "    " and resid 112  and name HN  ))
   (  segid "    " and resid 111  and name HD2%)
      6.000     4.500     0.000 peak   569 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.700 ppm2      0.345 CV     1
 ASSI {  573}
   (( segid "    " and resid 137  and name HN  ))
   (( segid "    " and resid 136  and name HN  ))
      6.000     4.500     0.000 peak   573 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.222 ppm2      8.396 CV     1
 ASSI {  574}
   (( segid "    " and resid 137  and name HN  ))
   (( segid "    " and resid 141  and name HN  ))
      6.000     4.500     0.000 peak   574 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.225 ppm2      7.995 CV     1
 ASSI {  575}
   (( segid "    " and resid 137  and name HN  ))
   (( segid "    " and resid 139  and name HN  ))
      6.000     4.500     0.000 peak   575 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.219 ppm2      7.470 CV     1
 ASSI {  579}
   (( segid "    " and resid 137  and name HN  ))
   (( segid "    " and resid 142  and name HA  ))
      6.000     4.500     0.000 peak   579 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.224 ppm2      4.800 CV     1
 ASSI {  580}
   (( segid "    " and resid 137  and name HN  ))
   (( segid "    " and resid 136  and name HA  ))
      6.000     4.500     0.000 peak   580 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.223 ppm2      4.506 CV     1
 ASSI {  582}
   (( segid "    " and resid 137  and name HN  ))
   (( segid "    " and resid 138  and name HD2 ))
      6.000     4.500     0.000 peak   582 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.223 ppm2      4.026 CV     1
 OR {  582}
   (( segid "    " and resid 137  and name HN  ))
   (( segid "    " and resid 138  and name HD1 ))
 ASSI {  585}
   (( segid "    " and resid 137  and name HN  ))
   (( segid "    " and resid 140  and name HA1 ))
      6.000     4.500     0.000 peak   585 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.216 ppm2      3.521 CV     1
 ASSI {  586}
   (( segid "    " and resid 137  and name HN  ))
   (( segid "    " and resid 137  and name HB2 ))
      6.000     4.500     0.000 peak   586 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.222 ppm2      3.354 CV     1
 ASSI {  587}
   (( segid "    " and resid 137  and name HN  ))
   (( segid "    " and resid 137  and name HB1 ))
      6.000     4.500     0.000 peak   587 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.222 ppm2      3.242 CV     1
 ASSI {  588}
   (( segid "    " and resid 137  and name HN  ))
   (( segid "    " and resid 142  and name HG2 ))
      6.000     4.500     0.000 peak   588 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.226 ppm2      2.654 CV     1
 ASSI {  590}
   (( segid "    " and resid 137  and name HN  ))
   (( segid "    " and resid 136  and name HB  ))
      6.000     4.500     0.000 peak   590 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.222 ppm2      1.955 CV     1
 ASSI {  591}
   (( segid "    " and resid 137  and name HN  ))
   (( segid "    " and resid 135  and name HG  ))
      6.000     4.500     0.000 peak   591 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.220 ppm2      1.211 CV     1
 ASSI {  592}
   (( segid "    " and resid 137  and name HN  ))
   (  segid "    " and resid 136  and name HG2%)
      6.000     4.500     0.000 peak   592 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.224 ppm2      1.025 CV     1
 OR {  592}
   (( segid "    " and resid 137  and name HN  ))
   (  segid "    " and resid 136  and name HG1%)
 ASSI {  593}
   (( segid "    " and resid 137  and name HN  ))
   (  segid "    " and resid 146  and name HD1%)
      6.000     4.500     0.000 peak   593 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.221 ppm2      0.479 CV     1
 ASSI {  603}
   (( segid "    " and resid 137  and name HN  ))
   (( segid "    " and resid 142  and name HG1 ))
      6.000     4.500     0.000 peak   603 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.224 ppm2      2.785 CV     1
 ASSI {  615}
   (( segid "    " and resid 115  and name HN  ))
   (( segid "    " and resid 114  and name HA  ))
      6.000     4.500     0.000 peak   615 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.682 ppm2      5.426 CV     1
 ASSI {  616}
   (( segid "    " and resid 115  and name HN  ))
   (( segid "    " and resid 115  and name HA  ))
      6.000     4.500     0.000 peak   616 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.683 ppm2      4.557 CV     1
 ASSI {  617}
   (( segid "    " and resid 115  and name HN  ))
   (( segid "    " and resid 113  and name HA  ))
      6.000     4.500     0.000 peak   617 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.683 ppm2      4.319 CV     1
 ASSI {  619}
   (( segid "    " and resid 115  and name HN  ))
   (( segid "    " and resid 115  and name HB2 ))
      6.000     4.500     0.000 peak   619 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.684 ppm2      3.000 CV     1
 ASSI {  621}
   (( segid "    " and resid 115  and name HN  ))
   (( segid "    " and resid 114  and name HG1 ))
      6.000     4.500     0.000 peak   621 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.686 ppm2      2.455 CV     1
 ASSI {  622}
   (( segid "    " and resid 115  and name HN  ))
   (( segid "    " and resid 114  and name HB1 ))
      6.000     4.500     0.000 peak   622 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.684 ppm2      2.099 CV     1
 ASSI {  625}
   (( segid "    " and resid 115  and name HN  ))
   (  segid "    " and resid 112  and name HG2%)
      6.000     4.500     0.000 peak   625 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.685 ppm2      1.411 CV     1
 ASSI {  627}
   (( segid "    " and resid 115  and name HN  ))
   (  segid "    " and resid 113  and name HG1%)
      6.000     4.500     0.000 peak   627 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.684 ppm2      0.858 CV     1
 ASSI {  630}
   (( segid "    " and resid 115  and name HN  ))
   (( segid "    " and resid 116  and name HA  ))
      6.000     4.500     0.000 peak   630 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.676 ppm2      4.194 CV     1
 ASSI {  631}
   (( segid "    " and resid 115  and name HN  ))
   (( segid "    " and resid 114  and name HB2 ))
      6.000     4.500     0.000 peak   631 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.679 ppm2      2.839 CV     1
 ASSI {  632}
   (( segid "    " and resid 115  and name HN  ))
   (  segid "    " and resid 113  and name HG2%)
      6.000     4.500     0.000 peak   632 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.678 ppm2      1.128 CV     1
 ASSI {  633}
   (( segid "    " and resid 85   and name HN  ))
   (( segid "    " and resid 84   and name HN  ))
      6.000     4.500     0.000 peak   633 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.346 ppm2      8.701 CV     1
 ASSI {  639}
   (( segid "    " and resid 85   and name HN  ))
   (( segid "    " and resid 84   and name HA  ))
      6.000     4.500     0.000 peak   639 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.339 ppm2      4.331 CV     1
 ASSI {  640}
   (( segid "    " and resid 85   and name HN  ))
   (( segid "    " and resid 85   and name HB1 ))
      6.000     4.500     0.000 peak   640 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.338 ppm2      1.651 CV     1
 ASSI {  641}
   (( segid "    " and resid 85   and name HN  ))
   (( segid "    " and resid 85   and name HB2 ))
      6.000     4.500     0.000 peak   641 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.328 ppm2      1.801 CV     1
 ASSI {  642}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 37   and name HN  ))
      6.000     4.500     0.000 peak   642 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.299 ppm2      9.193 CV     1
 ASSI {  647}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 35   and name HN  ))
      6.000     4.500     0.000 peak   647 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.295 ppm2      7.353 CV     1
 ASSI {  648}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 58   and name HA  ))
      6.000     4.500     0.000 peak   648 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.297 ppm2      4.947 CV     1
 ASSI {  649}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 35   and name HA  ))
      6.000     4.500     0.000 peak   649 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.296 ppm2      4.600 CV     1
 ASSI {  652}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 35   and name HB  ))
      6.000     4.500     0.000 peak   652 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.298 ppm2      4.106 CV     1
 ASSI {  655}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 36   and name HB  ))
      6.000     4.500     0.000 peak   655 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.295 ppm2      1.949 CV     1
 ASSI {  657}
   (( segid "    " and resid 36   and name HN  ))
   (  segid "    " and resid 36   and name HG2%)
      6.000     4.500     0.000 peak   657 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.298 ppm2      1.318 CV     1
 ASSI {  658}
   (( segid "    " and resid 36   and name HN  ))
   (  segid "    " and resid 35   and name HG2%)
      6.000     4.500     0.000 peak   658 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.296 ppm2      1.246 CV     1
 ASSI {  659}
   (( segid "    " and resid 36   and name HN  ))
   (  segid "    " and resid 36   and name HG1%)
      6.000     4.500     0.000 peak   659 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.296 ppm2      1.096 CV     1
 ASSI {  666}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 94   and name HA  ))
      6.000     4.500     0.000 peak   666 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.286 ppm2      5.055 CV     1
 ASSI {  669}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 26   and name HN  ))
      6.000     4.500     0.000 peak   669 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.130 ppm2      7.589 CV     1
 ASSI {  673}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 29   and name HD1 ))
      6.000     4.500     0.000 peak   673 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.126 ppm2      2.736 CV     1
 ASSI {  674}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 60   and name HG  ))
      6.000     4.500     0.000 peak   674 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.126 ppm2      1.269 CV     1
 ASSI {  682}
   (( segid "    " and resid 153  and name HN  ))
   (( segid "    " and resid 154  and name HN  ))
      6.000     4.500     0.000 peak   682 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.805 ppm2      8.389 CV     1
 ASSI {  683}
   (( segid "    " and resid 153  and name HN  ))
   (( segid "    " and resid 151  and name HN  ))
      6.000     4.500     0.000 peak   683 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.804 ppm2      7.529 CV     1
 ASSI {  684}
   (( segid "    " and resid 153  and name HN  ))
   (( segid "    " and resid 152  and name HN  ))
      6.000     4.500     0.000 peak   684 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.805 ppm2      7.241 CV     1
 ASSI {  686}
   (( segid "    " and resid 153  and name HN  ))
   (( segid "    " and resid 148  and name HD2 ))
      6.000     4.500     0.000 peak   686 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.804 ppm2      6.966 CV     1
 ASSI {  688}
   (( segid "    " and resid 153  and name HN  ))
   (( segid "    " and resid 152  and name HA  ))
      6.000     4.500     0.000 peak   688 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.804 ppm2      4.624 CV     1
 ASSI {  690}
   (( segid "    " and resid 153  and name HN  ))
   (( segid "    " and resid 152  and name HB2 ))
      6.000     4.500     0.000 peak   690 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.803 ppm2      3.400 CV     1
 ASSI {  691}
   (( segid "    " and resid 153  and name HN  ))
   (( segid "    " and resid 154  and name HA  ))
      6.000     4.500     0.000 peak   691 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.807 ppm2      2.992 CV     1
 ASSI {  692}
   (( segid "    " and resid 153  and name HN  ))
   (( segid "    " and resid 153  and name HB2 ))
      6.000     4.500     0.000 peak   692 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.804 ppm2      2.737 CV     1
 ASSI {  693}
   (( segid "    " and resid 153  and name HN  ))
   (( segid "    " and resid 153  and name HB1 ))
      6.000     4.500     0.000 peak   693 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.804 ppm2      2.600 CV     1
 ASSI {  694}
   (( segid "    " and resid 153  and name HN  ))
   (( segid "    " and resid 154  and name HB2 ))
      6.000     4.500     0.000 peak   694 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.804 ppm2      1.361 CV     1
 OR {  694}
   (( segid "    " and resid 153  and name HN  ))
   (( segid "    " and resid 154  and name HB1 ))
 OR {  694}
   (( segid "    " and resid 153  and name HN  ))
   (( segid "    " and resid 154  and name HD2 ))
 ASSI {  696}
   (( segid "    " and resid 153  and name HN  ))
   (( segid "    " and resid 155  and name HG  ))
      6.000     4.500     0.000 peak   696 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.799 ppm2      0.890 CV     1
 ASSI {  700}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 9    and name HN  ))
      6.000     4.500     0.000 peak   700 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.287 ppm2      8.545 CV     1
 ASSI {  703}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 9    and name HB1 ))
      6.000     4.500     0.000 peak   703 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.274 ppm2      3.667 CV     1
 ASSI {  708}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 27   and name HN  ))
      6.000     4.500     0.000 peak   708 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.128 ppm2      7.314 CV     1
 ASSI {  710}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 27   and name HA  ))
      6.000     4.500     0.000 peak   710 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.129 ppm2      4.915 CV     1
 ASSI {  713}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 28   and name HA  ))
      6.000     4.500     0.000 peak   713 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.127 ppm2      3.751 CV     1
 ASSI {  714}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 29   and name HD2 ))
      6.000     4.500     0.000 peak   714 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.128 ppm2      3.643 CV     1
 ASSI {  716}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 27   and name HB1 ))
      6.000     4.500     0.000 peak   716 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.127 ppm2      2.918 CV     1
 ASSI {  717}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 27   and name HB2 ))
      6.000     4.500     0.000 peak   717 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.126 ppm2      2.598 CV     1
 ASSI {  719}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 28   and name HG11))
      6.000     4.500     0.000 peak   719 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.127 ppm2      2.076 CV     1
 OR {  719}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 28   and name HG12))
 ASSI {  720}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 28   and name HB  ))
      6.000     4.500     0.000 peak   720 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.127 ppm2      1.537 CV     1
 ASSI {  722}
   (( segid "    " and resid 28   and name HN  ))
   (  segid "    " and resid 28   and name HD1%)
      6.000     4.500     0.000 peak   722 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.128 ppm2      0.781 CV     1
 ASSI {  723}
   (( segid "    " and resid 28   and name HN  ))
   (  segid "    " and resid 28   and name HG2%)
      6.000     4.500     0.000 peak   723 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.128 ppm2      0.605 CV     1
 ASSI {  730}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 32   and name HB2 ))
      6.000     4.500     0.000 peak   730 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.177 ppm2      3.333 CV     1
 ASSI {  732}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 60   and name HB2 ))
      6.000     4.500     0.000 peak   732 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.178 ppm2      1.007 CV     1
 ASSI {  733}
   (( segid "    " and resid 33   and name HN  ))
   (  segid "    " and resid 60   and name HD2%)
      6.000     4.500     0.000 peak   733 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.177 ppm2      0.653 CV     1
 ASSI {  736}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 32   and name HA  ))
      6.000     4.500     0.000 peak   736 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.174 ppm2      4.910 CV     1
 ASSI {  737}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 32   and name HB1 ))
      6.000     4.500     0.000 peak   737 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.175 ppm2      3.131 CV     1
 ASSI {  738}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 33   and name HB  ))
      6.000     4.500     0.000 peak   738 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.175 ppm2      1.766 CV     1
 ASSI {  739}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 33   and name HG12))
      6.000     4.500     0.000 peak   739 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.175 ppm2      1.573 CV     1
 OR {  739}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 33   and name HG11))
 ASSI {  752}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 54   and name HB1 ))
      6.000     4.500     0.000 peak   752 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.688 ppm2      0.631 CV     1
 ASSI {  762}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 17   and name HE21))
      6.000     4.500     0.000 peak   762 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.193 ppm2      6.837 CV     1
 ASSI {  765}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 17   and name HB1 ))
      6.000     4.500     0.000 peak   765 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.194 ppm2      1.989 CV     1
 ASSI {  766}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 23   and name HD1 ))
      6.000     4.500     0.000 peak   766 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.196 ppm2      1.664 CV     1
 OR {  766}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 23   and name HD2 ))
 ASSI {  771}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 94   and name HG  ))
      6.000     4.500     0.000 peak   771 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.194 ppm2      0.766 CV     1
 ASSI {  773}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 155  and name HN  ))
      6.000     4.500     0.000 peak   773 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.947 ppm2      7.431 CV     1
 ASSI {  777}
   (( segid "    " and resid 41   and name HN  ))
   (  segid "    " and resid 40   and name HD% )
      6.000     4.500     0.000 peak   777 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.937 ppm2      7.143 CV     1
 ASSI {  779}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 41   and name HA  ))
      6.000     4.500     0.000 peak   779 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.937 ppm2      5.758 CV     1
 ASSI {  781}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 40   and name HA  ))
      6.000     4.500     0.000 peak   781 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.935 ppm2      5.159 CV     1
 ASSI {  782}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 156  and name HA  ))
      6.000     4.500     0.000 peak   782 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.940 ppm2      4.830 CV     1
 ASSI {  783}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 157  and name HA  ))
      6.000     4.500     0.000 peak   783 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.935 ppm2      4.472 CV     1
 ASSI {  786}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 41   and name HB1 ))
      6.000     4.500     0.000 peak   786 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.933 ppm2      1.683 CV     1
 OR {  786}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 41   and name HB2 ))
 ASSI {  788}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 41   and name HG1 ))
      6.000     4.500     0.000 peak   788 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.935 ppm2      1.146 CV     1
 ASSI {  790}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 158  and name HA  ))
      6.000     4.500     0.000 peak   790 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.924 ppm2      3.880 CV     1
 ASSI {  791}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 157  and name HB2 ))
      6.000     4.500     0.000 peak   791 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.927 ppm2      1.975 CV     1
 ASSI {  794}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 20   and name HN  ))
      6.000     4.500     0.000 peak   794 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.598 ppm2      8.191 CV     1
 ASSI {  795}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 23   and name HN  ))
      6.000     4.500     0.000 peak   795 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.598 ppm2      7.745 CV     1
 ASSI {  796}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 17   and name HE21))
      6.000     6.000     0.000 peak   796 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.593 ppm2      6.836 CV     1
 ASSI {  799}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 18   and name HA  ))
      6.000     4.500     0.000 peak   799 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.598 ppm2      3.333 CV     1
 ASSI {  800}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 19   and name HB1 ))
      6.000     4.500     0.000 peak   800 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.599 ppm2      2.869 CV     1
 ASSI {  801}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 80   and name HB1 ))
      6.000     4.500     0.000 peak   801 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.598 ppm2      2.294 CV     1
 OR {  801}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 80   and name HB2 ))
 ASSI {  802}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 23   and name HB2 ))
      6.000     4.500     0.000 peak   802 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.593 ppm2      1.930 CV     1
 OR {  802}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 23   and name HB1 ))
 ASSI {  803}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 23   and name HD1 ))
      6.000     4.500     0.000 peak   803 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.596 ppm2      1.667 CV     1
 OR {  803}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 23   and name HD2 ))
 ASSI {  804}
   (( segid "    " and resid 21   and name HN  ))
   (  segid "    " and resid 21   and name HB% )
      6.000     4.500     0.000 peak   804 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.597 ppm2      1.469 CV     1
 ASSI {  806}
   (( segid "    " and resid 117  and name HN  ))
   (( segid "    " and resid 115  and name HA  ))
      6.000     4.500     0.000 peak   806 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.311 ppm2      4.559 CV     1
 ASSI {  808}
   (( segid "    " and resid 117  and name HN  ))
   (( segid "    " and resid 117  and name HB2 ))
      6.000     4.500     0.000 peak   808 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.312 ppm2      1.593 CV     1
 ASSI {  809}
   (( segid "    " and resid 117  and name HN  ))
   (( segid "    " and resid 117  and name HB1 ))
      6.000     4.500     0.000 peak   809 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.308 ppm2      0.859 CV     1
 ASSI {  810}
   (( segid "    " and resid 117  and name HN  ))
   (( segid "    " and resid 118  and name HB2 ))
      6.000     4.500     0.000 peak   810 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.302 ppm2      1.970 CV     1
 ASSI {  813}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 19   and name HN  ))
      6.000     4.500     0.000 peak   813 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.196 ppm2      8.438 CV     1
 ASSI {  814}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 19   and name HD21))
      6.000     4.500     0.000 peak   814 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.195 ppm2      7.387 CV     1
 ASSI {  815}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 20   and name HA  ))
      6.000     4.500     0.000 peak   815 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.196 ppm2      4.190 CV     1
 ASSI {  817}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 18   and name HA  ))
      6.000     4.500     0.000 peak   817 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.198 ppm2      3.329 CV     1
 ASSI {  818}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 19   and name HB1 ))
      6.000     4.500     0.000 peak   818 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.195 ppm2      2.886 CV     1
 ASSI {  819}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 19   and name HB2 ))
      6.000     4.500     0.000 peak   819 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.195 ppm2      2.679 CV     1
 ASSI {  823}
   (( segid "    " and resid 20   and name HN  ))
   (  segid "    " and resid 20   and name HB% )
      6.000     4.500     0.000 peak   823 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.195 ppm2      1.530 CV     1
 ASSI {  824}
   (( segid "    " and resid 20   and name HN  ))
   (  segid "    " and resid 18   and name HG1%)
      6.000     4.500     0.000 peak   824 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.198 ppm2      0.311 CV     1
 ASSI {  830}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 76   and name HN  ))
      6.000     4.500     0.000 peak   830 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.597 ppm2      8.084 CV     1
 ASSI {  836}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 65   and name HN  ))
      6.000     4.500     0.000 peak   836 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.543 ppm2      8.386 CV     1
 ASSI {  837}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 63   and name HN  ))
      6.000     4.500     0.000 peak   837 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.546 ppm2      8.233 CV     1
 ASSI {  838}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 31   and name HN  ))
      6.000     4.500     0.000 peak   838 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.545 ppm2      7.292 CV     1
 ASSI {  840}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 62   and name HA  ))
      6.000     4.500     0.000 peak   840 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.545 ppm2      5.503 CV     1
 ASSI {  841}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 63   and name HA  ))
      6.000     4.500     0.000 peak   841 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.546 ppm2      4.974 CV     1
 ASSI {  844}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 64   and name HA  ))
      6.000     4.500     0.000 peak   844 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.548 ppm2      4.221 CV     1
 ASSI {  845}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 63   and name HB1 ))
      6.000     4.500     0.000 peak   845 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.548 ppm2      4.062 CV     1
 OR {  845}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 63   and name HB2 ))
 ASSI {  846}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 62   and name HB  ))
      6.000     4.500     0.000 peak   846 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.546 ppm2      3.808 CV     1
 ASSI {  847}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 29   and name HD2 ))
      6.000     4.500     0.000 peak   847 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.544 ppm2      3.641 CV     1
 ASSI {  848}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 31   and name HB2 ))
      6.000     4.500     0.000 peak   848 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.545 ppm2      3.598 CV     1
 OR {  848}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 31   and name HB1 ))
 ASSI {  852}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 64   and name HB1 ))
      6.000     4.500     0.000 peak   852 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.546 ppm2      1.740 CV     1
 ASSI {  853}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 64   and name HB2 ))
      6.000     4.500     0.000 peak   853 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.546 ppm2      1.484 CV     1
 ASSI {  854}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 69   and name HB2 ))
      6.000     4.500     0.000 peak   854 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.546 ppm2      1.274 CV     1
 ASSI {  855}
   (( segid "    " and resid 64   and name HN  ))
   (  segid "    " and resid 62   and name HG2%)
      6.000     4.500     0.000 peak   855 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.547 ppm2      1.087 CV     1
 ASSI {  856}
   (( segid "    " and resid 64   and name HN  ))
   (  segid "    " and resid 69   and name HD1%)
      6.000     4.500     0.000 peak   856 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.545 ppm2      0.944 CV     1
 OR {  856}
   (( segid "    " and resid 64   and name HN  ))
   (  segid "    " and resid 69   and name HD2%)
 ASSI {  857}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 64   and name HG  ))
      6.000     4.500     0.000 peak   857 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.545 ppm2      0.737 CV     1
 OR {  857}
   (( segid "    " and resid 64   and name HN  ))
   (  segid "    " and resid 64   and name HD2%)
 OR {  857}
   (( segid "    " and resid 64   and name HN  ))
   (  segid "    " and resid 64   and name HD1%)
 ASSI {  861}
   (( segid "    " and resid 117  and name HN  ))
   (( segid "    " and resid 118  and name HA  ))
      6.000     4.500     0.000 peak   861 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.319 ppm2      3.832 CV     1
 ASSI {  864}
   (( segid "    " and resid 117  and name HN  ))
   (( segid "    " and resid 118  and name HN  ))
      6.000     4.500     0.000 peak   864 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.308 ppm2      7.544 CV     1
 ASSI {  867}
   (( segid "    " and resid 117  and name HN  ))
   (( segid "    " and resid 120  and name HD22))
      6.000     4.500     0.000 peak   867 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.310 ppm2      6.904 CV     1
 ASSI {  871}
   (( segid "    " and resid 117  and name HN  ))
   (( segid "    " and resid 117  and name HA  ))
      6.000     4.500     0.000 peak   871 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.309 ppm2      5.030 CV     1
 ASSI {  872}
   (( segid "    " and resid 117  and name HN  ))
   (( segid "    " and resid 118  and name HG1 ))
      6.000     4.500     0.000 peak   872 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.309 ppm2      3.281 CV     1
 ASSI {  873}
   (( segid "    " and resid 117  and name HN  ))
   (( segid "    " and resid 120  and name HB2 ))
      6.000     4.500     0.000 peak   873 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.309 ppm2      3.026 CV     1
 ASSI {  874}
   (( segid "    " and resid 117  and name HN  ))
   (( segid "    " and resid 115  and name HB2 ))
      6.000     4.500     0.000 peak   874 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.311 ppm2      2.967 CV     1
 ASSI {  875}
   (( segid "    " and resid 117  and name HN  ))
   (( segid "    " and resid 118  and name HG2 ))
      6.000     4.500     0.000 peak   875 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.311 ppm2      2.145 CV     1
 ASSI {  878}
   (( segid "    " and resid 117  and name HN  ))
   (( segid "    " and resid 116  and name HA  ))
      6.000     4.500     0.000 peak   878 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.301 ppm2      4.172 CV     1
 ASSI {  881}
   (( segid "    " and resid 142  and name HN  ))
   (( segid "    " and resid 141  and name HN  ))
      6.000     4.500     0.000 peak   881 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.269 ppm2      7.979 CV     1
 ASSI {  882}
   (( segid "    " and resid 142  and name HN  ))
   (( 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      9.268 ppm2      6.732 CV     1
 ASSI {  883}
   (( segid "    " and resid 142  and name HN  ))
   (( segid "    " and resid 142  and name HA  ))
      6.000     4.500     0.000 peak   883 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.270 ppm2      4.810 CV     1
 ASSI {  885}
   (( segid "    " and resid 142  and name HN  ))
   (( segid "    " and resid 141  and name HA  ))
      6.000     4.500     0.000 peak   885 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.269 ppm2      4.284 CV     1
 ASSI {  886}
   (( segid "    " and resid 142  and name HN  ))
   (( segid "    " and resid 143  and name HA  ))
      6.000     4.500     0.000 peak   886 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.269 ppm2      4.062 CV     1
 ASSI {  887}
   (( segid "    " and resid 142  and name HN  ))
   (( segid "    " and resid 142  and name HG1 ))
      6.000     4.500     0.000 peak   887 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.269 ppm2      2.810 CV     1
 ASSI {  890}
   (( segid "    " and resid 142  and name HN  ))
   (( segid "    " and resid 141  and name HB2 ))
      6.000     4.500     0.000 peak   890 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.269 ppm2      1.867 CV     1
 ASSI {  891}
   (( segid "    " and resid 142  and name HN  ))
   (( segid "    " and resid 141  and name HB1 ))
      6.000     4.500     0.000 peak   891 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.268 ppm2      1.761 CV     1
 ASSI {  893}
   (( segid "    " and resid 142  and name HN  ))
   (  segid "    " and resid 136  and name HG2%)
      6.000     4.500     0.000 peak   893 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.269 ppm2      1.023 CV     1
 ASSI {  894}
   (( segid "    " and resid 142  and name HN  ))
   (  segid "    " and resid 146  and name HD1%)
      6.000     4.500     0.000 peak   894 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.269 ppm2      0.474 CV     1
 ASSI {  897}
   (( segid "    " and resid 142  and name HN  ))
   (( segid "    " and resid 146  and name HN  ))
      6.000     4.500     0.000 peak   897 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.264 ppm2      7.869 CV     1
 ASSI {  899}
   (( segid "    " and resid 142  and name HN  ))
   (( segid "    " and resid 133  and name HA  ))
      6.000     4.500     0.000 peak   899 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.262 ppm2      4.147 CV     1
 ASSI {  900}
   (( segid "    " and resid 142  and name HN  ))
   (( segid "    " and resid 142  and name HG2 ))
      6.000     4.500     0.000 peak   900 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.265 ppm2      2.659 CV     1
 ASSI {  901}
   (( segid "    " and resid 142  and name HN  ))
   (( segid "    " and resid 145  and name HG1 ))
      6.000     4.500     0.000 peak   901 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.266 ppm2      2.491 CV     1
 OR {  901}
   (( segid "    " and resid 142  and name HN  ))
   (( segid "    " and resid 145  and name HG2 ))
 ASSI {  903}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 39   and name HN  ))
      6.000     4.500     0.000 peak   903 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.196 ppm2      8.750 CV     1
 ASSI {  904}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 62   and name HN  ))
      6.000     4.500     0.000 peak   904 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.553 ppm2      9.210 CV     1
 ASSI {  905}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 11   and name HA  ))
      6.000     4.500     0.000 peak   905 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.263 ppm2      4.242 CV     1
 ASSI {  908}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 11   and name HB1 ))
      6.000     4.500     0.000 peak   908 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.260 ppm2      1.273 CV     1
 OR {  908}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 11   and name HB2 ))
 ASSI {  910}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 11   and name HG  ))
      6.000     4.500     0.000 peak   910 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.259 ppm2      0.881 CV     1
 ASSI {  914}
   (( segid "    " and resid 40   and name HN  ))
   (  segid "    " and resid 40   and name HD% )
      6.000     4.500     0.000 peak   914 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.404 ppm2      7.102 CV     1
 ASSI {  915}
   (( segid "    " and resid 40   and name HN  ))
   (  segid "    " and resid 39   and name HD% )
      6.000     4.500     0.000 peak   915 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.396 ppm2      6.987 CV     1
 ASSI {  916}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 39   and name HB2 ))
      6.000     4.500     0.000 peak   916 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.389 ppm2      3.311 CV     1
 ASSI {  917}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 57   and name HN  ))
      6.000     4.500     0.000 peak   917 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.209 ppm2      9.471 CV     1
 ASSI {  918}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 59   and name HN  ))
      6.000     4.500     0.000 peak   918 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.207 ppm2      8.600 CV     1
 ASSI {  922}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 37   and name HA  ))
      6.000     4.500     0.000 peak   922 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.211 ppm2      5.057 CV     1
 ASSI {  924}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 36   and name HA  ))
      6.000     4.500     0.000 peak   924 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.209 ppm2      4.799 CV     1
 ASSI {  925}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 131  and name HA  ))
      6.000     4.500     0.000 peak   925 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.210 ppm2      4.475 CV     1
 ASSI {  926}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 38   and name HA  ))
      6.000     4.500     0.000 peak   926 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.211 ppm2      4.252 CV     1
 ASSI {  927}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 37   and name HB2 ))
      6.000     4.500     0.000 peak   927 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.206 ppm2      4.048 CV     1
 OR {  927}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 37   and name HB1 ))
 ASSI {  928}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 38   and name HB2 ))
      6.000     4.500     0.000 peak   928 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.209 ppm2      3.756 CV     1
 ASSI {  929}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 127  and name HB1 ))
      6.000     4.500     0.000 peak   929 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.211 ppm2      2.596 CV     1
 ASSI {  933}
   (( segid "    " and resid 37   and name HN  ))
   (  segid "    " and resid 36   and name HG1%)
      6.000     4.500     0.000 peak   933 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.206 ppm2      1.101 CV     1
 ASSI {  934}
   (( segid "    " and resid 37   and name HN  ))
   (  segid "    " and resid 58   and name HG1%)
      6.000     4.500     0.000 peak   934 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.208 ppm2      0.964 CV     1
 OR {  934}
   (( segid "    " and resid 37   and name HN  ))
   (  segid "    " and resid 58   and name HG2%)
 ASSI {  938}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 130  and name HG1 ))
      6.000     6.000     0.000 peak   938 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.197 ppm2      2.542 CV     1
 ASSI {  946}
   (( segid "    " and resid 42   and name HN  ))
   (  segid "    " and resid 42   and name HG2%)
      6.000     4.500     0.000 peak   946 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.599 ppm2      1.227 CV     1
 ASSI {  947}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 41   and name HB1 ))
      6.000     4.500     0.000 peak   947 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.590 ppm2      1.690 CV     1
 OR {  947}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 41   and name HB2 ))
 ASSI {  950}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 39   and name HA  ))
      6.000     4.500     0.000 peak   950 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.490 ppm2      5.395 CV     1
 ASSI {  951}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 56   and name HA  ))
      6.000     4.500     0.000 peak   951 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.490 ppm2      4.950 CV     1
 ASSI {  952}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 36   and name HA  ))
      6.000     4.500     0.000 peak   952 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.491 ppm2      4.811 CV     1
 ASSI {  953}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 127  and name HA  ))
      6.000     4.500     0.000 peak   953 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.491 ppm2      4.447 CV     1
 ASSI {  958}
   (( segid "    " and resid 57   and name HN  ))
   (  segid "    " and resid 39   and name HD% )
      6.000     4.500     0.000 peak   958 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.485 ppm2      6.974 CV     1
 ASSI {  961}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 57   and name HA  ))
      6.000     4.500     0.000 peak   961 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.483 ppm2      5.673 CV     1
 ASSI {  962}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 38   and name HA  ))
      6.000     4.500     0.000 peak   962 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.483 ppm2      4.259 CV     1
 ASSI {  963}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 37   and name HB2 ))
      6.000     4.500     0.000 peak   963 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.482 ppm2      4.066 CV     1
 OR {  963}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 37   and name HB1 ))
 ASSI {  964}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 128  and name HA  ))
      6.000     4.500     0.000 peak   964 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.484 ppm2      3.831 CV     1
 ASSI {  965}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 127  and name HB1 ))
      6.000     4.500     0.000 peak   965 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.484 ppm2      2.626 CV     1
 ASSI {  966}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 127  and name HB2 ))
      6.000     4.500     0.000 peak   966 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.484 ppm2      1.952 CV     1
 ASSI {  967}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 131  and name HG11))
      6.000     4.500     0.000 peak   967 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.478 ppm2      1.602 CV     1
 ASSI {  968}
   (( segid "    " and resid 57   and name HN  ))
   (  segid "    " and resid 56   and name HB% )
      6.000     4.500     0.000 peak   968 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.485 ppm2      1.456 CV     1
 ASSI {  969}
   (( segid "    " and resid 57   and name HN  ))
   (  segid "    " and resid 57   and name HB% )
      6.000     4.500     0.000 peak   969 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.486 ppm2      1.340 CV     1
 ASSI {  971}
   (( segid "    " and resid 57   and name HN  ))
   (  segid "    " and resid 58   and name HG1%)
      6.000     4.500     0.000 peak   971 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.486 ppm2      0.988 CV     1
 OR {  971}
   (( segid "    " and resid 57   and name HN  ))
   (  segid "    " and resid 58   and name HG2%)
 ASSI {  984}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 157  and name HA  ))
      6.000     4.500     0.000 peak   984 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.402 ppm2      4.455 CV     1
 ASSI {  987}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 55   and name HN  ))
      6.000     4.500     0.000 peak   987 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.394 ppm2      9.155 CV     1
 ASSI {  989}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 39   and name HA  ))
      6.000     4.500     0.000 peak   989 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.390 ppm2      5.373 CV     1
 ASSI {  990}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 158  and name HB2 ))
      6.000     4.500     0.000 peak   990 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.393 ppm2      3.110 CV     1
 ASSI {  992}
   (( segid "    " and resid 40   and name HN  ))
   (  segid "    " and resid 56   and name HB% )
      6.000     4.500     0.000 peak   992 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.393 ppm2      1.465 CV     1
 ASSI {  996}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 56   and name HA  ))
      6.000     4.500     0.000 peak   996 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.378 ppm2      4.925 CV     1
 ASSI { 1000}
   (( segid "    " and resid 55   and name HN  ))
   (  segid "    " and resid 56   and name HB% )
      6.000     4.500     0.000 peak  1000 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.145 ppm2      1.460 CV     1
 ASSI { 1005}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 54   and name HN  ))
      6.000     4.500     0.000 peak  1005 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.152 ppm2      8.699 CV     1
 ASSI { 1008}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 54   and name HA  ))
      6.000     4.500     0.000 peak  1008 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.152 ppm2      5.362 CV     1
 ASSI { 1009}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 40   and name HA  ))
      6.000     4.500     0.000 peak  1009 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.152 ppm2      5.169 CV     1
 ASSI { 1011}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 39   and name HB2 ))
      6.000     4.500     0.000 peak  1011 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.156 ppm2      3.305 CV     1
 ASSI { 1012}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 55   and name HB1 ))
      6.000     4.500     0.000 peak  1012 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.154 ppm2      3.146 CV     1
 ASSI { 1013}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 55   and name HB2 ))
      6.000     4.500     0.000 peak  1013 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.152 ppm2      2.403 CV     1
 ASSI { 1014}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 54   and name HG  ))
      6.000     4.500     0.000 peak  1014 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.151 ppm2      1.128 CV     1
 ASSI { 1015}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 54   and name HB2 ))
      6.000     4.500     0.000 peak  1015 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.152 ppm2      0.943 CV     1
 ASSI { 1016}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 54   and name HB1 ))
      6.000     4.500     0.000 peak  1016 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.155 ppm2      0.630 CV     1
 ASSI { 1017}
   (( segid "    " and resid 55   and name HN  ))
   (  segid "    " and resid 54   and name HD2%)
      6.000     4.500     0.000 peak  1017 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.155 ppm2      0.176 CV     1
 ASSI { 1020}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 55   and name HA  ))
      6.000     4.500     0.000 peak  1020 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.146 ppm2      6.130 CV     1
 ASSI { 1021}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 41   and name HA  ))
      6.000     4.500     0.000 peak  1021 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.144 ppm2      5.771 CV     1
 ASSI { 1023}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 41   and name HB2 ))
      6.000     4.500     0.000 peak  1023 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.143 ppm2      1.666 CV     1
 OR { 1023}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 41   and name HB1 ))
 ASSI { 1024}
   (( segid "    " and resid 55   and name HN  ))
   (  segid "    " and resid 54   and name HD1%)
      6.000     4.500     0.000 peak  1024 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.150 ppm2     -0.519 CV     1
 ASSI { 1032}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 63   and name HN  ))
      6.000     4.500     0.000 peak  1032 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.375 ppm2      8.231 CV     1
 ASSI { 1033}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 68   and name HN  ))
      6.000     4.500     0.000 peak  1033 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.375 ppm2      6.868 CV     1
 ASSI { 1034}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 64   and name HA  ))
      6.000     4.500     0.000 peak  1034 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.376 ppm2      4.224 CV     1
 ASSI { 1036}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 66   and name HD2 ))
      6.000     4.500     0.000 peak  1036 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.375 ppm2      3.627 CV     1
 ASSI { 1037}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 66   and name HD1 ))
      6.000     4.500     0.000 peak  1037 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.376 ppm2      3.398 CV     1
 ASSI { 1038}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 68   and name HG1 ))
      6.000     4.500     0.000 peak  1038 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.376 ppm2      2.393 CV     1
 OR { 1038}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 68   and name HG2 ))
 ASSI { 1039}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 68   and name HB2 ))
      6.000     4.500     0.000 peak  1039 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.375 ppm2      2.264 CV     1
 ASSI { 1042}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 64   and name HB1 ))
      6.000     4.500     0.000 peak  1042 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.376 ppm2      1.749 CV     1
 ASSI { 1043}
   (( segid "    " and resid 65   and name HN  ))
   (  segid "    " and resid 65   and name HB% )
      6.000     4.500     0.000 peak  1043 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.376 ppm2      1.443 CV     1
 ASSI { 1055}
   (( segid "    " and resid 146  and name HN  ))
   (( segid "    " and resid 147  and name HN  ))
      6.000     4.500     0.000 peak  1055 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.882 ppm2      7.430 CV     1
 ASSI { 1056}
   (( segid "    " and resid 146  and name HN  ))
   (( segid "    " and resid 145  and name HN  ))
      6.000     4.500     0.000 peak  1056 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.880 ppm2      6.740 CV     1
 ASSI { 1057}
   (( segid "    " and resid 146  and name HN  ))
   (( segid "    " and resid 142  and name HA  ))
      6.000     4.500     0.000 peak  1057 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.884 ppm2      4.818 CV     1
 ASSI { 1059}
   (( segid "    " and resid 146  and name HN  ))
   (( segid "    " and resid 146  and name HA  ))
      6.000     4.500     0.000 peak  1059 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.882 ppm2      3.647 CV     1
 ASSI { 1060}
   (( segid "    " and resid 146  and name HN  ))
   (( segid "    " and resid 148  and name HB1 ))
      6.000     4.500     0.000 peak  1060 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.878 ppm2      3.204 CV     1
 ASSI { 1061}
   (( segid "    " and resid 146  and name HN  ))
   (( segid "    " and resid 145  and name HG2 ))
      6.000     4.500     0.000 peak  1061 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.882 ppm2      2.477 CV     1
 OR { 1061}
   (( segid "    " and resid 146  and name HN  ))
   (( segid "    " and resid 145  and name HG1 ))
 ASSI { 1063}
   (( segid "    " and resid 146  and name HN  ))
   (( segid "    " and resid 141  and name HG2 ))
      6.000     4.500     0.000 peak  1063 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.880 ppm2      2.077 CV     1
 ASSI { 1064}
   (( segid "    " and resid 146  and name HN  ))
   (( segid "    " and resid 146  and name HB  ))
      6.000     4.500     0.000 peak  1064 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.881 ppm2      1.799 CV     1
 ASSI { 1065}
   (( segid "    " and resid 146  and name HN  ))
   (( segid "    " and resid 146  and name HG11))
      6.000     4.500     0.000 peak  1065 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.880 ppm2      1.593 CV     1
 ASSI { 1067}
   (( segid "    " and resid 146  and name HN  ))
   (( segid "    " and resid 147  and name HB2 ))
      6.000     4.500     0.000 peak  1067 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.880 ppm2      1.112 CV     1
 ASSI { 1068}
   (( segid "    " and resid 146  and name HN  ))
   (( segid "    " and resid 146  and name HG12))
      6.000     4.500     0.000 peak  1068 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.879 ppm2      0.967 CV     1
 ASSI { 1069}
   (( segid "    " and resid 146  and name HN  ))
   (  segid "    " and resid 146  and name HG2%)
      6.000     4.500     0.000 peak  1069 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.879 ppm2      0.748 CV     1
 ASSI { 1070}
   (( segid "    " and resid 146  and name HN  ))
   (  segid "    " and resid 146  and name HD1%)
      6.000     4.500     0.000 peak  1070 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.880 ppm2      0.481 CV     1
 ASSI { 1074}
   (( segid "    " and resid 155  and name HN  ))
   (( segid "    " and resid 156  and name HB2 ))
      6.000     4.500     0.000 peak  1074 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.441 ppm2      2.744 CV     1
 ASSI { 1076}
   (( segid "    " and resid 135  and name HN  ))
   (( segid "    " and resid 133  and name HD2 ))
      6.000     4.500     0.000 peak  1076 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.251 ppm2      3.435 CV     1
 ASSI { 1080}
   (( segid "    " and resid 135  and name HN  ))
   (( segid "    " and resid 142  and name HA  ))
      6.000     4.500     0.000 peak  1080 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.245 ppm2      4.819 CV     1
 ASSI { 1082}
   (( segid "    " and resid 135  and name HN  ))
   (( segid "    " and resid 134  and name HA  ))
      6.000     4.500     0.000 peak  1082 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.246 ppm2      4.547 CV     1
 ASSI { 1084}
   (( segid "    " and resid 135  and name HN  ))
   (( segid "    " and resid 133  and name HA  ))
      6.000     4.500     0.000 peak  1084 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.243 ppm2      4.123 CV     1
 ASSI { 1085}
   (( segid "    " and resid 135  and name HN  ))
   (( segid "    " and resid 135  and name HA  ))
      6.000     4.500     0.000 peak  1085 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.245 ppm2      3.840 CV     1
 ASSI { 1087}
   (( segid "    " and resid 135  and name HN  ))
   (( segid "    " and resid 134  and name HB2 ))
      6.000     4.500     0.000 peak  1087 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.245 ppm2      2.308 CV     1
 OR { 1087}
   (( segid "    " and resid 135  and name HN  ))
   (( segid "    " and resid 134  and name HG2 ))
 ASSI { 1088}
   (( segid "    " and resid 135  and name HN  ))
   (( segid "    " and resid 136  and name HB  ))
      6.000     4.500     0.000 peak  1088 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.246 ppm2      1.960 CV     1
 ASSI { 1091}
   (( segid "    " and resid 135  and name HN  ))
   (( segid "    " and resid 133  and name HB2 ))
      6.000     4.500     0.000 peak  1091 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.245 ppm2      1.484 CV     1
 ASSI { 1092}
   (( segid "    " and resid 135  and name HN  ))
   (( segid "    " and resid 135  and name HB1 ))
      6.000     4.500     0.000 peak  1092 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.246 ppm2      1.308 CV     1
 ASSI { 1093}
   (( segid "    " and resid 135  and name HN  ))
   (  segid "    " and resid 132  and name HB% )
      6.000     4.500     0.000 peak  1093 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.245 ppm2      0.990 CV     1
 ASSI { 1094}
   (( segid "    " and resid 135  and name HN  ))
   (  segid "    " and resid 135  and name HD2%)
      6.000     4.500     0.000 peak  1094 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.244 ppm2      0.385 CV     1
 ASSI { 1095}
   (( segid "    " and resid 135  and name HN  ))
   (( segid "    " and resid 128  and name HG  ))
      6.000     4.500     0.000 peak  1095 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.245 ppm2      0.258 CV     1
 ASSI { 1096}
   (( segid "    " and resid 135  and name HN  ))
   (  segid "    " and resid 135  and name HD1%)
      6.000     4.500     0.000 peak  1096 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.245 ppm2      0.087 CV     1
 ASSI { 1105}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 69   and name HN  ))
      6.000     4.500     0.000 peak  1105 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.381 ppm2      8.142 CV     1
 ASSI { 1109}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 62   and name HN  ))
      6.000     4.500     0.000 peak  1109 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.256 ppm2      9.205 CV     1
 ASSI { 1110}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 32   and name HN  ))
      6.000     4.500     0.000 peak  1110 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.252 ppm2      8.975 CV     1
 ASSI { 1111}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 62   and name HA  ))
      6.000     4.500     0.000 peak  1111 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.252 ppm2      5.504 CV     1
 ASSI { 1112}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 62   and name HB  ))
      6.000     4.500     0.000 peak  1112 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.257 ppm2      3.824 CV     1
 ASSI { 1116}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 30   and name HB2 ))
      6.000     4.500     0.000 peak  1116 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.254 ppm2      1.988 CV     1
 ASSI { 1117}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 64   and name HB1 ))
      6.000     4.500     0.000 peak  1117 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.255 ppm2      1.766 CV     1
 ASSI { 1119}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 69   and name HB2 ))
      6.000     4.500     0.000 peak  1119 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.255 ppm2      1.294 CV     1
 ASSI { 1123}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 31   and name HA  ))
      6.000     4.500     0.000 peak  1123 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.249 ppm2      5.904 CV     1
 ASSI { 1124}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 63   and name HA  ))
      6.000     4.500     0.000 peak  1124 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.250 ppm2      4.974 CV     1
 ASSI { 1128}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 64   and name HA  ))
      6.000     4.500     0.000 peak  1128 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.250 ppm2      4.221 CV     1
 ASSI { 1129}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 63   and name HB2 ))
      6.000     4.500     0.000 peak  1129 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.250 ppm2      4.051 CV     1
 OR { 1129}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 63   and name HB1 ))
 ASSI { 1130}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 64   and name HB2 ))
      6.000     4.500     0.000 peak  1130 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.248 ppm2      1.490 CV     1
 ASSI { 1131}
   (( segid "    " and resid 63   and name HN  ))
   (  segid "    " and resid 62   and name HG2%)
      6.000     4.500     0.000 peak  1131 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.248 ppm2      1.094 CV     1
 ASSI { 1133}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 64   and name HG  ))
      6.000     4.500     0.000 peak  1133 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.249 ppm2      0.730 CV     1
 OR { 1133}
   (( segid "    " and resid 63   and name HN  ))
   (  segid "    " and resid 64   and name HD2%)
 OR { 1133}
   (( segid "    " and resid 63   and name HN  ))
   (  segid "    " and resid 64   and name HD1%)
 ASSI { 1136}
   (( segid "    " and resid 146  and name HN  ))
   (( segid "    " and resid 118  and name HB2 ))
      6.000     4.500     0.000 peak  1136 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.888 ppm2      1.931 CV     1
 ASSI { 1137}
   (( segid "    " and resid 146  and name HN  ))
   (( segid "    " and resid 148  and name HN  ))
      6.000     4.500     0.000 peak  1137 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.875 ppm2      7.553 CV     1
 ASSI { 1138}
   (( segid "    " and resid 146  and name HN  ))
   (( segid "    " and resid 145  and name HA  ))
      6.000     4.500     0.000 peak  1138 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.880 ppm2      4.247 CV     1
 ASSI { 1143}
   (( segid "    " and resid 155  and name HN  ))
   (( segid "    " and resid 156  and name HN  ))
      6.000     4.500     0.000 peak  1143 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.452 ppm2      9.069 CV     1
 ASSI { 1146}
   (( segid "    " and resid 155  and name HN  ))
   (( segid "    " and resid 155  and name HA  ))
      6.000     4.500     0.000 peak  1146 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.451 ppm2      4.530 CV     1
 ASSI { 1147}
   (( segid "    " and resid 155  and name HN  ))
   (( segid "    " and resid 126  and name HB1 ))
      6.000     4.500     0.000 peak  1147 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.452 ppm2      2.976 CV     1
 ASSI { 1149}
   (( segid "    " and resid 155  and name HN  ))
   (( segid "    " and resid 144  and name HG1 ))
      6.000     4.500     0.000 peak  1149 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.451 ppm2      1.619 CV     1
 OR { 1149}
   (( segid "    " and resid 155  and name HN  ))
   (( segid "    " and resid 144  and name HG2 ))
 ASSI { 1150}
   (( segid "    " and resid 155  and name HN  ))
   (( segid "    " and resid 155  and name HB2 ))
      6.000     4.500     0.000 peak  1150 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.456 ppm2      1.502 CV     1
 ASSI { 1151}
   (( segid "    " and resid 155  and name HN  ))
   (( segid "    " and resid 154  and name HD2 ))
      6.000     4.500     0.000 peak  1151 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.454 ppm2      1.376 CV     1
 OR { 1151}
   (( segid "    " and resid 155  and name HN  ))
   (( segid "    " and resid 154  and name HD1 ))
 OR { 1151}
   (( segid "    " and resid 155  and name HN  ))
   (( segid "    " and resid 154  and name HB1 ))
 OR { 1151}
   (( segid "    " and resid 155  and name HN  ))
   (( segid "    " and resid 154  and name HB2 ))
 ASSI { 1152}
   (( segid "    " and resid 155  and name HN  ))
   (( segid "    " and resid 154  and name HG1 ))
      6.000     4.500     0.000 peak  1152 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.452 ppm2      1.040 CV     1
 ASSI { 1153}
   (( segid "    " and resid 155  and name HN  ))
   (( segid "    " and resid 155  and name HG  ))
      6.000     4.500     0.000 peak  1153 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.449 ppm2      0.910 CV     1
 ASSI { 1157}
   (( segid "    " and resid 135  and name HN  ))
   (( segid "    " and resid 134  and name HN  ))
      6.000     4.500     0.000 peak  1157 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.244 ppm2      8.285 CV     1
 ASSI { 1159}
   (( segid "    " and resid 135  and name HN  ))
   (( segid "    " and resid 134  and name HG1 ))
      6.000     4.500     0.000 peak  1159 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.243 ppm2      2.136 CV     1
 ASSI { 1165}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 8    and name HA2 ))
      6.000     4.500     0.000 peak  1165 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.207 ppm2      3.766 CV     1
 ASSI { 1166}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 55   and name HB1 ))
      6.000     4.500     0.000 peak  1166 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.206 ppm2      3.153 CV     1
 ASSI { 1167}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 127  and name HB1 ))
      6.000     4.500     0.000 peak  1167 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.203 ppm2      2.637 CV     1
 ASSI { 1168}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 55   and name HB2 ))
      6.000     4.500     0.000 peak  1168 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.205 ppm2      2.395 CV     1
 ASSI { 1173}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 7    and name HN  ))
      6.000     4.500     0.000 peak  1173 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.200 ppm2      8.807 CV     1
 ASSI { 1175}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 55   and name HA  ))
      6.000     4.500     0.000 peak  1175 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.202 ppm2      6.129 CV     1
 ASSI { 1177}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 8    and name HA1 ))
      6.000     4.500     0.000 peak  1177 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.199 ppm2      5.713 CV     1
 ASSI { 1178}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 6    and name HA  ))
      6.000     4.500     0.000 peak  1178 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.194 ppm2      5.069 CV     1
 ASSI { 1179}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 56   and name HA  ))
      6.000     4.500     0.000 peak  1179 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.198 ppm2      4.932 CV     1
 ASSI { 1181}
   (( segid "    " and resid 56   and name HN  ))
   (  segid "    " and resid 56   and name HB% )
      6.000     4.500     0.000 peak  1181 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.199 ppm2      1.458 CV     1
 ASSI { 1188}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 57   and name HA  ))
      6.000     4.500     0.000 peak  1188 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.829 ppm2      5.656 CV     1
 ASSI { 1189}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 96   and name HA  ))
      6.000     4.500     0.000 peak  1189 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.836 ppm2      5.476 CV     1
 ASSI { 1190}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 6    and name HA  ))
      6.000     4.500     0.000 peak  1190 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.828 ppm2      5.057 CV     1
 ASSI { 1192}
   (( segid "    " and resid 7    and name HN  ))
   (  segid "    " and resid 6    and name HB% )
      6.000     4.500     0.000 peak  1192 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.826 ppm2      1.763 CV     1
 ASSI { 1194}
   (( segid "    " and resid 7    and name HN  ))
   (  segid "    " and resid 57   and name HB% )
      6.000     4.500     0.000 peak  1194 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.831 ppm2      1.364 CV     1
 ASSI { 1196}
   (( segid "    " and resid 7    and name HN  ))
   (  segid "    " and resid 58   and name HG2%)
      6.000     4.500     0.000 peak  1196 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.835 ppm2      0.951 CV     1
 OR { 1196}
   (( segid "    " and resid 7    and name HN  ))
   (  segid "    " and resid 58   and name HG1%)
 ASSI { 1198}
   (( segid "    " and resid 7    and name HN  ))
   (  segid "    " and resid 7    and name HD1%)
      6.000     4.500     0.000 peak  1198 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.828 ppm2      0.672 CV     1
 ASSI { 1203}
   (( segid "    " and resid 154  and name HN  ))
   (( segid "    " and resid 155  and name HN  ))
      6.000     4.500     0.000 peak  1203 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.390 ppm2      7.433 CV     1
 ASSI { 1204}
   (( segid "    " and resid 154  and name HN  ))
   (( segid "    " and resid 153  and name HA  ))
      6.000     4.500     0.000 peak  1204 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.391 ppm2      4.578 CV     1
 ASSI { 1205}
   (( segid "    " and resid 154  and name HN  ))
   (( segid "    " and resid 126  and name HB1 ))
      6.000     4.500     0.000 peak  1205 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.389 ppm2      2.972 CV     1
 ASSI { 1206}
   (( segid "    " and resid 154  and name HN  ))
   (( segid "    " and resid 153  and name HB2 ))
      6.000     4.500     0.000 peak  1206 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.389 ppm2      2.747 CV     1
 ASSI { 1207}
   (( segid "    " and resid 154  and name HN  ))
   (( segid "    " and resid 153  and name HB1 ))
      6.000     4.500     0.000 peak  1207 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.391 ppm2      2.602 CV     1
 ASSI { 1208}
   (( segid "    " and resid 154  and name HN  ))
   (( segid "    " and resid 154  and name HB2 ))
      6.000     4.500     0.000 peak  1208 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.390 ppm2      1.370 CV     1
 OR { 1208}
   (( segid "    " and resid 154  and name HN  ))
   (( segid "    " and resid 154  and name HB1 ))
 OR { 1208}
   (( segid "    " and resid 154  and name HN  ))
   (( segid "    " and resid 154  and name HD2 ))
 ASSI { 1209}
   (( segid "    " and resid 154  and name HN  ))
   (( segid "    " and resid 154  and name HG1 ))
      6.000     4.500     0.000 peak  1209 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.389 ppm2      1.031 CV     1
 ASSI { 1212}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 45   and name HB2 ))
      6.000     4.500     0.000 peak  1212 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.169 ppm2      1.613 CV     1
 OR { 1212}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 45   and name HB1 ))
 ASSI { 1215}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 57   and name HN  ))
      6.000     4.500     0.000 peak  1215 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.196 ppm2      9.455 CV     1
 ASSI { 1217}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 24   and name HN  ))
      6.000     4.500     0.000 peak  1217 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.013 ppm2      7.893 CV     1
 ASSI { 1218}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 23   and name HN  ))
      6.000     4.500     0.000 peak  1218 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.016 ppm2      7.744 CV     1
 ASSI { 1219}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 26   and name HN  ))
      6.000     4.500     0.000 peak  1219 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.014 ppm2      7.578 CV     1
 ASSI { 1221}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 25   and name HB1 ))
      6.000     4.500     0.000 peak  1221 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.014 ppm2      2.127 CV     1
 ASSI { 1223}
   (( segid "    " and resid 25   and name HN  ))
   (  segid "    " and resid 24   and name HB% )
      6.000     4.500     0.000 peak  1223 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.011 ppm2      1.517 CV     1
 ASSI { 1224}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 25   and name HB2 ))
      6.000     4.500     0.000 peak  1224 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.012 ppm2      1.247 CV     1
 ASSI { 1225}
   (( segid "    " and resid 25   and name HN  ))
   (  segid "    " and resid 25   and name HD1%)
      6.000     4.500     0.000 peak  1225 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.011 ppm2      0.833 CV     1
 OR { 1225}
   (( segid "    " and resid 25   and name HN  ))
   (  segid "    " and resid 25   and name HD2%)
 ASSI { 1226}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 24   and name HA  ))
      6.000     4.500     0.000 peak  1226 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.004 ppm2      4.183 CV     1
 ASSI { 1233}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 73   and name HN  ))
      6.000     4.500     0.000 peak  1233 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.881 ppm2      9.288 CV     1
 ASSI { 1236}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 75   and name HN  ))
      6.000     4.500     0.000 peak  1236 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.879 ppm2      7.660 CV     1
 ASSI { 1239}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 70   and name HA  ))
      6.000     4.500     0.000 peak  1239 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.884 ppm2      4.555 CV     1
 ASSI { 1240}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 74   and name HA  ))
      6.000     4.500     0.000 peak  1240 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.882 ppm2      4.195 CV     1
 ASSI { 1241}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 73   and name HB  ))
      6.000     4.500     0.000 peak  1241 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.884 ppm2      3.922 CV     1
 ASSI { 1243}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 74   and name HG2 ))
      6.000     4.500     0.000 peak  1243 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.879 ppm2      2.923 CV     1
 ASSI { 1245}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 74   and name HG1 ))
      6.000     4.500     0.000 peak  1245 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.879 ppm2      2.404 CV     1
 ASSI { 1246}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 74   and name HB2 ))
      6.000     4.500     0.000 peak  1246 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.878 ppm2      2.214 CV     1
 OR { 1246}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 74   and name HB1 ))
 ASSI { 1250}
   (( segid "    " and resid 74   and name HN  ))
   (  segid "    " and resid 73   and name HG2%)
      6.000     4.500     0.000 peak  1250 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.878 ppm2      1.042 CV     1
 ASSI { 1257}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 6    and name HN  ))
      6.000     4.500     0.000 peak  1257 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.816 ppm2      9.953 CV     1
 ASSI { 1260}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 38   and name HN  ))
      6.000     4.500     0.000 peak  1260 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.738 ppm2      9.431 CV     1
 ASSI { 1265}
   (( segid "    " and resid 39   and name HN  ))
   (  segid "    " and resid 39   and name HD% )
      6.000     4.500     0.000 peak  1265 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.738 ppm2      6.975 CV     1
 ASSI { 1266}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 39   and name HA  ))
      6.000     4.500     0.000 peak  1266 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.738 ppm2      5.384 CV     1
 ASSI { 1267}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 37   and name HA  ))
      6.000     4.500     0.000 peak  1267 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.741 ppm2      5.078 CV     1
 ASSI { 1269}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 38   and name HA  ))
      6.000     4.500     0.000 peak  1269 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.737 ppm2      4.283 CV     1
 ASSI { 1270}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 38   and name HB2 ))
      6.000     4.500     0.000 peak  1270 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.738 ppm2      3.750 CV     1
 ASSI { 1271}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 38   and name HB1 ))
      6.000     4.500     0.000 peak  1271 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.737 ppm2      3.602 CV     1
 ASSI { 1272}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 39   and name HB2 ))
      6.000     4.500     0.000 peak  1272 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.735 ppm2      3.320 CV     1
 ASSI { 1273}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 158  and name HB2 ))
      6.000     4.500     0.000 peak  1273 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.738 ppm2      3.126 CV     1
 ASSI { 1274}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 39   and name HB1 ))
      6.000     4.500     0.000 peak  1274 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.736 ppm2      2.813 CV     1
 ASSI { 1276}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 157  and name HG1 ))
      6.000     4.500     0.000 peak  1276 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.744 ppm2      1.562 CV     1
 ASSI { 1281}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 157  and name HB2 ))
      6.000     4.500     0.000 peak  1281 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.714 ppm2      1.972 CV     1
 ASSI { 1296}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 72   and name HA  ))
      6.000     4.500     0.000 peak  1296 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.082 ppm2      4.383 CV     1
 ASSI { 1297}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 75   and name HD1 ))
      6.000     4.500     0.000 peak  1297 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.074 ppm2      3.173 CV     1
 ASSI { 1302}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 21   and name HA  ))
      6.000     4.500     0.000 peak  1302 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.645 ppm2      3.955 CV     1
 ASSI { 1304}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 72   and name HB2 ))
      6.000     4.500     0.000 peak  1304 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.643 ppm2      3.420 CV     1
 ASSI { 1311}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 76   and name HN  ))
      6.000     4.500     0.000 peak  1311 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.879 ppm2      8.079 CV     1
 ASSI { 1316}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 18   and name HN  ))
      6.000     4.500     0.000 peak  1316 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.194 ppm2      8.531 CV     1
 ASSI { 1317}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 16   and name HA  ))
      6.000     4.500     0.000 peak  1317 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.195 ppm2      4.083 CV     1
 ASSI { 1324}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 77   and name HN  ))
      6.000     4.500     0.000 peak  1324 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.075 ppm2      8.294 CV     1
 ASSI { 1325}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 75   and name HA  ))
      6.000     4.500     0.000 peak  1325 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.073 ppm2      4.133 CV     1
 ASSI { 1326}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 73   and name HB  ))
      6.000     4.500     0.000 peak  1326 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.070 ppm2      3.906 CV     1
 ASSI { 1327}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 76   and name HA  ))
      6.000     4.500     0.000 peak  1327 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.076 ppm2      3.760 CV     1
 ASSI { 1329}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 75   and name HB1 ))
      6.000     4.500     0.000 peak  1329 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.074 ppm2      2.274 CV     1
 ASSI { 1330}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 76   and name HG12))
      6.000     4.500     0.000 peak  1330 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.076 ppm2      2.093 CV     1
 OR { 1330}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 76   and name HG11))
 ASSI { 1334}
   (( segid "    " and resid 76   and name HN  ))
   (  segid "    " and resid 76   and name HG2%)
      6.000     4.500     0.000 peak  1334 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.076 ppm2      0.846 CV     1
 ASSI { 1337}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 75   and name HG1 ))
      6.000     4.500     0.000 peak  1337 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.067 ppm2      1.666 CV     1
 ASSI { 1340}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 73   and name HN  ))
      6.000     4.500     0.000 peak  1340 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.647 ppm2      9.273 CV     1
 ASSI { 1341}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 77   and name HN  ))
      6.000     4.500     0.000 peak  1341 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.643 ppm2      8.308 CV     1
 ASSI { 1342}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 76   and name HN  ))
      6.000     4.500     0.000 peak  1342 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.640 ppm2      8.069 CV     1
 ASSI { 1344}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 72   and name HA  ))
      6.000     4.500     0.000 peak  1344 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.641 ppm2      4.387 CV     1
 ASSI { 1345}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 75   and name HA  ))
      6.000     4.500     0.000 peak  1345 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.644 ppm2      4.137 CV     1
 ASSI { 1346}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 75   and name HD2 ))
      6.000     4.500     0.000 peak  1346 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.645 ppm2      3.317 CV     1
 ASSI { 1347}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 75   and name HD1 ))
      6.000     4.500     0.000 peak  1347 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.645 ppm2      3.151 CV     1
 ASSI { 1348}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 74   and name HG1 ))
      6.000     4.500     0.000 peak  1348 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.643 ppm2      2.415 CV     1
 ASSI { 1349}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 75   and name HB1 ))
      6.000     4.500     0.000 peak  1349 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.643 ppm2      2.273 CV     1
 ASSI { 1352}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 75   and name HG1 ))
      6.000     4.500     0.000 peak  1352 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.644 ppm2      1.664 CV     1
 ASSI { 1356}
   (( segid "    " and resid 75   and name HN  ))
   (  segid "    " and resid 78   and name HD2%)
      6.000     4.500     0.000 peak  1356 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.646 ppm2      0.781 CV     1
 OR { 1356}
   (( segid "    " and resid 75   and name HN  ))
   (  segid "    " and resid 78   and name HD1%)
 ASSI { 1359}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 61   and name HN  ))
      6.000     4.500     0.000 peak  1359 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.208 ppm2      8.780 CV     1
 ASSI { 1362}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 2    and name HA  ))
      6.000     4.500     0.000 peak  1362 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.211 ppm2      4.226 CV     1
 ASSI { 1374}
   (( segid "    " and resid 141  and name HN  ))
   (( segid "    " and resid 139  and name HB1 ))
      6.000     4.500     0.000 peak  1374 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.994 ppm2      3.043 CV     1
 ASSI { 1378}
   (( segid "    " and resid 141  and name HN  ))
   (  segid "    " and resid 136  and name HG2%)
      6.000     4.500     0.000 peak  1378 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.993 ppm2      1.022 CV     1
 OR { 1378}
   (( segid "    " and resid 141  and name HN  ))
   (  segid "    " and resid 136  and name HG1%)
 ASSI { 1382}
   (( segid "    " and resid 141  and name HN  ))
   (( segid "    " and resid 140  and name HN  ))
      6.000     4.500     0.000 peak  1382 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.991 ppm2      8.363 CV     1
 ASSI { 1383}
   (( segid "    " and resid 141  and name HN  ))
   (( segid "    " and resid 146  and name HN  ))
      6.000     4.500     0.000 peak  1383 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.991 ppm2      7.847 CV     1
 ASSI { 1384}
   (( segid "    " and resid 141  and name HN  ))
   (( segid "    " and resid 139  and name HN  ))
      6.000     4.500     0.000 peak  1384 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.990 ppm2      7.487 CV     1
 ASSI { 1387}
   (( segid "    " and resid 141  and name HN  ))
   (( segid "    " and resid 141  and name HA  ))
      6.000     4.500     0.000 peak  1387 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.990 ppm2      4.289 CV     1
 ASSI { 1388}
   (( segid "    " and resid 141  and name HN  ))
   (( segid "    " and resid 140  and name HA1 ))
      6.000     4.500     0.000 peak  1388 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.990 ppm2      3.514 CV     1
 ASSI { 1389}
   (( segid "    " and resid 141  and name HN  ))
   (( segid "    " and resid 137  and name HB2 ))
      6.000     4.500     0.000 peak  1389 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.989 ppm2      3.364 CV     1
 ASSI { 1390}
   (( segid "    " and resid 141  and name HN  ))
   (( segid "    " and resid 142  and name HG1 ))
      6.000     4.500     0.000 peak  1390 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.985 ppm2      2.822 CV     1
 ASSI { 1391}
   (( segid "    " and resid 141  and name HN  ))
   (( segid "    " and resid 139  and name HB2 ))
      6.000     4.500     0.000 peak  1391 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.988 ppm2      2.605 CV     1
 ASSI { 1392}
   (( segid "    " and resid 141  and name HN  ))
   (( segid "    " and resid 141  and name HG1 ))
      6.000     4.500     0.000 peak  1392 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.990 ppm2      2.285 CV     1
 ASSI { 1393}
   (( segid "    " and resid 141  and name HN  ))
   (( segid "    " and resid 141  and name HG2 ))
      6.000     4.500     0.000 peak  1393 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.991 ppm2      2.049 CV     1
 ASSI { 1394}
   (( segid "    " and resid 141  and name HN  ))
   (( segid "    " and resid 141  and name HB2 ))
      6.000     4.500     0.000 peak  1394 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.991 ppm2      1.859 CV     1
 ASSI { 1395}
   (( segid "    " and resid 141  and name HN  ))
   (( segid "    " and resid 141  and name HB1 ))
      6.000     4.500     0.000 peak  1395 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.991 ppm2      1.765 CV     1
 ASSI { 1397}
   (( segid "    " and resid 141  and name HN  ))
   (  segid "    " and resid 146  and name HD1%)
      6.000     4.500     0.000 peak  1397 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.986 ppm2      0.480 CV     1
 ASSI { 1402}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 25   and name HB2 ))
      6.000     4.500     0.000 peak  1402 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.897 ppm2      1.251 CV     1
 ASSI { 1406}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 32   and name HN  ))
      6.000     4.500     0.000 peak  1406 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.204 ppm2      8.969 CV     1
 ASSI { 1408}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 31   and name HA  ))
      6.000     4.500     0.000 peak  1408 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.209 ppm2      5.910 CV     1
 ASSI { 1409}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 62   and name HA  ))
      6.000     4.500     0.000 peak  1409 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.209 ppm2      5.498 CV     1
 ASSI { 1412}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 65   and name HA  ))
      6.000     4.500     0.000 peak  1412 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.209 ppm2      4.589 CV     1
 ASSI { 1413}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 63   and name HB2 ))
      6.000     4.500     0.000 peak  1413 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.208 ppm2      4.067 CV     1
 OR { 1413}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 63   and name HB1 ))
 ASSI { 1415}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 62   and name HB  ))
      6.000     4.500     0.000 peak  1415 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.208 ppm2      3.820 CV     1
 ASSI { 1417}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 61   and name HG2 ))
      6.000     4.500     0.000 peak  1417 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.208 ppm2      1.917 CV     1
 ASSI { 1421}
   (( segid "    " and resid 62   and name HN  ))
   (  segid "    " and resid 62   and name HG2%)
      6.000     4.500     0.000 peak  1421 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.210 ppm2      1.090 CV     1
 ASSI { 1422}
   (( segid "    " and resid 62   and name HN  ))
   (  segid "    " and resid 69   and name HD2%)
      6.000     4.500     0.000 peak  1422 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.209 ppm2      0.969 CV     1
 OR { 1422}
   (( segid "    " and resid 62   and name HN  ))
   (  segid "    " and resid 69   and name HD1%)
 ASSI { 1428}
   (( segid "    " and resid 157  and name HN  ))
   (( segid "    " and resid 156  and name HN  ))
      6.000     4.500     0.000 peak  1428 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.579 ppm2      9.071 CV     1
 ASSI { 1429}
   (( segid "    " and resid 157  and name HN  ))
   (( segid "    " and resid 41   and name HN  ))
      6.000     4.500     0.000 peak  1429 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.586 ppm2      8.931 CV     1
 ASSI { 1431}
   (( segid "    " and resid 157  and name HN  ))
   (( segid "    " and resid 156  and name HD22))
      6.000     4.500     0.000 peak  1431 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.583 ppm2      7.706 CV     1
 ASSI { 1434}
   (( segid "    " and resid 157  and name HN  ))
   (( segid "    " and resid 156  and name HA  ))
      6.000     4.500     0.000 peak  1434 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.583 ppm2      4.846 CV     1
 ASSI { 1435}
   (( segid "    " and resid 157  and name HN  ))
   (( segid "    " and resid 157  and name HA  ))
      6.000     4.500     0.000 peak  1435 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.585 ppm2      4.461 CV     1
 ASSI { 1436}
   (( segid "    " and resid 157  and name HN  ))
   (( segid "    " and resid 156  and name HB1 ))
      6.000     4.500     0.000 peak  1436 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.586 ppm2      2.866 CV     1
 ASSI { 1437}
   (( segid "    " and resid 157  and name HN  ))
   (( segid "    " and resid 156  and name HB2 ))
      6.000     4.500     0.000 peak  1437 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.585 ppm2      2.766 CV     1
 ASSI { 1438}
   (( segid "    " and resid 157  and name HN  ))
   (( segid "    " and resid 157  and name HB2 ))
      6.000     4.500     0.000 peak  1438 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.584 ppm2      1.968 CV     1
 ASSI { 1439}
   (( segid "    " and resid 157  and name HN  ))
   (( segid "    " and resid 157  and name HB1 ))
      6.000     4.500     0.000 peak  1439 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.585 ppm2      1.765 CV     1
 ASSI { 1440}
   (( segid "    " and resid 157  and name HN  ))
   (( segid "    " and resid 157  and name HG1 ))
      6.000     4.500     0.000 peak  1440 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.584 ppm2      1.568 CV     1
 ASSI { 1441}
   (( segid "    " and resid 157  and name HN  ))
   (( segid "    " and resid 157  and name HG2 ))
      6.000     4.500     0.000 peak  1441 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.586 ppm2      1.183 CV     1
 ASSI { 1448}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 67   and name HN  ))
      6.000     4.500     0.000 peak  1448 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.170 ppm2      8.722 CV     1
 ASSI { 1449}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 70   and name HN  ))
      6.000     4.500     0.000 peak  1449 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.167 ppm2      7.810 CV     1
 ASSI { 1450}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 72   and name HD2 ))
      6.000     4.500     0.000 peak  1450 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.171 ppm2      7.210 CV     1
 ASSI { 1452}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 68   and name HN  ))
      6.000     4.500     0.000 peak  1452 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.168 ppm2      6.870 CV     1
 ASSI { 1454}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 66   and name HA  ))
      6.000     4.500     0.000 peak  1454 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.168 ppm2      3.357 CV     1
 ASSI { 1455}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 69   and name HB1 ))
      6.000     4.500     0.000 peak  1455 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.167 ppm2      2.201 CV     1
 ASSI { 1458}
   (( segid "    " and resid 69   and name HN  ))
   (  segid "    " and resid 65   and name HB% )
      6.000     4.500     0.000 peak  1458 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.170 ppm2      1.449 CV     1
 ASSI { 1459}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 69   and name HB2 ))
      6.000     4.500     0.000 peak  1459 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.167 ppm2      1.298 CV     1
 ASSI { 1460}
   (( segid "    " and resid 69   and name HN  ))
   (  segid "    " and resid 64   and name HD1%)
      6.000     4.500     0.000 peak  1460 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.165 ppm2      0.732 CV     1
 OR { 1460}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 64   and name HG  ))
 OR { 1460}
   (( segid "    " and resid 69   and name HN  ))
   (  segid "    " and resid 64   and name HD2%)
 ASSI { 1461}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 66   and name HB1 ))
      6.000     4.500     0.000 peak  1461 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.165 ppm2      0.534 CV     1
 ASSI { 1464}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 23   and name HN  ))
      6.000     4.500     0.000 peak  1464 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.900 ppm2      7.753 CV     1
 ASSI { 1465}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 26   and name HN  ))
      6.000     4.500     0.000 peak  1465 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.905 ppm2      7.581 CV     1
 ASSI { 1467}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 27   and name HN  ))
      6.000     4.500     0.000 peak  1467 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.905 ppm2      7.324 CV     1
 ASSI { 1469}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 72   and name HB1 ))
      6.000     4.500     0.000 peak  1469 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.904 ppm2      2.968 CV     1
 ASSI { 1470}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 76   and name HG11))
      6.000     4.500     0.000 peak  1470 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.904 ppm2      2.103 CV     1
 OR { 1470}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 76   and name HG12))
 ASSI { 1471}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 23   and name HD1 ))
      6.000     4.500     0.000 peak  1471 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.903 ppm2      1.679 CV     1
 ASSI { 1475}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 24   and name HA  ))
      6.000     4.500     0.000 peak  1475 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.899 ppm2      4.179 CV     1
 ASSI { 1478}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 23   and name HB2 ))
      6.000     4.500     0.000 peak  1478 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.898 ppm2      1.947 CV     1
 OR { 1478}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 23   and name HB1 ))
 ASSI { 1479}
   (( segid "    " and resid 24   and name HN  ))
   (  segid "    " and resid 24   and name HB% )
      6.000     4.500     0.000 peak  1479 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.898 ppm2      1.518 CV     1
 ASSI { 1481}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 19   and name HA  ))
      6.000     4.500     0.000 peak  1481 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.757 ppm2      4.541 CV     1
 ASSI { 1485}
   (( segid "    " and resid 156  and name HN  ))
   (( segid "    " and resid 158  and name HA  ))
      6.000     4.500     0.000 peak  1485 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.088 ppm2      3.846 CV     1
 ASSI { 1486}
   (( segid "    " and resid 156  and name HN  ))
   (( segid "    " and resid 41   and name HN  ))
      6.000     4.500     0.000 peak  1486 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.080 ppm2      8.939 CV     1
 ASSI { 1489}
   (( segid "    " and resid 156  and name HN  ))
   (( segid "    " and resid 156  and name HD22))
      6.000     4.500     0.000 peak  1489 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.079 ppm2      7.698 CV     1
 ASSI { 1492}
   (( segid "    " and resid 156  and name HN  ))
   (( segid "    " and resid 156  and name HD21))
      6.000     4.500     0.000 peak  1492 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.079 ppm2      7.068 CV     1
 ASSI { 1493}
   (( segid "    " and resid 156  and name HN  ))
   (( segid "    " and resid 156  and name HA  ))
      6.000     4.500     0.000 peak  1493 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.080 ppm2      4.842 CV     1
 ASSI { 1495}
   (( segid "    " and resid 156  and name HN  ))
   (( segid "    " and resid 155  and name HA  ))
      6.000     4.500     0.000 peak  1495 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.079 ppm2      4.520 CV     1
 ASSI { 1497}
   (( segid "    " and resid 156  and name HN  ))
   (( segid "    " and resid 40   and name HB1 ))
      6.000     4.500     0.000 peak  1497 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.076 ppm2      3.091 CV     1
 ASSI { 1500}
   (( segid "    " and resid 156  and name HN  ))
   (( segid "    " and resid 156  and name HB2 ))
      6.000     4.500     0.000 peak  1500 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.080 ppm2      2.762 CV     1
 ASSI { 1502}
   (( segid "    " and resid 156  and name HN  ))
   (( segid "    " and resid 155  and name HB1 ))
      6.000     4.500     0.000 peak  1502 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.079 ppm2      1.695 CV     1
 ASSI { 1503}
   (( segid "    " and resid 156  and name HN  ))
   (( segid "    " and resid 155  and name HB2 ))
      6.000     4.500     0.000 peak  1503 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.077 ppm2      1.504 CV     1
 ASSI { 1504}
   (( segid "    " and resid 156  and name HN  ))
   (( segid "    " and resid 154  and name HD2 ))
      6.000     4.500     0.000 peak  1504 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.080 ppm2      1.386 CV     1
 OR { 1504}
   (( segid "    " and resid 156  and name HN  ))
   (( segid "    " and resid 154  and name HD1 ))
 ASSI { 1506}
   (( segid "    " and resid 156  and name HN  ))
   (( segid "    " and resid 155  and name HG  ))
      6.000     4.500     0.000 peak  1506 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.078 ppm2      0.910 CV     1
 ASSI { 1527}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 23   and name HB2 ))
      6.000     4.500     0.000 peak  1527 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.749 ppm2      1.946 CV     1
 OR { 1527}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 23   and name HB1 ))
 ASSI { 1528}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 23   and name HD1 ))
      6.000     4.500     0.000 peak  1528 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.749 ppm2      1.687 CV     1
 OR { 1528}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 23   and name HD2 ))
 ASSI { 1532}
   (( segid "    " and resid 23   and name HN  ))
   (  segid "    " and resid 76   and name HG2%)
      6.000     4.500     0.000 peak  1532 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.750 ppm2      0.856 CV     1
 ASSI { 1533}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 25   and name HB2 ))
      6.000     4.500     0.000 peak  1533 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.726 ppm2      1.228 CV     1
 ASSI { 1535}
   (( segid "    " and resid 111  and name HN  ))
   (( segid "    " and resid 112  and name HN  ))
      6.000     4.500     0.000 peak  1535 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.604 ppm2      9.711 CV     1
 ASSI { 1536}
   (( segid "    " and resid 111  and name HN  ))
   (( segid "    " and resid 108  and name HN  ))
      6.000     4.500     0.000 peak  1536 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.606 ppm2      8.993 CV     1
 ASSI { 1537}
   (( segid "    " and resid 111  and name HN  ))
   (( segid "    " and resid 109  and name HN  ))
      6.000     4.500     0.000 peak  1537 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.602 ppm2      8.866 CV     1
 ASSI { 1538}
   (( segid "    " and resid 111  and name HN  ))
   (( segid "    " and resid 110  and name HN  ))
      6.000     4.500     0.000 peak  1538 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.605 ppm2      7.936 CV     1
 ASSI { 1544}
   (( segid "    " and resid 111  and name HN  ))
   (( segid "    " and resid 109  and name HA  ))
      6.000     4.500     0.000 peak  1544 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.608 ppm2      4.031 CV     1
 ASSI { 1545}
   (( segid "    " and resid 111  and name HN  ))
   (( segid "    " and resid 111  and name HA  ))
      6.000     4.500     0.000 peak  1545 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.605 ppm2      3.891 CV     1
 ASSI { 1546}
   (( segid "    " and resid 111  and name HN  ))
   (( segid "    " and resid 109  and name HB1 ))
      6.000     4.500     0.000 peak  1546 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.605 ppm2      2.035 CV     1
 ASSI { 1547}
   (( segid "    " and resid 111  and name HN  ))
   (( segid "    " and resid 66   and name HG2 ))
      6.000     4.500     0.000 peak  1547 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.601 ppm2      1.764 CV     1
 ASSI { 1548}
   (( segid "    " and resid 111  and name HN  ))
   (( segid "    " and resid 110  and name HB2 ))
      6.000     4.500     0.000 peak  1548 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.601 ppm2      1.641 CV     1
 ASSI { 1549}
   (( segid "    " and resid 111  and name HN  ))
   (( segid "    " and resid 111  and name HB1 ))
      6.000     4.500     0.000 peak  1549 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.603 ppm2      1.320 CV     1
 ASSI { 1550}
   (( segid "    " and resid 111  and name HN  ))
   (( segid "    " and resid 111  and name HG  ))
      6.000     4.500     0.000 peak  1550 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.604 ppm2      1.018 CV     1
 ASSI { 1551}
   (( segid "    " and resid 111  and name HN  ))
   (( segid "    " and resid 111  and name HB2 ))
      6.000     4.500     0.000 peak  1551 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.603 ppm2      0.899 CV     1
 ASSI { 1552}
   (( segid "    " and resid 111  and name HN  ))
   (  segid "    " and resid 111  and name HD2%)
      6.000     4.500     0.000 peak  1552 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.605 ppm2      0.333 CV     1
 ASSI { 1553}
   (( segid "    " and resid 111  and name HN  ))
   (( segid "    " and resid 110  and name HA  ))
      6.000     4.500     0.000 peak  1553 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.600 ppm2      4.218 CV     1
 ASSI { 1565}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 50   and name HN  ))
      6.000     4.500     0.000 peak  1565 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.513 ppm2      7.624 CV     1
 ASSI { 1566}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 50   and name HE21))
      6.000     4.500     0.000 peak  1566 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.523 ppm2      7.106 CV     1
 ASSI { 1569}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 49   and name HB2 ))
      6.000     4.500     0.000 peak  1569 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.513 ppm2      2.744 CV     1
 ASSI { 1570}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 49   and name HB1 ))
      6.000     4.500     0.000 peak  1570 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.512 ppm2      2.621 CV     1
 ASSI { 1571}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 49   and name HA  ))
      6.000     4.500     0.000 peak  1571 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.511 ppm2      4.600 CV     1
 ASSI { 1576}
   (( segid "    " and resid 105  and name HN  ))
   (( segid "    " and resid 104  and name HN  ))
      6.000     4.500     0.000 peak  1576 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.185 ppm2      8.329 CV     1
 ASSI { 1577}
   (( segid "    " and resid 105  and name HN  ))
   (( segid "    " and resid 105  and name HA  ))
      6.000     4.500     0.000 peak  1577 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.186 ppm2      4.667 CV     1
 ASSI { 1578}
   (( segid "    " and resid 105  and name HN  ))
   (( segid "    " and resid 104  and name HA  ))
      6.000     4.500     0.000 peak  1578 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.184 ppm2      4.248 CV     1
 ASSI { 1579}
   (( segid "    " and resid 105  and name HN  ))
   (( segid "    " and resid 104  and name HG1 ))
      6.000     4.500     0.000 peak  1579 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.181 ppm2      2.527 CV     1
 ASSI { 1581}
   (( segid "    " and resid 105  and name HN  ))
   (( segid "    " and resid 104  and name HB1 ))
      6.000     4.500     0.000 peak  1581 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.184 ppm2      2.375 CV     1
 ASSI { 1582}
   (( segid "    " and resid 105  and name HN  ))
   (( segid "    " and resid 104  and name HB2 ))
      6.000     4.500     0.000 peak  1582 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.183 ppm2      2.160 CV     1
 ASSI { 1583}
   (( segid "    " and resid 105  and name HN  ))
   (( segid "    " and resid 105  and name HB  ))
      6.000     4.500     0.000 peak  1583 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.183 ppm2      2.002 CV     1
 ASSI { 1584}
   (( segid "    " and resid 105  and name HN  ))
   (  segid "    " and resid 105  and name HG2%)
      6.000     4.500     0.000 peak  1584 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.184 ppm2      1.022 CV     1
 OR { 1584}
   (( segid "    " and resid 105  and name HN  ))
   (  segid "    " and resid 105  and name HG1%)
 ASSI { 1589}
   (( segid "    " and resid 111  and name HN  ))
   (( segid "    " and resid 107  and name HA  ))
      6.000     4.500     0.000 peak  1589 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.603 ppm2      5.498 CV     1
 ASSI { 1590}
   (( segid "    " and resid 111  and name HN  ))
   (( segid "    " and resid 108  and name HB  ))
      6.000     4.500     0.000 peak  1590 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.606 ppm2      4.661 CV     1
 ASSI { 1592}
   (( segid "    " and resid 92   and name HN  ))
   (( segid "    " and resid 91   and name HB2 ))
      6.000     4.500     0.000 peak  1592 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.828 ppm2      2.248 CV     1
 ASSI { 1593}
   (( segid "    " and resid 92   and name HN  ))
   (( segid "    " and resid 91   and name HA  ))
      6.000     4.500     0.000 peak  1593 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.821 ppm2      4.579 CV     1
 ASSI { 1616}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 14   and name HD2 ))
      6.000     4.500     0.000 peak  1616 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.189 ppm2      3.995 CV     1
 OR { 1616}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 14   and name HD1 ))
 ASSI { 1619}
   (( segid "    " and resid 118  and name HN  ))
   (( segid "    " and resid 119  and name HN  ))
      6.000     4.500     0.000 peak  1619 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.551 ppm2      8.072 CV     1
 ASSI { 1624}
   (( segid "    " and resid 118  and name HN  ))
   (( segid "    " and resid 118  and name HA  ))
      6.000     4.500     0.000 peak  1624 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.551 ppm2      3.835 CV     1
 ASSI { 1626}
   (( segid "    " and resid 118  and name HN  ))
   (( segid "    " and resid 118  and name HG1 ))
      6.000     4.500     0.000 peak  1626 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.552 ppm2      3.299 CV     1
 ASSI { 1628}
   (( segid "    " and resid 151  and name HN  ))
   (( segid "    " and resid 122  and name HA1 ))
      6.000     4.500     0.000 peak  1628 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.554 ppm2      2.815 CV     1
 ASSI { 1629}
   (( segid "    " and resid 118  and name HN  ))
   (( segid "    " and resid 121  and name HD2 ))
      6.000     4.500     0.000 peak  1629 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.553 ppm2      2.450 CV     1
 ASSI { 1630}
   (( segid "    " and resid 118  and name HN  ))
   (( segid "    " and resid 118  and name HG2 ))
      6.000     4.500     0.000 peak  1630 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.550 ppm2      2.154 CV     1
 ASSI { 1631}
   (( segid "    " and resid 118  and name HN  ))
   (( segid "    " and resid 118  and name HB2 ))
      6.000     4.500     0.000 peak  1631 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.552 ppm2      1.965 CV     1
 ASSI { 1640}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 50   and name HE22))
      6.000     4.500     0.000 peak  1640 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.517 ppm2      7.940 CV     1
 ASSI { 1647}
   (( segid "    " and resid 151  and name HN  ))
   (( segid "    " and resid 150  and name HN  ))
      6.000     4.500     0.000 peak  1647 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.553 ppm2      7.848 CV     1
 ASSI { 1648}
   (( segid "    " and resid 151  and name HN  ))
   (( segid "    " and resid 147  and name HN  ))
      6.000     4.500     0.000 peak  1648 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.554 ppm2      7.410 CV     1
 ASSI { 1649}
   (( segid "    " and resid 151  and name HN  ))
   (( segid "    " and resid 152  and name HN  ))
      6.000     4.500     0.000 peak  1649 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.553 ppm2      7.250 CV     1
 ASSI { 1651}
   (( segid "    " and resid 151  and name HN  ))
   (( segid "    " and resid 148  and name HD2 ))
      6.000     4.500     0.000 peak  1651 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.553 ppm2      6.998 CV     1
 ASSI { 1654}
   (( segid "    " and resid 151  and name HN  ))
   (( segid "    " and resid 153  and name HA  ))
      6.000     4.500     0.000 peak  1654 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.559 ppm2      4.588 CV     1
 ASSI { 1655}
   (( segid "    " and resid 151  and name HN  ))
   (( segid "    " and resid 148  and name HA  ))
      6.000     4.500     0.000 peak  1655 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.556 ppm2      4.468 CV     1
 ASSI { 1656}
   (( segid "    " and resid 151  and name HN  ))
   (( segid "    " and resid 151  and name HA  ))
      6.000     4.500     0.000 peak  1656 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.554 ppm2      4.096 CV     1
 ASSI { 1658}
   (( segid "    " and resid 151  and name HN  ))
   (( segid "    " and resid 152  and name HB2 ))
      6.000     4.500     0.000 peak  1658 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.549 ppm2      3.426 CV     1
 ASSI { 1659}
   (( segid "    " and resid 151  and name HN  ))
   (( segid "    " and resid 150  and name HD1 ))
      6.000     4.500     0.000 peak  1659 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.554 ppm2      3.106 CV     1
 ASSI { 1661}
   (( segid "    " and resid 151  and name HN  ))
   (( segid "    " and resid 150  and name HG1 ))
      6.000     4.500     0.000 peak  1661 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.554 ppm2      1.449 CV     1
 ASSI { 1662}
   (( segid "    " and resid 151  and name HN  ))
   (  segid "    " and resid 151  and name HB% )
      6.000     4.500     0.000 peak  1662 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.554 ppm2      1.212 CV     1
 ASSI { 1663}
   (( segid "    " and resid 151  and name HN  ))
   (( segid "    " and resid 147  and name HB2 ))
      6.000     4.500     0.000 peak  1663 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.553 ppm2      1.067 CV     1
 ASSI { 1664}
   (( segid "    " and resid 151  and name HN  ))
   (( segid "    " and resid 150  and name HB2 ))
      6.000     4.500     0.000 peak  1664 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.553 ppm2      0.917 CV     1
 ASSI { 1673}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 11   and name HB2 ))
      6.000     4.500     0.000 peak  1673 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.302 ppm2      1.248 CV     1
 OR { 1673}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 11   and name HB1 ))
 ASSI { 1674}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 14   and name HA  ))
      6.000     4.500     0.000 peak  1674 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.298 ppm2      4.270 CV     1
 ASSI { 1675}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 11   and name HG  ))
      6.000     4.500     0.000 peak  1675 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.297 ppm2      0.906 CV     1
 ASSI { 1677}
   (( segid "    " and resid 129  and name HN  ))
   (( segid "    " and resid 132  and name HN  ))
      6.000     4.500     0.000 peak  1677 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.632 ppm2      8.296 CV     1
 ASSI { 1678}
   (( segid "    " and resid 129  and name HN  ))
   (( segid "    " and resid 126  and name HE3 ))
      6.000     4.500     0.000 peak  1678 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.638 ppm2      7.807 CV     1
 ASSI { 1679}
   (( segid "    " and resid 129  and name HN  ))
   (( segid "    " and resid 130  and name HN  ))
      6.000     4.500     0.000 peak  1679 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.631 ppm2      7.605 CV     1
 ASSI { 1680}
   (( segid "    " and resid 129  and name HN  ))
   (  segid "    " and resid 129  and name HD% )
      6.000     4.500     0.000 peak  1680 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.634 ppm2      7.209 CV     1
 ASSI { 1681}
   (( segid "    " and resid 129  and name HN  ))
   (( segid "    " and resid 128  and name HN  ))
      6.000     4.500     0.000 peak  1681 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.632 ppm2      6.517 CV     1
 ASSI { 1683}
   (( segid "    " and resid 129  and name HN  ))
   (( segid "    " and resid 129  and name HA  ))
      6.000     4.500     0.000 peak  1683 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.634 ppm2      3.860 CV     1
 ASSI { 1684}
   (( segid "    " and resid 129  and name HN  ))
   (( segid "    " and resid 129  and name HB2 ))
      6.000     4.500     0.000 peak  1684 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.633 ppm2      3.172 CV     1
 ASSI { 1685}
   (( segid "    " and resid 129  and name HN  ))
   (( segid "    " and resid 129  and name HB1 ))
      6.000     4.500     0.000 peak  1685 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.631 ppm2      2.901 CV     1
 ASSI { 1688}
   (( segid "    " and resid 129  and name HN  ))
   (( segid "    " and resid 128  and name HG  ))
      6.000     4.500     0.000 peak  1688 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.635 ppm2      0.288 CV     1
 ASSI { 1691}
   (( segid "    " and resid 129  and name HN  ))
   (( segid "    " and resid 38   and name HB1 ))
      6.000     4.500     0.000 peak  1691 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.626 ppm2      3.627 CV     1
 ASSI { 1695}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 113  and name HA  ))
      6.000     4.500     0.000 peak  1695 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.613 ppm2      4.320 CV     1
 ASSI { 1697}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 47   and name HA  ))
      6.000     4.500     0.000 peak  1697 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.516 ppm2      4.430 CV     1
 ASSI { 1699}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 46   and name HA1 ))
      6.000     4.500     0.000 peak  1699 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.517 ppm2      3.871 CV     1
 ASSI { 1700}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 44   and name HD2 ))
      6.000     4.500     0.000 peak  1700 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.517 ppm2      3.742 CV     1
 ASSI { 1701}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 48   and name HG1 ))
      6.000     4.500     0.000 peak  1701 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.515 ppm2      2.417 CV     1
 OR { 1701}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 48   and name HG2 ))
 ASSI { 1702}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 48   and name HB1 ))
      6.000     4.500     0.000 peak  1702 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.515 ppm2      2.259 CV     1
 ASSI { 1704}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 48   and name HE21))
      6.000     4.500     0.000 peak  1704 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.507 ppm2      6.879 CV     1
 ASSI { 1705}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 47   and name HD2 ))
      6.000     4.500     0.000 peak  1705 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.511 ppm2      3.677 CV     1
 OR { 1705}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 47   and name HD1 ))
 ASSI { 1716}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 50   and name HA  ))
      6.000     4.500     0.000 peak  1716 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.621 ppm2      4.706 CV     1
 ASSI { 1717}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 49   and name HA  ))
      6.000     4.500     0.000 peak  1717 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.619 ppm2      4.608 CV     1
 ASSI { 1718}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 51   and name HA  ))
      6.000     4.500     0.000 peak  1718 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.616 ppm2      4.462 CV     1
 ASSI { 1720}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 51   and name HD1 ))
      6.000     4.500     0.000 peak  1720 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.625 ppm2      3.549 CV     1
 ASSI { 1721}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 49   and name HB2 ))
      6.000     4.500     0.000 peak  1721 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.617 ppm2      2.739 CV     1
 ASSI { 1722}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 49   and name HB1 ))
      6.000     4.500     0.000 peak  1722 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.620 ppm2      2.628 CV     1
 ASSI { 1723}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 50   and name HG1 ))
      6.000     4.500     0.000 peak  1723 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.619 ppm2      2.301 CV     1
 OR { 1723}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 50   and name HG2 ))
 ASSI { 1724}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 44   and name HB2 ))
      6.000     4.500     0.000 peak  1724 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.623 ppm2      2.181 CV     1
 ASSI { 1726}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 44   and name HG2 ))
      6.000     4.500     0.000 peak  1726 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.620 ppm2      1.916 CV     1
 ASSI { 1727}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 91   and name HB1 ))
      6.000     4.500     0.000 peak  1727 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.622 ppm2      1.837 CV     1
 ASSI { 1733}
   (( segid "    " and resid 109  and name HN  ))
   (( segid "    " and resid 108  and name HN  ))
      6.000     4.500     0.000 peak  1733 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.874 ppm2      9.013 CV     1
 ASSI { 1734}
   (( segid "    " and resid 109  and name HN  ))
   (( segid "    " and resid 110  and name HN  ))
      6.000     4.500     0.000 peak  1734 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.871 ppm2      7.932 CV     1
 ASSI { 1736}
   (( segid "    " and resid 109  and name HN  ))
   (( segid "    " and resid 108  and name HA  ))
      6.000     4.500     0.000 peak  1736 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.874 ppm2      4.822 CV     1
 ASSI { 1737}
   (( segid "    " and resid 109  and name HN  ))
   (( segid "    " and resid 108  and name HB  ))
      6.000     4.500     0.000 peak  1737 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.872 ppm2      4.667 CV     1
 ASSI { 1739}
   (( segid "    " and resid 109  and name HN  ))
   (( segid "    " and resid 109  and name HA  ))
      6.000     4.500     0.000 peak  1739 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.874 ppm2      4.018 CV     1
 ASSI { 1740}
   (( segid "    " and resid 109  and name HN  ))
   (( segid "    " and resid 110  and name HB1 ))
      6.000     4.500     0.000 peak  1740 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.866 ppm2      1.355 CV     1
 ASSI { 1743}
   (( segid "    " and resid 129  and name HN  ))
   (  segid "    " and resid 128  and name HD1%)
      6.000     4.500     0.000 peak  1743 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.623 ppm2      0.571 CV     1
 OR { 1743}
   (( segid "    " and resid 129  and name HN  ))
   (  segid "    " and resid 128  and name HD2%)
 ASSI { 1744}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 102  and name HN  ))
      6.000     4.500     0.000 peak  1744 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.607 ppm2      8.387 CV     1
 ASSI { 1745}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 100  and name HN  ))
      6.000     4.500     0.000 peak  1745 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.608 ppm2      7.504 CV     1
 ASSI { 1746}
   (( segid "    " and resid 129  and name HN  ))
   (( segid "    " and resid 131  and name HN  ))
      6.000     4.500     0.000 peak  1746 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.610 ppm2      6.937 CV     1
 ASSI { 1747}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 59   and name HA  ))
      6.000     4.500     0.000 peak  1747 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.614 ppm2      4.815 CV     1
 ASSI { 1748}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 101  and name HA  ))
      6.000     4.500     0.000 peak  1748 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.608 ppm2      4.538 CV     1
 ASSI { 1756}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 5    and name HN  ))
      6.000     4.500     0.000 peak  1756 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.600 ppm2      9.540 CV     1
 ASSI { 1758}
   (( segid "    " and resid 4    and name HN  ))
   (  segid "    " and resid 4    and name HD% )
      6.000     4.500     0.000 peak  1758 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.600 ppm2      6.830 CV     1
 ASSI { 1760}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 3    and name HA  ))
      6.000     4.500     0.000 peak  1760 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.602 ppm2      4.964 CV     1
 ASSI { 1761}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 4    and name HB2 ))
      6.000     4.500     0.000 peak  1761 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.603 ppm2      2.731 CV     1
 OR { 1761}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 4    and name HB1 ))
 ASSI { 1765}
   (( segid "    " and resid 150  and name HN  ))
   (( segid "    " and resid 149  and name HN  ))
      6.000     4.500     0.000 peak  1765 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.849 ppm2      8.298 CV     1
 ASSI { 1768}
   (( segid "    " and resid 150  and name HN  ))
   (( segid "    " and resid 147  and name HN  ))
      6.000     4.500     0.000 peak  1768 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.848 ppm2      7.413 CV     1
 ASSI { 1769}
   (( segid "    " and resid 150  and name HN  ))
   (( segid "    " and resid 152  and name HN  ))
      6.000     4.500     0.000 peak  1769 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.852 ppm2      7.241 CV     1
 ASSI { 1773}
   (( segid "    " and resid 150  and name HN  ))
   (( segid "    " and resid 150  and name HD1 ))
      6.000     4.500     0.000 peak  1773 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.853 ppm2      3.114 CV     1
 ASSI { 1774}
   (( segid "    " and resid 150  and name HN  ))
   (( segid "    " and resid 150  and name HD2 ))
      6.000     4.500     0.000 peak  1774 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.851 ppm2      2.951 CV     1
 ASSI { 1779}
   (( segid "    " and resid 150  and name HN  ))
   (( segid "    " and resid 149  and name HB  ))
      6.000     4.500     0.000 peak  1779 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.846 ppm2      4.183 CV     1
 ASSI { 1781}
   (( segid "    " and resid 150  and name HN  ))
   (( segid "    " and resid 119  and name HB1 ))
      6.000     4.500     0.000 peak  1781 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.848 ppm2      1.459 CV     1
 ASSI { 1782}
   (( segid "    " and resid 150  and name HN  ))
   (( segid "    " and resid 150  and name HB2 ))
      6.000     4.500     0.000 peak  1782 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.847 ppm2      0.919 CV     1
 ASSI { 1784}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 73   and name HN  ))
      6.000     4.500     0.000 peak  1784 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.812 ppm2      9.276 CV     1
 ASSI { 1785}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 67   and name HN  ))
      6.000     4.500     0.000 peak  1785 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.810 ppm2      8.736 CV     1
 ASSI { 1788}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 68   and name HN  ))
      6.000     4.500     0.000 peak  1788 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.813 ppm2      6.881 CV     1
 ASSI { 1789}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 70   and name HA  ))
      6.000     4.500     0.000 peak  1789 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.813 ppm2      4.551 CV     1
 ASSI { 1791}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 68   and name HG2 ))
      6.000     4.500     0.000 peak  1791 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.812 ppm2      2.378 CV     1
 ASSI { 1793}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 70   and name HB1 ))
      6.000     4.500     0.000 peak  1793 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.811 ppm2      1.842 CV     1
 ASSI { 1797}
   (( segid "    " and resid 70   and name HN  ))
   (  segid "    " and resid 70   and name HD2%)
      6.000     4.500     0.000 peak  1797 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.813 ppm2      0.706 CV     1
 ASSI { 1798}
   (( segid "    " and resid 70   and name HN  ))
   (  segid "    " and resid 70   and name HD1%)
      6.000     4.500     0.000 peak  1798 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.812 ppm2      0.470 CV     1
 ASSI { 1801}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 71   and name HN  ))
      6.000     4.500     0.000 peak  1801 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.809 ppm2      7.683 CV     1
 ASSI { 1802}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 74   and name HN  ))
      6.000     4.500     0.000 peak  1802 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.791 ppm2      8.877 CV     1
 ASSI { 1804}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 48   and name HA  ))
      6.000     4.500     0.000 peak  1804 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.620 ppm2      4.244 CV     1
 ASSI { 1806}
   (( segid "    " and resid 121  and name HN  ))
   (( segid "    " and resid 118  and name HB2 ))
      6.000     4.500     0.000 peak  1806 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.043 ppm2      1.961 CV     1
 ASSI { 1808}
   (( segid "    " and resid 121  and name HN  ))
   (( segid "    " and resid 121  and name HA  ))
      6.000     4.500     0.000 peak  1808 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.038 ppm2      4.289 CV     1
 ASSI { 1817}
   (( segid "    " and resid 109  and name HN  ))
   (( segid "    " and resid 109  and name HB2 ))
      6.000     4.500     0.000 peak  1817 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.871 ppm2      2.031 CV     1
 OR { 1817}
   (( segid "    " and resid 109  and name HN  ))
   (( segid "    " and resid 109  and name HB1 ))
 ASSI { 1818}
   (( segid "    " and resid 109  and name HN  ))
   (  segid "    " and resid 108  and name HG2%)
      6.000     4.500     0.000 peak  1818 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.872 ppm2      1.202 CV     1
 ASSI { 1819}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 98   and name HA  ))
      6.000     4.500     0.000 peak  1819 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.606 ppm2      4.177 CV     1
 ASSI { 1821}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 4    and name HA  ))
      6.000     4.500     0.000 peak  1821 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.603 ppm2      5.609 CV     1
 ASSI { 1822}
   (( segid "    " and resid 150  and name HN  ))
   (( segid "    " and resid 148  and name HB2 ))
      6.000     4.500     0.000 peak  1822 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.843 ppm2      3.243 CV     1
 ASSI { 1823}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 66   and name HA  ))
      6.000     4.500     0.000 peak  1823 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.814 ppm2      3.338 CV     1
 ASSI { 1828}
   (( segid "    " and resid 121  and name HN  ))
   (( segid "    " and resid 122  and name HN  ))
      6.000     4.500     0.000 peak  1828 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.035 ppm2      9.299 CV     1
 ASSI { 1829}
   (( segid "    " and resid 121  and name HN  ))
   (( segid "    " and resid 119  and name HN  ))
      6.000     4.500     0.000 peak  1829 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.040 ppm2      8.065 CV     1
 ASSI { 1830}
   (( segid "    " and resid 121  and name HN  ))
   (( segid "    " and resid 120  and name HN  ))
      6.000     4.500     0.000 peak  1830 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.037 ppm2      7.504 CV     1
 ASSI { 1831}
   (( segid "    " and resid 121  and name HN  ))
   (( segid "    " and resid 152  and name HN  ))
      6.000     4.500     0.000 peak  1831 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.037 ppm2      7.274 CV     1
 ASSI { 1835}
   (( segid "    " and resid 121  and name HN  ))
   (( segid "    " and resid 124  and name HN  ))
      6.000     4.500     0.000 peak  1835 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.037 ppm2      6.500 CV     1
 ASSI { 1836}
   (( segid "    " and resid 121  and name HN  ))
   (( segid "    " and resid 120  and name HA  ))
      6.000     4.500     0.000 peak  1836 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.037 ppm2      5.016 CV     1
 ASSI { 1837}
   (( segid "    " and resid 121  and name HN  ))
   (( segid "    " and resid 120  and name HB2 ))
      6.000     4.500     0.000 peak  1837 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.040 ppm2      3.001 CV     1
 ASSI { 1839}
   (( segid "    " and resid 121  and name HN  ))
   (( segid "    " and resid 121  and name HG1 ))
      6.000     4.500     0.000 peak  1839 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.037 ppm2      1.394 CV     1
 ASSI { 1843}
   (( segid "    " and resid 121  and name HN  ))
   (( segid "    " and resid 125  and name HG  ))
      6.000     4.500     0.000 peak  1843 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.037 ppm2      0.338 CV     1
 ASSI { 1844}
   (( segid "    " and resid 121  and name HN  ))
   (( segid "    " and resid 121  and name HB2 ))
      6.000     4.500     0.000 peak  1844 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.037 ppm2     -0.393 CV     1
 ASSI { 1846}
   (( segid "    " and resid 122  and name HN  ))
   (( segid "    " and resid 122  and name HA2 ))
      6.000     4.500     0.000 peak  1846 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.311 ppm2      4.063 CV     1
 ASSI { 1850}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 19   and name HD22))
      6.000     4.500     0.000 peak  1850 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.429 ppm2      6.843 CV     1
 ASSI { 1858}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 43   and name HA  ))
      6.000     4.500     0.000 peak  1858 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.995 ppm2      5.099 CV     1
 ASSI { 1859}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 51   and name HA  ))
      6.000     4.500     0.000 peak  1859 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.995 ppm2      4.442 CV     1
 ASSI { 1860}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 14   and name HD1 ))
      6.000     4.500     0.000 peak  1860 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.999 ppm2      3.979 CV     1
 OR { 1860}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 14   and name HD2 ))
 ASSI { 1861}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 44   and name HD1 ))
      6.000     4.500     0.000 peak  1861 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.995 ppm2      3.941 CV     1
 ASSI { 1863}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 52   and name HB1 ))
      6.000     4.500     0.000 peak  1863 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.997 ppm2      2.727 CV     1
 ASSI { 1864}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 51   and name HB1 ))
      6.000     4.500     0.000 peak  1864 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.996 ppm2      2.352 CV     1
 ASSI { 1865}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 44   and name HB1 ))
      6.000     4.500     0.000 peak  1865 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.998 ppm2      2.198 CV     1
 OR { 1865}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 44   and name HB2 ))
 ASSI { 1867}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 44   and name HG2 ))
      6.000     4.500     0.000 peak  1867 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.998 ppm2      1.912 CV     1
 ASSI { 1870}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 41   and name HG1 ))
      6.000     4.500     0.000 peak  1870 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.987 ppm2      1.150 CV     1
 ASSI { 1874}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 29   and name HD2 ))
      6.000     4.500     0.000 peak  1874 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.736 ppm2      3.669 CV     1
 ASSI { 1875}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 74   and name HG1 ))
      6.000     4.500     0.000 peak  1875 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.732 ppm2      2.398 CV     1
 ASSI { 1877}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 73   and name HN  ))
      6.000     4.500     0.000 peak  1877 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.727 ppm2      9.288 CV     1
 ASSI { 1878}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 74   and name HN  ))
      6.000     4.500     0.000 peak  1878 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.728 ppm2      8.889 CV     1
 ASSI { 1879}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 71   and name HD22))
      6.000     4.500     0.000 peak  1879 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.728 ppm2      7.405 CV     1
 ASSI { 1881}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 70   and name HA  ))
      6.000     4.500     0.000 peak  1881 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.727 ppm2      4.524 CV     1
 ASSI { 1883}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 69   and name HA  ))
      6.000     4.500     0.000 peak  1883 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.725 ppm2      4.171 CV     1
 ASSI { 1886}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 72   and name HB2 ))
      6.000     4.500     0.000 peak  1886 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.730 ppm2      3.427 CV     1
 ASSI { 1887}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 72   and name HB1 ))
      6.000     4.500     0.000 peak  1887 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.728 ppm2      2.957 CV     1
 ASSI { 1889}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 71   and name HB1 ))
      6.000     4.500     0.000 peak  1889 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.729 ppm2      2.591 CV     1
 ASSI { 1892}
   (( segid "    " and resid 72   and name HN  ))
   (  segid "    " and resid 73   and name HG2%)
      6.000     4.500     0.000 peak  1892 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.726 ppm2      1.042 CV     1
 ASSI { 1895}
   (( segid "    " and resid 72   and name HN  ))
   (  segid "    " and resid 28   and name HG2%)
      6.000     4.500     0.000 peak  1895 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.729 ppm2      0.603 CV     1
 ASSI { 1900}
   (( segid "    " and resid 122  and name HN  ))
   (( segid "    " and resid 121  and name HA  ))
      6.000     4.500     0.000 peak  1900 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.314 ppm2      4.279 CV     1
 ASSI { 1909}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 19   and name HD21))
      6.000     4.500     0.000 peak  1909 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.425 ppm2      7.387 CV     1
 ASSI { 1910}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 19   and name HA  ))
      6.000     4.500     0.000 peak  1910 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.431 ppm2      4.565 CV     1
 ASSI { 1911}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 16   and name HA  ))
      6.000     4.500     0.000 peak  1911 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.429 ppm2      4.086 CV     1
 ASSI { 1912}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 15   and name HA  ))
      6.000     4.500     0.000 peak  1912 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.428 ppm2      3.474 CV     1
 ASSI { 1913}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 18   and name HA  ))
      6.000     4.500     0.000 peak  1913 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.428 ppm2      3.335 CV     1
 ASSI { 1914}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 19   and name HB1 ))
      6.000     4.500     0.000 peak  1914 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.431 ppm2      2.881 CV     1
 ASSI { 1915}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 19   and name HB2 ))
      6.000     4.500     0.000 peak  1915 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.429 ppm2      2.674 CV     1
 ASSI { 1916}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 22   and name HB2 ))
      6.000     4.500     0.000 peak  1916 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.426 ppm2      2.091 CV     1
 ASSI { 1917}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 18   and name HB  ))
      6.000     4.500     0.000 peak  1917 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.429 ppm2      1.586 CV     1
 ASSI { 1918}
   (( segid "    " and resid 19   and name HN  ))
   (  segid "    " and resid 20   and name HB% )
      6.000     4.500     0.000 peak  1918 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.430 ppm2      1.533 CV     1
 ASSI { 1919}
   (( segid "    " and resid 19   and name HN  ))
   (  segid "    " and resid 22   and name HD2%)
      6.000     4.500     0.000 peak  1919 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.423 ppm2      1.096 CV     1
 ASSI { 1920}
   (( segid "    " and resid 19   and name HN  ))
   (  segid "    " and resid 18   and name HG2%)
      6.000     4.500     0.000 peak  1920 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.429 ppm2      0.649 CV     1
 ASSI { 1921}
   (( segid "    " and resid 19   and name HN  ))
   (  segid "    " and resid 18   and name HG1%)
      6.000     4.500     0.000 peak  1921 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.430 ppm2      0.309 CV     1
 ASSI { 1924}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 77   and name HA  ))
      6.000     4.500     0.000 peak  1924 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.300 ppm2      3.700 CV     1
 ASSI { 1925}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 77   and name HG2 ))
      6.000     4.500     0.000 peak  1925 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.294 ppm2      2.845 CV     1
 ASSI { 1926}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 77   and name HG1 ))
      6.000     4.500     0.000 peak  1926 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.297 ppm2      2.034 CV     1
 ASSI { 1928}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 94   and name HB1 ))
      6.000     4.500     0.000 peak  1928 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.299 ppm2      1.723 CV     1
 ASSI { 1930}
   (( segid "    " and resid 77   and name HN  ))
   (  segid "    " and resid 76   and name HG2%)
      6.000     4.500     0.000 peak  1930 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.299 ppm2      0.845 CV     1
 ASSI { 1931}
   (( segid "    " and resid 77   and name HN  ))
   (  segid "    " and resid 94   and name HD2%)
      6.000     4.500     0.000 peak  1931 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.297 ppm2      0.756 CV     1
 OR { 1931}
   (( segid "    " and resid 77   and name HN  ))
   (  segid "    " and resid 94   and name HD1%)
 OR { 1931}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 94   and name HG  ))
 ASSI { 1934}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 77   and name HB2 ))
      6.000     4.500     0.000 peak  1934 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.289 ppm2      2.588 CV     1
 ASSI { 1935}
   (( segid "    " and resid 77   and name HN  ))
   (  segid "    " and resid 20   and name HB% )
      6.000     4.500     0.000 peak  1935 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.289 ppm2      1.558 CV     1
 ASSI { 1936}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 53   and name HN  ))
      6.000     4.500     0.000 peak  1936 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.999 ppm2      8.735 CV     1
 ASSI { 1940}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 44   and name HD2 ))
      6.000     4.500     0.000 peak  1940 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.997 ppm2      3.749 CV     1
 ASSI { 1941}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 41   and name HG2 ))
      6.000     4.500     0.000 peak  1941 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.997 ppm2      1.518 CV     1
 ASSI { 1946}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 25   and name HN  ))
      6.000     4.500     0.000 peak  1946 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.322 ppm2      9.010 CV     1
 ASSI { 1948}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 26   and name HN  ))
      6.000     4.500     0.000 peak  1948 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.321 ppm2      7.577 CV     1
 ASSI { 1951}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 32   and name HD2 ))
      6.000     4.500     0.000 peak  1951 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.320 ppm2      6.987 CV     1
 ASSI { 1953}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 27   and name HA  ))
      6.000     4.500     0.000 peak  1953 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.321 ppm2      4.918 CV     1
 ASSI { 1954}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 24   and name HA  ))
      6.000     4.500     0.000 peak  1954 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.321 ppm2      4.183 CV     1
 ASSI { 1957}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 27   and name HB1 ))
      6.000     4.500     0.000 peak  1957 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.321 ppm2      2.913 CV     1
 ASSI { 1959}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 27   and name HB2 ))
      6.000     4.500     0.000 peak  1959 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.321 ppm2      2.572 CV     1
 ASSI { 1961}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 28   and name HG12))
      6.000     4.500     0.000 peak  1961 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.321 ppm2      2.087 CV     1
 OR { 1961}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 28   and name HG11))
 ASSI { 1964}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 25   and name HB2 ))
      6.000     4.500     0.000 peak  1964 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.320 ppm2      1.249 CV     1
 ASSI { 1968}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 80   and name HB2 ))
      6.000     4.500     0.000 peak  1968 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.619 ppm2      2.317 CV     1
 OR { 1968}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 80   and name HB1 ))
 ASSI { 1970}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 77   and name HN  ))
      6.000     4.500     0.000 peak  1970 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.613 ppm2      8.294 CV     1
 ASSI { 1971}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 78   and name HN  ))
      6.000     4.500     0.000 peak  1971 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.611 ppm2      7.633 CV     1
 ASSI { 1973}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 76   and name HA  ))
      6.000     4.500     0.000 peak  1973 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.610 ppm2      3.748 CV     1
 ASSI { 1974}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 79   and name HG2 ))
      6.000     4.500     0.000 peak  1974 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.615 ppm2      2.616 CV     1
 ASSI { 1975}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 79   and name HG1 ))
      6.000     4.500     0.000 peak  1975 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.613 ppm2      2.466 CV     1
 ASSI { 1976}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 79   and name HB1 ))
      6.000     4.500     0.000 peak  1976 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.611 ppm2      2.179 CV     1
 ASSI { 1977}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 78   and name HG  ))
      6.000     4.500     0.000 peak  1977 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.607 ppm2      1.733 CV     1
 ASSI { 1981}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 20   and name HN  ))
      6.000     4.500     0.000 peak  1981 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.568 ppm2      8.199 CV     1
 ASSI { 1982}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 19   and name HA  ))
      6.000     4.500     0.000 peak  1982 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.565 ppm2      4.564 CV     1
 ASSI { 1986}
   (( segid "    " and resid 22   and name HN  ))
   (  segid "    " and resid 7    and name HD1%)
      6.000     4.500     0.000 peak  1986 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.565 ppm2      0.691 CV     1
 ASSI { 1988}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 24   and name HN  ))
      6.000     4.500     0.000 peak  1988 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.558 ppm2      7.885 CV     1
 ASSI { 1989}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 23   and name HN  ))
      6.000     4.500     0.000 peak  1989 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.563 ppm2      7.747 CV     1
 ASSI { 1991}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 18   and name HA  ))
      6.000     4.500     0.000 peak  1991 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.564 ppm2      3.336 CV     1
 ASSI { 1992}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 22   and name HB2 ))
      6.000     4.500     0.000 peak  1992 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.564 ppm2      2.084 CV     1
 ASSI { 1993}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 22   and name HG  ))
      6.000     4.500     0.000 peak  1993 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.564 ppm2      1.842 CV     1
 ASSI { 1994}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 25   and name HB2 ))
      6.000     4.500     0.000 peak  1994 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.562 ppm2      1.230 CV     1
 ASSI { 1995}
   (( segid "    " and resid 22   and name HN  ))
   (  segid "    " and resid 22   and name HD2%)
      6.000     4.500     0.000 peak  1995 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.563 ppm2      1.093 CV     1
 ASSI { 1997}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 19   and name HB1 ))
      6.000     4.500     0.000 peak  1997 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.546 ppm2      2.900 CV     1
 ASSI { 2005}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 20   and name HA  ))
      6.000     4.500     0.000 peak  2005 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.419 ppm2      4.195 CV     1
 ASSI { 2018}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 67   and name HN  ))
      6.000     4.500     0.000 peak  2018 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.876 ppm2      8.723 CV     1
 ASSI { 2023}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 72   and name HD2 ))
      6.000     4.500     0.000 peak  2023 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.882 ppm2      7.210 CV     1
 ASSI { 2025}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 68   and name HA  ))
      6.000     4.500     0.000 peak  2025 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.875 ppm2      4.320 CV     1
 ASSI { 2026}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 69   and name HA  ))
      6.000     4.500     0.000 peak  2026 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.874 ppm2      4.188 CV     1
 ASSI { 2027}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 67   and name HA  ))
      6.000     4.500     0.000 peak  2027 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.873 ppm2      3.630 CV     1
 ASSI { 2028}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 66   and name HA  ))
      6.000     4.500     0.000 peak  2028 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.876 ppm2      3.355 CV     1
 ASSI { 2029}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 68   and name HG2 ))
      6.000     4.500     0.000 peak  2029 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.874 ppm2      2.394 CV     1
 OR { 2029}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 68   and name HG1 ))
 ASSI { 2031}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 67   and name HB2 ))
      6.000     4.500     0.000 peak  2031 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.876 ppm2      1.834 CV     1
 OR { 2031}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 67   and name HB1 ))
 ASSI { 2033}
   (( segid "    " and resid 68   and name HN  ))
   (  segid "    " and resid 65   and name HB% )
      6.000     4.500     0.000 peak  2033 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.875 ppm2      1.439 CV     1
 ASSI { 2034}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 69   and name HB2 ))
      6.000     4.500     0.000 peak  2034 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.876 ppm2      1.298 CV     1
 ASSI { 2039}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 71   and name HD22))
      6.000     4.500     0.000 peak  2039 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.867 ppm2      7.444 CV     1
 ASSI { 2043}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 77   and name HN  ))
      6.000     4.500     0.000 peak  2043 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.560 ppm2      8.312 CV     1
 ASSI { 2050}
   (( segid "    " and resid 104  and name HN  ))
   (( segid "    " and resid 103  and name HA  ))
      6.000     4.500     0.000 peak  2050 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.332 ppm2      5.174 CV     1
 ASSI { 2052}
   (( segid "    " and resid 104  and name HN  ))
   (( segid "    " and resid 105  and name HA  ))
      6.000     4.500     0.000 peak  2052 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.331 ppm2      4.679 CV     1
 ASSI { 2053}
   (( segid "    " and resid 104  and name HN  ))
   (( segid "    " and resid 138  and name HA  ))
      6.000     4.500     0.000 peak  2053 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.337 ppm2      4.482 CV     1
 ASSI { 2054}
   (( segid "    " and resid 104  and name HN  ))
   (( segid "    " and resid 104  and name HA  ))
      6.000     4.500     0.000 peak  2054 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.332 ppm2      4.246 CV     1
 ASSI { 2055}
   (( segid "    " and resid 104  and name HN  ))
   (( segid "    " and resid 102  and name HA1 ))
      6.000     4.500     0.000 peak  2055 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.332 ppm2      3.863 CV     1
 ASSI { 2056}
   (( segid "    " and resid 104  and name HN  ))
   (( segid "    " and resid 101  and name HB1 ))
      6.000     4.500     0.000 peak  2056 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.335 ppm2      3.303 CV     1
 ASSI { 2057}
   (( segid "    " and resid 104  and name HN  ))
   (( segid "    " and resid 103  and name HB1 ))
      6.000     4.500     0.000 peak  2057 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.333 ppm2      2.990 CV     1
 ASSI { 2058}
   (( segid "    " and resid 104  and name HN  ))
   (( segid "    " and resid 104  and name HG1 ))
      6.000     4.500     0.000 peak  2058 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.332 ppm2      2.511 CV     1
 ASSI { 2059}
   (( segid "    " and resid 104  and name HN  ))
   (( segid "    " and resid 104  and name HB1 ))
      6.000     4.500     0.000 peak  2059 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.332 ppm2      2.380 CV     1
 ASSI { 2060}
   (( segid "    " and resid 104  and name HN  ))
   (( segid "    " and resid 104  and name HB2 ))
      6.000     4.500     0.000 peak  2060 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.331 ppm2      2.167 CV     1
 ASSI { 2068}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 65   and name HA  ))
      6.000     4.500     0.000 peak  2068 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.879 ppm2      4.594 CV     1
 ASSI { 2069}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 66   and name HB1 ))
      6.000     4.500     0.000 peak  2069 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.877 ppm2      0.537 CV     1
 ASSI { 2076}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 54   and name HB2 ))
      6.000     4.500     0.000 peak  2076 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.739 ppm2      0.918 CV     1
 ASSI { 2077}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 42   and name HN  ))
      6.000     4.500     0.000 peak  2077 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.730 ppm2      9.606 CV     1
 ASSI { 2080}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 43   and name HA  ))
      6.000     4.500     0.000 peak  2080 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.728 ppm2      5.105 CV     1
 ASSI { 2083}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 42   and name HB  ))
      6.000     4.500     0.000 peak  2083 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.728 ppm2      4.165 CV     1
 ASSI { 2084}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 44   and name HD1 ))
      6.000     4.500     0.000 peak  2084 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.733 ppm2      3.952 CV     1
 ASSI { 2085}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 52   and name HB1 ))
      6.000     4.500     0.000 peak  2085 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.731 ppm2      2.743 CV     1
 ASSI { 2087}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 52   and name HB2 ))
      6.000     4.500     0.000 peak  2087 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.731 ppm2      2.442 CV     1
 ASSI { 2097}
   (( segid "    " and resid 53   and name HN  ))
   (  segid "    " and resid 42   and name HG2%)
      6.000     4.500     0.000 peak  2097 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.738 ppm2      1.245 CV     1
 ASSI { 2111}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 5    and name HN  ))
      6.000     4.500     0.000 peak  2111 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.152 ppm2      9.511 CV     1
 ASSI { 2114}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 7    and name HN  ))
      6.000     4.500     0.000 peak  2114 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.153 ppm2      8.820 CV     1
 ASSI { 2115}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 59   and name HN  ))
      6.000     4.500     0.000 peak  2115 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.156 ppm2      8.602 CV     1
 ASSI { 2116}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 57   and name HA  ))
      6.000     4.500     0.000 peak  2116 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.154 ppm2      5.659 CV     1
 ASSI { 2117}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 6    and name HA  ))
      6.000     4.500     0.000 peak  2117 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.155 ppm2      5.044 CV     1
 ASSI { 2119}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 59   and name HA  ))
      6.000     4.500     0.000 peak  2119 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.162 ppm2      4.820 CV     1
 ASSI { 2124}
   (( segid "    " and resid 58   and name HN  ))
   (  segid "    " and resid 57   and name HB% )
      6.000     4.500     0.000 peak  2124 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.155 ppm2      1.343 CV     1
 ASSI { 2127}
   (( segid "    " and resid 58   and name HN  ))
   (  segid "    " and resid 58   and name HG2%)
      6.000     4.500     0.000 peak  2127 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.155 ppm2      0.971 CV     1
 OR { 2127}
   (( segid "    " and resid 58   and name HN  ))
   (  segid "    " and resid 58   and name HG1%)
 ASSI { 2130}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 128  and name HG  ))
      6.000     4.500     0.000 peak  2130 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.156 ppm2      0.274 CV     1
 ASSI { 2131}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 60   and name HN  ))
      6.000     4.500     0.000 peak  2131 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.144 ppm2      9.300 CV     1
 ASSI { 2134}
   (( segid "    " and resid 87   and name HN  ))
   (( segid "    " and resid 84   and name HB2 ))
      6.000     4.500     0.000 peak  2134 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.464 ppm2      1.280 CV     1
 ASSI { 2140}
   (( segid "    " and resid 152  and name HN  ))
   (( segid "    " and resid 148  and name HD2 ))
      6.000     4.500     0.000 peak  2140 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.255 ppm2      6.989 CV     1
 ASSI { 2142}
   (( segid "    " and resid 152  and name HN  ))
   (( segid "    " and resid 152  and name HA  ))
      6.000     4.500     0.000 peak  2142 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.255 ppm2      4.633 CV     1
 ASSI { 2143}
   (( segid "    " and resid 152  and name HN  ))
   (( segid "    " and resid 148  and name HA  ))
      6.000     4.500     0.000 peak  2143 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.258 ppm2      4.459 CV     1
 ASSI { 2146}
   (( segid "    " and resid 152  and name HN  ))
   (( segid "    " and resid 147  and name HA  ))
      6.000     4.500     0.000 peak  2146 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.256 ppm2      3.683 CV     1
 ASSI { 2147}
   (( segid "    " and resid 152  and name HN  ))
   (( segid "    " and resid 152  and name HB1 ))
      6.000     4.500     0.000 peak  2147 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.255 ppm2      2.701 CV     1
 ASSI { 2148}
   (( segid "    " and resid 152  and name HN  ))
   (  segid "    " and resid 151  and name HB% )
      6.000     4.500     0.000 peak  2148 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.255 ppm2      1.214 CV     1
 ASSI { 2149}
   (( segid "    " and resid 152  and name HN  ))
   (( segid "    " and resid 155  and name HG  ))
      6.000     4.500     0.000 peak  2149 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.256 ppm2      0.929 CV     1
 ASSI { 2156}
   (( segid "    " and resid 124  and name HN  ))
   (( segid "    " and resid 122  and name HA1 ))
      6.000     4.500     0.000 peak  2156 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.507 ppm2      2.790 CV     1
 ASSI { 2157}
   (( segid "    " and resid 124  and name HN  ))
   (( segid "    " and resid 126  and name HN  ))
      6.000     4.500     0.000 peak  2157 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.497 ppm2      8.737 CV     1
 ASSI { 2158}
   (( segid "    " and resid 124  and name HN  ))
   (( segid "    " and resid 125  and name HN  ))
      6.000     4.500     0.000 peak  2158 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.502 ppm2      7.481 CV     1
 ASSI { 2160}
   (( segid "    " and resid 124  and name HN  ))
   (( segid "    " and resid 123  and name HN  ))
      6.000     4.500     0.000 peak  2160 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.499 ppm2      7.037 CV     1
 ASSI { 2161}
   (( segid "    " and resid 124  and name HN  ))
   (( segid "    " and resid 124  and name HA  ))
      6.000     4.500     0.000 peak  2161 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.502 ppm2      4.386 CV     1
 ASSI { 2162}
   (( segid "    " and resid 124  and name HN  ))
   (( segid "    " and resid 122  and name HA2 ))
      6.000     4.500     0.000 peak  2162 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.501 ppm2      4.064 CV     1
 ASSI { 2164}
   (( segid "    " and resid 124  and name HN  ))
   (( segid "    " and resid 123  and name HB1 ))
      6.000     4.500     0.000 peak  2164 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.496 ppm2      2.893 CV     1
 ASSI { 2173}
   (( segid "    " and resid 124  and name HN  ))
   (  segid "    " and resid 147  and name HD2%)
      6.000     4.500     0.000 peak  2173 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.489 ppm2     -0.539 CV     1
 ASSI { 2174}
   (( segid "    " and resid 124  and name HN  ))
   (( segid "    " and resid 125  and name HG  ))
      6.000     4.500     0.000 peak  2174 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.479 ppm2      0.345 CV     1
 ASSI { 2177}
   (( segid "    " and resid 126  and name HN  ))
   (( segid "    " and resid 129  and name HN  ))
      6.000     4.500     0.000 peak  2177 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.735 ppm2      8.602 CV     1
 ASSI { 2178}
   (( segid "    " and resid 126  and name HN  ))
   (( segid "    " and resid 122  and name HA1 ))
      6.000     4.500     0.000 peak  2178 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.735 ppm2      2.821 CV     1
 ASSI { 2179}
   (( segid "    " and resid 126  and name HN  ))
   (( segid "    " and resid 125  and name HG  ))
      6.000     4.500     0.000 peak  2179 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.736 ppm2      0.338 CV     1
 ASSI { 2180}
   (( segid "    " and resid 126  and name HN  ))
   (( segid "    " and resid 125  and name HN  ))
      6.000     4.500     0.000 peak  2180 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.731 ppm2      7.474 CV     1
 ASSI { 2186}
   (( segid "    " and resid 126  and name HN  ))
   (( segid "    " and resid 126  and name HA  ))
      6.000     4.500     0.000 peak  2186 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.730 ppm2      4.764 CV     1
 ASSI { 2189}
   (( segid "    " and resid 126  and name HN  ))
   (( segid "    " and resid 125  and name HA  ))
      6.000     4.500     0.000 peak  2189 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.728 ppm2      3.832 CV     1
 ASSI { 2191}
   (( segid "    " and resid 126  and name HN  ))
   (( segid "    " and resid 126  and name HB1 ))
      6.000     4.500     0.000 peak  2191 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.730 ppm2      2.977 CV     1
 ASSI { 2192}
   (( segid "    " and resid 126  and name HN  ))
   (( segid "    " and resid 127  and name HG2 ))
      6.000     4.500     0.000 peak  2192 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.728 ppm2      2.021 CV     1
 ASSI { 2195}
   (( segid "    " and resid 126  and name HN  ))
   (( segid "    " and resid 144  and name HG2 ))
      6.000     4.500     0.000 peak  2195 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.727 ppm2      1.589 CV     1
 ASSI { 2196}
   (( segid "    " and resid 126  and name HN  ))
   (( segid "    " and resid 127  and name HG1 ))
      6.000     4.500     0.000 peak  2196 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.730 ppm2      1.447 CV     1
 ASSI { 2201}
   (( segid "    " and resid 126  and name HN  ))
   (  segid "    " and resid 125  and name HD1%)
      6.000     4.500     0.000 peak  2201 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.732 ppm2      0.450 CV     1
 ASSI { 2202}
   (( segid "    " and resid 126  and name HN  ))
   (  segid "    " and resid 147  and name HD2%)
      6.000     4.500     0.000 peak  2202 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.732 ppm2     -0.550 CV     1
 ASSI { 2203}
   (( segid "    " and resid 126  and name HN  ))
   (( segid "    " and resid 126  and name HD1 ))
      6.000     4.500     0.000 peak  2203 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.720 ppm2      6.778 CV     1
 ASSI { 2204}
   (( segid "    " and resid 87   and name HN  ))
   (( segid "    " and resid 87   and name HB1 ))
      6.000     4.500     0.000 peak  2204 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.460 ppm2      2.011 CV     1
 ASSI { 2206}
   (( segid "    " and resid 87   and name HN  ))
   (( segid "    " and resid 87   and name HA  ))
      6.000     4.500     0.000 peak  2206 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.455 ppm2      4.065 CV     1
 ASSI { 2207}
   (( segid "    " and resid 87   and name HN  ))
   (( segid "    " and resid 87   and name HG2 ))
      6.000     4.500     0.000 peak  2207 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.452 ppm2      2.209 CV     1
 OR { 2207}
   (( segid "    " and resid 87   and name HN  ))
   (( segid "    " and resid 87   and name HG1 ))
 ASSI { 2208}
   (( segid "    " and resid 87   and name HN  ))
   (  segid "    " and resid 86   and name HB% )
      6.000     4.500     0.000 peak  2208 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.457 ppm2      1.418 CV     1
 ASSI { 2213}
   (( segid "    " and resid 152  and name HN  ))
   (( segid "    " and resid 147  and name HN  ))
      6.000     4.500     0.000 peak  2213 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.255 ppm2      7.401 CV     1
 ASSI { 2217}
   (( segid "    " and resid 152  and name HN  ))
   (( segid "    " and resid 152  and name HB2 ))
      6.000     4.500     0.000 peak  2217 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.255 ppm2      3.392 CV     1
 ASSI { 2219}
   (( segid "    " and resid 152  and name HN  ))
   (( segid "    " and resid 147  and name HB2 ))
      6.000     4.500     0.000 peak  2219 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.255 ppm2      1.075 CV     1
 ASSI { 2220}
   (( segid "    " and resid 152  and name HN  ))
   (  segid "    " and resid 147  and name HD2%)
      6.000     4.500     0.000 peak  2220 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.257 ppm2     -0.549 CV     1
 ASSI { 2226}
   (( segid "    " and resid 124  and name HN  ))
   (( segid "    " and resid 124  and name HB2 ))
      6.000     4.500     0.000 peak  2226 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.497 ppm2      2.115 CV     1
 OR { 2226}
   (( segid "    " and resid 124  and name HN  ))
   (( segid "    " and resid 124  and name HB1 ))
 ASSI { 2227}
   (( segid "    " and resid 124  and name HN  ))
   (  segid "    " and resid 125  and name HD1%)
      6.000     4.500     0.000 peak  2227 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.501 ppm2      0.461 CV     1
 ASSI { 2229}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 8    and name HA1 ))
      6.000     4.500     0.000 peak  2229 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.546 ppm2      5.738 CV     1
 ASSI { 2230}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 8    and name HA2 ))
      6.000     4.500     0.000 peak  2230 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.544 ppm2      3.765 CV     1
 ASSI { 2231}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 55   and name HB1 ))
      6.000     4.500     0.000 peak  2231 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.544 ppm2      3.144 CV     1
 ASSI { 2233}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 54   and name HN  ))
      6.000     4.500     0.000 peak  2233 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.533 ppm2      8.701 CV     1
 ASSI { 2239}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 68   and name HN  ))
      6.000     4.500     0.000 peak  2239 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.687 ppm2      6.891 CV     1
 ASSI { 2243}
   (( segid "    " and resid 130  and name HN  ))
   (( segid "    " and resid 131  and name HN  ))
      6.000     4.500     0.000 peak  2243 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.618 ppm2      6.914 CV     1
 ASSI { 2245}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 78   and name HA  ))
      6.000     4.500     0.000 peak  2245 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.621 ppm2      4.054 CV     1
 ASSI { 2246}
   (( segid "    " and resid 130  and name HN  ))
   (( segid "    " and resid 129  and name HB2 ))
      6.000     4.500     0.000 peak  2246 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.619 ppm2      3.157 CV     1
 ASSI { 2247}
   (( segid "    " and resid 130  and name HN  ))
   (( segid "    " and resid 130  and name HB2 ))
      6.000     4.500     0.000 peak  2247 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.618 ppm2      2.621 CV     1
 ASSI { 2248}
   (( segid "    " and resid 130  and name HN  ))
   (( segid "    " and resid 130  and name HB1 ))
      6.000     4.500     0.000 peak  2248 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.617 ppm2      2.283 CV     1
 OR { 2248}
   (( segid "    " and resid 130  and name HN  ))
   (( segid "    " and resid 130  and name HG2 ))
 ASSI { 2251}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 78   and name HB2 ))
      6.000     4.500     0.000 peak  2251 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.620 ppm2      1.552 CV     1
 ASSI { 2254}
   (( segid "    " and resid 147  and name HN  ))
   (( segid "    " and resid 148  and name HA  ))
      6.000     4.500     0.000 peak  2254 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.435 ppm2      4.454 CV     1
 ASSI { 2257}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 8    and name HN  ))
      6.000     4.500     0.000 peak  2257 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.541 ppm2      8.786 CV     1
 ASSI { 2261}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 73   and name HN  ))
      6.000     4.500     0.000 peak  2261 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.686 ppm2      9.284 CV     1
 ASSI { 2262}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 69   and name HN  ))
      6.000     4.500     0.000 peak  2262 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.685 ppm2      8.164 CV     1
 ASSI { 2265}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 71   and name HD22))
      6.000     4.500     0.000 peak  2265 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.685 ppm2      7.430 CV     1
 ASSI { 2269}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 70   and name HA  ))
      6.000     4.500     0.000 peak  2269 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.686 ppm2      4.557 CV     1
 ASSI { 2272}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 72   and name HB2 ))
      6.000     4.500     0.000 peak  2272 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.684 ppm2      3.395 CV     1
 ASSI { 2273}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 71   and name HB2 ))
      6.000     4.500     0.000 peak  2273 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.687 ppm2      3.057 CV     1
 ASSI { 2274}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 71   and name HB1 ))
      6.000     4.500     0.000 peak  2274 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.686 ppm2      2.595 CV     1
 ASSI { 2277}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 70   and name HB1 ))
      6.000     4.500     0.000 peak  2277 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.686 ppm2      1.852 CV     1
 ASSI { 2279}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 69   and name HB2 ))
      6.000     4.500     0.000 peak  2279 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.688 ppm2      1.313 CV     1
 ASSI { 2282}
   (( segid "    " and resid 71   and name HN  ))
   (  segid "    " and resid 70   and name HD1%)
      6.000     4.500     0.000 peak  2282 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.685 ppm2      0.464 CV     1
 ASSI { 2287}
   (( segid "    " and resid 130  and name HN  ))
   (( segid "    " and resid 128  and name HN  ))
      6.000     4.500     0.000 peak  2287 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.618 ppm2      6.531 CV     1
 ASSI { 2290}
   (( segid "    " and resid 130  and name HN  ))
   (  segid "    " and resid 57   and name HB% )
      6.000     4.500     0.000 peak  2290 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.619 ppm2      1.325 CV     1
 ASSI { 2293}
   (( segid "    " and resid 130  and name HN  ))
   (( segid "    " and resid 129  and name HB1 ))
      6.000     4.500     0.000 peak  2293 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.611 ppm2      2.904 CV     1
 ASSI { 2294}
   (( segid "    " and resid 130  and name HN  ))
   (( segid "    " and resid 143  and name HG  ))
      6.000     4.500     0.000 peak  2294 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.612 ppm2      0.964 CV     1
 ASSI { 2295}
   (( segid "    " and resid 147  and name HN  ))
   (( segid "    " and resid 149  and name HN  ))
      6.000     4.500     0.000 peak  2295 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.435 ppm2      8.307 CV     1
 ASSI { 2301}
   (( segid "    " and resid 147  and name HN  ))
   (( segid "    " and resid 145  and name HN  ))
      6.000     4.500     0.000 peak  2301 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.429 ppm2      6.730 CV     1
 ASSI { 2302}
   (( segid "    " and resid 147  and name HN  ))
   (( segid "    " and resid 145  and name HA  ))
      6.000     4.500     0.000 peak  2302 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.426 ppm2      4.234 CV     1
 ASSI { 2304}
   (( segid "    " and resid 147  and name HN  ))
   (( segid "    " and resid 147  and name HA  ))
      6.000     4.500     0.000 peak  2304 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.430 ppm2      3.671 CV     1
 ASSI { 2305}
   (( segid "    " and resid 147  and name HN  ))
   (( segid "    " and resid 144  and name HA  ))
      6.000     4.500     0.000 peak  2305 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.429 ppm2      3.522 CV     1
 ASSI { 2307}
   (( segid "    " and resid 147  and name HN  ))
   (( segid "    " and resid 148  and name HB1 ))
      6.000     4.500     0.000 peak  2307 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.430 ppm2      3.183 CV     1
 ASSI { 2308}
   (( segid "    " and resid 147  and name HN  ))
   (( segid "    " and resid 145  and name HG2 ))
      6.000     4.500     0.000 peak  2308 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.423 ppm2      2.473 CV     1
 OR { 2308}
   (( segid "    " and resid 147  and name HN  ))
   (( segid "    " and resid 145  and name HG1 ))
 ASSI { 2309}
   (( segid "    " and resid 147  and name HN  ))
   (( segid "    " and resid 145  and name HB1 ))
      6.000     4.500     0.000 peak  2309 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.423 ppm2      2.254 CV     1
 ASSI { 2310}
   (( segid "    " and resid 147  and name HN  ))
   (( segid "    " and resid 146  and name HB  ))
      6.000     4.500     0.000 peak  2310 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.428 ppm2      1.798 CV     1
 ASSI { 2311}
   (( segid "    " and resid 147  and name HN  ))
   (( segid "    " and resid 146  and name HG11))
      6.000     4.500     0.000 peak  2311 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.430 ppm2      1.572 CV     1
 ASSI { 2313}
   (( segid "    " and resid 147  and name HN  ))
   (( segid "    " and resid 147  and name HB2 ))
      6.000     4.500     0.000 peak  2313 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.428 ppm2      1.092 CV     1
 ASSI { 2314}
   (( segid "    " and resid 147  and name HN  ))
   (( segid "    " and resid 147  and name HG  ))
      6.000     4.500     0.000 peak  2314 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.429 ppm2      0.892 CV     1
 ASSI { 2315}
   (( segid "    " and resid 147  and name HN  ))
   (  segid "    " and resid 146  and name HG2%)
      6.000     4.500     0.000 peak  2315 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.429 ppm2      0.721 CV     1
 ASSI { 2317}
   (( segid "    " and resid 147  and name HN  ))
   (( segid "    " and resid 125  and name HG  ))
      6.000     4.500     0.000 peak  2317 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.427 ppm2      0.338 CV     1
 ASSI { 2319}
   (( segid "    " and resid 147  and name HN  ))
   (  segid "    " and resid 147  and name HD1%)
      6.000     4.500     0.000 peak  2319 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.429 ppm2     -0.492 CV     1
 ASSI { 2320}
   (( segid "    " and resid 147  and name HN  ))
   (  segid "    " and resid 147  and name HD2%)
      6.000     4.500     0.000 peak  2320 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.429 ppm2     -0.535 CV     1
 ASSI { 2326}
   (( segid "    " and resid 144  and name HN  ))
   (( segid "    " and resid 145  and name HA  ))
      6.000     4.500     0.000 peak  2326 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.589 ppm2      4.250 CV     1
 ASSI { 2327}
   (( segid "    " and resid 144  and name HN  ))
   (  segid "    " and resid 147  and name HD1%)
      6.000     4.500     0.000 peak  2327 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.588 ppm2     -0.471 CV     1
 ASSI { 2330}
   (( segid "    " and resid 93   and name HN  ))
   (( segid "    " and resid 93   and name HA  ))
      6.000     4.500     0.000 peak  2330 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.897 ppm2      4.414 CV     1
 ASSI { 2331}
   (( segid "    " and resid 93   and name HN  ))
   (( segid "    " and resid 9    and name HB2 ))
      6.000     6.000     0.000 peak  2331 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.894 ppm2      3.202 CV     1
 ASSI { 2332}
   (( segid "    " and resid 93   and name HN  ))
   (( segid "    " and resid 11   and name HG  ))
      6.000     4.500     0.000 peak  2332 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.892 ppm2      0.869 CV     1
 ASSI { 2333}
   (( segid "    " and resid 93   and name HN  ))
   (( segid "    " and resid 17   and name HE21))
      6.000     4.500     0.000 peak  2333 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.884 ppm2      6.855 CV     1
 ASSI { 2338}
   (( segid "    " and resid 93   and name HN  ))
   (  segid "    " and resid 93   and name HG2%)
      6.000     4.500     0.000 peak  2338 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.887 ppm2      1.162 CV     1
 ASSI { 2347}
   (( segid "    " and resid 144  and name HN  ))
   (  segid "    " and resid 129  and name HD% )
      6.000     4.500     0.000 peak  2347 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.594 ppm2      7.226 CV     1
 ASSI { 2348}
   (( segid "    " and resid 144  and name HN  ))
   (( segid "    " and resid 142  and name HA  ))
      6.000     4.500     0.000 peak  2348 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.594 ppm2      4.819 CV     1
 ASSI { 2350}
   (( segid "    " and resid 144  and name HN  ))
   (( segid "    " and resid 144  and name HA  ))
      6.000     4.500     0.000 peak  2350 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.595 ppm2      3.521 CV     1
 ASSI { 2351}
   (( segid "    " and resid 144  and name HN  ))
   (( segid "    " and resid 144  and name HD1 ))
      6.000     4.500     0.000 peak  2351 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.598 ppm2      3.262 CV     1
 OR { 2351}
   (( segid "    " and resid 144  and name HN  ))
   (( segid "    " and resid 144  and name HD2 ))
 ASSI { 2352}
   (( segid "    " and resid 144  and name HN  ))
   (( segid "    " and resid 143  and name HB1 ))
      6.000     4.500     0.000 peak  2352 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.598 ppm2      1.374 CV     1
 ASSI { 2354}
   (( segid "    " and resid 144  and name HN  ))
   (( segid "    " and resid 142  and name HN  ))
      6.000     4.500     0.000 peak  2354 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.592 ppm2      9.255 CV     1
 ASSI { 2355}
   (( segid "    " and resid 144  and name HN  ))
   (( segid "    " and resid 143  and name HN  ))
      6.000     4.500     0.000 peak  2355 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.592 ppm2      8.410 CV     1
 ASSI { 2356}
   (( segid "    " and resid 144  and name HN  ))
   (( segid "    " and resid 146  and name HN  ))
      6.000     4.500     0.000 peak  2356 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.585 ppm2      7.879 CV     1
 ASSI { 2357}
   (( segid "    " and resid 144  and name HN  ))
   (( segid "    " and resid 125  and name HN  ))
      6.000     4.500     0.000 peak  2357 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.592 ppm2      7.466 CV     1
 ASSI { 2359}
   (( segid "    " and resid 144  and name HN  ))
   (( segid "    " and resid 145  and name HN  ))
      6.000     4.500     0.000 peak  2359 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.589 ppm2      6.741 CV     1
 ASSI { 2364}
   (( segid "    " and resid 144  and name HN  ))
   (( segid "    " and resid 145  and name HG2 ))
      6.000     4.500     0.000 peak  2364 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.592 ppm2      2.478 CV     1
 OR { 2364}
   (( segid "    " and resid 144  and name HN  ))
   (( segid "    " and resid 145  and name HG1 ))
 ASSI { 2365}
   (( segid "    " and resid 144  and name HN  ))
   (( segid "    " and resid 144  and name HB1 ))
      6.000     4.500     0.000 peak  2365 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.592 ppm2      2.132 CV     1
 ASSI { 2366}
   (( segid "    " and resid 144  and name HN  ))
   (( segid "    " and resid 144  and name HB2 ))
      6.000     4.500     0.000 peak  2366 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.592 ppm2      1.795 CV     1
 ASSI { 2367}
   (( segid "    " and resid 144  and name HN  ))
   (( segid "    " and resid 144  and name HG2 ))
      6.000     4.500     0.000 peak  2367 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.591 ppm2      1.592 CV     1
 ASSI { 2370}
   (( segid "    " and resid 144  and name HN  ))
   (  segid "    " and resid 125  and name HD1%)
      6.000     4.500     0.000 peak  2370 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.592 ppm2      0.479 CV     1
 ASSI { 2371}
   (( segid "    " and resid 144  and name HN  ))
   (( segid "    " and resid 125  and name HG  ))
      6.000     4.500     0.000 peak  2371 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.592 ppm2      0.345 CV     1
 ASSI { 2375}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 28   and name HN  ))
      6.000     4.500     0.000 peak  2375 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.985 ppm2      7.142 CV     1
 ASSI { 2377}
   (( segid "    " and resid 93   and name HN  ))
   (( segid "    " and resid 77   and name HB1 ))
      6.000     4.500     0.000 peak  2377 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.896 ppm2      1.850 CV     1
 ASSI { 2379}
   (( segid "    " and resid 93   and name HN  ))
   (( segid "    " and resid 94   and name HB2 ))
      6.000     4.500     0.000 peak  2379 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.885 ppm2      1.428 CV     1
 ASSI { 2380}
   (( segid "    " and resid 120  and name HD21))
   (( segid "    " and resid 120  and name HD22))
      6.000     4.500     0.000 peak  2380 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.063 ppm2      6.900 CV     1
 ASSI { 2381}
   (( segid "    " and resid 120  and name HD21))
   (( segid "    " and resid 120  and name HB1 ))
      6.000     4.500     0.000 peak  2381 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.062 ppm2      2.549 CV     1
 ASSI { 2384}
   (( segid "    " and resid 148  and name HN  ))
   (( segid "    " and resid 149  and name HN  ))
      6.000     4.500     0.000 peak  2384 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.566 ppm2      8.297 CV     1
 ASSI { 2386}
   (( segid "    " and resid 148  and name HN  ))
   (( segid "    " and resid 147  and name HN  ))
      6.000     4.500     0.000 peak  2386 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.566 ppm2      7.424 CV     1
 ASSI { 2388}
   (( segid "    " and resid 148  and name HN  ))
   (( segid "    " and resid 145  and name HN  ))
      6.000     4.500     0.000 peak  2388 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.567 ppm2      6.724 CV     1
 ASSI { 2389}
   (( segid "    " and resid 148  and name HN  ))
   (( segid "    " and resid 153  and name HA  ))
      6.000     4.500     0.000 peak  2389 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.568 ppm2      4.582 CV     1
 ASSI { 2390}
   (( segid "    " and resid 148  and name HN  ))
   (( segid "    " and resid 148  and name HA  ))
      6.000     4.500     0.000 peak  2390 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.567 ppm2      4.455 CV     1
 ASSI { 2391}
   (( segid "    " and resid 148  and name HN  ))
   (( segid "    " and resid 145  and name HA  ))
      6.000     4.500     0.000 peak  2391 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.565 ppm2      4.235 CV     1
 ASSI { 2393}
   (( segid "    " and resid 148  and name HN  ))
   (( segid "    " and resid 147  and name HA  ))
      6.000     4.500     0.000 peak  2393 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.567 ppm2      3.674 CV     1
 ASSI { 2394}
   (( segid "    " and resid 148  and name HN  ))
   (( segid "    " and resid 144  and name HA  ))
      6.000     4.500     0.000 peak  2394 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.569 ppm2      3.525 CV     1
 ASSI { 2396}
   (( segid "    " and resid 148  and name HN  ))
   (( segid "    " and resid 146  and name HB  ))
      6.000     4.500     0.000 peak  2396 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.562 ppm2      1.795 CV     1
 ASSI { 2397}
   (( segid "    " and resid 148  and name HN  ))
   (( segid "    " and resid 144  and name HG2 ))
      6.000     4.500     0.000 peak  2397 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.568 ppm2      1.613 CV     1
 OR { 2397}
   (( segid "    " and resid 148  and name HN  ))
   (( segid "    " and resid 144  and name HG1 ))
 ASSI { 2398}
   (( segid "    " and resid 148  and name HN  ))
   (  segid "    " and resid 149  and name HG2%)
      6.000     4.500     0.000 peak  2398 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.565 ppm2      1.258 CV     1
 ASSI { 2399}
   (( segid "    " and resid 148  and name HN  ))
   (( segid "    " and resid 147  and name HB2 ))
      6.000     4.500     0.000 peak  2399 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.566 ppm2      1.098 CV     1
 ASSI { 2400}
   (( segid "    " and resid 148  and name HN  ))
   (( segid "    " and resid 150  and name HB2 ))
      6.000     4.500     0.000 peak  2400 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.565 ppm2      0.917 CV     1
 ASSI { 2401}
   (( segid "    " and resid 148  and name HN  ))
   (( segid "    " and resid 147  and name HB1 ))
      6.000     4.500     0.000 peak  2401 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.566 ppm2      0.694 CV     1
 ASSI { 2402}
   (( segid "    " and resid 148  and name HN  ))
   (  segid "    " and resid 147  and name HD2%)
      6.000     4.500     0.000 peak  2402 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.568 ppm2     -0.535 CV     1
 ASSI { 2403}
   (( segid "    " and resid 148  and name HN  ))
   (( segid "    " and resid 145  and name HG2 ))
      6.000     4.500     0.000 peak  2403 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.561 ppm2      2.470 CV     1
 OR { 2403}
   (( segid "    " and resid 148  and name HN  ))
   (( segid "    " and resid 145  and name HG1 ))
 ASSI { 2404}
   (( segid "    " and resid 148  and name HN  ))
   (( segid "    " and resid 119  and name HB1 ))
      6.000     4.500     0.000 peak  2404 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.557 ppm2      1.469 CV     1
 ASSI { 2405}
   (( segid "    " and resid 120  and name HD22))
   (( segid "    " and resid 120  and name HN  ))
      6.000     4.500     0.000 peak  2405 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.915 ppm2      7.502 CV     1
 ASSI { 2410}
   (( segid "    " and resid 120  and name HD22))
   (( segid "    " and resid 120  and name HB2 ))
      6.000     4.500     0.000 peak  2410 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.903 ppm2      3.000 CV     1
 ASSI { 2411}
   (( segid "    " and resid 120  and name HD22))
   (( segid "    " and resid 120  and name HB1 ))
      6.000     4.500     0.000 peak  2411 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.900 ppm2      2.542 CV     1
 ASSI { 2416}
   (( segid "    " and resid 145  and name HN  ))
   (( segid "    " and resid 143  and name HN  ))
      6.000     4.500     0.000 peak  2416 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.747 ppm2      8.419 CV     1
 ASSI { 2418}
   (( segid "    " and resid 145  and name HN  ))
   (( segid "    " and resid 145  and name HE21))
      6.000     4.500     0.000 peak  2418 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.741 ppm2      7.564 CV     1
 ASSI { 2421}
   (( segid "    " and resid 145  and name HN  ))
   (( segid "    " and resid 142  and name HA  ))
      6.000     4.500     0.000 peak  2421 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.747 ppm2      4.815 CV     1
 ASSI { 2422}
   (( segid "    " and resid 145  and name HN  ))
   (( segid "    " and resid 145  and name HA  ))
      6.000     4.500     0.000 peak  2422 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.744 ppm2      4.244 CV     1
 ASSI { 2424}
   (( segid "    " and resid 145  and name HN  ))
   (( segid "    " and resid 146  and name HA  ))
      6.000     4.500     0.000 peak  2424 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.742 ppm2      3.650 CV     1
 ASSI { 2425}
   (( segid "    " and resid 145  and name HN  ))
   (( segid "    " and resid 144  and name HA  ))
      6.000     4.500     0.000 peak  2425 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.742 ppm2      3.524 CV     1
 ASSI { 2426}
   (( segid "    " and resid 145  and name HN  ))
   (( segid "    " and resid 142  and name HG1 ))
      6.000     4.500     0.000 peak  2426 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.745 ppm2      2.809 CV     1
 ASSI { 2427}
   (( segid "    " and resid 145  and name HN  ))
   (( segid "    " and resid 142  and name HG2 ))
      6.000     4.500     0.000 peak  2427 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.744 ppm2      2.658 CV     1
 ASSI { 2428}
   (( segid "    " and resid 145  and name HN  ))
   (( segid "    " and resid 145  and name HG2 ))
      6.000     4.500     0.000 peak  2428 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.743 ppm2      2.480 CV     1
 OR { 2428}
   (( segid "    " and resid 145  and name HN  ))
   (( segid "    " and resid 145  and name HG1 ))
 ASSI { 2435}
   (( segid "    " and resid 145  and name HN  ))
   (( segid "    " and resid 146  and name HG12))
      6.000     4.500     0.000 peak  2435 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.745 ppm2      0.970 CV     1
 ASSI { 2441}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 31   and name HN  ))
      6.000     4.500     0.000 peak  2441 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.986 ppm2      7.286 CV     1
 ASSI { 2442}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 31   and name HA  ))
      6.000     4.500     0.000 peak  2442 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.983 ppm2      5.929 CV     1
 ASSI { 2443}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 31   and name HB1 ))
      6.000     4.500     0.000 peak  2443 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.983 ppm2      3.583 CV     1
 OR { 2443}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 31   and name HB2 ))
 ASSI { 2444}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 32   and name HB2 ))
      6.000     4.500     0.000 peak  2444 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.986 ppm2      3.354 CV     1
 ASSI { 2445}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 32   and name HB1 ))
      6.000     4.500     0.000 peak  2445 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.984 ppm2      3.127 CV     1
 ASSI { 2446}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 61   and name HG1 ))
      6.000     4.500     0.000 peak  2446 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.984 ppm2      2.192 CV     1
 ASSI { 2449}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 60   and name HG  ))
      6.000     4.500     0.000 peak  2449 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.982 ppm2      1.273 CV     1
 ASSI { 2450}
   (( segid "    " and resid 32   and name HN  ))
   (  segid "    " and resid 60   and name HD2%)
      6.000     4.500     0.000 peak  2450 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.982 ppm2      0.662 CV     1
 ASSI { 2454}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 32   and name HA  ))
      6.000     4.500     0.000 peak  2454 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.977 ppm2      4.902 CV     1
 ASSI { 2456}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 62   and name HB  ))
      6.000     4.500     0.000 peak  2456 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.976 ppm2      3.829 CV     1
 ASSI { 2457}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 25   and name HG  ))
      6.000     4.500     0.000 peak  2457 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.980 ppm2      1.934 CV     1
 ASSI { 2460}
   (( segid "    " and resid 120  and name HD21))
   (( segid "    " and resid 120  and name HB2 ))
      6.000     4.500     0.000 peak  2460 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.069 ppm2      3.000 CV     1
 ASSI { 2465}
   (( segid "    " and resid 125  and name HN  ))
   (( segid "    " and resid 124  and name HA  ))
      6.000     4.500     0.000 peak  2465 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.488 ppm2      4.390 CV     1
 ASSI { 2469}
   (( segid "    " and resid 125  and name HN  ))
   (( segid "    " and resid 126  and name HB2 ))
      6.000     4.500     0.000 peak  2469 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.487 ppm2      3.005 CV     1
 ASSI { 2470}
   (( segid "    " and resid 125  and name HN  ))
   (( segid "    " and resid 124  and name HB2 ))
      6.000     4.500     0.000 peak  2470 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.489 ppm2      2.126 CV     1
 OR { 2470}
   (( segid "    " and resid 125  and name HN  ))
   (( segid "    " and resid 124  and name HB1 ))
 OR { 2470}
   (( segid "    " and resid 125  and name HN  ))
   (( segid "    " and resid 124  and name HG2 ))
 OR { 2470}
   (( segid "    " and resid 125  and name HN  ))
   (( segid "    " and resid 124  and name HG1 ))
 ASSI { 2478}
   (( segid "    " and resid 125  and name HN  ))
   (  segid "    " and resid 125  and name HD1%)
      6.000     4.500     0.000 peak  2478 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.487 ppm2      0.456 CV     1
 ASSI { 2479}
   (( segid "    " and resid 125  and name HN  ))
   (( segid "    " and resid 125  and name HG  ))
      6.000     4.500     0.000 peak  2479 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.485 ppm2      0.335 CV     1
 ASSI { 2480}
   (( segid "    " and resid 125  and name HN  ))
   (  segid "    " and resid 147  and name HD2%)
      6.000     4.500     0.000 peak  2480 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.489 ppm2     -0.554 CV     1
 ASSI { 2481}
   (( segid "    " and resid 125  and name HN  ))
   (( segid "    " and resid 123  and name HN  ))
      6.000     4.500     0.000 peak  2481 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.482 ppm2      7.028 CV     1
 ASSI { 2485}
   (( segid "    " and resid 119  and name HN  ))
   (( segid "    " and resid 117  and name HN  ))
      6.000     4.500     0.000 peak  2485 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.075 ppm2      8.314 CV     1
 ASSI { 2491}
   (( segid "    " and resid 119  and name HN  ))
   (( segid "    " and resid 119  and name HA  ))
      6.000     4.500     0.000 peak  2491 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.074 ppm2      3.799 CV     1
 ASSI { 2492}
   (( segid "    " and resid 119  and name HN  ))
   (( segid "    " and resid 118  and name HG1 ))
      6.000     4.500     0.000 peak  2492 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.075 ppm2      3.295 CV     1
 ASSI { 2493}
   (( segid "    " and resid 119  and name HN  ))
   (( segid "    " and resid 118  and name HG2 ))
      6.000     4.500     0.000 peak  2493 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.075 ppm2      2.153 CV     1
 ASSI { 2494}
   (( segid "    " and resid 119  and name HN  ))
   (( segid "    " and resid 118  and name HB2 ))
      6.000     4.500     0.000 peak  2494 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.075 ppm2      1.943 CV     1
 ASSI { 2495}
   (( segid "    " and resid 119  and name HN  ))
   (( segid "    " and resid 146  and name HB  ))
      6.000     4.500     0.000 peak  2495 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.077 ppm2      1.820 CV     1
 ASSI { 2496}
   (( segid "    " and resid 119  and name HN  ))
   (( segid "    " and resid 119  and name HB2 ))
      6.000     4.500     0.000 peak  2496 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.076 ppm2      1.646 CV     1
 ASSI { 2497}
   (( segid "    " and resid 119  and name HN  ))
   (( segid "    " and resid 119  and name HB1 ))
      6.000     4.500     0.000 peak  2497 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.077 ppm2      1.474 CV     1
 OR { 2497}
   (( segid "    " and resid 119  and name HN  ))
   (( segid "    " and resid 119  and name HE2 ))
 ASSI { 2498}
   (( segid "    " and resid 119  and name HN  ))
   (( segid "    " and resid 119  and name HG2 ))
      6.000     4.500     0.000 peak  2498 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.076 ppm2      1.270 CV     1
 ASSI { 2500}
   (( segid "    " and resid 119  and name HN  ))
   (  segid "    " and resid 146  and name HG2%)
      6.000     4.500     0.000 peak  2500 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.080 ppm2      0.757 CV     1
 ASSI { 2502}
   (( segid "    " and resid 119  and name HN  ))
   (( segid "    " and resid 125  and name HG  ))
      6.000     4.500     0.000 peak  2502 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.074 ppm2      0.340 CV     1
 ASSI { 2509}
   (( segid "    " and resid 125  and name HN  ))
   (( segid "    " and resid 122  and name HA1 ))
      6.000     4.500     0.000 peak  2509 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.473 ppm2      2.790 CV     1
 ASSI { 2516}
   (( segid "    " and resid 108  and name HN  ))
   (( segid "    " and resid 116  and name HN  ))
      6.000     4.500     0.000 peak  2516 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.999 ppm2      8.352 CV     1
 ASSI { 2517}
   (( segid "    " and resid 108  and name HN  ))
   (( segid "    " and resid 110  and name HN  ))
      6.000     4.500     0.000 peak  2517 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.002 ppm2      7.932 CV     1
 ASSI { 2519}
   (( segid "    " and resid 108  and name HN  ))
   (( segid "    " and resid 107  and name HA  ))
      6.000     4.500     0.000 peak  2519 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.994 ppm2      5.507 CV     1
 ASSI { 2520}
   (( segid "    " and resid 108  and name HN  ))
   (( segid "    " and resid 112  and name HA  ))
      6.000     4.500     0.000 peak  2520 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.997 ppm2      5.214 CV     1
 ASSI { 2521}
   (( segid "    " and resid 108  and name HN  ))
   (( segid "    " and resid 108  and name HA  ))
      6.000     4.500     0.000 peak  2521 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.999 ppm2      4.826 CV     1
 ASSI { 2522}
   (( segid "    " and resid 108  and name HN  ))
   (( segid "    " and resid 108  and name HB  ))
      6.000     4.500     0.000 peak  2522 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.999 ppm2      4.648 CV     1
 ASSI { 2523}
   (( segid "    " and resid 108  and name HN  ))
   (( segid "    " and resid 107  and name HB1 ))
      6.000     4.500     0.000 peak  2523 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.996 ppm2      2.703 CV     1
 ASSI { 2524}
   (( segid "    " and resid 108  and name HN  ))
   (  segid "    " and resid 112  and name HG2%)
      6.000     4.500     0.000 peak  2524 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.000 ppm2      1.433 CV     1
 ASSI { 2525}
   (( segid "    " and resid 108  and name HN  ))
   (  segid "    " and resid 108  and name HG2%)
      6.000     4.500     0.000 peak  2525 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.997 ppm2      1.202 CV     1
 ASSI { 2529}
   (( segid "    " and resid 108  and name HN  ))
   (( segid "    " and resid 107  and name HD21))
      6.000     4.500     0.000 peak  2529 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.993 ppm2      7.789 CV     1
 ASSI { 2538}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 28   and name HN  ))
      6.000     4.500     0.000 peak  2538 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.893 ppm2      7.145 CV     1
 ASSI { 2546}
   (( segid "    " and resid 134  and name HN  ))
   (( segid "    " and resid 142  and name HA  ))
      6.000     4.500     0.000 peak  2546 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.287 ppm2      4.803 CV     1
 ASSI { 2547}
   (( segid "    " and resid 134  and name HN  ))
   (( segid "    " and resid 134  and name HA  ))
      6.000     4.500     0.000 peak  2547 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.285 ppm2      4.544 CV     1
 ASSI { 2548}
   (( segid "    " and resid 134  and name HN  ))
   (( segid "    " and resid 133  and name HA  ))
      6.000     4.500     0.000 peak  2548 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.284 ppm2      4.127 CV     1
 ASSI { 2550}
   (( segid "    " and resid 134  and name HN  ))
   (( segid "    " and resid 133  and name HD2 ))
      6.000     4.500     0.000 peak  2550 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.286 ppm2      3.415 CV     1
 ASSI { 2551}
   (( segid "    " and resid 134  and name HN  ))
   (( segid "    " and resid 133  and name HD1 ))
      6.000     4.500     0.000 peak  2551 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.287 ppm2      3.107 CV     1
 ASSI { 2552}
   (( segid "    " and resid 134  and name HN  ))
   (( segid "    " and resid 134  and name HB2 ))
      6.000     4.500     0.000 peak  2552 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.286 ppm2      2.306 CV     1
 OR { 2552}
   (( segid "    " and resid 134  and name HN  ))
   (( segid "    " and resid 134  and name HG2 ))
 ASSI { 2553}
   (( segid "    " and resid 134  and name HN  ))
   (( segid "    " and resid 134  and name HG1 ))
      6.000     4.500     0.000 peak  2553 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.285 ppm2      2.108 CV     1
 ASSI { 2556}
   (( segid "    " and resid 134  and name HN  ))
   (( segid "    " and resid 133  and name HB2 ))
      6.000     4.500     0.000 peak  2556 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.287 ppm2      1.488 CV     1
 ASSI { 2557}
   (( segid "    " and resid 134  and name HN  ))
   (( segid "    " and resid 135  and name HB1 ))
      6.000     4.500     0.000 peak  2557 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.286 ppm2      1.334 CV     1
 ASSI { 2559}
   (( segid "    " and resid 134  and name HN  ))
   (  segid "    " and resid 132  and name HB% )
      6.000     4.500     0.000 peak  2559 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.285 ppm2      0.991 CV     1
 ASSI { 2560}
   (( segid "    " and resid 134  and name HN  ))
   (  segid "    " and resid 135  and name HD2%)
      6.000     4.500     0.000 peak  2560 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.288 ppm2      0.387 CV     1
 ASSI { 2561}
   (( segid "    " and resid 134  and name HN  ))
   (  segid "    " and resid 135  and name HD1%)
      6.000     4.500     0.000 peak  2561 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.287 ppm2      0.084 CV     1
 ASSI { 2576}
   (( segid "    " and resid 128  and name HN  ))
   (( segid "    " and resid 129  and name HB1 ))
      6.000     4.500     0.000 peak  2576 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.523 ppm2      2.906 CV     1
 ASSI { 2577}
   (( segid "    " and resid 128  and name HN  ))
   (  segid "    " and resid 6    and name HB% )
      6.000     4.500     0.000 peak  2577 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.522 ppm2      1.768 CV     1
 ASSI { 2578}
   (( segid "    " and resid 128  and name HN  ))
   (( segid "    " and resid 131  and name HG11))
      6.000     4.500     0.000 peak  2578 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.522 ppm2      1.593 CV     1
 ASSI { 2579}
   (( segid "    " and resid 128  and name HN  ))
   (( segid "    " and resid 131  and name HG12))
      6.000     4.500     0.000 peak  2579 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.521 ppm2      1.451 CV     1
 ASSI { 2580}
   (( segid "    " and resid 128  and name HN  ))
   (  segid "    " and resid 57   and name HB% )
      6.000     4.500     0.000 peak  2580 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.522 ppm2      1.342 CV     1
 ASSI { 2584}
   (( segid "    " and resid 128  and name HN  ))
   (( segid "    " and resid 127  and name HA  ))
      6.000     4.500     0.000 peak  2584 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.516 ppm2      4.445 CV     1
 ASSI { 2586}
   (( segid "    " and resid 128  and name HN  ))
   (( segid "    " and resid 127  and name HB1 ))
      6.000     4.500     0.000 peak  2586 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.515 ppm2      2.631 CV     1
 ASSI { 2588}
   (( segid "    " and resid 128  and name HN  ))
   (( segid "    " and resid 128  and name HB2 ))
      6.000     4.500     0.000 peak  2588 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.519 ppm2      1.207 CV     1
 ASSI { 2589}
   (( segid "    " and resid 128  and name HN  ))
   (  segid "    " and resid 128  and name HD1%)
      6.000     4.500     0.000 peak  2589 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.515 ppm2      0.570 CV     1
 OR { 2589}
   (( segid "    " and resid 128  and name HN  ))
   (  segid "    " and resid 128  and name HD2%)
 ASSI { 2590}
   (( segid "    " and resid 128  and name HN  ))
   (( segid "    " and resid 128  and name HG  ))
      6.000     4.500     0.000 peak  2590 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.519 ppm2      0.279 CV     1
 ASSI { 2594}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 29   and name HD2 ))
      6.000     4.500     0.000 peak  2594 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.903 ppm2      3.647 CV     1
 ASSI { 2595}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 29   and name HD1 ))
      6.000     4.500     0.000 peak  2595 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.906 ppm2      2.735 CV     1
 ASSI { 2596}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 64   and name HB1 ))
      6.000     4.500     0.000 peak  2596 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.907 ppm2      1.745 CV     1
 ASSI { 2598}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 64   and name HN  ))
      6.000     4.500     0.000 peak  2598 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.896 ppm2      8.556 CV     1
 ASSI { 2599}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 63   and name HN  ))
      6.000     4.500     0.000 peak  2599 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.895 ppm2      8.242 CV     1
 ASSI { 2600}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 31   and name HN  ))
      6.000     4.500     0.000 peak  2600 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.903 ppm2      7.281 CV     1
 ASSI { 2601}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 31   and name HA  ))
      6.000     4.500     0.000 peak  2601 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.900 ppm2      5.947 CV     1
 ASSI { 2602}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 29   and name HA  ))
      6.000     4.500     0.000 peak  2602 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.902 ppm2      4.316 CV     1
 ASSI { 2603}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 63   and name HB2 ))
      6.000     4.500     0.000 peak  2603 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.902 ppm2      4.046 CV     1
 OR { 2603}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 63   and name HB1 ))
 ASSI { 2604}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 30   and name HA  ))
      6.000     4.500     0.000 peak  2604 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.902 ppm2      3.907 CV     1
 ASSI { 2606}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 30   and name HG1 ))
      6.000     4.500     0.000 peak  2606 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.902 ppm2      2.095 CV     1
 ASSI { 2608}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 29   and name HB1 ))
      6.000     4.500     0.000 peak  2608 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.902 ppm2      1.889 CV     1
 ASSI { 2609}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 28   and name HB  ))
      6.000     4.500     0.000 peak  2609 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.901 ppm2      1.518 CV     1
 ASSI { 2610}
   (( segid "    " and resid 30   and name HN  ))
   (  segid "    " and resid 64   and name HD1%)
      6.000     4.500     0.000 peak  2610 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.900 ppm2      0.732 CV     1
 OR { 2610}
   (( segid "    " and resid 30   and name HN  ))
   (  segid "    " and resid 64   and name HD2%)
 OR { 2610}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 64   and name HG  ))
 ASSI { 2611}
   (( segid "    " and resid 30   and name HN  ))
   (  segid "    " and resid 28   and name HG2%)
      6.000     4.500     0.000 peak  2611 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.899 ppm2      0.602 CV     1
 ASSI { 2616}
   (( segid "    " and resid 102  and name HN  ))
   (( segid "    " and resid 1    and name HA  ))
      6.000     4.500     0.000 peak  2616 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.398 ppm2      3.611 CV     1
 ASSI { 2618}
   (( segid "    " and resid 128  and name HN  ))
   (( segid "    " and resid 126  and name HB2 ))
      6.000     4.500     0.000 peak  2618 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.514 ppm2      2.995 CV     1
 ASSI { 2627}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 70   and name HA  ))
      6.000     4.500     0.000 peak  2627 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.287 ppm2      4.556 CV     1
 ASSI { 2628}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 71   and name HA  ))
      6.000     4.500     0.000 peak  2628 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.287 ppm2      4.291 CV     1
 ASSI { 2630}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 72   and name HB2 ))
      6.000     4.500     0.000 peak  2630 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.287 ppm2      3.406 CV     1
 ASSI { 2631}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 72   and name HB1 ))
      6.000     4.500     0.000 peak  2631 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.290 ppm2      2.940 CV     1
 ASSI { 2633}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 74   and name HB2 ))
      6.000     4.500     0.000 peak  2633 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.281 ppm2      2.186 CV     1
 OR { 2633}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 74   and name HB1 ))
 ASSI { 2634}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 96   and name HG  ))
      6.000     4.500     0.000 peak  2634 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.286 ppm2      1.609 CV     1
 ASSI { 2635}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 69   and name HB2 ))
      6.000     4.500     0.000 peak  2635 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.288 ppm2      1.311 CV     1
 ASSI { 2637}
   (( segid "    " and resid 73   and name HN  ))
   (  segid "    " and resid 73   and name HG2%)
      6.000     4.500     0.000 peak  2637 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.288 ppm2      1.054 CV     1
 ASSI { 2650}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 8    and name HA1 ))
      6.000     4.500     0.000 peak  2650 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.782 ppm2      5.757 CV     1
 ASSI { 2651}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 96   and name HA  ))
      6.000     4.500     0.000 peak  2651 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.782 ppm2      5.456 CV     1
 ASSI { 2652}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 7    and name HA  ))
      6.000     4.500     0.000 peak  2652 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.782 ppm2      4.849 CV     1
 ASSI { 2654}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 8    and name HA2 ))
      6.000     4.500     0.000 peak  2654 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.782 ppm2      3.749 CV     1
 ASSI { 2656}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 95   and name HB1 ))
      6.000     4.500     0.000 peak  2656 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.778 ppm2      2.496 CV     1
 ASSI { 2657}
   (( segid "    " and resid 8    and name HN  ))
   (  segid "    " and resid 6    and name HB% )
      6.000     4.500     0.000 peak  2657 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.783 ppm2      1.778 CV     1
 ASSI { 2662}
   (( segid "    " and resid 8    and name HN  ))
   (  segid "    " and resid 7    and name HD1%)
      6.000     4.500     0.000 peak  2662 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.781 ppm2      0.672 CV     1
 ASSI { 2669}
   (( segid "    " and resid 102  and name HN  ))
   (  segid "    " and resid 101  and name HD% )
      6.000     4.500     0.000 peak  2669 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.401 ppm2      7.013 CV     1
 ASSI { 2671}
   (( segid "    " and resid 102  and name HN  ))
   (( segid "    " and resid 3    and name HA  ))
      6.000     4.500     0.000 peak  2671 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.398 ppm2      4.962 CV     1
 ASSI { 2673}
   (( segid "    " and resid 102  and name HN  ))
   (( segid "    " and resid 101  and name HA  ))
      6.000     4.500     0.000 peak  2673 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.399 ppm2      4.532 CV     1
 ASSI { 2675}
   (( segid "    " and resid 102  and name HN  ))
   (( segid "    " and resid 102  and name HA2 ))
      6.000     4.500     0.000 peak  2675 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.398 ppm2      3.867 CV     1
 OR { 2675}
   (( segid "    " and resid 102  and name HN  ))
   (( segid "    " and resid 102  and name HA1 ))
 ASSI { 2676}
   (( segid "    " and resid 102  and name HN  ))
   (( segid "    " and resid 101  and name HB1 ))
      6.000     4.500     0.000 peak  2676 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.398 ppm2      3.317 CV     1
 ASSI { 2677}
   (( segid "    " and resid 102  and name HN  ))
   (( segid "    " and resid 103  and name HB2 ))
      6.000     4.500     0.000 peak  2677 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.400 ppm2      2.669 CV     1
 ASSI { 2678}
   (( segid "    " and resid 102  and name HN  ))
   (( segid "    " and resid 104  and name HB2 ))
      6.000     4.500     0.000 peak  2678 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.403 ppm2      2.171 CV     1
 ASSI { 2680}
   (( segid "    " and resid 102  and name HN  ))
   (( segid "    " and resid 2    and name HB  ))
      6.000     4.500     0.000 peak  2680 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.397 ppm2      1.761 CV     1
 ASSI { 2681}
   (( segid "    " and resid 102  and name HN  ))
   (  segid "    " and resid 3    and name HB% )
      6.000     4.500     0.000 peak  2681 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.401 ppm2      1.216 CV     1
 ASSI { 2682}
   (( segid "    " and resid 102  and name HN  ))
   (  segid "    " and resid 106  and name HG2%)
      6.000     4.500     0.000 peak  2682 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.399 ppm2      0.948 CV     1
 ASSI { 2684}
   (( segid "    " and resid 102  and name HN  ))
   (  segid "    " and resid 100  and name HD1%)
      6.000     4.500     0.000 peak  2684 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.398 ppm2      0.655 CV     1
 ASSI { 2685}
   (( segid "    " and resid 102  and name HN  ))
   (( segid "    " and resid 1    and name HG21))
      6.000     4.500     0.000 peak  2685 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.399 ppm2      0.516 CV     1
 ASSI { 2686}
   (( segid "    " and resid 102  and name HN  ))
   (  segid "    " and resid 2    and name HG1%)
      6.000     4.500     0.000 peak  2686 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.399 ppm2      0.134 CV     1
 ASSI { 2688}
   (( segid "    " and resid 102  and name HN  ))
   (( segid "    " and resid 101  and name HB2 ))
      6.000     4.500     0.000 peak  2688 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.393 ppm2      2.327 CV     1
 ASSI { 2693}
   (( segid "    " and resid 107  and name HD22))
   (( segid "    " and resid 114  and name HG2 ))
      6.000     4.500     0.000 peak  2693 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.789 ppm2      2.005 CV     1
 ASSI { 2697}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 72   and name HA  ))
      6.000     4.500     0.000 peak  2697 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.285 ppm2      4.378 CV     1
 ASSI { 2698}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 73   and name HB  ))
      6.000     4.500     0.000 peak  2698 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.290 ppm2      3.922 CV     1
 ASSI { 2704}
   (( segid "    " and resid 107  and name HD21))
   (( segid "    " and resid 107  and name HD22))
      6.000     4.500     0.000 peak  2704 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.802 ppm2      6.795 CV     1
 ASSI { 2708}
   (( segid "    " and resid 107  and name HD21))
   (( segid "    " and resid 107  and name HB1 ))
      6.000     4.500     0.000 peak  2708 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.802 ppm2      2.687 CV     1
 OR { 2708}
   (( segid "    " and resid 107  and name HD21))
   (( segid "    " and resid 107  and name HB2 ))
 ASSI { 2709}
   (( segid "    " and resid 107  and name HD21))
   (  segid "    " and resid 112  and name HG2%)
      6.000     4.500     0.000 peak  2709 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.803 ppm2      1.429 CV     1
 ASSI { 2713}
   (( segid "    " and resid 156  and name HD22))
   (( segid "    " and resid 156  and name HD21))
      6.000     4.500     0.000 peak  2713 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.697 ppm2      7.075 CV     1
 ASSI { 2714}
   (( segid "    " and resid 156  and name HD22))
   (( segid "    " and resid 156  and name HA  ))
      6.000     4.500     0.000 peak  2714 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.698 ppm2      4.821 CV     1
 ASSI { 2716}
   (( segid "    " and resid 156  and name HD22))
   (( segid "    " and resid 155  and name HA  ))
      6.000     4.500     0.000 peak  2716 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.696 ppm2      4.494 CV     1
 ASSI { 2717}
   (( segid "    " and resid 156  and name HD22))
   (( segid "    " and resid 156  and name HB1 ))
      6.000     4.500     0.000 peak  2717 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.697 ppm2      2.866 CV     1
 ASSI { 2718}
   (( segid "    " and resid 156  and name HD22))
   (( segid "    " and resid 156  and name HB2 ))
      6.000     4.500     0.000 peak  2718 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.697 ppm2      2.760 CV     1
 ASSI { 2726}
   (( segid "    " and resid 156  and name HD21))
   (( segid "    " and resid 156  and name HB1 ))
      6.000     4.500     0.000 peak  2726 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.076 ppm2      2.864 CV     1
 ASSI { 2727}
   (( segid "    " and resid 156  and name HD21))
   (( segid "    " and resid 156  and name HB2 ))
      6.000     4.500     0.000 peak  2727 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.079 ppm2      2.758 CV     1
 ASSI { 2731}
   (( segid "    " and resid 107  and name HD22))
   (( segid "    " and resid 105  and name HA  ))
      6.000     4.500     0.000 peak  2731 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.800 ppm2      4.671 CV     1
 ASSI { 2732}
   (( segid "    " and resid 107  and name HD22))
   (( segid "    " and resid 106  and name HA  ))
      6.000     4.500     0.000 peak  2732 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.797 ppm2      4.278 CV     1
 ASSI { 2733}
   (( segid "    " and resid 107  and name HD22))
   (( segid "    " and resid 107  and name HB1 ))
      6.000     4.500     0.000 peak  2733 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.797 ppm2      2.690 CV     1
 ASSI { 2734}
   (( segid "    " and resid 107  and name HD22))
   (  segid "    " and resid 112  and name HG2%)
      6.000     4.500     0.000 peak  2734 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.799 ppm2      1.428 CV     1
 ASSI { 2740}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 65   and name HA  ))
      6.000     4.500     0.000 peak  2740 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.725 ppm2      4.583 CV     1
 ASSI { 2741}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 110  and name HD1 ))
      6.000     4.500     0.000 peak  2741 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.724 ppm2      3.218 CV     1
 OR { 2741}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 110  and name HD2 ))
 ASSI { 2742}
   (( segid "    " and resid 67   and name HN  ))
   (  segid "    " and resid 111  and name HD1%)
      6.000     4.500     0.000 peak  2742 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.723 ppm2      0.305 CV     1
 ASSI { 2744}
   (( segid "    " and resid 50   and name HE21))
   (( segid "    " and resid 50   and name HA  ))
      6.000     4.500     0.000 peak  2744 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.106 ppm2      4.679 CV     1
 ASSI { 2747}
   (( segid "    " and resid 48   and name HE21))
   (( segid "    " and resid 91   and name HA  ))
      6.000     4.500     0.000 peak  2747 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.882 ppm2      4.555 CV     1
 ASSI { 2750}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 65   and name HN  ))
      6.000     4.500     0.000 peak  2750 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.723 ppm2      8.368 CV     1
 ASSI { 2752}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 71   and name HN  ))
      6.000     4.500     0.000 peak  2752 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.725 ppm2      7.660 CV     1
 ASSI { 2755}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 68   and name HA  ))
      6.000     4.500     0.000 peak  2755 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.725 ppm2      4.311 CV     1
 ASSI { 2757}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 66   and name HD1 ))
      6.000     4.500     0.000 peak  2757 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.725 ppm2      3.382 CV     1
 ASSI { 2758}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 68   and name HG2 ))
      6.000     4.500     0.000 peak  2758 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.727 ppm2      2.396 CV     1
 OR { 2758}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 68   and name HG1 ))
 ASSI { 2759}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 68   and name HB2 ))
      6.000     4.500     0.000 peak  2759 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.727 ppm2      2.257 CV     1
 ASSI { 2760}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 67   and name HG2 ))
      6.000     4.500     0.000 peak  2760 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.724 ppm2      2.148 CV     1
 ASSI { 2761}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 67   and name HB2 ))
      6.000     4.500     0.000 peak  2761 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.725 ppm2      1.838 CV     1
 OR { 2761}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 67   and name HB1 ))
 ASSI { 2763}
   (( segid "    " and resid 67   and name HN  ))
   (  segid "    " and resid 65   and name HB% )
      6.000     4.500     0.000 peak  2763 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.725 ppm2      1.436 CV     1
 ASSI { 2767}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 66   and name HB1 ))
      6.000     4.500     0.000 peak  2767 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.724 ppm2      0.518 CV     1
 ASSI { 2770}
   (( segid "    " and resid 50   and name HE22))
   (( segid "    " and resid 50   and name HE21))
      6.000     4.500     0.000 peak  2770 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.942 ppm2      7.086 CV     1
 ASSI { 2772}
   (( segid "    " and resid 50   and name HE22))
   (( segid "    " and resid 50   and name HG2 ))
      6.000     4.500     0.000 peak  2772 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.943 ppm2      2.305 CV     1
 OR { 2772}
   (( segid "    " and resid 50   and name HE22))
   (( segid "    " and resid 50   and name HG1 ))
 ASSI { 2773}
   (( segid "    " and resid 50   and name HE22))
   (( segid "    " and resid 50   and name HB2 ))
      6.000     4.500     0.000 peak  2773 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.947 ppm2      2.169 CV     1
 OR { 2773}
   (( segid "    " and resid 50   and name HE22))
   (( segid "    " and resid 50   and name HB1 ))
 ASSI { 2775}
   (( segid "    " and resid 48   and name HE22))
   (( segid "    " and resid 48   and name HE21))
      6.000     4.500     0.000 peak  2775 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.616 ppm2      6.883 CV     1
 ASSI { 2777}
   (( segid "    " and resid 48   and name HE22))
   (( segid "    " and resid 51   and name HA  ))
      6.000     4.500     0.000 peak  2777 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.618 ppm2      4.439 CV     1
 ASSI { 2778}
   (( segid "    " and resid 48   and name HE22))
   (( segid "    " and resid 48   and name HA  ))
      6.000     4.500     0.000 peak  2778 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.614 ppm2      4.253 CV     1
 ASSI { 2779}
   (( segid "    " and resid 48   and name HE22))
   (( segid "    " and resid 48   and name HG2 ))
      6.000     4.500     0.000 peak  2779 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.616 ppm2      2.428 CV     1
 OR { 2779}
   (( segid "    " and resid 48   and name HE22))
   (( segid "    " and resid 48   and name HG1 ))
 ASSI { 2781}
   (( segid "    " and resid 48   and name HE22))
   (( segid "    " and resid 48   and name HB2 ))
      6.000     4.500     0.000 peak  2781 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.617 ppm2      1.987 CV     1
 ASSI { 2782}
   (( segid "    " and resid 48   and name HE22))
   (( segid "    " and resid 91   and name HB1 ))
      6.000     4.500     0.000 peak  2782 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.619 ppm2      1.828 CV     1
 ASSI { 2783}
   (( segid "    " and resid 50   and name HE21))
   (( segid "    " and resid 50   and name HG2 ))
      6.000     4.500     0.000 peak  2783 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.102 ppm2      2.304 CV     1
 OR { 2783}
   (( segid "    " and resid 50   and name HE21))
   (( segid "    " and resid 50   and name HG1 ))
 ASSI { 2787}
   (( segid "    " and resid 48   and name HE21))
   (( segid "    " and resid 51   and name HA  ))
      6.000     4.500     0.000 peak  2787 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.886 ppm2      4.449 CV     1
 ASSI { 2788}
   (( segid "    " and resid 48   and name HE21))
   (( segid "    " and resid 48   and name HA  ))
      6.000     4.500     0.000 peak  2788 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.888 ppm2      4.246 CV     1
 ASSI { 2789}
   (( segid "    " and resid 48   and name HE21))
   (( segid "    " and resid 44   and name HD2 ))
      6.000     4.500     0.000 peak  2789 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.893 ppm2      3.716 CV     1
 ASSI { 2790}
   (( segid "    " and resid 48   and name HE21))
   (( segid "    " and resid 91   and name HD2 ))
      6.000     4.500     0.000 peak  2790 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.889 ppm2      3.614 CV     1
 ASSI { 2791}
   (( segid "    " and resid 48   and name HE21))
   (( segid "    " and resid 48   and name HG2 ))
      6.000     4.500     0.000 peak  2791 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.888 ppm2      2.429 CV     1
 OR { 2791}
   (( segid "    " and resid 48   and name HE21))
   (( segid "    " and resid 48   and name HG1 ))
 ASSI { 2809}
   (( segid "    " and resid 110  and name HN  ))
   (( segid "    " and resid 110  and name HD1 ))
      6.000     4.500     0.000 peak  2809 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.939 ppm2      3.235 CV     1
 OR { 2809}
   (( segid "    " and resid 110  and name HN  ))
   (( segid "    " and resid 110  and name HD2 ))
 ASSI { 2812}
   (( segid "    " and resid 110  and name HN  ))
   (( segid "    " and resid 112  and name HB  ))
      6.000     4.500     0.000 peak  2812 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.933 ppm2      4.367 CV     1
 ASSI { 2842}
   (( segid "    " and resid 110  and name HN  ))
   (( segid "    " and resid 108  and name HB  ))
      6.000     4.500     0.000 peak  2842 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.934 ppm2      4.667 CV     1
 ASSI { 2843}
   (( segid "    " and resid 110  and name HN  ))
   (( segid "    " and resid 110  and name HA  ))
      6.000     4.500     0.000 peak  2843 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.935 ppm2      4.224 CV     1
 ASSI { 2844}
   (( segid "    " and resid 110  and name HN  ))
   (( segid "    " and resid 109  and name HA  ))
      6.000     4.500     0.000 peak  2844 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.934 ppm2      4.035 CV     1
 ASSI { 2846}
   (( segid "    " and resid 110  and name HN  ))
   (( segid "    " and resid 109  and name HB1 ))
      6.000     4.500     0.000 peak  2846 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.935 ppm2      2.026 CV     1
 OR { 2846}
   (( segid "    " and resid 110  and name HN  ))
   (( segid "    " and resid 109  and name HB2 ))
 ASSI { 2847}
   (( segid "    " and resid 110  and name HN  ))
   (( segid "    " and resid 110  and name HG1 ))
      6.000     4.500     0.000 peak  2847 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.934 ppm2      1.771 CV     1
 ASSI { 2848}
   (( segid "    " and resid 110  and name HN  ))
   (( segid "    " and resid 110  and name HB2 ))
      6.000     4.500     0.000 peak  2848 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.933 ppm2      1.625 CV     1
 ASSI { 2850}
   (( segid "    " and resid 110  and name HN  ))
   (( segid "    " and resid 110  and name HB1 ))
      6.000     4.500     0.000 peak  2850 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.934 ppm2      1.352 CV     1
 ASSI { 2851}
   (( segid "    " and resid 110  and name HN  ))
   (  segid "    " and resid 108  and name HG2%)
      6.000     4.500     0.000 peak  2851 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.935 ppm2      1.203 CV     1
 ASSI { 2863}
   (( segid "    " and resid 38   and name HN  ))
   (  segid "    " and resid 39   and name HD% )
      6.000     4.500     0.000 peak  2863 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.456 ppm2      6.967 CV     1
 ASSI { 2865}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 37   and name HA  ))
      6.000     4.500     0.000 peak  2865 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.456 ppm2      5.060 CV     1
 ASSI { 2866}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 36   and name HA  ))
      6.000     4.500     0.000 peak  2866 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.457 ppm2      4.819 CV     1
 ASSI { 2867}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 38   and name HA  ))
      6.000     4.500     0.000 peak  2867 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.456 ppm2      4.260 CV     1
 ASSI { 2868}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 37   and name HB1 ))
      6.000     4.500     0.000 peak  2868 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.454 ppm2      4.057 CV     1
 OR { 2868}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 37   and name HB2 ))
 ASSI { 2869}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 38   and name HB1 ))
      6.000     4.500     0.000 peak  2869 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.453 ppm2      3.599 CV     1
 ASSI { 2870}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 157  and name HG1 ))
      6.000     4.500     0.000 peak  2870 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.455 ppm2      1.559 CV     1
 ASSI { 2874}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 56   and name HA  ))
      6.000     4.500     0.000 peak  2874 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.445 ppm2      4.967 CV     1
 ASSI { 2876}
   (( segid "    " and resid 149  and name HN  ))
   (( segid "    " and resid 144  and name HG1 ))
      6.000     4.500     0.000 peak  2876 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.309 ppm2      1.615 CV     1
 ASSI { 2879}
   (( segid "    " and resid 149  and name HN  ))
   (( segid "    " and resid 150  and name HB2 ))
      6.000     4.500     0.000 peak  2879 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.293 ppm2      0.913 CV     1
 ASSI { 2883}
   (( segid "    " and resid 100  and name HN  ))
   (( segid "    " and resid 102  and name HN  ))
      6.000     4.500     0.000 peak  2883 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.510 ppm2      8.364 CV     1
 ASSI { 2886}
   (( segid "    " and resid 100  and name HN  ))
   (( segid "    " and resid 4    and name HA  ))
      6.000     4.500     0.000 peak  2886 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.510 ppm2      5.581 CV     1
 ASSI { 2888}
   (( segid "    " and resid 100  and name HN  ))
   (( segid "    " and resid 115  and name HB2 ))
      6.000     4.500     0.000 peak  2888 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.513 ppm2      3.018 CV     1
 ASSI { 2896}
   (( segid "    " and resid 100  and name HN  ))
   (( segid "    " and resid 99   and name HA  ))
      6.000     4.500     0.000 peak  2896 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.500 ppm2      4.539 CV     1
 ASSI { 2897}
   (( segid "    " and resid 100  and name HN  ))
   (( segid "    " and resid 98   and name HA  ))
      6.000     4.500     0.000 peak  2897 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.502 ppm2      4.190 CV     1
 ASSI { 2899}
   (( segid "    " and resid 100  and name HN  ))
   (( segid "    " and resid 4    and name HB2 ))
      6.000     4.500     0.000 peak  2899 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.502 ppm2      2.693 CV     1
 OR { 2899}
   (( segid "    " and resid 100  and name HN  ))
   (( segid "    " and resid 4    and name HB1 ))
 ASSI { 2900}
   (( segid "    " and resid 100  and name HN  ))
   (( segid "    " and resid 99   and name HB2 ))
      6.000     4.500     0.000 peak  2900 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.505 ppm2      2.275 CV     1
 OR { 2900}
   (( segid "    " and resid 100  and name HN  ))
   (( segid "    " and resid 99   and name HB1 ))
 ASSI { 2901}
   (( segid "    " and resid 100  and name HN  ))
   (( segid "    " and resid 99   and name HG1 ))
      6.000     4.500     0.000 peak  2901 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.505 ppm2      2.196 CV     1
 ASSI { 2902}
   (( segid "    " and resid 100  and name HN  ))
   (( segid "    " and resid 98   and name HB  ))
      6.000     4.500     0.000 peak  2902 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.506 ppm2      2.092 CV     1
 ASSI { 2905}
   (( segid "    " and resid 100  and name HN  ))
   (( segid "    " and resid 100  and name HG  ))
      6.000     4.500     0.000 peak  2905 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.501 ppm2      1.614 CV     1
 ASSI { 2908}
   (( segid "    " and resid 100  and name HN  ))
   (( segid "    " and resid 98   and name HG11))
      6.000     4.500     0.000 peak  2908 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.503 ppm2      0.956 CV     1
 ASSI { 2909}
   (( segid "    " and resid 100  and name HN  ))
   (  segid "    " and resid 113  and name HG1%)
      6.000     4.500     0.000 peak  2909 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.502 ppm2      0.839 CV     1
 ASSI { 2910}
   (( segid "    " and resid 100  and name HN  ))
   (  segid "    " and resid 100  and name HD1%)
      6.000     4.500     0.000 peak  2910 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.504 ppm2      0.670 CV     1
 ASSI { 2914}
   (( segid "    " and resid 71   and name HD22))
   (( segid "    " and resid 71   and name HD21))
      6.000     4.500     0.000 peak  2914 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.431 ppm2      7.183 CV     1
 ASSI { 2915}
   (( segid "    " and resid 71   and name HD22))
   (( segid "    " and resid 71   and name HB1 ))
      6.000     4.500     0.000 peak  2915 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.427 ppm2      2.603 CV     1
 ASSI { 2916}
   (( segid "    " and resid 71   and name HD22))
   (( segid "    " and resid 68   and name HG2 ))
      6.000     4.500     0.000 peak  2916 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.429 ppm2      2.396 CV     1
 OR { 2916}
   (( segid "    " and resid 71   and name HD22))
   (( segid "    " and resid 68   and name HG1 ))
 ASSI { 2917}
   (( segid "    " and resid 71   and name HD21))
   (( segid "    " and resid 71   and name HN  ))
      6.000     4.500     0.000 peak  2917 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.187 ppm2      7.685 CV     1
 ASSI { 2919}
   (( segid "    " and resid 71   and name HD21))
   (( segid "    " and resid 68   and name HN  ))
      6.000     4.500     0.000 peak  2919 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.191 ppm2      6.867 CV     1
 ASSI { 2923}
   (( segid "    " and resid 71   and name HD21))
   (( segid "    " and resid 71   and name HB2 ))
      6.000     4.500     0.000 peak  2923 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.188 ppm2      3.060 CV     1
 ASSI { 2924}
   (( segid "    " and resid 71   and name HD21))
   (( segid "    " and resid 71   and name HB1 ))
      6.000     4.500     0.000 peak  2924 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.188 ppm2      2.585 CV     1
 ASSI { 2936}
   (( segid "    " and resid 149  and name HN  ))
   (( segid "    " and resid 148  and name HD2 ))
      6.000     4.500     0.000 peak  2936 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.299 ppm2      7.006 CV     1
 ASSI { 2938}
   (( segid "    " and resid 149  and name HN  ))
   (( segid "    " and resid 149  and name HB  ))
      6.000     4.500     0.000 peak  2938 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.301 ppm2      4.198 CV     1
 ASSI { 2942}
   (( segid "    " and resid 149  and name HN  ))
   (( segid "    " and resid 144  and name HA  ))
      6.000     4.500     0.000 peak  2942 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.296 ppm2      3.549 CV     1
 ASSI { 2946}
   (( segid "    " and resid 149  and name HN  ))
   (( segid "    " and resid 150  and name HG1 ))
      6.000     4.500     0.000 peak  2946 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.297 ppm2      1.417 CV     1
 ASSI { 2947}
   (( segid "    " and resid 149  and name HN  ))
   (  segid "    " and resid 149  and name HG2%)
      6.000     4.500     0.000 peak  2947 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.301 ppm2      1.265 CV     1
 ASSI { 2954}
   (( segid "    " and resid 100  and name HN  ))
   (( segid "    " and resid 100  and name HB1 ))
      6.000     4.500     0.000 peak  2954 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.504 ppm2      1.795 CV     1
 ASSI { 2959}
   (( segid "    " and resid 71   and name HD22))
   (( segid "    " and resid 71   and name HB2 ))
      6.000     4.500     0.000 peak  2959 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.427 ppm2      3.053 CV     1
 ASSI { 2960}
   (( segid "    " and resid 71   and name HD22))
   (( segid "    " and resid 67   and name HB1 ))
      6.000     4.500     0.000 peak  2960 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.419 ppm2      1.820 CV     1
 OR { 2960}
   (( segid "    " and resid 71   and name HD22))
   (( segid "    " and resid 67   and name HB2 ))
 ASSI { 2967}
   (( segid "    " and resid 145  and name HE21))
   (( segid "    " and resid 145  and name HE22))
      6.000     4.500     0.000 peak  2967 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.592 ppm2      6.935 CV     1
 ASSI { 2978}
   (( segid "    " and resid 145  and name HE22))
   (( segid "    " and resid 142  and name HA  ))
      6.000     4.500     0.000 peak  2978 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.941 ppm2      4.818 CV     1
 ASSI { 2979}
   (( segid "    " and resid 145  and name HE22))
   (( segid "    " and resid 145  and name HB1 ))
      6.000     4.500     0.000 peak  2979 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.940 ppm2      2.215 CV     1
 ASSI { 2982}
   (( segid "    " and resid 145  and name HE22))
   (( segid "    " and resid 144  and name HB1 ))
      6.000     4.500     0.000 peak  2982 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.934 ppm2      2.101 CV     1
 ASSI { 2985}
   (( segid "    " and resid 145  and name HE21))
   (( segid "    " and resid 142  and name HA  ))
      6.000     4.500     0.000 peak  2985 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.592 ppm2      4.819 CV     1
 ASSI { 2987}
   (( segid "    " and resid 145  and name HE21))
   (( segid "    " and resid 145  and name HG2 ))
      6.000     4.500     0.000 peak  2987 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.594 ppm2      2.479 CV     1
 OR { 2987}
   (( segid "    " and resid 145  and name HE21))
   (( segid "    " and resid 145  and name HG1 ))
 ASSI { 2988}
   (( segid "    " and resid 145  and name HE21))
   (( segid "    " and resid 145  and name HB2 ))
      6.000     4.500     0.000 peak  2988 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.593 ppm2      2.318 CV     1
 ASSI { 2989}
   (( segid "    " and resid 145  and name HE21))
   (( segid "    " and resid 147  and name HN  ))
      6.000     4.500     0.000 peak  2989 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.585 ppm2      7.443 CV     1
 ASSI { 2992}
   (( segid "    " and resid 145  and name HE21))
   (( segid "    " and resid 145  and name HA  ))
      6.000     4.500     0.000 peak  2992 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.581 ppm2      4.248 CV     1
 ASSI { 2998}
   (( segid "    " and resid 145  and name HE21))
   (( segid "    " and resid 142  and name HG2 ))
      6.000     4.500     0.000 peak  2998 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.573 ppm2      2.659 CV     1
 ASSI { 3001}
   (( segid "    " and resid 123  and name HN  ))
   (( segid "    " and resid 122  and name HN  ))
      6.000     4.500     0.000 peak  3001 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.046 ppm2      9.302 CV     1
 ASSI { 3002}
   (( segid "    " and resid 123  and name HN  ))
   (( segid "    " and resid 152  and name HN  ))
      6.000     4.500     0.000 peak  3002 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.046 ppm2      7.253 CV     1
 ASSI { 3005}
   (( segid "    " and resid 123  and name HN  ))
   (( segid "    " and resid 123  and name HA  ))
      6.000     4.500     0.000 peak  3005 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.046 ppm2      4.338 CV     1
 ASSI { 3006}
   (( segid "    " and resid 123  and name HN  ))
   (( segid "    " and resid 122  and name HA2 ))
      6.000     4.500     0.000 peak  3006 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.043 ppm2      4.090 CV     1
 ASSI { 3008}
   (( segid "    " and resid 123  and name HN  ))
   (( segid "    " and resid 123  and name HB1 ))
      6.000     4.500     0.000 peak  3008 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.043 ppm2      2.913 CV     1
 ASSI { 3010}
   (( segid "    " and resid 123  and name HN  ))
   (( segid "    " and resid 127  and name HG2 ))
      6.000     4.500     0.000 peak  3010 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.048 ppm2      2.038 CV     1
 ASSI { 3015}
   (( segid "    " and resid 123  and name HN  ))
   (( segid "    " and resid 125  and name HG  ))
      6.000     4.500     0.000 peak  3015 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.046 ppm2      0.340 CV     1
 ASSI { 3016}
   (( segid "    " and resid 123  and name HN  ))
   (( segid "    " and resid 121  and name HB2 ))
      6.000     4.500     0.000 peak  3016 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.044 ppm2     -0.366 CV     1
 ASSI { 3017}
   (( segid "    " and resid 123  and name HN  ))
   (  segid "    " and resid 147  and name HD2%)
      6.000     4.500     0.000 peak  3017 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.046 ppm2     -0.546 CV     1
 ASSI { 3020}
   (( segid "    " and resid 103  and name HD21))
   (( segid "    " and resid 103  and name HA  ))
      6.000     4.500     0.000 peak  3020 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.991 ppm2      5.169 CV     1
 ASSI { 3022}
   (( segid "    " and resid 103  and name HD21))
   (( segid "    " and resid 103  and name HD22))
      6.000     4.500     0.000 peak  3022 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.984 ppm2      7.570 CV     1
 ASSI { 3025}
   (( segid "    " and resid 103  and name HD21))
   (( segid "    " and resid 135  and name HA  ))
      6.000     4.500     0.000 peak  3025 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.983 ppm2      3.832 CV     1
 ASSI { 3027}
   (( segid "    " and resid 103  and name HD21))
   (( segid "    " and resid 103  and name HB2 ))
      6.000     4.500     0.000 peak  3027 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.985 ppm2      2.660 CV     1
 ASSI { 3030}
   (( segid "    " and resid 145  and name HE22))
   (( segid "    " and resid 145  and name HG2 ))
      6.000     4.500     0.000 peak  3030 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.939 ppm2      2.468 CV     1
 OR { 3030}
   (( segid "    " and resid 145  and name HE22))
   (( segid "    " and resid 145  and name HG1 ))
 ASSI { 3031}
   (( segid "    " and resid 145  and name HE22))
   (( segid "    " and resid 145  and name HB2 ))
      6.000     4.500     0.000 peak  3031 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.932 ppm2      2.316 CV     1
 ASSI { 3036}
   (( segid "    " and resid 139  and name HN  ))
   (( segid "    " and resid 114  and name HB2 ))
      6.000     4.500     0.000 peak  3036 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.503 ppm2      2.818 CV     1
 ASSI { 3037}
   (( segid "    " and resid 139  and name HN  ))
   (( segid "    " and resid 138  and name HB1 ))
      6.000     4.500     0.000 peak  3037 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.498 ppm2      2.425 CV     1
 ASSI { 3038}
   (( segid "    " and resid 139  and name HN  ))
   (( segid "    " and resid 138  and name HG2 ))
      6.000     4.500     0.000 peak  3038 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.499 ppm2      2.006 CV     1
 OR { 3038}
   (( segid "    " and resid 139  and name HN  ))
   (( segid "    " and resid 138  and name HG1 ))
 ASSI { 3039}
   (( segid "    " and resid 139  and name HN  ))
   (( segid "    " and resid 138  and name HB2 ))
      6.000     4.500     0.000 peak  3039 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.499 ppm2      1.849 CV     1
 ASSI { 3040}
   (( segid "    " and resid 139  and name HN  ))
   (( segid "    " and resid 146  and name HB  ))
      6.000     4.500     0.000 peak  3040 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.501 ppm2      1.803 CV     1
 ASSI { 3044}
   (( segid "    " and resid 139  and name HN  ))
   (  segid "    " and resid 136  and name HG2%)
      6.000     4.500     0.000 peak  3044 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.495 ppm2      1.020 CV     1
 OR { 3044}
   (( segid "    " and resid 139  and name HN  ))
   (  segid "    " and resid 136  and name HG1%)
 ASSI { 3075}
   (( segid "    " and resid 139  and name HN  ))
   (( segid "    " and resid 140  and name HA2 ))
      6.000     4.500     0.000 peak  3075 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.497 ppm2      4.380 CV     1
 ASSI { 3078}
   (( segid "    " and resid 139  and name HN  ))
   (( segid "    " and resid 140  and name HA1 ))
      6.000     4.500     0.000 peak  3078 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.497 ppm2      3.512 CV     1
 ASSI { 3082}
   (( segid "    " and resid 139  and name HN  ))
   (  segid "    " and resid 146  and name HD1%)
      6.000     4.500     0.000 peak  3082 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.502 ppm2      0.494 CV     1
 ASSI { 3083}
   (( segid "    " and resid 139  and name HN  ))
   (( segid "    " and resid 140  and name HN  ))
      6.000     4.500     0.000 peak  3083 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.496 ppm2      8.363 CV     1
 ASSI { 3088}
   (( segid "    " and resid 139  and name HN  ))
   (( segid "    " and resid 138  and name HD2 ))
      6.000     4.500     0.000 peak  3088 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.496 ppm2      4.021 CV     1
 OR { 3088}
   (( segid "    " and resid 139  and name HN  ))
   (( segid "    " and resid 138  and name HD1 ))
 ASSI { 3089}
   (( segid "    " and resid 139  and name HN  ))
   (( segid "    " and resid 137  and name HB2 ))
      6.000     4.500     0.000 peak  3089 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.496 ppm2      3.365 CV     1
 ASSI { 3090}
   (( segid "    " and resid 139  and name HN  ))
   (( segid "    " and resid 139  and name HB1 ))
      6.000     4.500     0.000 peak  3090 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.494 ppm2      3.027 CV     1
 ASSI { 3091}
   (( segid "    " and resid 139  and name HN  ))
   (( segid "    " and resid 139  and name HB2 ))
      6.000     4.500     0.000 peak  3091 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.494 ppm2      2.582 CV     1
 ASSI { 3106}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 36   and name HA  ))
      6.000     4.500     0.000 peak  3106 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.368 ppm2      4.808 CV     1
 ASSI { 3112}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 35   and name HA  ))
      6.000     4.500     0.000 peak  3112 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.361 ppm2      4.601 CV     1
 ASSI { 3113}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 34   and name HA  ))
      6.000     4.500     0.000 peak  3113 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.364 ppm2      4.510 CV     1
 ASSI { 3115}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 35   and name HB  ))
      6.000     4.500     0.000 peak  3115 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.362 ppm2      4.101 CV     1
 ASSI { 3117}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 33   and name HA  ))
      6.000     4.500     0.000 peak  3117 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.361 ppm2      3.869 CV     1
 ASSI { 3119}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 34   and name HB1 ))
      6.000     4.500     0.000 peak  3119 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.362 ppm2      1.634 CV     1
 ASSI { 3120}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 34   and name HB2 ))
      6.000     4.500     0.000 peak  3120 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.362 ppm2      1.526 CV     1
 ASSI { 3150}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 48   and name HE21))
      6.000     4.500     0.000 peak  3150 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.321 ppm2      6.886 CV     1
 ASSI { 3153}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 49   and name HA  ))
      6.000     4.500     0.000 peak  3153 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.324 ppm2      4.582 CV     1
 ASSI { 3154}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 45   and name HA  ))
      6.000     4.500     0.000 peak  3154 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.318 ppm2      4.433 CV     1
 ASSI { 3155}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 46   and name HA2 ))
      6.000     4.500     0.000 peak  3155 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.319 ppm2      4.266 CV     1
 ASSI { 3156}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 46   and name HA1 ))
      6.000     4.500     0.000 peak  3156 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.319 ppm2      3.865 CV     1
 ASSI { 3157}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 47   and name HD2 ))
      6.000     4.500     0.000 peak  3157 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.319 ppm2      3.696 CV     1
 OR { 3157}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 47   and name HD1 ))
 ASSI { 3160}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 47   and name HB2 ))
      6.000     4.500     0.000 peak  3160 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.317 ppm2      2.324 CV     1
 ASSI { 3161}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 44   and name HB2 ))
      6.000     4.500     0.000 peak  3161 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.321 ppm2      2.170 CV     1
 OR { 3161}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 44   and name HB1 ))
 ASSI { 3162}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 48   and name HB2 ))
      6.000     4.500     0.000 peak  3162 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.321 ppm2      1.971 CV     1
 ASSI { 3163}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 45   and name HB2 ))
      6.000     4.500     0.000 peak  3163 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.319 ppm2      1.579 CV     1
 OR { 3163}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 45   and name HB1 ))
 ASSI { 3164}
   (( segid "    " and resid 46   and name HN  ))
   (  segid "    " and resid 45   and name HD2%)
      6.000     4.500     0.000 peak  3164 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.317 ppm2      0.867 CV     1
 OR { 3164}
   (( segid "    " and resid 46   and name HN  ))
   (  segid "    " and resid 45   and name HD1%)
 ASSI { 3174}
   (( segid "    " and resid 120  and name HN  ))
   (( segid "    " and resid 120  and name HB2 ))
      6.000     4.500     0.000 peak  3174 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.499 ppm2      3.022 CV     1
 ASSI { 3175}
   (( segid "    " and resid 120  and name HN  ))
   (( segid "    " and resid 120  and name HB1 ))
      6.000     4.500     0.000 peak  3175 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.507 ppm2      2.542 CV     1
 ASSI { 3176}
   (( segid "    " and resid 120  and name HN  ))
   (( segid "    " and resid 118  and name HG2 ))
      6.000     4.500     0.000 peak  3176 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.505 ppm2      2.157 CV     1
 ASSI { 3177}
   (( segid "    " and resid 120  and name HN  ))
   (( segid "    " and resid 119  and name HB2 ))
      6.000     4.500     0.000 peak  3177 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.502 ppm2      1.646 CV     1
 ASSI { 3178}
   (( segid "    " and resid 120  and name HN  ))
   (( segid "    " and resid 119  and name HB1 ))
      6.000     4.500     0.000 peak  3178 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.502 ppm2      1.475 CV     1
 OR { 3178}
   (( segid "    " and resid 120  and name HN  ))
   (( segid "    " and resid 119  and name HE2 ))
 ASSI { 3179}
   (( segid "    " and resid 120  and name HN  ))
   (( segid "    " and resid 121  and name HG1 ))
      6.000     4.500     0.000 peak  3179 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.502 ppm2      1.362 CV     1
 ASSI { 3180}
   (( segid "    " and resid 120  and name HN  ))
   (( segid "    " and resid 119  and name HG2 ))
      6.000     4.500     0.000 peak  3180 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.502 ppm2      1.231 CV     1
 ASSI { 3184}
   (( segid "    " and resid 120  and name HN  ))
   (( segid "    " and resid 119  and name HG1 ))
      6.000     4.500     0.000 peak  3184 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.505 ppm2      0.485 CV     1
 ASSI { 3185}
   (( segid "    " and resid 120  and name HN  ))
   (( segid "    " and resid 125  and name HG  ))
      6.000     4.500     0.000 peak  3185 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.498 ppm2      0.344 CV     1
 ASSI { 3186}
   (( segid "    " and resid 120  and name HN  ))
   (( segid "    " and resid 121  and name HB2 ))
      6.000     4.500     0.000 peak  3186 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.506 ppm2     -0.363 CV     1
 ASSI { 3193}
   (( segid "    " and resid 19   and name HD21))
   (( segid "    " and resid 22   and name HB2 ))
      6.000     4.500     0.000 peak  3193 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.385 ppm2      2.069 CV     1
 ASSI { 3198}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 63   and name HN  ))
      6.000     4.500     0.000 peak  3198 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.283 ppm2      8.241 CV     1
 ASSI { 3199}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 31   and name HA  ))
      6.000     4.500     0.000 peak  3199 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.283 ppm2      5.918 CV     1
 ASSI { 3200}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 62   and name HA  ))
      6.000     4.500     0.000 peak  3200 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.282 ppm2      5.495 CV     1
 ASSI { 3203}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 29   and name HA  ))
      6.000     4.500     0.000 peak  3203 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.281 ppm2      4.326 CV     1
 ASSI { 3204}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 30   and name HA  ))
      6.000     4.500     0.000 peak  3204 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.282 ppm2      3.906 CV     1
 ASSI { 3205}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 31   and name HB2 ))
      6.000     4.500     0.000 peak  3205 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.282 ppm2      3.584 CV     1
 OR { 3205}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 31   and name HB1 ))
 ASSI { 3206}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 32   and name HB1 ))
      6.000     4.500     0.000 peak  3206 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.283 ppm2      3.127 CV     1
 ASSI { 3207}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 29   and name HD1 ))
      6.000     4.500     0.000 peak  3207 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.283 ppm2      2.742 CV     1
 ASSI { 3209}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 30   and name HG1 ))
      6.000     4.500     0.000 peak  3209 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.282 ppm2      2.101 CV     1
 ASSI { 3210}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 28   and name HG11))
      6.000     4.500     0.000 peak  3210 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.282 ppm2      2.035 CV     1
 OR { 3210}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 28   and name HG12))
 ASSI { 3211}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 64   and name HB1 ))
      6.000     4.500     0.000 peak  3211 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.286 ppm2      1.731 CV     1
 ASSI { 3212}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 28   and name HB  ))
      6.000     4.500     0.000 peak  3212 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.281 ppm2      1.513 CV     1
 ASSI { 3216}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 64   and name HG  ))
      6.000     4.500     0.000 peak  3216 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.284 ppm2      0.733 CV     1
 OR { 3216}
   (( segid "    " and resid 31   and name HN  ))
   (  segid "    " and resid 64   and name HD1%)
 OR { 3216}
   (( segid "    " and resid 31   and name HN  ))
   (  segid "    " and resid 64   and name HD2%)
 ASSI { 3221}
   (( segid "    " and resid 19   and name HD22))
   (( segid "    " and resid 19   and name HA  ))
      6.000     4.500     0.000 peak  3221 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.841 ppm2      4.561 CV     1
 ASSI { 3228}
   (( segid "    " and resid 17   and name HE22))
   (( segid "    " and resid 17   and name HE21))
      6.000     4.500     0.000 peak  3228 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.772 ppm2      6.830 CV     1
 ASSI { 3234}
   (( segid "    " and resid 17   and name HE22))
   (  segid "    " and resid 20   and name HB% )
      6.000     4.500     0.000 peak  3234 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.770 ppm2      1.531 CV     1
 ASSI { 3239}
   (( segid "    " and resid 120  and name HN  ))
   (( segid "    " and resid 118  and name HG1 ))
      6.000     4.500     0.000 peak  3239 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.490 ppm2      3.284 CV     1
 ASSI { 3243}
   (( segid "    " and resid 17   and name HE22))
   (( segid "    " and resid 80   and name HA  ))
      6.000     6.000     0.000 peak  3243 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.764 ppm2      4.635 CV     1
 ASSI { 3244}
   (( segid "    " and resid 17   and name HE22))
   (( segid "    " and resid 81   and name HA1 ))
      6.000     4.500     0.000 peak  3244 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.769 ppm2      4.128 CV     1
 OR { 3244}
   (( segid "    " and resid 17   and name HE22))
   (( segid "    " and resid 81   and name HA2 ))
 ASSI { 3283}
   (( segid "    " and resid 140  and name HN  ))
   (( segid "    " and resid 142  and name HA  ))
      6.000     4.500     0.000 peak  3283 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.374 ppm2      4.810 CV     1
 ASSI { 3284}
   (( segid "    " and resid 140  and name HN  ))
   (( segid "    " and resid 137  and name HN  ))
      6.000     4.500     0.000 peak  3284 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.363 ppm2      9.223 CV     1
 ASSI { 3290}
   (( segid "    " and resid 140  and name HN  ))
   (( segid "    " and resid 140  and name HA2 ))
      6.000     4.500     0.000 peak  3290 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.366 ppm2      4.402 CV     1
 ASSI { 3291}
   (( segid "    " and resid 140  and name HN  ))
   (( segid "    " and resid 140  and name HA1 ))
      6.000     4.500     0.000 peak  3291 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.365 ppm2      3.517 CV     1
 ASSI { 3293}
   (( segid "    " and resid 140  and name HN  ))
   (( segid "    " and resid 139  and name HB1 ))
      6.000     4.500     0.000 peak  3293 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.366 ppm2      3.042 CV     1
 ASSI { 3294}
   (( segid "    " and resid 140  and name HN  ))
   (( segid "    " and resid 139  and name HB2 ))
      6.000     4.500     0.000 peak  3294 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.367 ppm2      2.617 CV     1
 ASSI { 3295}
   (( segid "    " and resid 140  and name HN  ))
   (( segid "    " and resid 138  and name HB1 ))
      6.000     4.500     0.000 peak  3295 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.364 ppm2      2.403 CV     1
 ASSI { 3296}
   (( segid "    " and resid 140  and name HN  ))
   (( segid "    " and resid 141  and name HG1 ))
      6.000     4.500     0.000 peak  3296 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.364 ppm2      2.292 CV     1
 ASSI { 3297}
   (( segid "    " and resid 140  and name HN  ))
   (( segid "    " and resid 141  and name HG2 ))
      6.000     4.500     0.000 peak  3297 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.364 ppm2      2.050 CV     1
 ASSI { 3299}
   (( segid "    " and resid 140  and name HN  ))
   (( segid "    " and resid 146  and name HB  ))
      6.000     4.500     0.000 peak  3299 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.363 ppm2      1.806 CV     1
 ASSI { 3300}
   (( segid "    " and resid 140  and name HN  ))
   (  segid "    " and resid 136  and name HG2%)
      6.000     4.500     0.000 peak  3300 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.366 ppm2      1.017 CV     1
 OR { 3300}
   (( segid "    " and resid 140  and name HN  ))
   (  segid "    " and resid 136  and name HG1%)
 ASSI { 3315}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 79   and name HN  ))
      6.000     4.500     0.000 peak  3315 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.604 ppm2      8.598 CV     1
 ASSI { 3317}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 80   and name HA  ))
      6.000     4.500     0.000 peak  3317 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.603 ppm2      4.595 CV     1
 ASSI { 3318}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 81   and name HA1 ))
      6.000     4.500     0.000 peak  3318 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.604 ppm2      4.152 CV     1
 OR { 3318}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 81   and name HA2 ))
 ASSI { 3319}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 77   and name HA  ))
      6.000     4.500     0.000 peak  3319 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.606 ppm2      3.680 CV     1
 ASSI { 3320}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 77   and name HB1 ))
      6.000     4.500     0.000 peak  3320 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.605 ppm2      1.848 CV     1
 ASSI { 3321}
   (( segid "    " and resid 81   and name HN  ))
   (  segid "    " and resid 20   and name HB% )
      6.000     4.500     0.000 peak  3321 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.605 ppm2      1.565 CV     1
 ASSI { 3324}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 87   and name HN  ))
      6.000     4.500     0.000 peak  3324 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.600 ppm2      8.430 CV     1
 ASSI { 3326}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 80   and name HB1 ))
      6.000     4.500     0.000 peak  3326 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.604 ppm2      2.319 CV     1
 OR { 3326}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 80   and name HB2 ))
 ASSI { 3327}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 94   and name HB1 ))
      6.000     4.500     0.000 peak  3327 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.596 ppm2      1.693 CV     1
 ASSI { 3328}
   (( segid "    " and resid 131  and name HN  ))
   (( segid "    " and resid 35   and name HB  ))
      6.000     4.500     0.000 peak  3328 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.919 ppm2      4.097 CV     1
 ASSI { 3329}
   (( segid "    " and resid 131  and name HN  ))
   (( segid "    " and resid 128  and name HB1 ))
      6.000     4.500     0.000 peak  3329 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.918 ppm2      2.002 CV     1
 ASSI { 3330}
   (( segid "    " and resid 131  and name HN  ))
   (( segid "    " and resid 127  and name HB2 ))
      6.000     4.500     0.000 peak  3330 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.918 ppm2      1.953 CV     1
 ASSI { 3332}
   (( segid "    " and resid 131  and name HN  ))
   (( segid "    " and resid 37   and name HN  ))
      6.000     4.500     0.000 peak  3332 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.929 ppm2      9.226 CV     1
 ASSI { 3339}
   (( segid "    " and resid 131  and name HN  ))
   (( segid "    " and resid 131  and name HA  ))
      6.000     4.500     0.000 peak  3339 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.917 ppm2      4.479 CV     1
 ASSI { 3340}
   (( segid "    " and resid 131  and name HN  ))
   (( segid "    " and resid 128  and name HA  ))
      6.000     4.500     0.000 peak  3340 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.915 ppm2      3.846 CV     1
 ASSI { 3341}
   (( segid "    " and resid 131  and name HN  ))
   (( segid "    " and resid 133  and name HD1 ))
      6.000     4.500     0.000 peak  3341 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.912 ppm2      3.104 CV     1
 ASSI { 3342}
   (( segid "    " and resid 131  and name HN  ))
   (( segid "    " and resid 130  and name HB2 ))
      6.000     4.500     0.000 peak  3342 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.918 ppm2      2.612 CV     1
 ASSI { 3343}
   (( segid "    " and resid 131  and name HN  ))
   (( segid "    " and resid 130  and name HB1 ))
      6.000     4.500     0.000 peak  3343 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.917 ppm2      2.290 CV     1
 OR { 3343}
   (( segid "    " and resid 131  and name HN  ))
   (( segid "    " and resid 130  and name HG2 ))
 ASSI { 3344}
   (( segid "    " and resid 131  and name HN  ))
   (( segid "    " and resid 131  and name HB  ))
      6.000     4.500     0.000 peak  3344 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.917 ppm2      2.133 CV     1
 ASSI { 3345}
   (( segid "    " and resid 131  and name HN  ))
   (( segid "    " and resid 131  and name HG11))
      6.000     4.500     0.000 peak  3345 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.915 ppm2      1.607 CV     1
 ASSI { 3346}
   (( segid "    " and resid 131  and name HN  ))
   (( segid "    " and resid 131  and name HG12))
      6.000     4.500     0.000 peak  3346 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.915 ppm2      1.487 CV     1
 ASSI { 3347}
   (( segid "    " and resid 131  and name HN  ))
   (  segid "    " and resid 57   and name HB% )
      6.000     4.500     0.000 peak  3347 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.917 ppm2      1.358 CV     1
 ASSI { 3349}
   (( segid "    " and resid 131  and name HN  ))
   (  segid "    " and resid 132  and name HB% )
      6.000     4.500     0.000 peak  3349 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.915 ppm2      0.992 CV     1
 ASSI { 3351}
   (( segid "    " and resid 131  and name HN  ))
   (( segid "    " and resid 128  and name HG  ))
      6.000     4.500     0.000 peak  3351 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.914 ppm2      0.280 CV     1
 ASSI { 3353}
   (( segid "    " and resid 131  and name HN  ))
   (( segid "    " and resid 133  and name HG1 ))
      6.000     4.500     0.000 peak  3353 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.907 ppm2      1.817 CV     1
 OR { 3353}
   (( segid "    " and resid 131  and name HN  ))
   (( segid "    " and resid 133  and name HG2 ))
 ASSI { 3358}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 33   and name HN  ))
      6.000     4.500     0.000 peak  3358 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.588 ppm2      9.170 CV     1
 ASSI { 3360}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 23   and name HN  ))
      6.000     4.500     0.000 peak  3360 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.582 ppm2      7.725 CV     1
 ASSI { 3366}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 24   and name HA  ))
      6.000     4.500     0.000 peak  3366 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.584 ppm2      4.176 CV     1
 ASSI { 3369}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 27   and name HB2 ))
      6.000     4.500     0.000 peak  3369 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.582 ppm2      2.579 CV     1
 ASSI { 3370}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 25   and name HB1 ))
      6.000     4.500     0.000 peak  3370 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.580 ppm2      2.126 CV     1
 ASSI { 3372}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 60   and name HB1 ))
      6.000     6.000     0.000 peak  3372 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.576 ppm2      1.800 CV     1
 ASSI { 3375}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 25   and name HB2 ))
      6.000     4.500     0.000 peak  3375 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.579 ppm2      1.235 CV     1
 ASSI { 3380}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 27   and name HB1 ))
      6.000     4.500     0.000 peak  3380 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.584 ppm2      2.899 CV     1
 ASSI {    1}
   (( segid "    " and resid 108  and name HB  ))
   (  segid "    " and resid 108  and name HG2%)
      6.000     4.500     0.000 peak     1 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.640 ppm2      1.201 CV     1
 ASSI {    1}
   (( segid "    " and resid 112  and name HB  ))
   (( segid "    " and resid 116  and name HN  ))
      6.000     4.500     0.000 peak     1 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.351 ppm2      8.357 CV     1
 ASSI {    2}
   (( segid "    " and resid 112  and name HB  ))
   (  segid "    " and resid 112  and name HG2%)
      6.000     4.500     0.000 peak     2 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.347 ppm2      1.433 CV     1
 ASSI {    8}
   (( segid "    " and resid 62   and name HB  ))
   (( segid "    " and resid 62   and name HA  ))
      6.000     4.500     0.000 peak     8 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.805 ppm2      5.503 CV     1
 ASSI {    9}
   (( segid "    " and resid 62   and name HB  ))
   (( segid "    " and resid 64   and name HB2 ))
      6.000     4.500     0.000 peak     9 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.801 ppm2      1.479 CV     1
 ASSI {   11}
   (( segid "    " and resid 62   and name HB  ))
   (  segid "    " and resid 62   and name HG2%)
      6.000     4.500     0.000 peak    11 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.804 ppm2      1.091 CV     1
 ASSI {   12}
   (( segid "    " and resid 62   and name HB  ))
   (  segid "    " and resid 69   and name HD1%)
      6.000     4.500     0.000 peak    12 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.801 ppm2      0.947 CV     1
 OR {   12}
   (( segid "    " and resid 62   and name HB  ))
   (  segid "    " and resid 69   and name HD2%)
 ASSI {   14}
   (( segid "    " and resid 62   and name HB  ))
   (( segid "    " and resid 31   and name HB1 ))
      6.000     4.500     0.000 peak    14 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.796 ppm2      3.596 CV     1
 OR {   14}
   (( segid "    " and resid 62   and name HB  ))
   (( segid "    " and resid 31   and name HB2 ))
 ASSI {   16}
   (( segid "    " and resid 42   and name HB  ))
   (( segid "    " and resid 43   and name HD2 ))
      6.000     4.500     0.000 peak    16 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.152 ppm2      3.831 CV     1
 OR {   16}
   (( segid "    " and resid 42   and name HB  ))
   (( segid "    " and resid 43   and name HD1 ))
 ASSI {   18}
   (( segid "    " and resid 42   and name HB  ))
   (( segid "    " and resid 42   and name HN  ))
      6.000     4.500     0.000 peak    18 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.145 ppm2      9.605 CV     1
 ASSI {   19}
   (( segid "    " and resid 42   and name HB  ))
   (( segid "    " and resid 40   and name HB2 ))
      6.000     4.500     0.000 peak    19 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.146 ppm2      2.845 CV     1
 ASSI {   23}
   (( segid "    " and resid 35   and name HB  ))
   (( segid "    " and resid 35   and name HA  ))
      6.000     4.500     0.000 peak    23 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.104 ppm2      4.593 CV     1
 ASSI {   24}
   (( segid "    " and resid 35   and name HB  ))
   (( segid "    " and resid 131  and name HA  ))
      6.000     4.500     0.000 peak    24 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.103 ppm2      4.472 CV     1
 ASSI {   25}
   (( segid "    " and resid 35   and name HB  ))
   (( segid "    " and resid 128  and name HA  ))
      6.000     4.500     0.000 peak    25 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.108 ppm2      3.831 CV     1
 ASSI {   26}
   (( segid "    " and resid 35   and name HB  ))
   (( segid "    " and resid 131  and name HB  ))
      6.000     4.500     0.000 peak    26 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.101 ppm2      2.124 CV     1
 ASSI {   27}
   (( segid "    " and resid 35   and name HB  ))
   (( segid "    " and resid 131  and name HG11))
      6.000     4.500     0.000 peak    27 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.101 ppm2      1.620 CV     1
 ASSI {   28}
   (( segid "    " and resid 35   and name HB  ))
   (( segid "    " and resid 34   and name HB2 ))
      6.000     4.500     0.000 peak    28 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.100 ppm2      1.511 CV     1
 ASSI {   30}
   (( segid "    " and resid 35   and name HB  ))
   (  segid "    " and resid 35   and name HG2%)
      6.000     4.500     0.000 peak    30 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.102 ppm2      1.236 CV     1
 ASSI {   32}
   (( segid "    " and resid 35   and name HB  ))
   (  segid "    " and resid 33   and name HD1%)
      6.000     4.500     0.000 peak    32 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.100 ppm2      0.856 CV     1
 ASSI {   36}
   (( segid "    " and resid 149  and name HB  ))
   (( segid "    " and resid 150  and name HG1 ))
      6.000     4.500     0.000 peak    36 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.184 ppm2      1.414 CV     1
 ASSI {   37}
   (( segid "    " and resid 149  and name HB  ))
   (  segid "    " and resid 149  and name HG2%)
      6.000     4.500     0.000 peak    37 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.184 ppm2      1.259 CV     1
 ASSI {   40}
   (( segid "    " and resid 93   and name HB  ))
   (  segid "    " and resid 93   and name HG2%)
      6.000     4.500     0.000 peak    40 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.389 ppm2      1.164 CV     1
 ASSI {   41}
   (( segid "    " and resid 149  and name HB  ))
   (( segid "    " and resid 146  and name HA  ))
      6.000     4.500     0.000 peak    41 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.192 ppm2      3.640 CV     1
 ASSI {   45}
   (( segid "    " and resid 1    and name HB  ))
   (( segid "    " and resid 62   and name HN  ))
      6.000     4.500     0.000 peak    45 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.531 ppm2      9.200 CV     1
 ASSI {   46}
   (( segid "    " and resid 1    and name HB  ))
   (( segid "    " and resid 2    and name HN  ))
      6.000     4.500     0.000 peak    46 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.527 ppm2      8.749 CV     1
 ASSI {   48}
   (( segid "    " and resid 1    and name HB  ))
   (( segid "    " and resid 1    and name HG21))
      6.000     4.500     0.000 peak    48 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.525 ppm2      0.512 CV     1
 ASSI {   49}
   (( segid "    " and resid 1    and name HB  ))
   (  segid "    " and resid 62   and name HG2%)
      6.000     4.500     0.000 peak    49 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.523 ppm2      1.088 CV     1
 ASSI {   52}
   (( segid "    " and resid 31   and name HB1 ))
   (( segid "    " and resid 31   and name HA  ))
      6.000     4.500     0.000 peak    52 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.577 ppm2      5.917 CV     1
 OR {   52}
   (( segid "    " and resid 31   and name HB2 ))
   (( segid "    " and resid 31   and name HA  ))
 ASSI {   53}
   (( segid "    " and resid 31   and name HB2 ))
   (( segid "    " and resid 28   and name HB  ))
      6.000     4.500     0.000 peak    53 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.575 ppm2      1.526 CV     1
 OR {   53}
   (( segid "    " and resid 31   and name HB1 ))
   (( segid "    " and resid 28   and name HB  ))
 ASSI {   54}
   (( segid "    " and resid 31   and name HB1 ))
   (( segid "    " and resid 60   and name HG  ))
      6.000     4.500     0.000 peak    54 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.572 ppm2      1.266 CV     1
 OR {   54}
   (( segid "    " and resid 31   and name HB2 ))
   (( segid "    " and resid 60   and name HG  ))
 ASSI {   55}
   (( segid "    " and resid 31   and name HB1 ))
   (  segid "    " and resid 60   and name HD2%)
      6.000     4.500     0.000 peak    55 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.575 ppm2      0.669 CV     1
 OR {   55}
   (( segid "    " and resid 31   and name HB2 ))
   (  segid "    " and resid 60   and name HD2%)
 ASSI {   61}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 18   and name HB  ))
      6.000     4.500     0.000 peak    61 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.324 ppm2      1.580 CV     1
 ASSI {   63}
   (( segid "    " and resid 18   and name HA  ))
   (  segid "    " and resid 18   and name HG2%)
      6.000     4.500     0.000 peak    63 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.323 ppm2      0.648 CV     1
 ASSI {   64}
   (( segid "    " and resid 18   and name HA  ))
   (  segid "    " and resid 18   and name HG1%)
      6.000     4.500     0.000 peak    64 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.326 ppm2      0.287 CV     1
 ASSI {   67}
   (( segid "    " and resid 73   and name HB  ))
   (  segid "    " and resid 94   and name HD2%)
      6.000     4.500     0.000 peak    67 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.918 ppm2      0.730 CV     1
 OR {   67}
   (( segid "    " and resid 73   and name HB  ))
   (  segid "    " and resid 94   and name HD1%)
 ASSI {   70}
   (( segid "    " and resid 73   and name HB  ))
   (( segid "    " and resid 73   and name HA  ))
      6.000     4.500     0.000 peak    70 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.908 ppm2      4.243 CV     1
 ASSI {   72}
   (( segid "    " and resid 73   and name HB  ))
   (  segid "    " and resid 73   and name HG2%)
      6.000     4.500     0.000 peak    72 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.912 ppm2      1.043 CV     1
 ASSI {   75}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 94   and name HG  ))
      6.000     4.500     0.000 peak    75 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.325 ppm2      0.788 CV     1
 ASSI {   78}
   (( segid "    " and resid 73   and name HA  ))
   (  segid "    " and resid 73   and name HG2%)
      6.000     4.500     0.000 peak    78 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.240 ppm2      1.042 CV     1
 ASSI {   79}
   (( segid "    " and resid 73   and name HA  ))
   (  segid "    " and resid 96   and name HD2%)
      6.000     4.500     0.000 peak    79 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.237 ppm2      0.948 CV     1
 OR {   79}
   (( segid "    " and resid 73   and name HA  ))
   (  segid "    " and resid 96   and name HD1%)
 OR {   79}
   (( segid "    " and resid 73   and name HA  ))
   (( segid "    " and resid 96   and name HB2 ))
 ASSI {   82}
   (( segid "    " and resid 66   and name HA  ))
   (( segid "    " and resid 67   and name HN  ))
      6.000     4.500     0.000 peak    82 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.344 ppm2      8.729 CV     1
 ASSI {   84}
   (( segid "    " and resid 66   and name HA  ))
   (( segid "    " and resid 72   and name HD2 ))
      6.000     4.500     0.000 peak    84 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.345 ppm2      7.216 CV     1
 ASSI {   86}
   (( segid "    " and resid 66   and name HA  ))
   (( segid "    " and resid 69   and name HB1 ))
      6.000     4.500     0.000 peak    86 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.342 ppm2      2.194 CV     1
 ASSI {   88}
   (( segid "    " and resid 66   and name HA  ))
   (( segid "    " and resid 66   and name HB2 ))
      6.000     4.500     0.000 peak    88 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.343 ppm2      1.258 CV     1
 ASSI {   89}
   (( segid "    " and resid 66   and name HA  ))
   (( segid "    " and resid 69   and name HG  ))
      6.000     4.500     0.000 peak    89 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.344 ppm2      0.997 CV     1
 ASSI {   90}
   (( segid "    " and resid 66   and name HA  ))
   (( segid "    " and resid 66   and name HB1 ))
      6.000     4.500     0.000 peak    90 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.344 ppm2      0.520 CV     1
 ASSI {   96}
   (( segid "    " and resid 66   and name HA  ))
   (  segid "    " and resid 65   and name HB% )
      6.000     4.500     0.000 peak    96 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.338 ppm2      1.413 CV     1
 ASSI {  100}
   (( segid "    " and resid 138  and name HA  ))
   (( segid "    " and resid 138  and name HB1 ))
      6.000     4.500     0.000 peak   100 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.482 ppm2      2.396 CV     1
 ASSI {  103}
   (( segid "    " and resid 127  and name HA  ))
   (( segid "    " and resid 126  and name HD1 ))
      6.000     4.500     0.000 peak   103 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.442 ppm2      6.792 CV     1
 ASSI {  104}
   (( segid "    " and resid 127  and name HA  ))
   (( segid "    " and resid 127  and name HB1 ))
      6.000     4.500     0.000 peak   104 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.442 ppm2      2.609 CV     1
 ASSI {  105}
   (( segid "    " and resid 127  and name HA  ))
   (( segid "    " and resid 127  and name HG1 ))
      6.000     4.500     0.000 peak   105 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.442 ppm2      1.447 CV     1
 ASSI {  115}
   (( segid "    " and resid 76   and name HA  ))
   (  segid "    " and resid 76   and name HG2%)
      6.000     4.500     0.000 peak   115 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.747 ppm2      0.864 CV     1
 ASSI {  119}
   (( segid "    " and resid 9    and name HB1 ))
   (( segid "    " and resid 9    and name HB2 ))
      6.000     4.500     0.000 peak   119 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.673 ppm2      3.164 CV     1
 ASSI {  120}
   (( segid "    " and resid 9    and name HB2 ))
   (( segid "    " and resid 94   and name HG  ))
      6.000     4.500     0.000 peak   120 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.188 ppm2      0.773 CV     1
 ASSI {  123}
   (( segid "    " and resid 9    and name HB2 ))
   (( segid "    " and resid 11   and name HB2 ))
      6.000     6.000     0.000 peak   123 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.180 ppm2      1.268 CV     1
 OR {  123}
   (( segid "    " and resid 9    and name HB2 ))
   (( segid "    " and resid 11   and name HB1 ))
 ASSI {  127}
   (( segid "    " and resid 9    and name HB2 ))
   (  segid "    " and resid 18   and name HG2%)
      6.000     4.500     0.000 peak   127 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.171 ppm2      0.650 CV     1
 ASSI {  132}
   (( segid "    " and resid 138  and name HA  ))
   (( segid "    " and resid 138  and name HB2 ))
      6.000     4.500     0.000 peak   132 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.481 ppm2      1.831 CV     1
 ASSI {  134}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 76   and name HB  ))
      6.000     4.500     0.000 peak   134 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.759 ppm2      1.884 CV     1
 ASSI {  137}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 79   and name HG1 ))
      6.000     4.500     0.000 peak   137 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.748 ppm2      2.471 CV     1
 ASSI {  138}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 76   and name HG12))
      6.000     4.500     0.000 peak   138 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.752 ppm2      2.095 CV     1
 OR {  138}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 76   and name HG11))
 ASSI {  142}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 77   and name HN  ))
      6.000     4.500     0.000 peak   142 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.743 ppm2      8.295 CV     1
 ASSI {  144}
   (( segid "    " and resid 146  and name HA  ))
   (( segid "    " and resid 149  and name HN  ))
      6.000     4.500     0.000 peak   144 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.644 ppm2      8.277 CV     1
 ASSI {  146}
   (( segid "    " and resid 146  and name HA  ))
   (( segid "    " and resid 147  and name HN  ))
      6.000     4.500     0.000 peak   146 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.636 ppm2      7.426 CV     1
 ASSI {  149}
   (( segid "    " and resid 146  and name HA  ))
   (( segid "    " and resid 146  and name HG11))
      6.000     4.500     0.000 peak   149 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.634 ppm2      1.589 CV     1
 ASSI {  150}
   (( segid "    " and resid 146  and name HA  ))
   (( segid "    " and resid 146  and name HG12))
      6.000     4.500     0.000 peak   150 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.634 ppm2      0.965 CV     1
 ASSI {  151}
   (( segid "    " and resid 146  and name HA  ))
   (  segid "    " and resid 146  and name HG2%)
      6.000     4.500     0.000 peak   151 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.636 ppm2      0.750 CV     1
 ASSI {  156}
   (( segid "    " and resid 146  and name HA  ))
   (( segid "    " and resid 146  and name HB  ))
      6.000     4.500     0.000 peak   156 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.635 ppm2      1.797 CV     1
 ASSI {  158}
   (( segid "    " and resid 146  and name HA  ))
   (  segid "    " and resid 146  and name HD1%)
      6.000     4.500     0.000 peak   158 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.634 ppm2      0.476 CV     1
 ASSI {  161}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 15   and name HB1 ))
      6.000     4.500     0.000 peak   161 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.298 ppm2      1.458 CV     1
 ASSI {  162}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 11   and name HB2 ))
      6.000     4.500     0.000 peak   162 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.298 ppm2      1.271 CV     1
 OR {  162}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 11   and name HB1 ))
 ASSI {  168}
   (( segid "    " and resid 133  and name HA  ))
   (( segid "    " and resid 133  and name HD2 ))
      6.000     4.500     0.000 peak   168 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.138 ppm2      3.388 CV     1
 ASSI {  169}
   (( segid "    " and resid 133  and name HA  ))
   (( segid "    " and resid 133  and name HD1 ))
      6.000     4.500     0.000 peak   169 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.137 ppm2      3.116 CV     1
 ASSI {  171}
   (( segid "    " and resid 133  and name HA  ))
   (( segid "    " and resid 133  and name HB1 ))
      6.000     4.500     0.000 peak   171 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.140 ppm2      1.591 CV     1
 ASSI {  172}
   (( segid "    " and resid 133  and name HA  ))
   (( segid "    " and resid 133  and name HB2 ))
      6.000     4.500     0.000 peak   172 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.137 ppm2      1.495 CV     1
 ASSI {  174}
   (( segid "    " and resid 133  and name HA  ))
   (  segid "    " and resid 129  and name HD% )
      6.000     4.500     0.000 peak   174 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.135 ppm2      7.210 CV     1
 ASSI {  175}
   (( segid "    " and resid 133  and name HA  ))
   (( segid "    " and resid 129  and name HA  ))
      6.000     4.500     0.000 peak   175 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.135 ppm2      3.876 CV     1
 ASSI {  178}
   (( segid "    " and resid 149  and name HA  ))
   (( segid "    " and resid 149  and name HN  ))
      6.000     4.500     0.000 peak   178 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.031 ppm2      8.289 CV     1
 ASSI {  179}
   (( segid "    " and resid 149  and name HA  ))
   (( segid "    " and resid 150  and name HN  ))
      6.000     4.500     0.000 peak   179 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.028 ppm2      7.845 CV     1
 ASSI {  186}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 11   and name HG  ))
      6.000     4.500     0.000 peak   186 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.304 ppm2      0.893 CV     1
 ASSI {  189}
   (( segid "    " and resid 149  and name HA  ))
   (  segid "    " and resid 149  and name HG2%)
      6.000     4.500     0.000 peak   189 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.031 ppm2      1.258 CV     1
 ASSI {  195}
   (( segid "    " and resid 47   and name HA  ))
   (( segid "    " and resid 47   and name HD1 ))
      6.000     4.500     0.000 peak   195 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.426 ppm2      3.681 CV     1
 OR {  195}
   (( segid "    " and resid 47   and name HA  ))
   (( segid "    " and resid 47   and name HD2 ))
 ASSI {  196}
   (( segid "    " and resid 47   and name HA  ))
   (( segid "    " and resid 47   and name HG1 ))
      6.000     4.500     0.000 peak   196 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.423 ppm2      2.021 CV     1
 OR {  196}
   (( segid "    " and resid 47   and name HA  ))
   (( segid "    " and resid 47   and name HG2 ))
 ASSI {  198}
   (( segid "    " and resid 47   and name HA  ))
   (( segid "    " and resid 47   and name HB2 ))
      6.000     4.500     0.000 peak   198 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.422 ppm2      2.310 CV     1
 ASSI {  202}
   (( segid "    " and resid 63   and name HB2 ))
   (( segid "    " and resid 62   and name HA  ))
      6.000     4.500     0.000 peak   202 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.068 ppm2      5.497 CV     1
 OR {  202}
   (( segid "    " and resid 63   and name HB1 ))
   (( segid "    " and resid 62   and name HA  ))
 ASSI {  203}
   (( segid "    " and resid 63   and name HB2 ))
   (( segid "    " and resid 63   and name HA  ))
      6.000     4.500     0.000 peak   203 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.039 ppm2      4.961 CV     1
 OR {  203}
   (( segid "    " and resid 63   and name HB1 ))
   (( segid "    " and resid 63   and name HA  ))
 ASSI {  204}
   (( segid "    " and resid 63   and name HB1 ))
   (( segid "    " and resid 30   and name HG1 ))
      6.000     4.500     0.000 peak   204 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.039 ppm2      2.112 CV     1
 OR {  204}
   (( segid "    " and resid 63   and name HB2 ))
   (( segid "    " and resid 30   and name HG1 ))
 ASSI {  210}
   (( segid "    " and resid 29   and name HA  ))
   (( segid "    " and resid 30   and name HA  ))
      6.000     4.500     0.000 peak   210 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.311 ppm2      3.906 CV     1
 ASSI {  211}
   (( segid "    " and resid 29   and name HA  ))
   (( segid "    " and resid 29   and name HB2 ))
      6.000     4.500     0.000 peak   211 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.309 ppm2      2.377 CV     1
 ASSI {  212}
   (( segid "    " and resid 29   and name HA  ))
   (( segid "    " and resid 29   and name HG1 ))
      6.000     4.500     0.000 peak   212 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.311 ppm2      2.018 CV     1
 OR {  212}
   (( segid "    " and resid 29   and name HA  ))
   (( segid "    " and resid 29   and name HG2 ))
 ASSI {  213}
   (( segid "    " and resid 29   and name HA  ))
   (( segid "    " and resid 29   and name HB1 ))
      6.000     4.500     0.000 peak   213 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.308 ppm2      1.879 CV     1
 ASSI {  220}
   (( segid "    " and resid 98   and name HA  ))
   (( segid "    " and resid 98   and name HB  ))
      6.000     4.500     0.000 peak   220 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.178 ppm2      2.092 CV     1
 ASSI {  221}
   (( segid "    " and resid 98   and name HA  ))
   (( segid "    " and resid 98   and name HG12))
      6.000     4.500     0.000 peak   221 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.182 ppm2      1.870 CV     1
 ASSI {  222}
   (( segid "    " and resid 98   and name HA  ))
   (( segid "    " and resid 5    and name HG11))
      6.000     4.500     0.000 peak   222 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.177 ppm2      1.075 CV     1
 ASSI {  228}
   (( segid "    " and resid 33   and name HA  ))
   (  segid "    " and resid 60   and name HD2%)
      6.000     4.500     0.000 peak   228 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.869 ppm2      0.661 CV     1
 ASSI {  230}
   (( segid "    " and resid 112  and name HA  ))
   (( segid "    " and resid 107  and name HN  ))
      6.000     4.500     0.000 peak   230 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.211 ppm2      9.199 CV     1
 ASSI {  232}
   (( segid "    " and resid 112  and name HA  ))
   (( segid "    " and resid 113  and name HB  ))
      6.000     4.500     0.000 peak   232 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.212 ppm2      1.848 CV     1
 ASSI {  233}
   (( segid "    " and resid 112  and name HA  ))
   (  segid "    " and resid 112  and name HG2%)
      6.000     4.500     0.000 peak   233 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.211 ppm2      1.432 CV     1
 ASSI {  235}
   (( segid "    " and resid 112  and name HA  ))
   (  segid "    " and resid 113  and name HG1%)
      6.000     4.500     0.000 peak   235 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.213 ppm2      0.888 CV     1
 ASSI {  236}
   (( segid "    " and resid 112  and name HA  ))
   (( segid "    " and resid 112  and name HN  ))
      6.000     4.500     0.000 peak   236 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.203 ppm2      9.707 CV     1
 ASSI {  238}
   (( segid "    " and resid 2    and name HA  ))
   (  segid "    " and resid 62   and name HG2%)
      6.000     4.500     0.000 peak   238 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.215 ppm2      1.064 CV     1
 ASSI {  241}
   (( segid "    " and resid 2    and name HA  ))
   (  segid "    " and resid 3    and name HB% )
      6.000     4.500     0.000 peak   241 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.209 ppm2      1.209 CV     1
 ASSI {  242}
   (( segid "    " and resid 2    and name HA  ))
   (  segid "    " and resid 2    and name HG2%)
      6.000     4.500     0.000 peak   242 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.214 ppm2      0.769 CV     1
 ASSI {  243}
   (( segid "    " and resid 2    and name HA  ))
   (( segid "    " and resid 1    and name HG21))
      6.000     4.500     0.000 peak   243 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.212 ppm2      0.517 CV     1
 ASSI {  244}
   (( segid "    " and resid 2    and name HA  ))
   (  segid "    " and resid 2    and name HG1%)
      6.000     4.500     0.000 peak   244 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.213 ppm2      0.123 CV     1
 ASSI {  248}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 33   and name HB  ))
      6.000     4.500     0.000 peak   248 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.868 ppm2      1.763 CV     1
 ASSI {  249}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 33   and name HG12))
      6.000     4.500     0.000 peak   249 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.868 ppm2      1.560 CV     1
 OR {  249}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 33   and name HG11))
 ASSI {  250}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 60   and name HB2 ))
      6.000     4.500     0.000 peak   250 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.868 ppm2      0.984 CV     1
 ASSI {  251}
   (( segid "    " and resid 91   and name HA  ))
   (( segid "    " and resid 91   and name HB2 ))
      6.000     4.500     0.000 peak   251 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.574 ppm2      2.251 CV     1
 ASSI {  252}
   (( segid "    " and resid 91   and name HA  ))
   (( segid "    " and resid 47   and name HB1 ))
      6.000     4.500     0.000 peak   252 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.572 ppm2      1.920 CV     1
 ASSI {  255}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 44   and name HB1 ))
      6.000     4.500     0.000 peak   255 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.445 ppm2      2.189 CV     1
 OR {  255}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 44   and name HB2 ))
 ASSI {  260}
   (( segid "    " and resid 44   and name HA  ))
   (( segid "    " and resid 46   and name HN  ))
      6.000     4.500     0.000 peak   260 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.376 ppm2      8.326 CV     1
 ASSI {  261}
   (( segid "    " and resid 44   and name HA  ))
   (( segid "    " and resid 45   and name HN  ))
      6.000     4.500     0.000 peak   261 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.376 ppm2      8.188 CV     1
 ASSI {  262}
   (( segid "    " and resid 44   and name HA  ))
   (( segid "    " and resid 44   and name HB1 ))
      6.000     4.500     0.000 peak   262 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.376 ppm2      2.159 CV     1
 OR {  262}
   (( segid "    " and resid 44   and name HA  ))
   (( segid "    " and resid 44   and name HB2 ))
 ASSI {  266}
   (( segid "    " and resid 114  and name HA  ))
   (( segid "    " and resid 114  and name HD1 ))
      6.000     4.500     0.000 peak   266 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.428 ppm2      4.168 CV     1
 ASSI {  269}
   (( segid "    " and resid 114  and name HA  ))
   (( segid "    " and resid 114  and name HD2 ))
      6.000     4.500     0.000 peak   269 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.421 ppm2      3.650 CV     1
 ASSI {  270}
   (( segid "    " and resid 114  and name HA  ))
   (( segid "    " and resid 114  and name HB2 ))
      6.000     4.500     0.000 peak   270 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.425 ppm2      2.835 CV     1
 ASSI {  271}
   (( segid "    " and resid 114  and name HA  ))
   (( segid "    " and resid 114  and name HB1 ))
      6.000     4.500     0.000 peak   271 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.424 ppm2      2.061 CV     1
 ASSI {  273}
   (( segid "    " and resid 114  and name HA  ))
   (  segid "    " and resid 113  and name HG1%)
      6.000     4.500     0.000 peak   273 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.424 ppm2      0.861 CV     1
 ASSI {  274}
   (( segid "    " and resid 114  and name HA  ))
   (( segid "    " and resid 114  and name HG1 ))
      6.000     4.500     0.000 peak   274 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.411 ppm2      2.455 CV     1
 ASSI {  276}
   (( segid "    " and resid 93   and name HA  ))
   (  segid "    " and resid 93   and name HG2%)
      6.000     4.500     0.000 peak   276 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.416 ppm2      1.151 CV     1
 ASSI {  279}
   (( segid "    " and resid 44   and name HA  ))
   (( segid "    " and resid 44   and name HG2 ))
      6.000     4.500     0.000 peak   279 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.373 ppm2      1.941 CV     1
 ASSI {  280}
   (( segid "    " and resid 44   and name HA  ))
   (( segid "    " and resid 45   and name HB2 ))
      6.000     4.500     0.000 peak   280 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.376 ppm2      1.587 CV     1
 OR {  280}
   (( segid "    " and resid 44   and name HA  ))
   (( segid "    " and resid 45   and name HB1 ))
 ASSI {  291}
   (( segid "    " and resid 158  and name HA  ))
   (( segid "    " and resid 158  and name HB1 ))
      6.000     4.500     0.000 peak   291 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.866 ppm2      2.796 CV     1
 ASSI {  292}
   (( segid "    " and resid 158  and name HA  ))
   (( segid "    " and resid 41   and name HB2 ))
      6.000     4.500     0.000 peak   292 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.864 ppm2      1.675 CV     1
 OR {  292}
   (( segid "    " and resid 158  and name HA  ))
   (( segid "    " and resid 41   and name HB1 ))
 ASSI {  299}
   (( segid "    " and resid 38   and name HB1 ))
   (( segid "    " and resid 38   and name HA  ))
      6.000     4.500     0.000 peak   299 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.606 ppm2      4.278 CV     1
 ASSI {  302}
   (( segid "    " and resid 1    and name HA  ))
   (  segid "    " and resid 2    and name HG2%)
      6.000     6.000     0.000 peak   302 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.603 ppm2      0.755 CV     1
 ASSI {  303}
   (( segid "    " and resid 1    and name HA  ))
   (( segid "    " and resid 1    and name HG21))
      6.000     4.500     0.000 peak   303 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.605 ppm2      0.510 CV     1
 ASSI {  304}
   (( segid "    " and resid 38   and name HB1 ))
   (( segid "    " and resid 129  and name HB1 ))
      6.000     4.500     0.000 peak   304 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.602 ppm2      2.906 CV     1
 ASSI {  307}
   (( segid "    " and resid 105  and name HA  ))
   (  segid "    " and resid 105  and name HG1%)
      6.000     4.500     0.000 peak   307 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.661 ppm2      1.023 CV     1
 OR {  307}
   (( segid "    " and resid 105  and name HA  ))
   (  segid "    " and resid 105  and name HG2%)
 ASSI {  308}
   (( segid "    " and resid 83   and name HA  ))
   (( segid "    " and resid 84   and name HN  ))
      6.000     4.500     0.000 peak   308 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.304 ppm2      8.701 CV     1
 ASSI {  310}
   (( segid "    " and resid 83   and name HA  ))
   (( segid "    " and resid 83   and name HB  ))
      6.000     4.500     0.000 peak   310 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.304 ppm2      2.055 CV     1
 ASSI {  311}
   (( segid "    " and resid 83   and name HA  ))
   (  segid "    " and resid 83   and name HG1%)
      6.000     4.500     0.000 peak   311 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.305 ppm2      0.962 CV     1
 OR {  311}
   (( segid "    " and resid 83   and name HA  ))
   (  segid "    " and resid 83   and name HG2%)
 ASSI {  313}
   (( segid "    " and resid 158  and name HA  ))
   (( segid "    " and resid 41   and name HG1 ))
      6.000     4.500     0.000 peak   313 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.863 ppm2      1.123 CV     1
 ASSI {  317}
   (( segid "    " and resid 158  and name HA  ))
   (( segid "    " and resid 158  and name HB2 ))
      6.000     4.500     0.000 peak   317 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.862 ppm2      3.118 CV     1
 ASSI {  318}
   (( segid "    " and resid 158  and name HA  ))
   (( segid "    " and resid 41   and name HG2 ))
      6.000     4.500     0.000 peak   318 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.858 ppm2      1.493 CV     1
 ASSI {  319}
   (( segid "    " and resid 38   and name HB2 ))
   (( segid "    " and resid 38   and name HN  ))
      6.000     4.500     0.000 peak   319 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.749 ppm2      9.441 CV     1
 ASSI {  320}
   (( segid "    " and resid 38   and name HB2 ))
   (( segid "    " and resid 38   and name HA  ))
      6.000     4.500     0.000 peak   320 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.756 ppm2      4.277 CV     1
 ASSI {  323}
   (( segid "    " and resid 38   and name HB1 ))
   (( segid "    " and resid 157  and name HG1 ))
      6.000     4.500     0.000 peak   323 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.609 ppm2      1.554 CV     1
 ASSI {  325}
   (( segid "    " and resid 38   and name HB1 ))
   (( segid "    " and resid 38   and name HB2 ))
      6.000     4.500     0.000 peak   325 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.596 ppm2      3.735 CV     1
 ASSI {  327}
   (( segid "    " and resid 131  and name HA  ))
   (( segid "    " and resid 131  and name HB  ))
      6.000     4.500     0.000 peak   327 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.481 ppm2      2.138 CV     1
 ASSI {  328}
   (( segid "    " and resid 131  and name HA  ))
   (  segid "    " and resid 35   and name HG2%)
      6.000     4.500     0.000 peak   328 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.479 ppm2      1.231 CV     1
 ASSI {  332}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 28   and name HB  ))
      6.000     4.500     0.000 peak   332 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.752 ppm2      1.542 CV     1
 ASSI {  333}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 44   and name HD2 ))
      6.000     4.500     0.000 peak   333 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.103 ppm2      3.728 CV     1
 ASSI {  334}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 44   and name HD1 ))
      6.000     4.500     0.000 peak   334 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.090 ppm2      3.942 CV     1
 ASSI {  335}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 43   and name HB2 ))
      6.000     4.500     0.000 peak   335 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.096 ppm2      2.491 CV     1
 ASSI {  339}
   (( segid "    " and resid 35   and name HA  ))
   (  segid "    " and resid 35   and name HG2%)
      6.000     4.500     0.000 peak   339 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.594 ppm2      1.235 CV     1
 ASSI {  345}
   (( segid "    " and resid 136  and name HA  ))
   (  segid "    " and resid 136  and name HG2%)
      6.000     4.500     0.000 peak   345 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.497 ppm2      1.019 CV     1
 OR {  345}
   (( segid "    " and resid 136  and name HA  ))
   (  segid "    " and resid 136  and name HG1%)
 ASSI {  351}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 72   and name HN  ))
      6.000     4.500     0.000 peak   351 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.384 ppm2      7.710 CV     1
 ASSI {  352}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 72   and name HB2 ))
      6.000     4.500     0.000 peak   352 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.390 ppm2      3.421 CV     1
 ASSI {  353}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 72   and name HB1 ))
      6.000     4.500     0.000 peak   353 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.388 ppm2      2.939 CV     1
 ASSI {  354}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 75   and name HB1 ))
      6.000     4.500     0.000 peak   354 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.388 ppm2      2.274 CV     1
 ASSI {  355}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 75   and name HB2 ))
      6.000     4.500     0.000 peak   355 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.391 ppm2      1.896 CV     1
 ASSI {  359}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 29   and name HD1 ))
      6.000     4.500     0.000 peak   359 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.755 ppm2      2.735 CV     1
 ASSI {  360}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 28   and name HG12))
      6.000     4.500     0.000 peak   360 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.751 ppm2      2.034 CV     1
 OR {  360}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 28   and name HG11))
 ASSI {  362}
   (( segid "    " and resid 28   and name HA  ))
   (  segid "    " and resid 28   and name HG2%)
      6.000     4.500     0.000 peak   362 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.752 ppm2      0.599 CV     1
 ASSI {  363}
   (( segid "    " and resid 136  and name HA  ))
   (( segid "    " and resid 136  and name HB  ))
      6.000     4.500     0.000 peak   363 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.495 ppm2      1.931 CV     1
 ASSI {  364}
   (( segid "    " and resid 106  and name HA  ))
   (( segid "    " and resid 106  and name HB  ))
      6.000     4.500     0.000 peak   364 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.293 ppm2      1.409 CV     1
 ASSI {  365}
   (( segid "    " and resid 106  and name HA  ))
   (( segid "    " and resid 106  and name HG12))
      6.000     4.500     0.000 peak   365 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.296 ppm2      1.041 CV     1
 OR {  365}
   (( segid "    " and resid 106  and name HA  ))
   (( segid "    " and resid 106  and name HG11))
 ASSI {  366}
   (( segid "    " and resid 106  and name HA  ))
   (  segid "    " and resid 106  and name HG2%)
      6.000     4.500     0.000 peak   366 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.290 ppm2      0.913 CV     1
 ASSI {  369}
   (( segid "    " and resid 77   and name HA  ))
   (( segid "    " and resid 77   and name HG1 ))
      6.000     4.500     0.000 peak   369 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.685 ppm2      2.042 CV     1
 ASSI {  371}
   (( segid "    " and resid 77   and name HA  ))
   (( segid "    " and resid 94   and name HB2 ))
      6.000     4.500     0.000 peak   371 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.687 ppm2      1.403 CV     1
 ASSI {  373}
   (( segid "    " and resid 77   and name HA  ))
   (  segid "    " and resid 94   and name HD2%)
      6.000     4.500     0.000 peak   373 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.684 ppm2      0.733 CV     1
 OR {  373}
   (( segid "    " and resid 77   and name HA  ))
   (  segid "    " and resid 94   and name HD1%)
 ASSI {  376}
   (( segid "    " and resid 77   and name HA  ))
   (( segid "    " and resid 77   and name HG2 ))
      6.000     4.500     0.000 peak   376 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.680 ppm2      2.837 CV     1
 ASSI {  377}
   (( segid "    " and resid 77   and name HA  ))
   (( segid "    " and resid 77   and name HB2 ))
      6.000     4.500     0.000 peak   377 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.680 ppm2      2.591 CV     1
 ASSI {  378}
   (( segid "    " and resid 77   and name HA  ))
   (( segid "    " and resid 94   and name HB1 ))
      6.000     4.500     0.000 peak   378 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.677 ppm2      1.720 CV     1
 ASSI {  381}
   (( segid "    " and resid 62   and name HA  ))
   (( segid "    " and resid 32   and name HN  ))
      6.000     4.500     0.000 peak   381 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.497 ppm2      8.972 CV     1
 ASSI {  384}
   (( segid "    " and resid 62   and name HA  ))
   (( segid "    " and resid 31   and name HA  ))
      6.000     4.500     0.000 peak   384 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.502 ppm2      5.909 CV     1
 ASSI {  386}
   (( segid "    " and resid 62   and name HA  ))
   (( segid "    " and resid 31   and name HB1 ))
      6.000     4.500     0.000 peak   386 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.499 ppm2      3.579 CV     1
 OR {  386}
   (( segid "    " and resid 62   and name HA  ))
   (( segid "    " and resid 31   and name HB2 ))
 ASSI {  388}
   (( segid "    " and resid 62   and name HA  ))
   (  segid "    " and resid 62   and name HG2%)
      6.000     4.500     0.000 peak   388 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.500 ppm2      1.075 CV     1
 ASSI {  390}
   (( segid "    " and resid 106  and name HA  ))
   (( segid "    " and resid 107  and name HB2 ))
      6.000     4.500     0.000 peak   390 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.298 ppm2      2.676 CV     1
 OR {  390}
   (( segid "    " and resid 106  and name HA  ))
   (( segid "    " and resid 107  and name HB1 ))
 ASSI {  391}
   (( segid "    " and resid 106  and name HA  ))
   (( segid "    " and resid 106  and name HN  ))
      6.000     4.500     0.000 peak   391 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.291 ppm2      9.411 CV     1
 ASSI {  393}
   (( segid "    " and resid 106  and name HA  ))
   (  segid "    " and resid 108  and name HG2%)
      6.000     4.500     0.000 peak   393 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.289 ppm2      1.180 CV     1
 ASSI {  394}
   (( segid "    " and resid 106  and name HA  ))
   (  segid "    " and resid 106  and name HD1%)
      6.000     4.500     0.000 peak   394 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.292 ppm2      0.618 CV     1
 ASSI {  398}
   (( segid "    " and resid 116  and name HA  ))
   (  segid "    " and resid 116  and name HD% )
      6.000     4.500     0.000 peak   398 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.167 ppm2      6.675 CV     1
 ASSI {  399}
   (( segid "    " and resid 116  and name HA  ))
   (( segid "    " and resid 116  and name HB1 ))
      6.000     4.500     0.000 peak   399 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.163 ppm2      3.061 CV     1
 ASSI {  400}
   (( segid "    " and resid 116  and name HA  ))
   (( segid "    " and resid 116  and name HB2 ))
      6.000     4.500     0.000 peak   400 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.165 ppm2      2.931 CV     1
 ASSI {  401}
   (( segid "    " and resid 116  and name HA  ))
   (  segid "    " and resid 112  and name HG2%)
      6.000     4.500     0.000 peak   401 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.165 ppm2      1.438 CV     1
 ASSI {  404}
   (( segid "    " and resid 129  and name HA  ))
   (( segid "    " and resid 129  and name HB2 ))
      6.000     4.500     0.000 peak   404 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.866 ppm2      3.160 CV     1
 ASSI {  405}
   (( segid "    " and resid 129  and name HA  ))
   (( segid "    " and resid 132  and name HN  ))
      6.000     4.500     0.000 peak   405 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.858 ppm2      8.313 CV     1
 ASSI {  406}
   (( segid "    " and resid 129  and name HA  ))
   (  segid "    " and resid 129  and name HD% )
      6.000     4.500     0.000 peak   406 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.862 ppm2      7.198 CV     1
 ASSI {  407}
   (( segid "    " and resid 129  and name HA  ))
   (( segid "    " and resid 129  and name HB1 ))
      6.000     4.500     0.000 peak   407 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.860 ppm2      2.897 CV     1
 ASSI {  411}
   (( segid "    " and resid 118  and name HA  ))
   (( segid "    " and resid 121  and name HD2 ))
      6.000     4.500     0.000 peak   411 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.828 ppm2      2.428 CV     1
 ASSI {  412}
   (( segid "    " and resid 118  and name HA  ))
   (( segid "    " and resid 118  and name HG2 ))
      6.000     4.500     0.000 peak   412 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.828 ppm2      2.136 CV     1
 ASSI {  413}
   (( segid "    " and resid 118  and name HA  ))
   (( segid "    " and resid 118  and name HB2 ))
      6.000     4.500     0.000 peak   413 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.831 ppm2      1.958 CV     1
 ASSI {  417}
   (( segid "    " and resid 118  and name HA  ))
   (( segid "    " and resid 120  and name HB1 ))
      6.000     6.000     0.000 peak   417 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.818 ppm2      2.521 CV     1
 ASSI {  421}
   (( segid "    " and resid 38   and name HA  ))
   (( segid "    " and resid 39   and name HB2 ))
      6.000     4.500     0.000 peak   421 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.283 ppm2      3.310 CV     1
 ASSI {  422}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 15   and name HG  ))
      6.000     4.500     0.000 peak   422 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.077 ppm2      0.944 CV     1
 ASSI {  423}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 18   and name HN  ))
      6.000     4.500     0.000 peak   423 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.065 ppm2      8.509 CV     1
 ASSI {  427}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 19   and name HD21))
      6.000     4.500     0.000 peak   427 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.064 ppm2      7.389 CV     1
 ASSI {  429}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 19   and name HB1 ))
      6.000     4.500     0.000 peak   429 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.067 ppm2      2.880 CV     1
 ASSI {  430}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 19   and name HB2 ))
      6.000     4.500     0.000 peak   430 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.065 ppm2      2.684 CV     1
 ASSI {  431}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 16   and name HG1 ))
      6.000     4.500     0.000 peak   431 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.063 ppm2      2.319 CV     1
 ASSI {  439}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 75   and name HB1 ))
      6.000     4.500     0.000 peak   439 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.125 ppm2      2.285 CV     1
 ASSI {  442}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 78   and name HB1 ))
      6.000     4.500     0.000 peak   442 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.121 ppm2      1.858 CV     1
 ASSI {  443}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 75   and name HG1 ))
      6.000     4.500     0.000 peak   443 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.121 ppm2      1.667 CV     1
 ASSI {  446}
   (( segid "    " and resid 109  and name HA  ))
   (( segid "    " and resid 109  and name HG2 ))
      6.000     4.500     0.000 peak   446 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.022 ppm2      2.291 CV     1
 ASSI {  449}
   (( segid "    " and resid 109  and name HA  ))
   (( segid "    " and resid 109  and name HB2 ))
      6.000     4.500     0.000 peak   449 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.016 ppm2      2.019 CV     1
 OR {  449}
   (( segid "    " and resid 109  and name HA  ))
   (( segid "    " and resid 109  and name HB1 ))
 ASSI {  453}
   (( segid "    " and resid 67   and name HA  ))
   (( segid "    " and resid 67   and name HN  ))
      6.000     4.500     0.000 peak   453 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.633 ppm2      8.718 CV     1
 ASSI {  454}
   (( segid "    " and resid 67   and name HA  ))
   (( segid "    " and resid 70   and name HN  ))
      6.000     4.500     0.000 peak   454 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.635 ppm2      7.800 CV     1
 ASSI {  455}
   (( segid "    " and resid 67   and name HA  ))
   (( segid "    " and resid 71   and name HN  ))
      6.000     4.500     0.000 peak   455 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.630 ppm2      7.669 CV     1
 ASSI {  457}
   (( segid "    " and resid 67   and name HA  ))
   (( segid "    " and resid 67   and name HG2 ))
      6.000     4.500     0.000 peak   457 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.634 ppm2      2.137 CV     1
 ASSI {  458}
   (( segid "    " and resid 67   and name HA  ))
   (( segid "    " and resid 67   and name HB1 ))
      6.000     4.500     0.000 peak   458 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.634 ppm2      1.832 CV     1
 OR {  458}
   (( segid "    " and resid 67   and name HA  ))
   (( segid "    " and resid 67   and name HB2 ))
 ASSI {  459}
   (( segid "    " and resid 67   and name HA  ))
   (( segid "    " and resid 110  and name HB1 ))
      6.000     4.500     0.000 peak   459 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.630 ppm2      1.396 CV     1
 ASSI {  461}
   (( segid "    " and resid 67   and name HA  ))
   (( segid "    " and resid 70   and name HB2 ))
      6.000     4.500     0.000 peak   461 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.633 ppm2      0.990 CV     1
 ASSI {  463}
   (( segid "    " and resid 67   and name HA  ))
   (  segid "    " and resid 70   and name HD1%)
      6.000     4.500     0.000 peak   463 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.632 ppm2      0.446 CV     1
 ASSI {  465}
   (( segid "    " and resid 67   and name HA  ))
   (( segid "    " and resid 110  and name HB2 ))
      6.000     4.500     0.000 peak   465 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.626 ppm2      1.602 CV     1
 ASSI {  467}
   (( segid "    " and resid 144  and name HA  ))
   (( segid "    " and resid 125  and name HN  ))
      6.000     4.500     0.000 peak   467 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.514 ppm2      7.455 CV     1
 ASSI {  468}
   (( segid "    " and resid 144  and name HA  ))
   (  segid "    " and resid 129  and name HD% )
      6.000     4.500     0.000 peak   468 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.516 ppm2      7.232 CV     1
 ASSI {  470}
   (( segid "    " and resid 144  and name HA  ))
   (( segid "    " and resid 144  and name HB2 ))
      6.000     4.500     0.000 peak   470 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.513 ppm2      1.791 CV     1
 ASSI {  472}
   (( segid "    " and resid 144  and name HA  ))
   (  segid "    " and resid 147  and name HD1%)
      6.000     4.500     0.000 peak   472 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.511 ppm2     -0.481 CV     1
 ASSI {  479}
   (( segid "    " and resid 113  and name HA  ))
   (  segid "    " and resid 113  and name HG2%)
      6.000     4.500     0.000 peak   479 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.309 ppm2      1.141 CV     1
 ASSI {  480}
   (( segid "    " and resid 113  and name HA  ))
   (( segid "    " and resid 113  and name HN  ))
      6.000     4.500     0.000 peak   480 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.304 ppm2      9.362 CV     1
 ASSI {  482}
   (( segid "    " and resid 113  and name HA  ))
   (( segid "    " and resid 114  and name HA  ))
      6.000     4.500     0.000 peak   482 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.304 ppm2      5.429 CV     1
 ASSI {  498}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 24   and name HN  ))
      6.000     4.500     0.000 peak   498 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.974 ppm2      7.892 CV     1
 ASSI {  499}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 23   and name HN  ))
      6.000     4.500     0.000 peak   499 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.972 ppm2      7.749 CV     1
 ASSI {  500}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 26   and name HN  ))
      6.000     4.500     0.000 peak   500 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.978 ppm2      7.580 CV     1
 ASSI {  501}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 23   and name HB1 ))
      6.000     4.500     0.000 peak   501 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.974 ppm2      1.944 CV     1
 OR {  501}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 23   and name HB2 ))
 ASSI {  502}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 23   and name HD2 ))
      6.000     4.500     0.000 peak   502 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.970 ppm2      1.677 CV     1
 OR {  502}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 23   and name HD1 ))
 ASSI {  503}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 23   and name HG2 ))
      6.000     4.500     0.000 peak   503 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.971 ppm2      1.521 CV     1
 ASSI {  509}
   (( segid "    " and resid 119  and name HA  ))
   (  segid "    " and resid 146  and name HG2%)
      6.000     4.500     0.000 peak   509 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.789 ppm2      0.736 CV     1
 ASSI {  511}
   (( segid "    " and resid 119  and name HA  ))
   (( segid "    " and resid 125  and name HG  ))
      6.000     4.500     0.000 peak   511 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.789 ppm2      0.322 CV     1
 ASSI {  512}
   (( segid "    " and resid 119  and name HA  ))
   (( segid "    " and resid 119  and name HB2 ))
      6.000     4.500     0.000 peak   512 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.776 ppm2      1.661 CV     1
 ASSI {  513}
   (( segid "    " and resid 119  and name HA  ))
   (( segid "    " and resid 119  and name HB1 ))
      6.000     4.500     0.000 peak   513 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.783 ppm2      1.460 CV     1
 ASSI {  526}
   (( segid "    " and resid 115  and name HA  ))
   (( segid "    " and resid 115  and name HB2 ))
      6.000     4.500     0.000 peak   526 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.558 ppm2      2.979 CV     1
 ASSI {  527}
   (( segid "    " and resid 137  and name HA  ))
   (( segid "    " and resid 138  and name HG2 ))
      6.000     4.500     0.000 peak   527 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.298 ppm2      2.007 CV     1
 OR {  527}
   (( segid "    " and resid 137  and name HA  ))
   (( segid "    " and resid 138  and name HG1 ))
 ASSI {  528}
   (( segid "    " and resid 137  and name HA  ))
   (  segid "    " and resid 136  and name HG1%)
      6.000     4.500     0.000 peak   528 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.295 ppm2      1.039 CV     1
 OR {  528}
   (( segid "    " and resid 137  and name HA  ))
   (  segid "    " and resid 136  and name HG2%)
 ASSI {  536}
   (( segid "    " and resid 143  and name HA  ))
   (( segid "    " and resid 143  and name HN  ))
      6.000     4.500     0.000 peak   536 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.080 ppm2      8.432 CV     1
 ASSI {  538}
   (( segid "    " and resid 143  and name HA  ))
   (( segid "    " and resid 143  and name HB1 ))
      6.000     4.500     0.000 peak   538 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.082 ppm2      1.326 CV     1
 ASSI {  541}
   (( segid "    " and resid 143  and name HA  ))
   (( segid "    " and resid 125  and name HG  ))
      6.000     4.500     0.000 peak   541 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.073 ppm2      0.351 CV     1
 ASSI {  542}
   (( segid "    " and resid 143  and name HA  ))
   (( segid "    " and resid 147  and name HN  ))
      6.000     4.500     0.000 peak   542 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.071 ppm2      7.426 CV     1
 ASSI {  544}
   (( segid "    " and resid 130  and name HA  ))
   (( segid "    " and resid 130  and name HN  ))
      6.000     4.500     0.000 peak   544 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.876 ppm2      7.603 CV     1
 ASSI {  545}
   (( segid "    " and resid 130  and name HA  ))
   (( segid "    " and resid 130  and name HG1 ))
      6.000     4.500     0.000 peak   545 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.879 ppm2      2.553 CV     1
 ASSI {  546}
   (( segid "    " and resid 130  and name HA  ))
   (( segid "    " and resid 130  and name HB1 ))
      6.000     4.500     0.000 peak   546 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.880 ppm2      2.284 CV     1
 OR {  546}
   (( segid "    " and resid 130  and name HA  ))
   (( segid "    " and resid 130  and name HG2 ))
 ASSI {  548}
   (( segid "    " and resid 119  and name HA  ))
   (( segid "    " and resid 119  and name HE1 ))
      6.000     4.500     0.000 peak   548 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.771 ppm2      2.273 CV     1
 ASSI {  552}
   (( segid "    " and resid 40   and name HA  ))
   (  segid "    " and resid 40   and name HD% )
      6.000     4.500     0.000 peak   552 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.147 ppm2      7.132 CV     1
 ASSI {  553}
   (( segid "    " and resid 148  and name HA  ))
   (( segid "    " and resid 149  and name HN  ))
      6.000     4.500     0.000 peak   553 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.443 ppm2      8.285 CV     1
 ASSI {  556}
   (( segid "    " and resid 148  and name HA  ))
   (( segid "    " and resid 148  and name HB1 ))
      6.000     4.500     0.000 peak   556 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.442 ppm2      3.209 CV     1
 ASSI {  560}
   (( segid "    " and resid 137  and name HA  ))
   (( segid "    " and resid 137  and name HB1 ))
      6.000     4.500     0.000 peak   560 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.291 ppm2      3.243 CV     1
 ASSI {  561}
   (( segid "    " and resid 69   and name HA  ))
   (( segid "    " and resid 72   and name HD2 ))
      6.000     4.500     0.000 peak   561 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.170 ppm2      7.209 CV     1
 ASSI {  562}
   (( segid "    " and resid 69   and name HA  ))
   (( segid "    " and resid 72   and name HB2 ))
      6.000     4.500     0.000 peak   562 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.170 ppm2      3.396 CV     1
 ASSI {  563}
   (( segid "    " and resid 69   and name HA  ))
   (( segid "    " and resid 69   and name HB2 ))
      6.000     4.500     0.000 peak   563 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.171 ppm2      1.298 CV     1
 ASSI {  564}
   (( segid "    " and resid 69   and name HA  ))
   (  segid "    " and resid 69   and name HD1%)
      6.000     4.500     0.000 peak   564 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.168 ppm2      0.933 CV     1
 OR {  564}
   (( segid "    " and resid 69   and name HA  ))
   (  segid "    " and resid 69   and name HD2%)
 ASSI {  565}
   (( segid "    " and resid 69   and name HA  ))
   (  segid "    " and resid 64   and name HD1%)
      6.000     4.500     0.000 peak   565 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.165 ppm2      0.711 CV     1
 OR {  565}
   (( segid "    " and resid 69   and name HA  ))
   (  segid "    " and resid 64   and name HD2%)
 ASSI {  566}
   (( segid "    " and resid 69   and name HA  ))
   (( segid "    " and resid 69   and name HN  ))
      6.000     4.500     0.000 peak   566 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.160 ppm2      8.158 CV     1
 ASSI {  572}
   (( segid "    " and resid 143  and name HA  ))
   (( segid "    " and resid 142  and name HB1 ))
      6.000     4.500     0.000 peak   572 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.088 ppm2      2.086 CV     1
 ASSI {  573}
   (( segid "    " and resid 143  and name HA  ))
   (( segid "    " and resid 128  and name HB1 ))
      6.000     4.500     0.000 peak   573 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.090 ppm2      2.019 CV     1
 ASSI {  576}
   (( segid "    " and resid 130  and name HA  ))
   (( segid "    " and resid 131  and name HN  ))
      6.000     4.500     0.000 peak   576 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.871 ppm2      6.909 CV     1
 ASSI {  579}
   (( segid "    " and resid 124  and name HA  ))
   (( segid "    " and resid 127  and name HG1 ))
      6.000     4.500     0.000 peak   579 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.407 ppm2      1.397 CV     1
 ASSI {  580}
   (( segid "    " and resid 124  and name HA  ))
   (( segid "    " and resid 124  and name HB1 ))
      6.000     4.500     0.000 peak   580 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.391 ppm2      2.127 CV     1
 OR {  580}
   (( segid "    " and resid 124  and name HA  ))
   (( segid "    " and resid 124  and name HB2 ))
 OR {  580}
   (( segid "    " and resid 124  and name HA  ))
   (( segid "    " and resid 124  and name HG2 ))
 OR {  580}
   (( segid "    " and resid 124  and name HA  ))
   (( segid "    " and resid 124  and name HG1 ))
 ASSI {  588}
   (( segid "    " and resid 79   and name HA  ))
   (( segid "    " and resid 79   and name HG1 ))
      6.000     4.500     0.000 peak   588 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.164 ppm2      2.463 CV     1
 ASSI {  589}
   (( segid "    " and resid 69   and name HA  ))
   (( segid "    " and resid 68   and name HB1 ))
      6.000     4.500     0.000 peak   589 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.165 ppm2      2.152 CV     1
 ASSI {  590}
   (( segid "    " and resid 79   and name HA  ))
   (( segid "    " and resid 79   and name HN  ))
      6.000     4.500     0.000 peak   590 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.159 ppm2      8.597 CV     1
 ASSI {  592}
   (( segid "    " and resid 79   and name HA  ))
   (( segid "    " and resid 79   and name HG2 ))
      6.000     4.500     0.000 peak   592 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.157 ppm2      2.612 CV     1
 ASSI {  593}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 22   and name HG  ))
      6.000     4.500     0.000 peak   593 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.959 ppm2      1.847 CV     1
 ASSI {  595}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 22   and name HN  ))
      6.000     4.500     0.000 peak   595 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.951 ppm2      8.557 CV     1
 ASSI {  596}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 22   and name HB2 ))
      6.000     4.500     0.000 peak   596 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.954 ppm2      2.100 CV     1
 ASSI {  597}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 22   and name HB1 ))
      6.000     4.500     0.000 peak   597 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.949 ppm2      1.450 CV     1
 ASSI {  598}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 25   and name HB2 ))
      6.000     4.500     0.000 peak   598 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.951 ppm2      1.227 CV     1
 ASSI {  599}
   (( segid "    " and resid 22   and name HA  ))
   (  segid "    " and resid 22   and name HD2%)
      6.000     4.500     0.000 peak   599 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.951 ppm2      1.091 CV     1
 ASSI {  600}
   (( segid "    " and resid 101  and name HA  ))
   (  segid "    " and resid 3    and name HB% )
      6.000     4.500     0.000 peak   600 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.533 ppm2      1.209 CV     1
 ASSI {  601}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 70   and name HN  ))
      6.000     4.500     0.000 peak   601 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.328 ppm2      7.837 CV     1
 ASSI {  602}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 71   and name HD22))
      6.000     4.500     0.000 peak   602 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.319 ppm2      7.429 CV     1
 ASSI {  604}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 71   and name HB2 ))
      6.000     4.500     0.000 peak   604 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.324 ppm2      3.056 CV     1
 ASSI {  605}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 71   and name HB1 ))
      6.000     4.500     0.000 peak   605 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.326 ppm2      2.582 CV     1
 ASSI {  606}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 71   and name HN  ))
      6.000     4.500     0.000 peak   606 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.315 ppm2      7.684 CV     1
 ASSI {  607}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 71   and name HD21))
      6.000     4.500     0.000 peak   607 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.318 ppm2      7.181 CV     1
 ASSI {  608}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 68   and name HG2 ))
      6.000     4.500     0.000 peak   608 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.318 ppm2      2.389 CV     1
 OR {  608}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 68   and name HG1 ))
 ASSI {  609}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 68   and name HB2 ))
      6.000     4.500     0.000 peak   609 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.310 ppm2      2.250 CV     1
 ASSI {  610}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 68   and name HB1 ))
      6.000     4.500     0.000 peak   610 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.316 ppm2      2.169 CV     1
 ASSI {  613}
   (( segid "    " and resid 145  and name HA  ))
   (( segid "    " and resid 145  and name HB1 ))
      6.000     4.500     0.000 peak   613 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.233 ppm2      2.250 CV     1
 ASSI {  616}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 25   and name HN  ))
      6.000     4.500     0.000 peak   616 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.947 ppm2      8.991 CV     1
 ASSI {  617}
   (( segid "    " and resid 135  and name HA  ))
   (( segid "    " and resid 136  and name HN  ))
      6.000     4.500     0.000 peak   617 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.830 ppm2      8.403 CV     1
 ASSI {  619}
   (( segid "    " and resid 101  and name HA  ))
   (( segid "    " and resid 101  and name HB1 ))
      6.000     4.500     0.000 peak   619 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.530 ppm2      3.322 CV     1
 ASSI {  624}
   (( segid "    " and resid 123  and name HA  ))
   (( segid "    " and resid 123  and name HB1 ))
      6.000     4.500     0.000 peak   624 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.331 ppm2      2.912 CV     1
 ASSI {  629}
   (( segid "    " and resid 78   and name HA  ))
   (  segid "    " and resid 78   and name HD1%)
      6.000     4.500     0.000 peak   629 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.057 ppm2      0.792 CV     1
 OR {  629}
   (( segid "    " and resid 78   and name HA  ))
   (  segid "    " and resid 78   and name HD2%)
 ASSI {  631}
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 28   and name HN  ))
      6.000     4.500     0.000 peak   631 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.868 ppm2      7.123 CV     1
 ASSI {  634}
   (( segid "    " and resid 135  and name HA  ))
   (( segid "    " and resid 134  and name HN  ))
      6.000     4.500     0.000 peak   634 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.831 ppm2      8.271 CV     1
 ASSI {  637}
   (( segid "    " and resid 135  and name HA  ))
   (( segid "    " and resid 135  and name HB2 ))
      6.000     4.500     0.000 peak   637 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.830 ppm2      1.742 CV     1
 ASSI {  638}
   (( segid "    " and resid 135  and name HA  ))
   (( segid "    " and resid 135  and name HG  ))
      6.000     4.500     0.000 peak   638 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.835 ppm2      1.209 CV     1
 ASSI {  640}
   (( segid "    " and resid 135  and name HA  ))
   (  segid "    " and resid 135  and name HD1%)
      6.000     4.500     0.000 peak   640 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.829 ppm2      0.082 CV     1
 ASSI {  644}
   (( segid "    " and resid 147  and name HA  ))
   (( segid "    " and resid 147  and name HB2 ))
      6.000     4.500     0.000 peak   644 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.672 ppm2      1.073 CV     1
 ASSI {  645}
   (( segid "    " and resid 147  and name HA  ))
   (( segid "    " and resid 147  and name HG  ))
      6.000     4.500     0.000 peak   645 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.673 ppm2      0.868 CV     1
 ASSI {  646}
   (( segid "    " and resid 147  and name HA  ))
   (( segid "    " and resid 147  and name HB1 ))
      6.000     4.500     0.000 peak   646 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.675 ppm2      0.695 CV     1
 ASSI {  647}
   (( segid "    " and resid 147  and name HA  ))
   (  segid "    " and resid 147  and name HD2%)
      6.000     4.500     0.000 peak   647 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.673 ppm2     -0.563 CV     1
 ASSI {  650}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 62   and name HB  ))
      6.000     4.500     0.000 peak   650 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.941 ppm2      3.811 CV     1
 ASSI {  652}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 28   and name HB  ))
      6.000     4.500     0.000 peak   652 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.940 ppm2      1.520 CV     1
 ASSI {  653}
   (( segid "    " and resid 31   and name HA  ))
   (  segid "    " and resid 62   and name HG2%)
      6.000     4.500     0.000 peak   653 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.942 ppm2      1.079 CV     1
 ASSI {  658}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 60   and name HG  ))
      6.000     4.500     0.000 peak   658 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.929 ppm2      1.268 CV     1
 ASSI {  664}
   (( segid "    " and resid 141  and name HA  ))
   (( segid "    " and resid 141  and name HB1 ))
      6.000     4.500     0.000 peak   664 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.281 ppm2      1.752 CV     1
 ASSI {  668}
   (( segid "    " and resid 141  and name HA  ))
   (( segid "    " and resid 142  and name HG1 ))
      6.000     4.500     0.000 peak   668 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.272 ppm2      2.800 CV     1
 ASSI {  669}
   (( segid "    " and resid 141  and name HA  ))
   (( segid "    " and resid 141  and name HG2 ))
      6.000     4.500     0.000 peak   669 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.273 ppm2      2.035 CV     1
 ASSI {  670}
   (( segid "    " and resid 141  and name HA  ))
   (( segid "    " and resid 141  and name HB2 ))
      6.000     4.500     0.000 peak   670 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.274 ppm2      1.848 CV     1
 ASSI {  672}
   (( segid "    " and resid 104  and name HA  ))
   (( segid "    " and resid 104  and name HB2 ))
      6.000     4.500     0.000 peak   672 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.246 ppm2      2.154 CV     1
 ASSI {  673}
   (( segid "    " and resid 104  and name HA  ))
   (  segid "    " and resid 105  and name HG2%)
      6.000     4.500     0.000 peak   673 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.245 ppm2      1.016 CV     1
 OR {  673}
   (( segid "    " and resid 104  and name HA  ))
   (  segid "    " and resid 105  and name HG1%)
 ASSI {  675}
   (( segid "    " and resid 110  and name HA  ))
   (( segid "    " and resid 111  and name HB2 ))
      6.000     4.500     0.000 peak   675 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.201 ppm2      0.914 CV     1
 ASSI {  680}
   (( segid "    " and resid 78   and name HA  ))
   (( segid "    " and resid 78   and name HB2 ))
      6.000     4.500     0.000 peak   680 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.062 ppm2      1.540 CV     1
 ASSI {  682}
   (( segid "    " and resid 78   and name HA  ))
   (( segid "    " and resid 78   and name HB1 ))
      6.000     4.500     0.000 peak   682 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.054 ppm2      1.849 CV     1
 ASSI {  686}
   (( segid "    " and resid 125  and name HA  ))
   (( segid "    " and resid 125  and name HN  ))
      6.000     4.500     0.000 peak   686 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.820 ppm2      7.483 CV     1
 ASSI {  688}
   (( segid "    " and resid 128  and name HA  ))
   (( segid "    " and resid 131  and name HG12))
      6.000     4.500     0.000 peak   688 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.818 ppm2      1.480 CV     1
 ASSI {  690}
   (( segid "    " and resid 125  and name HA  ))
   (  segid "    " and resid 128  and name HD2%)
      6.000     4.500     0.000 peak   690 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.816 ppm2      0.567 CV     1
 OR {  690}
   (( segid "    " and resid 125  and name HA  ))
   (  segid "    " and resid 128  and name HD1%)
 ASSI {  691}
   (( segid "    " and resid 125  and name HA  ))
   (  segid "    " and resid 125  and name HD1%)
      6.000     4.500     0.000 peak   691 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.817 ppm2      0.447 CV     1
 ASSI {  694}
   (( segid "    " and resid 147  and name HA  ))
   (( segid "    " and resid 125  and name HG  ))
      6.000     4.500     0.000 peak   694 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.677 ppm2      0.319 CV     1
 ASSI {  698}
   (( segid "    " and resid 4    and name HA  ))
   (  segid "    " and resid 4    and name HD% )
      6.000     4.500     0.000 peak   698 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.610 ppm2      6.821 CV     1
 ASSI {  703}
   (( segid "    " and resid 4    and name HA  ))
   (( segid "    " and resid 4    and name HB1 ))
      6.000     4.500     0.000 peak   703 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.603 ppm2      2.721 CV     1
 OR {  703}
   (( segid "    " and resid 4    and name HA  ))
   (( segid "    " and resid 4    and name HB2 ))
 ASSI {  706}
   (( segid "    " and resid 4    and name HA  ))
   (( segid "    " and resid 5    and name HG12))
      6.000     4.500     0.000 peak   706 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.600 ppm2      1.545 CV     1
 ASSI {  707}
   (( segid "    " and resid 4    and name HA  ))
   (  segid "    " and resid 59   and name HB% )
      6.000     4.500     0.000 peak   707 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.595 ppm2      1.230 CV     1
 ASSI {  713}
   (( segid "    " and resid 110  and name HA  ))
   (( segid "    " and resid 110  and name HB2 ))
      6.000     4.500     0.000 peak   713 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.217 ppm2      1.627 CV     1
 ASSI {  714}
   (( segid "    " and resid 110  and name HA  ))
   (( segid "    " and resid 110  and name HG2 ))
      6.000     4.500     0.000 peak   714 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.216 ppm2      1.484 CV     1
 ASSI {  715}
   (( segid "    " and resid 110  and name HA  ))
   (( segid "    " and resid 110  and name HB1 ))
      6.000     4.500     0.000 peak   715 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.219 ppm2      1.355 CV     1
 ASSI {  716}
   (( segid "    " and resid 110  and name HA  ))
   (  segid "    " and resid 70   and name HD1%)
      6.000     4.500     0.000 peak   716 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.218 ppm2      0.451 CV     1
 ASSI {  721}
   (( segid "    " and resid 30   and name HA  ))
   (( segid "    " and resid 30   and name HB1 ))
      6.000     4.500     0.000 peak   721 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.903 ppm2      2.390 CV     1
 ASSI {  725}
   (( segid "    " and resid 125  and name HA  ))
   (( segid "    " and resid 128  and name HG  ))
      6.000     4.500     0.000 peak   725 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.806 ppm2      0.279 CV     1
 ASSI {  728}
   (( segid "    " and resid 19   and name HA  ))
   (( segid "    " and resid 19   and name HB1 ))
      6.000     4.500     0.000 peak   728 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.555 ppm2      2.870 CV     1
 ASSI {  729}
   (( segid "    " and resid 19   and name HA  ))
   (( segid "    " and resid 19   and name HB2 ))
      6.000     4.500     0.000 peak   729 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.564 ppm2      2.672 CV     1
 ASSI {  730}
   (( segid "    " and resid 19   and name HA  ))
   (( segid "    " and resid 22   and name HB2 ))
      6.000     4.500     0.000 peak   730 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.553 ppm2      2.077 CV     1
 ASSI {  732}
   (( segid "    " and resid 19   and name HA  ))
   (  segid "    " and resid 18   and name HG1%)
      6.000     4.500     0.000 peak   732 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.550 ppm2      0.294 CV     1
 ASSI {  736}
   (( segid "    " and resid 87   and name HA  ))
   (( segid "    " and resid 87   and name HG1 ))
      6.000     4.500     0.000 peak   736 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.067 ppm2      2.194 CV     1
 ASSI {  737}
   (( segid "    " and resid 87   and name HA  ))
   (( segid "    " and resid 87   and name HB1 ))
      6.000     4.500     0.000 peak   737 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.069 ppm2      2.011 CV     1
 ASSI {  739}
   (( segid "    " and resid 30   and name HA  ))
   (( segid "    " and resid 30   and name HG1 ))
      6.000     4.500     0.000 peak   739 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.905 ppm2      2.105 CV     1
 ASSI {  740}
   (( segid "    " and resid 30   and name HA  ))
   (( segid "    " and resid 30   and name HB2 ))
      6.000     4.500     0.000 peak   740 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.909 ppm2      2.019 CV     1
 ASSI {  752}
   (( segid "    " and resid 70   and name HA  ))
   (( segid "    " and resid 69   and name HB2 ))
      6.000     4.500     0.000 peak   752 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.559 ppm2      1.327 CV     1
 ASSI {  753}
   (( segid "    " and resid 70   and name HA  ))
   (  segid "    " and resid 70   and name HD2%)
      6.000     4.500     0.000 peak   753 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.549 ppm2      0.688 CV     1
 ASSI {  755}
   (( segid "    " and resid 157  and name HA  ))
   (( segid "    " and resid 157  and name HB2 ))
      6.000     4.500     0.000 peak   755 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.466 ppm2      1.954 CV     1
 ASSI {  756}
   (( segid "    " and resid 157  and name HA  ))
   (( segid "    " and resid 157  and name HG2 ))
      6.000     4.500     0.000 peak   756 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.464 ppm2      1.177 CV     1
 ASSI {  758}
   (( segid "    " and resid 157  and name HA  ))
   (( segid "    " and resid 40   and name HA  ))
      6.000     4.500     0.000 peak   758 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.457 ppm2      5.156 CV     1
 ASSI {  764}
   (( segid "    " and resid 70   and name HA  ))
   (( segid "    " and resid 70   and name HB1 ))
      6.000     4.500     0.000 peak   764 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.549 ppm2      1.839 CV     1
 ASSI {  768}
   (( segid "    " and resid 34   and name HA  ))
   (( segid "    " and resid 34   and name HB1 ))
      6.000     4.500     0.000 peak   768 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.491 ppm2      1.611 CV     1
 ASSI {  769}
   (( segid "    " and resid 34   and name HA  ))
   (( segid "    " and resid 34   and name HB2 ))
      6.000     4.500     0.000 peak   769 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.491 ppm2      1.550 CV     1
 ASSI {  773}
   (( segid "    " and resid 84   and name HA  ))
   (( segid "    " and resid 84   and name HG1 ))
      6.000     4.500     0.000 peak   773 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.322 ppm2      1.232 CV     1
 ASSI {  774}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 71   and name HD22))
      6.000     4.500     0.000 peak   774 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.301 ppm2      7.428 CV     1
 ASSI {  775}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 70   and name HB2 ))
      6.000     4.500     0.000 peak   775 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.300 ppm2      1.010 CV     1
 ASSI {  778}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 74   and name HN  ))
      6.000     4.500     0.000 peak   778 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.287 ppm2      8.881 CV     1
 ASSI {  779}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 71   and name HN  ))
      6.000     4.500     0.000 peak   779 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.287 ppm2      7.681 CV     1
 ASSI {  780}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 71   and name HD21))
      6.000     4.500     0.000 peak   780 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.288 ppm2      7.192 CV     1
 ASSI {  782}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 71   and name HB2 ))
      6.000     4.500     0.000 peak   782 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.285 ppm2      3.034 CV     1
 ASSI {  783}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 71   and name HB1 ))
      6.000     4.500     0.000 peak   783 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.287 ppm2      2.587 CV     1
 ASSI {  784}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 75   and name HB2 ))
      6.000     4.500     0.000 peak   784 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.283 ppm2      1.903 CV     1
 ASSI {  785}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 70   and name HB1 ))
      6.000     4.500     0.000 peak   785 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.287 ppm2      1.846 CV     1
 ASSI {  786}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 110  and name HG1 ))
      6.000     4.500     0.000 peak   786 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.285 ppm2      1.782 CV     1
 ASSI {  788}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 46   and name HN  ))
      6.000     4.500     0.000 peak   788 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.235 ppm2      8.338 CV     1
 ASSI {  789}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 48   and name HG1 ))
      6.000     4.500     0.000 peak   789 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.235 ppm2      2.403 CV     1
 OR {  789}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 48   and name HG2 ))
 ASSI {  790}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 48   and name HB1 ))
      6.000     4.500     0.000 peak   790 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.233 ppm2      2.238 CV     1
 ASSI {  791}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 48   and name HB2 ))
      6.000     4.500     0.000 peak   791 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.235 ppm2      2.004 CV     1
 ASSI {  797}
   (( segid "    " and resid 84   and name HA  ))
   (( segid "    " and resid 84   and name HN  ))
      6.000     4.500     0.000 peak   797 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.324 ppm2      8.700 CV     1
 ASSI {  798}
   (( segid "    " and resid 84   and name HA  ))
   (( segid "    " and resid 84   and name HB2 ))
      6.000     4.500     0.000 peak   798 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.327 ppm2      1.301 CV     1
 ASSI {  803}
   (( segid "    " and resid 80   and name HA  ))
   (( segid "    " and resid 80   and name HB2 ))
      6.000     4.500     0.000 peak   803 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.595 ppm2      2.293 CV     1
 OR {  803}
   (( segid "    " and resid 80   and name HA  ))
   (( segid "    " and resid 80   and name HB1 ))
 ASSI {  807}
   (( segid "    " and resid 150  and name HA  ))
   (( segid "    " and resid 150  and name HN  ))
      6.000     4.500     0.000 peak   807 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.023 ppm2      7.841 CV     1
 ASSI {  808}
   (( segid "    " and resid 150  and name HA  ))
   (( segid "    " and resid 151  and name HN  ))
      6.000     4.500     0.000 peak   808 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.022 ppm2      7.548 CV     1
 ASSI {  809}
   (( segid "    " and resid 150  and name HA  ))
   (( segid "    " and resid 150  and name HD1 ))
      6.000     4.500     0.000 peak   809 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.022 ppm2      3.096 CV     1
 ASSI {  810}
   (( segid "    " and resid 150  and name HA  ))
   (( segid "    " and resid 150  and name HD2 ))
      6.000     4.500     0.000 peak   810 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.025 ppm2      2.950 CV     1
 ASSI {  811}
   (( segid "    " and resid 150  and name HA  ))
   (( segid "    " and resid 150  and name HB1 ))
      6.000     4.500     0.000 peak   811 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.023 ppm2      1.257 CV     1
 ASSI {  812}
   (( segid "    " and resid 150  and name HA  ))
   (( segid "    " and resid 150  and name HB2 ))
      6.000     4.500     0.000 peak   812 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.023 ppm2      0.900 CV     1
 ASSI {  823}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 23   and name HD1 ))
      6.000     4.500     0.000 peak   823 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.181 ppm2      1.668 CV     1
 OR {  823}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 23   and name HD2 ))
 ASSI {  829}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 21   and name HN  ))
      6.000     4.500     0.000 peak   829 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.960 ppm2      8.591 CV     1
 ASSI {  830}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 24   and name HN  ))
      6.000     4.500     0.000 peak   830 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.961 ppm2      7.890 CV     1
 ASSI {  831}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 23   and name HN  ))
      6.000     4.500     0.000 peak   831 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.960 ppm2      7.766 CV     1
 ASSI {  833}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 76   and name HG11))
      6.000     4.500     0.000 peak   833 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.957 ppm2      2.103 CV     1
 OR {  833}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 76   and name HG12))
 ASSI {  834}
   (( segid "    " and resid 21   and name HA  ))
   (  segid "    " and resid 21   and name HB% )
      6.000     4.500     0.000 peak   834 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.962 ppm2      1.462 CV     1
 ASSI {  835}
   (( segid "    " and resid 21   and name HA  ))
   (  segid "    " and resid 76   and name HG2%)
      6.000     4.500     0.000 peak   835 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.960 ppm2      0.855 CV     1
 ASSI {  836}
   (( segid "    " and resid 21   and name HA  ))
   (  segid "    " and resid 94   and name HD2%)
      6.000     4.500     0.000 peak   836 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.961 ppm2      0.740 CV     1
 OR {  836}
   (( segid "    " and resid 21   and name HA  ))
   (  segid "    " and resid 94   and name HD1%)
 ASSI {  837}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 76   and name HB  ))
      6.000     4.500     0.000 peak   837 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.953 ppm2      1.908 CV     1
 ASSI {  841}
   (( segid "    " and resid 41   and name HA  ))
   (( segid "    " and resid 41   and name HB2 ))
      6.000     4.500     0.000 peak   841 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.756 ppm2      1.687 CV     1
 OR {  841}
   (( segid "    " and resid 41   and name HA  ))
   (( segid "    " and resid 41   and name HB1 ))
 ASSI {  842}
   (( segid "    " and resid 41   and name HA  ))
   (( segid "    " and resid 42   and name HN  ))
      6.000     4.500     0.000 peak   842 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.748 ppm2      9.591 CV     1
 ASSI {  847}
   (( segid "    " and resid 54   and name HA  ))
   (( segid "    " and resid 54   and name HB2 ))
      6.000     4.500     0.000 peak   847 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.365 ppm2      0.945 CV     1
 ASSI {  851}
   (( segid "    " and resid 54   and name HA  ))
   (( segid "    " and resid 54   and name HB1 ))
      6.000     4.500     0.000 peak   851 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.354 ppm2      0.601 CV     1
 ASSI {  852}
   (( segid "    " and resid 54   and name HA  ))
   (  segid "    " and resid 54   and name HD2%)
      6.000     4.500     0.000 peak   852 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.353 ppm2      0.174 CV     1
 ASSI {  853}
   (( segid "    " and resid 54   and name HA  ))
   (  segid "    " and resid 54   and name HD1%)
      6.000     4.500     0.000 peak   853 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.357 ppm2     -0.529 CV     1
 ASSI {  855}
   (( segid "    " and resid 61   and name HA  ))
   (( segid "    " and resid 62   and name HN  ))
      6.000     4.500     0.000 peak   855 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.707 ppm2      9.218 CV     1
 ASSI {  857}
   (( segid "    " and resid 153  and name HA  ))
   (( segid "    " and resid 153  and name HB2 ))
      6.000     4.500     0.000 peak   857 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.569 ppm2      2.739 CV     1
 ASSI {  858}
   (( segid "    " and resid 153  and name HA  ))
   (( segid "    " and resid 154  and name HB2 ))
      6.000     4.500     0.000 peak   858 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.572 ppm2      1.363 CV     1
 OR {  858}
   (( segid "    " and resid 153  and name HA  ))
   (( segid "    " and resid 154  and name HB1 ))
 ASSI {  859}
   (( segid "    " and resid 153  and name HA  ))
   (( segid "    " and resid 153  and name HB1 ))
      6.000     4.500     0.000 peak   859 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.565 ppm2      2.588 CV     1
 ASSI {  860}
   (( segid "    " and resid 52   and name HA  ))
   (( segid "    " and resid 53   and name HN  ))
      6.000     4.500     0.000 peak   860 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.544 ppm2      8.730 CV     1
 ASSI {  861}
   (( segid "    " and resid 52   and name HA  ))
   (( segid "    " and resid 52   and name HB2 ))
      6.000     4.500     0.000 peak   861 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.542 ppm2      2.450 CV     1
 ASSI {  864}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 45   and name HN  ))
      6.000     4.500     0.000 peak   864 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.426 ppm2      8.192 CV     1
 ASSI {  866}
   (( segid "    " and resid 45   and name HA  ))
   (  segid "    " and resid 45   and name HD2%)
      6.000     4.500     0.000 peak   866 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.431 ppm2      0.856 CV     1
 ASSI {  871}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 69   and name HB1 ))
      6.000     4.500     0.000 peak   871 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.222 ppm2      2.217 CV     1
 ASSI {  872}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 64   and name HG  ))
      6.000     4.500     0.000 peak   872 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.216 ppm2      0.742 CV     1
 ASSI {  874}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 80   and name HB2 ))
      6.000     4.500     0.000 peak   874 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.186 ppm2      2.286 CV     1
 OR {  874}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 80   and name HB1 ))
 ASSI {  880}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 11   and name HG  ))
      6.000     4.500     0.000 peak   880 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.227 ppm2      0.881 CV     1
 ASSI {  883}
   (( segid "    " and resid 134  and name HA  ))
   (( segid "    " and resid 134  and name HB2 ))
      6.000     4.500     0.000 peak   883 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.544 ppm2      2.301 CV     1
 OR {  883}
   (( segid "    " and resid 134  and name HA  ))
   (( segid "    " and resid 134  and name HG2 ))
 ASSI {  884}
   (( segid "    " and resid 134  and name HA  ))
   (( segid "    " and resid 134  and name HG1 ))
      6.000     4.500     0.000 peak   884 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.543 ppm2      2.106 CV     1
 ASSI {  885}
   (( segid "    " and resid 134  and name HA  ))
   (( segid "    " and resid 134  and name HB1 ))
      6.000     4.500     0.000 peak   885 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.541 ppm2      1.739 CV     1
 ASSI {  888}
   (( segid "    " and resid 49   and name HA  ))
   (( segid "    " and resid 49   and name HB1 ))
      6.000     4.500     0.000 peak   888 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.597 ppm2      2.631 CV     1
 ASSI {  889}
   (( segid "    " and resid 49   and name HA  ))
   (( segid "    " and resid 49   and name HB2 ))
      6.000     4.500     0.000 peak   889 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.597 ppm2      2.736 CV     1
 ASSI {  890}
   (( segid "    " and resid 155  and name HA  ))
   (( segid "    " and resid 41   and name HB1 ))
      6.000     4.500     0.000 peak   890 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.526 ppm2      1.670 CV     1
 OR {  890}
   (( segid "    " and resid 155  and name HA  ))
   (( segid "    " and resid 41   and name HB2 ))
 ASSI {  892}
   (( segid "    " and resid 155  and name HA  ))
   (( segid "    " and resid 156  and name HB2 ))
      6.000     4.500     0.000 peak   892 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.508 ppm2      2.738 CV     1
 ASSI {  893}
   (( segid "    " and resid 139  and name HA  ))
   (( segid "    " and resid 140  and name HN  ))
      6.000     4.500     0.000 peak   893 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.492 ppm2      8.362 CV     1
 ASSI {  894}
   (( segid "    " and resid 139  and name HA  ))
   (( segid "    " and resid 139  and name HN  ))
      6.000     4.500     0.000 peak   894 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.496 ppm2      7.481 CV     1
 ASSI {  895}
   (( segid "    " and resid 139  and name HA  ))
   (( segid "    " and resid 139  and name HB1 ))
      6.000     4.500     0.000 peak   895 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.495 ppm2      3.020 CV     1
 ASSI {  896}
   (( segid "    " and resid 139  and name HA  ))
   (( segid "    " and resid 139  and name HB2 ))
      6.000     4.500     0.000 peak   896 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.492 ppm2      2.584 CV     1
 ASSI {  900}
   (( segid "    " and resid 121  and name HA  ))
   (( segid "    " and resid 121  and name HB1 ))
      6.000     4.500     0.000 peak   900 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.284 ppm2      0.957 CV     1
 ASSI {  902}
   (( segid "    " and resid 121  and name HA  ))
   (( segid "    " and resid 121  and name HB2 ))
      6.000     4.500     0.000 peak   902 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.274 ppm2     -0.386 CV     1
 ASSI {  907}
   (( segid "    " and resid 86   and name HA  ))
   (  segid "    " and resid 86   and name HB% )
      6.000     4.500     0.000 peak   907 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.026 ppm2      1.410 CV     1
 ASSI {  911}
   (( segid "    " and resid 111  and name HA  ))
   (  segid "    " and resid 111  and name HD2%)
      6.000     4.500     0.000 peak   911 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.893 ppm2      0.335 CV     1
 ASSI {  912}
   (( segid "    " and resid 111  and name HA  ))
   (( segid "    " and resid 111  and name HB1 ))
      6.000     4.500     0.000 peak   912 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.886 ppm2      1.320 CV     1
 ASSI {  913}
   (( segid "    " and resid 111  and name HA  ))
   (( segid "    " and resid 111  and name HB2 ))
      6.000     4.500     0.000 peak   913 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.887 ppm2      0.897 CV     1
 ASSI {  915}
   (( segid "    " and resid 39   and name HA  ))
   (( segid "    " and resid 39   and name HB1 ))
      6.000     4.500     0.000 peak   915 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.376 ppm2      2.810 CV     1
 ASSI {  916}
   (( segid "    " and resid 39   and name HA  ))
   (  segid "    " and resid 39   and name HD% )
      6.000     4.500     0.000 peak   916 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.372 ppm2      6.963 CV     1
 ASSI {  917}
   (( segid "    " and resid 39   and name HA  ))
   (( segid "    " and resid 39   and name HB2 ))
      6.000     4.500     0.000 peak   917 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.367 ppm2      3.317 CV     1
 ASSI {  918}
   (( segid "    " and resid 39   and name HA  ))
   (  segid "    " and resid 56   and name HB% )
      6.000     4.500     0.000 peak   918 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.368 ppm2      1.456 CV     1
 ASSI {  922}
   (( segid "    " and resid 155  and name HA  ))
   (( segid "    " and resid 155  and name HG  ))
      6.000     4.500     0.000 peak   922 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.512 ppm2      0.913 CV     1
 ASSI {  924}
   (( segid "    " and resid 121  and name HA  ))
   (( segid "    " and resid 121  and name HG2 ))
      6.000     4.500     0.000 peak   924 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.277 ppm2      1.076 CV     1
 ASSI {  928}
   (( segid "    " and resid 55   and name HA  ))
   (( segid "    " and resid 8    and name HA2 ))
      6.000     4.500     0.000 peak   928 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.131 ppm2      3.753 CV     1
 ASSI {  930}
   (( segid "    " and resid 55   and name HA  ))
   (( segid "    " and resid 55   and name HB1 ))
      6.000     4.500     0.000 peak   930 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.126 ppm2      3.156 CV     1
 ASSI {  931}
   (( segid "    " and resid 55   and name HA  ))
   (( segid "    " and resid 55   and name HB2 ))
      6.000     4.500     0.000 peak   931 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.125 ppm2      2.412 CV     1
 ASSI {  941}
   (( segid "    " and resid 107  and name HA  ))
   (( segid "    " and resid 112  and name HA  ))
      6.000     4.500     0.000 peak   941 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.498 ppm2      5.215 CV     1
 ASSI {  942}
   (( segid "    " and resid 107  and name HA  ))
   (( segid "    " and resid 107  and name HB1 ))
      6.000     4.500     0.000 peak   942 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.499 ppm2      2.698 CV     1
 ASSI {  943}
   (( segid "    " and resid 107  and name HA  ))
   (  segid "    " and resid 112  and name HG2%)
      6.000     4.500     0.000 peak   943 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.499 ppm2      1.433 CV     1
 ASSI {  944}
   (( segid "    " and resid 107  and name HA  ))
   (  segid "    " and resid 108  and name HG2%)
      6.000     4.500     0.000 peak   944 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.493 ppm2      1.197 CV     1
 ASSI {  946}
   (( segid "    " and resid 96   and name HA  ))
   (  segid "    " and resid 96   and name HD1%)
      6.000     4.500     0.000 peak   946 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.449 ppm2      0.933 CV     1
 OR {  946}
   (( segid "    " and resid 96   and name HA  ))
   (  segid "    " and resid 96   and name HD2%)
 ASSI {  947}
   (( segid "    " and resid 96   and name HA  ))
   (( segid "    " and resid 96   and name HB1 ))
      6.000     4.500     0.000 peak   947 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.436 ppm2      2.069 CV     1
 ASSI {  950}
   (( segid "    " and resid 97   and name HA  ))
   (( segid "    " and resid 97   and name HN  ))
      6.000     4.500     0.000 peak   950 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.531 ppm2      8.835 CV     1
 ASSI {  953}
   (( segid "    " and resid 97   and name HA  ))
   (( segid "    " and resid 97   and name HB2 ))
      6.000     4.500     0.000 peak   953 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.526 ppm2      2.340 CV     1
 ASSI {  954}
   (( segid "    " and resid 151  and name HA  ))
   (( segid "    " and resid 150  and name HN  ))
      6.000     4.500     0.000 peak   954 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.111 ppm2      7.840 CV     1
 ASSI {  956}
   (( segid "    " and resid 151  and name HA  ))
   (( segid "    " and resid 152  and name HN  ))
      6.000     4.500     0.000 peak   956 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.096 ppm2      7.248 CV     1
 ASSI {  957}
   (( segid "    " and resid 151  and name HA  ))
   (  segid "    " and resid 151  and name HB% )
      6.000     4.500     0.000 peak   957 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.095 ppm2      1.200 CV     1
 ASSI {  959}
   (( segid "    " and resid 97   and name HA  ))
   (( segid "    " and resid 97   and name HB1 ))
      6.000     4.500     0.000 peak   959 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.527 ppm2      2.520 CV     1
 ASSI {  961}
   (( segid "    " and resid 97   and name HA  ))
   (( segid "    " and resid 98   and name HG12))
      6.000     4.500     0.000 peak   961 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.525 ppm2      1.888 CV     1
 ASSI {  962}
   (( segid "    " and resid 97   and name HA  ))
   (( segid "    " and resid 66   and name HG1 ))
      6.000     6.000     0.000 peak   962 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.523 ppm2      0.759 CV     1
 ASSI {  966}
   (( segid "    " and resid 103  and name HA  ))
   (( segid "    " and resid 138  and name HB1 ))
      6.000     4.500     0.000 peak   966 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.175 ppm2      2.410 CV     1
 ASSI {  967}
   (( segid "    " and resid 103  and name HA  ))
   (( segid "    " and resid 103  and name HB1 ))
      6.000     4.500     0.000 peak   967 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.164 ppm2      2.985 CV     1
 ASSI {  968}
   (( segid "    " and resid 103  and name HA  ))
   (( segid "    " and resid 103  and name HB2 ))
      6.000     4.500     0.000 peak   968 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.165 ppm2      2.652 CV     1
 ASSI {  970}
   (( segid "    " and resid 117  and name HA  ))
   (( segid "    " and resid 117  and name HB1 ))
      6.000     4.500     0.000 peak   970 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.033 ppm2      0.850 CV     1
 ASSI {  979}
   (( segid "    " and resid 57   and name HA  ))
   (  segid "    " and resid 57   and name HB% )
      6.000     4.500     0.000 peak   979 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.656 ppm2      1.335 CV     1
 ASSI {  980}
   (( segid "    " and resid 57   and name HA  ))
   (  segid "    " and resid 58   and name HG2%)
      6.000     4.500     0.000 peak   980 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.659 ppm2      0.959 CV     1
 OR {  980}
   (( segid "    " and resid 57   and name HA  ))
   (  segid "    " and resid 58   and name HG1%)
 ASSI {  982}
   (( segid "    " and resid 6    and name HA  ))
   (  segid "    " and resid 6    and name HB% )
      6.000     4.500     0.000 peak   982 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.054 ppm2      1.749 CV     1
 ASSI {  985}
   (( segid "    " and resid 114  and name HD1 ))
   (( segid "    " and resid 114  and name HD2 ))
      6.000     4.500     0.000 peak   985 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.174 ppm2      3.667 CV     1
 ASSI {  986}
   (( segid "    " and resid 114  and name HD1 ))
   (( segid "    " and resid 114  and name HG2 ))
      6.000     4.500     0.000 peak   986 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.170 ppm2      2.014 CV     1
 ASSI {  987}
   (( segid "    " and resid 114  and name HD1 ))
   (  segid "    " and resid 105  and name HG1%)
      6.000     4.500     0.000 peak   987 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.175 ppm2      1.019 CV     1
 OR {  987}
   (( segid "    " and resid 114  and name HD1 ))
   (  segid "    " and resid 105  and name HG2%)
 ASSI {  988}
   (( segid "    " and resid 114  and name HD1 ))
   (( segid "    " and resid 114  and name HG1 ))
      6.000     4.500     0.000 peak   988 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.156 ppm2      2.429 CV     1
 ASSI {  989}
   (( segid "    " and resid 43   and name HD1 ))
   (( segid "    " and resid 42   and name HA  ))
      6.000     4.500     0.000 peak   989 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.832 ppm2      4.976 CV     1
 OR {  989}
   (( segid "    " and resid 43   and name HD2 ))
   (( segid "    " and resid 42   and name HA  ))
 ASSI {  991}
   (( segid "    " and resid 43   and name HD2 ))
   (( segid "    " and resid 43   and name HB2 ))
      6.000     4.500     0.000 peak   991 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.833 ppm2      2.480 CV     1
 OR {  991}
   (( segid "    " and resid 43   and name HD1 ))
   (( segid "    " and resid 43   and name HB2 ))
 ASSI {  992}
   (( segid "    " and resid 43   and name HD2 ))
   (( segid "    " and resid 43   and name HG2 ))
      6.000     4.500     0.000 peak   992 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.830 ppm2      2.075 CV     1
 OR {  992}
   (( segid "    " and resid 43   and name HD1 ))
   (( segid "    " and resid 43   and name HG2 ))
 ASSI {  993}
   (( segid "    " and resid 43   and name HD2 ))
   (  segid "    " and resid 42   and name HG2%)
      6.000     4.500     0.000 peak   993 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.829 ppm2      1.239 CV     1
 OR {  993}
   (( segid "    " and resid 43   and name HD1 ))
   (  segid "    " and resid 42   and name HG2%)
 ASSI {  996}
   (( segid "    " and resid 114  and name HD2 ))
   (( segid "    " and resid 114  and name HG1 ))
      6.000     4.500     0.000 peak   996 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.660 ppm2      2.440 CV     1
 ASSI {  997}
   (( segid "    " and resid 114  and name HD2 ))
   (  segid "    " and resid 105  and name HG1%)
      6.000     4.500     0.000 peak   997 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.662 ppm2      1.021 CV     1
 OR {  997}
   (( segid "    " and resid 114  and name HD2 ))
   (  segid "    " and resid 105  and name HG2%)
 ASSI {  999}
   (( segid "    " and resid 138  and name HD1 ))
   (( segid "    " and resid 137  and name HB1 ))
      6.000     4.500     0.000 peak   999 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.035 ppm2      3.269 CV     1
 OR {  999}
   (( segid "    " and resid 138  and name HD2 ))
   (( segid "    " and resid 137  and name HB1 ))
 ASSI { 1000}
   (( segid "    " and resid 138  and name HD2 ))
   (( segid "    " and resid 141  and name HA  ))
      6.000     4.500     0.000 peak  1000 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.023 ppm2      4.278 CV     1
 OR { 1000}
   (( segid "    " and resid 138  and name HD1 ))
   (( segid "    " and resid 141  and name HA  ))
 ASSI { 1004}
   (( segid "    " and resid 138  and name HD2 ))
   (( segid "    " and resid 137  and name HB2 ))
      6.000     4.500     0.000 peak  1004 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.005 ppm2      3.364 CV     1
 OR { 1004}
   (( segid "    " and resid 138  and name HD1 ))
   (( segid "    " and resid 137  and name HB2 ))
 ASSI { 1006}
   (( segid "    " and resid 51   and name HD2 ))
   (( segid "    " and resid 51   and name HB1 ))
      6.000     4.500     0.000 peak  1006 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.765 ppm2      2.321 CV     1
 ASSI { 1010}
   (( segid "    " and resid 29   and name HD2 ))
   (( segid "    " and resid 29   and name HD1 ))
      6.000     4.500     0.000 peak  1010 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.636 ppm2      2.733 CV     1
 ASSI { 1011}
   (( segid "    " and resid 29   and name HD2 ))
   (( segid "    " and resid 28   and name HB  ))
      6.000     4.500     0.000 peak  1011 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.634 ppm2      1.532 CV     1
 ASSI { 1012}
   (( segid "    " and resid 29   and name HD2 ))
   (  segid "    " and resid 28   and name HG2%)
      6.000     4.500     0.000 peak  1012 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.636 ppm2      0.595 CV     1
 ASSI { 1013}
   (( segid "    " and resid 29   and name HD2 ))
   (( segid "    " and resid 64   and name HG  ))
      6.000     4.500     0.000 peak  1013 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.628 ppm2      0.751 CV     1
 ASSI { 1015}
   (( segid "    " and resid 51   and name HD1 ))
   (( segid "    " and resid 51   and name HB2 ))
      6.000     4.500     0.000 peak  1015 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.538 ppm2      2.014 CV     1
 ASSI { 1016}
   (( segid "    " and resid 51   and name HD1 ))
   (( segid "    " and resid 51   and name HB1 ))
      6.000     4.500     0.000 peak  1016 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.533 ppm2      2.317 CV     1
 ASSI { 1017}
   (( segid "    " and resid 51   and name HD1 ))
   (( segid "    " and resid 51   and name HG1 ))
      6.000     4.500     0.000 peak  1017 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.535 ppm2      1.877 CV     1
 OR { 1017}
   (( segid "    " and resid 51   and name HD1 ))
   (( segid "    " and resid 51   and name HG2 ))
 ASSI { 1022}
   (( segid "    " and resid 29   and name HD1 ))
   (( segid "    " and resid 29   and name HG1 ))
      6.000     4.500     0.000 peak  1022 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.735 ppm2      2.003 CV     1
 OR { 1022}
   (( segid "    " and resid 29   and name HD1 ))
   (( segid "    " and resid 29   and name HG2 ))
 ASSI { 1024}
   (( segid "    " and resid 29   and name HD1 ))
   (  segid "    " and resid 28   and name HG2%)
      6.000     4.500     0.000 peak  1024 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.734 ppm2      0.598 CV     1
 ASSI { 1027}
   (( segid "    " and resid 65   and name HA  ))
   (( segid "    " and resid 66   and name HD1 ))
      6.000     4.500     0.000 peak  1027 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.595 ppm2      3.403 CV     1
 ASSI { 1028}
   (( segid "    " and resid 65   and name HA  ))
   (( segid "    " and resid 65   and name HN  ))
      6.000     4.500     0.000 peak  1028 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.586 ppm2      8.385 CV     1
 ASSI { 1029}
   (( segid "    " and resid 65   and name HA  ))
   (( segid "    " and resid 66   and name HD2 ))
      6.000     4.500     0.000 peak  1029 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.588 ppm2      3.598 CV     1
 ASSI { 1030}
   (( segid "    " and resid 65   and name HA  ))
   (  segid "    " and resid 65   and name HB% )
      6.000     4.500     0.000 peak  1030 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.587 ppm2      1.432 CV     1
 ASSI { 1032}
   (( segid "    " and resid 14   and name HD1 ))
   (( segid "    " and resid 11   and name HN  ))
      6.000     4.500     0.000 peak  1032 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.015 ppm2      7.319 CV     1
 OR { 1032}
   (( segid "    " and resid 14   and name HD2 ))
   (( segid "    " and resid 11   and name HN  ))
 ASSI { 1034}
   (( segid "    " and resid 44   and name HD1 ))
   (( segid "    " and resid 43   and name HB2 ))
      6.000     4.500     0.000 peak  1034 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.956 ppm2      2.475 CV     1
 ASSI { 1037}
   (( segid "    " and resid 44   and name HD1 ))
   (( segid "    " and resid 43   and name HB1 ))
      6.000     4.500     0.000 peak  1037 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.948 ppm2      1.984 CV     1
 ASSI { 1039}
   (( segid "    " and resid 44   and name HD2 ))
   (( segid "    " and resid 43   and name HB2 ))
      6.000     4.500     0.000 peak  1039 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.733 ppm2      2.480 CV     1
 ASSI { 1050}
   (( segid "    " and resid 127  and name HD1 ))
   (( segid "    " and resid 127  and name HB1 ))
      6.000     4.500     0.000 peak  1050 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.156 ppm2      2.611 CV     1
 ASSI { 1065}
   (( segid "    " and resid 127  and name HD1 ))
   (( segid "    " and resid 126  and name HN  ))
      6.000     4.500     0.000 peak  1065 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.168 ppm2      8.724 CV     1
 ASSI { 1068}
   (( segid "    " and resid 91   and name HD1 ))
   (( segid "    " and resid 91   and name HB2 ))
      6.000     4.500     0.000 peak  1068 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.580 ppm2      2.247 CV     1
 ASSI { 1071}
   (( segid "    " and resid 133  and name HD2 ))
   (( segid "    " and resid 133  and name HD1 ))
      6.000     4.500     0.000 peak  1071 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.422 ppm2      3.102 CV     1
 ASSI { 1072}
   (( segid "    " and resid 133  and name HD2 ))
   (  segid "    " and resid 132  and name HB% )
      6.000     4.500     0.000 peak  1072 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.404 ppm2      0.987 CV     1
 ASSI { 1075}
   (( segid "    " and resid 133  and name HD1 ))
   (( segid "    " and resid 133  and name HG1 ))
      6.000     4.500     0.000 peak  1075 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.102 ppm2      1.783 CV     1
 OR { 1075}
   (( segid "    " and resid 133  and name HD1 ))
   (( segid "    " and resid 133  and name HG2 ))
 ASSI { 1076}
   (( segid "    " and resid 133  and name HD1 ))
   (( segid "    " and resid 133  and name HB1 ))
      6.000     4.500     0.000 peak  1076 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.100 ppm2      1.596 CV     1
 ASSI { 1077}
   (( segid "    " and resid 133  and name HD1 ))
   (  segid "    " and resid 132  and name HB% )
      6.000     4.500     0.000 peak  1077 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.100 ppm2      0.990 CV     1
 ASSI { 1078}
   (( segid "    " and resid 66   and name HD2 ))
   (( segid "    " and resid 67   and name HN  ))
      6.000     4.500     0.000 peak  1078 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.607 ppm2      8.721 CV     1
 ASSI { 1079}
   (( segid "    " and resid 66   and name HD2 ))
   (  segid "    " and resid 65   and name HB% )
      6.000     4.500     0.000 peak  1079 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.604 ppm2      1.433 CV     1
 ASSI { 1080}
   (( segid "    " and resid 66   and name HD2 ))
   (( segid "    " and resid 66   and name HB2 ))
      6.000     4.500     0.000 peak  1080 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.603 ppm2      1.273 CV     1
 ASSI { 1081}
   (( segid "    " and resid 66   and name HD2 ))
   (( segid "    " and resid 66   and name HB1 ))
      6.000     4.500     0.000 peak  1081 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.610 ppm2      0.524 CV     1
 ASSI { 1083}
   (( segid "    " and resid 66   and name HD2 ))
   (( segid "    " and resid 66   and name HD1 ))
      6.000     4.500     0.000 peak  1083 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.601 ppm2      3.406 CV     1
 ASSI { 1084}
   (( segid "    " and resid 66   and name HD2 ))
   (( segid "    " and resid 66   and name HG2 ))
      6.000     4.500     0.000 peak  1084 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.598 ppm2      1.717 CV     1
 ASSI { 1085}
   (( segid "    " and resid 66   and name HD2 ))
   (( segid "    " and resid 66   and name HG1 ))
      6.000     4.500     0.000 peak  1085 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.600 ppm2      0.763 CV     1
 ASSI { 1089}
   (( segid "    " and resid 133  and name HD2 ))
   (( segid "    " and resid 133  and name HB1 ))
      6.000     4.500     0.000 peak  1089 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.409 ppm2      1.599 CV     1
 ASSI { 1090}
   (( segid "    " and resid 66   and name HD1 ))
   (( segid "    " and resid 66   and name HB2 ))
      6.000     4.500     0.000 peak  1090 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.409 ppm2      1.267 CV     1
 ASSI { 1092}
   (( segid "    " and resid 66   and name HD1 ))
   (( segid "    " and resid 66   and name HB1 ))
      6.000     4.500     0.000 peak  1092 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.411 ppm2      0.532 CV     1
 ASSI { 1096}
   (( segid "    " and resid 66   and name HD1 ))
   (  segid "    " and resid 65   and name HB% )
      6.000     4.500     0.000 peak  1096 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.407 ppm2      1.436 CV     1
 ASSI { 1097}
   (( segid "    " and resid 66   and name HD1 ))
   (( segid "    " and resid 66   and name HG1 ))
      6.000     4.500     0.000 peak  1097 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.402 ppm2      0.770 CV     1
 ASSI { 1102}
   (( segid "    " and resid 133  and name HD1 ))
   (( segid "    " and resid 133  and name HB2 ))
      6.000     4.500     0.000 peak  1102 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.111 ppm2      1.488 CV     1
 ASSI { 1105}
   (( segid "    " and resid 100  and name HB2 ))
   (  segid "    " and resid 4    and name HD% )
      6.000     4.500     0.000 peak  1105 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.992 ppm2      6.816 CV     1
 ASSI { 1106}
   (( segid "    " and resid 100  and name HB2 ))
   (( segid "    " and resid 100  and name HG  ))
      6.000     4.500     0.000 peak  1106 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.997 ppm2      1.615 CV     1
 ASSI { 1107}
   (( segid "    " and resid 100  and name HB2 ))
   (  segid "    " and resid 100  and name HD2%)
      6.000     4.500     0.000 peak  1107 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.991 ppm2      1.050 CV     1
 ASSI { 1108}
   (( segid "    " and resid 100  and name HB2 ))
   (  segid "    " and resid 100  and name HD1%)
      6.000     4.500     0.000 peak  1108 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.991 ppm2      0.657 CV     1
 ASSI { 1110}
   (( segid "    " and resid 100  and name HB1 ))
   (  segid "    " and resid 100  and name HD1%)
      6.000     4.500     0.000 peak  1110 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.794 ppm2      0.656 CV     1
 ASSI { 1113}
   (( segid "    " and resid 122  and name HA2 ))
   (( segid "    " and resid 126  and name HN  ))
      6.000     4.500     0.000 peak  1113 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.082 ppm2      8.736 CV     1
 ASSI { 1115}
   (( segid "    " and resid 122  and name HA2 ))
   (( segid "    " and resid 126  and name HD1 ))
      6.000     4.500     0.000 peak  1115 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.075 ppm2      6.779 CV     1
 ASSI { 1116}
   (( segid "    " and resid 122  and name HA2 ))
   (( segid "    " and resid 122  and name HA1 ))
      6.000     4.500     0.000 peak  1116 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.075 ppm2      2.802 CV     1
 ASSI { 1122}
   (( segid "    " and resid 122  and name HA1 ))
   (( segid "    " and resid 126  and name HD1 ))
      6.000     4.500     0.000 peak  1122 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.810 ppm2      6.784 CV     1
 ASSI { 1123}
   (( segid "    " and resid 122  and name HA1 ))
   (( segid "    " and resid 125  and name HG  ))
      6.000     4.500     0.000 peak  1123 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.818 ppm2      0.328 CV     1
 ASSI { 1127}
   (( segid "    " and resid 122  and name HA1 ))
   (  segid "    " and resid 147  and name HD2%)
      6.000     4.500     0.000 peak  1127 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.803 ppm2     -0.564 CV     1
 ASSI { 1130}
   (( segid "    " and resid 60   and name HB1 ))
   (( segid "    " and resid 60   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      9.316 CV     1
 ASSI { 1131}
   (( segid "    " and resid 60   and name HB1 ))
   (( segid "    " and resid 60   and name HB2 ))
      6.000     4.500     0.000 peak  1131 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.809 ppm2      0.995 CV     1
 ASSI { 1132}
   (( segid "    " and resid 60   and name HB1 ))
   (  segid "    " and resid 60   and name HD1%)
      6.000     4.500     0.000 peak  1132 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.807 ppm2      0.712 CV     1
 ASSI { 1133}
   (( segid "    " and resid 60   and name HB1 ))
   (( segid "    " and resid 25   and name HB2 ))
      6.000     4.500     0.000 peak  1133 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.805 ppm2      1.243 CV     1
 ASSI { 1134}
   (( segid "    " and resid 60   and name HB2 ))
   (( segid "    " and resid 60   and name HN  ))
      6.000     4.500     0.000 peak  1134 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.003 ppm2      9.319 CV     1
 ASSI { 1142}
   (( segid "    " and resid 81   and name HA1 ))
   (( segid "    " and resid 94   and name HB1 ))
      6.000     4.500     0.000 peak  1142 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.144 ppm2      1.694 CV     1
 ASSI { 1146}
   (( segid "    " and resid 94   and name HB1 ))
   (  segid "    " and resid 94   and name HD2%)
      6.000     4.500     0.000 peak  1146 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.706 ppm2      0.744 CV     1
 OR { 1146}
   (( segid "    " and resid 94   and name HB1 ))
   (  segid "    " and resid 94   and name HD1%)
 ASSI { 1148}
   (( segid "    " and resid 94   and name HB2 ))
   (( segid "    " and resid 94   and name HG  ))
      6.000     4.500     0.000 peak  1148 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.392 ppm2      0.760 CV     1
 ASSI { 1150}
   (( segid "    " and resid 94   and name HB2 ))
   (( segid "    " and resid 94   and name HB1 ))
      6.000     4.500     0.000 peak  1150 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.395 ppm2      1.698 CV     1
 ASSI { 1152}
   (( segid "    " and resid 111  and name HB1 ))
   (  segid "    " and resid 111  and name HD1%)
      6.000     4.500     0.000 peak  1152 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.298 ppm2      0.317 CV     1
 ASSI { 1155}
   (( segid "    " and resid 26   and name HA1 ))
   (( segid "    " and resid 33   and name HN  ))
      6.000     4.500     0.000 peak  1155 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.905 ppm2      9.151 CV     1
 ASSI { 1156}
   (( segid "    " and resid 26   and name HA1 ))
   (( segid "    " and resid 26   and name HN  ))
      6.000     4.500     0.000 peak  1156 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.909 ppm2      7.572 CV     1
 ASSI { 1157}
   (( segid "    " and resid 26   and name HA1 ))
   (  segid "    " and resid 33   and name HD1%)
      6.000     4.500     0.000 peak  1157 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.910 ppm2      0.858 CV     1
 ASSI { 1158}
   (( segid "    " and resid 26   and name HA2 ))
   (( segid "    " and resid 27   and name HN  ))
      6.000     4.500     0.000 peak  1158 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.894 ppm2      7.320 CV     1
 ASSI { 1159}
   (( segid "    " and resid 26   and name HA2 ))
   (( segid "    " and resid 33   and name HG12))
      6.000     4.500     0.000 peak  1159 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.895 ppm2      1.559 CV     1
 OR { 1159}
   (( segid "    " and resid 26   and name HA2 ))
   (( segid "    " and resid 33   and name HG11))
 ASSI { 1160}
   (( segid "    " and resid 26   and name HA2 ))
   (( segid "    " and resid 26   and name HN  ))
      6.000     4.500     0.000 peak  1160 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.868 ppm2      7.576 CV     1
 ASSI { 1166}
   (( segid "    " and resid 111  and name HB1 ))
   (( segid "    " and resid 111  and name HB2 ))
      6.000     4.500     0.000 peak  1166 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.294 ppm2      0.891 CV     1
 ASSI { 1170}
   (( segid "    " and resid 111  and name HB2 ))
   (  segid "    " and resid 111  and name HD1%)
      6.000     4.500     0.000 peak  1170 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.888 ppm2      0.314 CV     1
 ASSI { 1172}
   (( segid "    " and resid 140  and name HA2 ))
   (( segid "    " and resid 141  and name HN  ))
      6.000     4.500     0.000 peak  1172 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.398 ppm2      7.990 CV     1
 ASSI { 1174}
   (( segid "    " and resid 140  and name HA2 ))
   (( segid "    " and resid 140  and name HA1 ))
      6.000     4.500     0.000 peak  1174 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.392 ppm2      3.511 CV     1
 ASSI { 1185}
   (( segid "    " and resid 55   and name HB1 ))
   (( segid "    " and resid 55   and name HB2 ))
      6.000     4.500     0.000 peak  1185 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.153 ppm2      2.404 CV     1
 ASSI { 1186}
   (( segid "    " and resid 55   and name HB2 ))
   (  segid "    " and resid 40   and name HD% )
      6.000     4.500     0.000 peak  1186 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.411 ppm2      7.123 CV     1
 ASSI { 1193}
   (( segid "    " and resid 8    and name HA1 ))
   (( segid "    " and resid 55   and name HA  ))
      6.000     4.500     0.000 peak  1193 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.742 ppm2      6.128 CV     1
 ASSI { 1194}
   (( segid "    " and resid 8    and name HA1 ))
   (( segid "    " and resid 8    and name HA2 ))
      6.000     4.500     0.000 peak  1194 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.743 ppm2      3.754 CV     1
 ASSI { 1213}
   (( segid "    " and resid 121  and name HD2 ))
   (( segid "    " and resid 121  and name HB1 ))
      6.000     4.500     0.000 peak  1213 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.436 ppm2      0.955 CV     1
 ASSI { 1214}
   (( segid "    " and resid 121  and name HD2 ))
   (( segid "    " and resid 121  and name HG1 ))
      6.000     4.500     0.000 peak  1214 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.427 ppm2      1.390 CV     1
 ASSI { 1216}
   (( segid "    " and resid 46   and name HA2 ))
   (( segid "    " and resid 47   and name HD1 ))
      6.000     4.500     0.000 peak  1216 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.256 ppm2      3.671 CV     1
 OR { 1216}
   (( segid "    " and resid 46   and name HA2 ))
   (( segid "    " and resid 47   and name HD2 ))
 ASSI { 1217}
   (( segid "    " and resid 46   and name HA2 ))
   (( segid "    " and resid 47   and name HG1 ))
      6.000     4.500     0.000 peak  1217 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.265 ppm2      2.028 CV     1
 OR { 1217}
   (( segid "    " and resid 46   and name HA2 ))
   (( segid "    " and resid 47   and name HG2 ))
 ASSI { 1218}
   (( segid "    " and resid 46   and name HA2 ))
   (( segid "    " and resid 46   and name HA1 ))
      6.000     4.500     0.000 peak  1218 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.249 ppm2      3.870 CV     1
 ASSI { 1220}
   (( segid "    " and resid 46   and name HA1 ))
   (( segid "    " and resid 47   and name HD1 ))
      6.000     4.500     0.000 peak  1220 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.866 ppm2      3.663 CV     1
 OR { 1220}
   (( segid "    " and resid 46   and name HA1 ))
   (( segid "    " and resid 47   and name HD2 ))
 ASSI { 1221}
   (( segid "    " and resid 46   and name HA1 ))
   (( segid "    " and resid 47   and name HG1 ))
      6.000     4.500     0.000 peak  1221 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.866 ppm2      2.015 CV     1
 OR { 1221}
   (( segid "    " and resid 46   and name HA1 ))
   (( segid "    " and resid 47   and name HG2 ))
 ASSI { 1222}
   (( segid "    " and resid 11   and name HB2 ))
   (( segid "    " and resid 11   and name HG  ))
      6.000     4.500     0.000 peak  1222 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.268 ppm2      0.882 CV     1
 OR { 1222}
   (( segid "    " and resid 11   and name HB1 ))
   (( segid "    " and resid 11   and name HG  ))
 ASSI { 1229}
   (( segid "    " and resid 117  and name HB2 ))
   (( segid "    " and resid 120  and name HD22))
      6.000     4.500     0.000 peak  1229 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.602 ppm2      6.880 CV     1
 ASSI { 1231}
   (( segid "    " and resid 117  and name HB2 ))
   (( segid "    " and resid 117  and name HB1 ))
      6.000     4.500     0.000 peak  1231 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.590 ppm2      0.856 CV     1
 ASSI { 1237}
   (( segid "    " and resid 54   and name HB2 ))
   (  segid "    " and resid 54   and name HD1%)
      6.000     4.500     0.000 peak  1237 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.937 ppm2     -0.519 CV     1
 ASSI { 1238}
   (( segid "    " and resid 54   and name HB2 ))
   (( segid "    " and resid 54   and name HB1 ))
      6.000     4.500     0.000 peak  1238 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.931 ppm2      0.630 CV     1
 ASSI { 1239}
   (( segid "    " and resid 54   and name HB2 ))
   (  segid "    " and resid 54   and name HD2%)
      6.000     4.500     0.000 peak  1239 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.918 ppm2      0.184 CV     1
 ASSI { 1243}
   (( segid "    " and resid 117  and name HB1 ))
   (( segid "    " and resid 120  and name HD22))
      6.000     4.500     0.000 peak  1243 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.864 ppm2      6.881 CV     1
 ASSI { 1268}
   (( segid "    " and resid 155  and name HB2 ))
   (  segid "    " and resid 40   and name HD% )
      6.000     4.500     0.000 peak  1268 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.494 ppm2      7.130 CV     1
 ASSI { 1274}
   (( segid "    " and resid 144  and name HD1 ))
   (( segid "    " and resid 144  and name HB1 ))
      6.000     4.500     0.000 peak  1274 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.259 ppm2      2.119 CV     1
 OR { 1274}
   (( segid "    " and resid 144  and name HD2 ))
   (( segid "    " and resid 144  and name HB1 ))
 ASSI { 1275}
   (( segid "    " and resid 144  and name HD1 ))
   (( segid "    " and resid 144  and name HG2 ))
      6.000     4.500     0.000 peak  1275 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.258 ppm2      1.591 CV     1
 OR { 1275}
   (( segid "    " and resid 144  and name HD2 ))
   (( segid "    " and resid 144  and name HG2 ))
 ASSI { 1279}
   (( segid "    " and resid 75   and name HD1 ))
   (( segid "    " and resid 75   and name HA  ))
      6.000     4.500     0.000 peak  1279 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.177 ppm2      4.138 CV     1
 ASSI { 1285}
   (( segid "    " and resid 75   and name HD1 ))
   (( segid "    " and resid 75   and name HG1 ))
      6.000     4.500     0.000 peak  1285 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.158 ppm2      1.625 CV     1
 ASSI { 1293}
   (( segid "    " and resid 155  and name HB1 ))
   (( segid "    " and resid 155  and name HN  ))
      6.000     4.500     0.000 peak  1293 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.705 ppm2      7.421 CV     1
 ASSI { 1294}
   (( segid "    " and resid 155  and name HB1 ))
   (  segid "    " and resid 40   and name HD% )
      6.000     4.500     0.000 peak  1294 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.702 ppm2      7.134 CV     1
 ASSI { 1295}
   (( segid "    " and resid 34   and name HB1 ))
   (( segid "    " and resid 34   and name HN  ))
      6.000     4.500     0.000 peak  1295 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.647 ppm2      9.154 CV     1
 ASSI { 1299}
   (( segid "    " and resid 34   and name HB2 ))
   (( segid "    " and resid 34   and name HG  ))
      6.000     4.500     0.000 peak  1299 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.522 ppm2      0.807 CV     1
 ASSI { 1308}
   (( segid "    " and resid 41   and name HD2 ))
   (( segid "    " and resid 41   and name HG1 ))
      6.000     4.500     0.000 peak  1308 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.185 ppm2      1.143 CV     1
 ASSI { 1310}
   (( segid "    " and resid 75   and name HD1 ))
   (( segid "    " and resid 75   and name HB1 ))
      6.000     4.500     0.000 peak  1310 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.169 ppm2      2.262 CV     1
 ASSI { 1311}
   (( segid "    " and resid 41   and name HD1 ))
   (( segid "    " and resid 41   and name HG2 ))
      6.000     4.500     0.000 peak  1311 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.758 ppm2      1.502 CV     1
 ASSI { 1313}
   (( segid "    " and resid 41   and name HD1 ))
   (( segid "    " and resid 41   and name HD2 ))
      6.000     4.500     0.000 peak  1313 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.746 ppm2      3.179 CV     1
 ASSI { 1314}
   (( segid "    " and resid 41   and name HD1 ))
   (( segid "    " and resid 41   and name HG1 ))
      6.000     4.500     0.000 peak  1314 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.737 ppm2      1.124 CV     1
 ASSI { 1315}
   (( segid "    " and resid 96   and name HB1 ))
   (( segid "    " and resid 96   and name HB2 ))
      6.000     4.500     0.000 peak  1315 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.062 ppm2      0.981 CV     1
 ASSI { 1316}
   (( segid "    " and resid 34   and name HB1 ))
   (( segid "    " and resid 34   and name HG  ))
      6.000     4.500     0.000 peak  1316 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.637 ppm2      0.810 CV     1
 ASSI { 1318}
   (( segid "    " and resid 64   and name HB2 ))
   (( segid "    " and resid 64   and name HA  ))
      6.000     4.500     0.000 peak  1318 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.489 ppm2      4.216 CV     1
 ASSI { 1323}
   (( segid "    " and resid 125  and name HB2 ))
   (( segid "    " and resid 125  and name HG  ))
      6.000     4.500     0.000 peak  1323 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.066 ppm2      0.327 CV     1
 ASSI { 1325}
   (( segid "    " and resid 125  and name HB2 ))
   (  segid "    " and resid 125  and name HD1%)
      6.000     4.500     0.000 peak  1325 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.058 ppm2      0.449 CV     1
 ASSI { 1327}
   (( segid "    " and resid 125  and name HB2 ))
   (  segid "    " and resid 147  and name HD2%)
      6.000     4.500     0.000 peak  1327 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.046 ppm2     -0.559 CV     1
 ASSI { 1328}
   (( segid "    " and resid 96   and name HB2 ))
   (( segid "    " and resid 96   and name HA  ))
      6.000     4.500     0.000 peak  1328 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.969 ppm2      5.438 CV     1
 ASSI { 1330}
   (( segid "    " and resid 96   and name HB2 ))
   (( segid "    " and resid 96   and name HG  ))
      6.000     4.500     0.000 peak  1330 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.961 ppm2      1.635 CV     1
 ASSI { 1333}
   (( segid "    " and resid 96   and name HB2 ))
   (  segid "    " and resid 70   and name HD1%)
      6.000     4.500     0.000 peak  1333 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.962 ppm2      0.450 CV     1
 ASSI { 1334}
   (( segid "    " and resid 125  and name HB1 ))
   (( segid "    " and resid 125  and name HA  ))
      6.000     4.500     0.000 peak  1334 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.933 ppm2      3.824 CV     1
 ASSI { 1335}
   (( segid "    " and resid 125  and name HB1 ))
   (( segid "    " and resid 125  and name HG  ))
      6.000     4.500     0.000 peak  1335 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.925 ppm2      0.319 CV     1
 ASSI { 1337}
   (( segid "    " and resid 41   and name HD1 ))
   (( segid "    " and resid 41   and name HB2 ))
      6.000     4.500     0.000 peak  1337 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.753 ppm2      1.691 CV     1
 OR { 1337}
   (( segid "    " and resid 41   and name HD1 ))
   (( segid "    " and resid 41   and name HB1 ))
 ASSI { 1338}
   (( segid "    " and resid 25   and name HB1 ))
   (( segid "    " and resid 5    and name HB  ))
      6.000     4.500     0.000 peak  1338 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.122 ppm2      1.701 CV     1
 ASSI { 1339}
   (( segid "    " and resid 25   and name HB1 ))
   (  segid "    " and resid 7    and name HD1%)
      6.000     4.500     0.000 peak  1339 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.125 ppm2      0.689 CV     1
 ASSI { 1340}
   (( segid "    " and resid 64   and name HB1 ))
   (( segid "    " and resid 64   and name HA  ))
      6.000     4.500     0.000 peak  1340 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.747 ppm2      4.206 CV     1
 ASSI { 1342}
   (( segid "    " and resid 64   and name HB1 ))
   (  segid "    " and resid 64   and name HD2%)
      6.000     4.500     0.000 peak  1342 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.732 ppm2      0.727 CV     1
 OR { 1342}
   (( segid "    " and resid 64   and name HB1 ))
   (  segid "    " and resid 64   and name HD1%)
 OR { 1342}
   (( segid "    " and resid 64   and name HB1 ))
   (( segid "    " and resid 64   and name HG  ))
 ASSI { 1343}
   (( segid "    " and resid 135  and name HB2 ))
   (  segid "    " and resid 135  and name HD1%)
      6.000     4.500     0.000 peak  1343 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.728 ppm2      0.080 CV     1
 ASSI { 1345}
   (( segid "    " and resid 135  and name HB2 ))
   (( segid "    " and resid 135  and name HN  ))
      6.000     4.500     0.000 peak  1345 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.723 ppm2      7.238 CV     1
 ASSI { 1349}
   (( segid "    " and resid 135  and name HB2 ))
   (( segid "    " and resid 135  and name HB1 ))
      6.000     4.500     0.000 peak  1349 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.721 ppm2      1.305 CV     1
 ASSI { 1350}
   (( segid "    " and resid 135  and name HB2 ))
   (  segid "    " and resid 135  and name HD2%)
      6.000     4.500     0.000 peak  1350 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.723 ppm2      0.370 CV     1
 ASSI { 1353}
   (( segid "    " and resid 45   and name HB1 ))
   (( segid "    " and resid 45   and name HA  ))
      6.000     4.500     0.000 peak  1353 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.597 ppm2      4.428 CV     1
 OR { 1353}
   (( segid "    " and resid 45   and name HB2 ))
   (( segid "    " and resid 45   and name HA  ))
 ASSI { 1355}
   (( segid "    " and resid 45   and name HB1 ))
   (  segid "    " and resid 45   and name HD1%)
      6.000     4.500     0.000 peak  1355 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.607 ppm2      0.871 CV     1
 OR { 1355}
   (( segid "    " and resid 45   and name HB2 ))
   (  segid "    " and resid 45   and name HD1%)
 ASSI { 1367}
   (( segid "    " and resid 150  and name HD1 ))
   (( segid "    " and resid 119  and name HB1 ))
      6.000     4.500     0.000 peak  1367 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.095 ppm2      1.455 CV     1
 OR { 1367}
   (( segid "    " and resid 150  and name HD1 ))
   (( segid "    " and resid 119  and name HE2 ))
 ASSI { 1368}
   (( segid "    " and resid 150  and name HD1 ))
   (( segid "    " and resid 150  and name HB1 ))
      6.000     4.500     0.000 peak  1368 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.096 ppm2      1.261 CV     1
 ASSI { 1373}
   (( segid "    " and resid 150  and name HD1 ))
   (( segid "    " and resid 150  and name HB2 ))
      6.000     4.500     0.000 peak  1373 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.094 ppm2      0.906 CV     1
 ASSI { 1374}
   (( segid "    " and resid 23   and name HE1 ))
   (( segid "    " and resid 23   and name HD2 ))
      6.000     4.500     0.000 peak  1374 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.988 ppm2      1.678 CV     1
 OR { 1374}
   (( segid "    " and resid 23   and name HE2 ))
   (( segid "    " and resid 23   and name HD2 ))
 OR { 1374}
   (( segid "    " and resid 23   and name HE1 ))
   (( segid "    " and resid 23   and name HD1 ))
 OR { 1374}
   (( segid "    " and resid 23   and name HE2 ))
   (( segid "    " and resid 23   and name HD1 ))
 ASSI { 1376}
   (( segid "    " and resid 157  and name HE2 ))
   (( segid "    " and resid 157  and name HG1 ))
      6.000     4.500     0.000 peak  1376 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.959 ppm2      1.541 CV     1
 OR { 1376}
   (( segid "    " and resid 157  and name HE1 ))
   (( segid "    " and resid 157  and name HG1 ))
 ASSI { 1377}
   (( segid "    " and resid 150  and name HD2 ))
   (( segid "    " and resid 150  and name HG1 ))
      6.000     4.500     0.000 peak  1377 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.962 ppm2      1.423 CV     1
 ASSI { 1378}
   (( segid "    " and resid 157  and name HE1 ))
   (  segid "    " and resid 40   and name HD% )
      6.000     4.500     0.000 peak  1378 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.945 ppm2      7.147 CV     1
 OR { 1378}
   (( segid "    " and resid 157  and name HE2 ))
   (  segid "    " and resid 40   and name HD% )
 ASSI { 1387}
   (( segid "    " and resid 25   and name HB1 ))
   (( segid "    " and resid 25   and name HB2 ))
      6.000     4.500     0.000 peak  1387 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.129 ppm2      1.231 CV     1
 ASSI { 1388}
   (( segid "    " and resid 25   and name HB1 ))
   (  segid "    " and resid 25   and name HD2%)
      6.000     4.500     0.000 peak  1388 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.127 ppm2      0.827 CV     1
 OR { 1388}
   (( segid "    " and resid 25   and name HB1 ))
   (  segid "    " and resid 25   and name HD1%)
 ASSI { 1389}
   (( segid "    " and resid 128  and name HB1 ))
   (( segid "    " and resid 128  and name HG  ))
      6.000     4.500     0.000 peak  1389 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.003 ppm2      0.267 CV     1
 ASSI { 1391}
   (( segid "    " and resid 128  and name HB1 ))
   (( segid "    " and resid 128  and name HB2 ))
      6.000     4.500     0.000 peak  1391 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.976 ppm2      1.200 CV     1
 ASSI { 1392}
   (( segid "    " and resid 128  and name HB1 ))
   (  segid "    " and resid 128  and name HD2%)
      6.000     4.500     0.000 peak  1392 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.979 ppm2      0.570 CV     1
 OR { 1392}
   (( segid "    " and resid 128  and name HB1 ))
   (  segid "    " and resid 128  and name HD1%)
 ASSI { 1401}
   (( segid "    " and resid 135  and name HB1 ))
   (  segid "    " and resid 135  and name HD2%)
      6.000     4.500     0.000 peak  1401 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.308 ppm2      0.377 CV     1
 ASSI { 1402}
   (( segid "    " and resid 135  and name HB1 ))
   (  segid "    " and resid 135  and name HD1%)
      6.000     4.500     0.000 peak  1402 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.307 ppm2      0.084 CV     1
 ASSI { 1408}
   (( segid "    " and resid 25   and name HB2 ))
   (  segid "    " and resid 25   and name HD1%)
      6.000     4.500     0.000 peak  1408 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.231 ppm2      0.828 CV     1
 OR { 1408}
   (( segid "    " and resid 25   and name HB2 ))
   (  segid "    " and resid 25   and name HD2%)
 ASSI { 1409}
   (( segid "    " and resid 128  and name HB2 ))
   (( segid "    " and resid 129  and name HN  ))
      6.000     4.500     0.000 peak  1409 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.213 ppm2      8.631 CV     1
 ASSI { 1412}
   (( segid "    " and resid 128  and name HB2 ))
   (  segid "    " and resid 128  and name HD2%)
      6.000     4.500     0.000 peak  1412 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.207 ppm2      0.572 CV     1
 OR { 1412}
   (( segid "    " and resid 128  and name HB2 ))
   (  segid "    " and resid 128  and name HD1%)
 ASSI { 1414}
   (( segid "    " and resid 128  and name HB2 ))
   (( segid "    " and resid 128  and name HG  ))
      6.000     4.500     0.000 peak  1414 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.200 ppm2      0.275 CV     1
 ASSI { 1415}
   (( segid "    " and resid 157  and name HE1 ))
   (( segid "    " and resid 126  and name HD1 ))
      6.000     4.500     0.000 peak  1415 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.958 ppm2      6.770 CV     1
 OR { 1415}
   (( segid "    " and resid 157  and name HE2 ))
   (( segid "    " and resid 126  and name HD1 ))
 ASSI { 1426}
   (( segid "    " and resid 52   and name HB2 ))
   (( segid "    " and resid 11   and name HN  ))
      6.000     4.500     0.000 peak  1426 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.428 ppm2      7.304 CV     1
 ASSI { 1431}
   (( segid "    " and resid 22   and name HB2 ))
   (  segid "    " and resid 7    and name HD1%)
      6.000     4.500     0.000 peak  1431 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.070 ppm2      0.694 CV     1
 ASSI { 1432}
   (( segid "    " and resid 128  and name HB1 ))
   (( segid "    " and resid 129  and name HN  ))
      6.000     4.500     0.000 peak  1432 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.989 ppm2      8.599 CV     1
 ASSI { 1438}
   (( segid "    " and resid 78   and name HB1 ))
   (( segid "    " and resid 78   and name HN  ))
      6.000     4.500     0.000 peak  1438 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.860 ppm2      7.610 CV     1
 ASSI { 1440}
   (( segid "    " and resid 78   and name HB1 ))
   (  segid "    " and resid 78   and name HD2%)
      6.000     4.500     0.000 peak  1440 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.859 ppm2      0.807 CV     1
 OR { 1440}
   (( segid "    " and resid 78   and name HB1 ))
   (  segid "    " and resid 78   and name HD1%)
 ASSI { 1441}
   (( segid "    " and resid 78   and name HB1 ))
   (( segid "    " and resid 79   and name HN  ))
      6.000     4.500     0.000 peak  1441 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.855 ppm2      8.603 CV     1
 ASSI { 1442}
   (( segid "    " and resid 78   and name HB1 ))
   (( segid "    " and resid 78   and name HB2 ))
      6.000     4.500     0.000 peak  1442 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.857 ppm2      1.533 CV     1
 ASSI { 1443}
   (( segid "    " and resid 5    and name HB  ))
   (( segid "    " and resid 58   and name HN  ))
      6.000     4.500     0.000 peak  1443 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.743 ppm2      9.148 CV     1
 ASSI { 1444}
   (( segid "    " and resid 5    and name HB  ))
   (( segid "    " and resid 5    and name HN  ))
      6.000     4.500     0.000 peak  1444 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.732 ppm2      9.525 CV     1
 ASSI { 1450}
   (( segid "    " and resid 78   and name HB2 ))
   (( segid "    " and resid 79   and name HN  ))
      6.000     4.500     0.000 peak  1450 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.532 ppm2      8.599 CV     1
 ASSI { 1453}
   (( segid "    " and resid 22   and name HB1 ))
   (( segid "    " and resid 22   and name HG  ))
      6.000     4.500     0.000 peak  1453 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.433 ppm2      1.853 CV     1
 ASSI { 1454}
   (( segid "    " and resid 106  and name HB  ))
   (  segid "    " and resid 108  and name HG2%)
      6.000     4.500     0.000 peak  1454 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.434 ppm2      1.187 CV     1
 ASSI { 1457}
   (( segid "    " and resid 106  and name HB  ))
   (  segid "    " and resid 106  and name HD1%)
      6.000     4.500     0.000 peak  1457 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.426 ppm2      0.612 CV     1
 ASSI { 1461}
   (( segid "    " and resid 27   and name HB1 ))
   (( segid "    " and resid 27   and name HB2 ))
      6.000     4.500     0.000 peak  1461 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.904 ppm2      2.567 CV     1
 ASSI { 1462}
   (( segid "    " and resid 27   and name HB1 ))
   (( segid "    " and resid 24   and name HA  ))
      6.000     4.500     0.000 peak  1462 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.895 ppm2      4.169 CV     1
 ASSI { 1467}
   (( segid "    " and resid 27   and name HB2 ))
   (( segid "    " and resid 24   and name HA  ))
      6.000     4.500     0.000 peak  1467 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.565 ppm2      4.183 CV     1
 ASSI { 1472}
   (( segid "    " and resid 52   and name HB2 ))
   (( segid "    " and resid 52   and name HN  ))
      6.000     4.500     0.000 peak  1472 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.444 ppm2      7.992 CV     1
 ASSI { 1474}
   (( segid "    " and resid 22   and name HB2 ))
   (( segid "    " and resid 23   and name HN  ))
      6.000     4.500     0.000 peak  1474 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.085 ppm2      7.765 CV     1
 ASSI { 1477}
   (( segid "    " and resid 22   and name HB2 ))
   (( segid "    " and resid 22   and name HB1 ))
      6.000     4.500     0.000 peak  1477 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.072 ppm2      1.442 CV     1
 ASSI { 1478}
   (( segid "    " and resid 22   and name HB2 ))
   (  segid "    " and resid 22   and name HD2%)
      6.000     4.500     0.000 peak  1478 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.075 ppm2      1.092 CV     1
 ASSI { 1481}
   (( segid "    " and resid 70   and name HB1 ))
   (( segid "    " and resid 70   and name HB2 ))
      6.000     4.500     0.000 peak  1481 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.844 ppm2      0.985 CV     1
 ASSI { 1483}
   (( segid "    " and resid 5    and name HB  ))
   (( segid "    " and resid 4    and name HA  ))
      6.000     4.500     0.000 peak  1483 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.742 ppm2      5.616 CV     1
 ASSI { 1489}
   (( segid "    " and resid 22   and name HB1 ))
   (( segid "    " and resid 22   and name HN  ))
      6.000     4.500     0.000 peak  1489 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.439 ppm2      8.550 CV     1
 ASSI { 1490}
   (( segid "    " and resid 22   and name HB1 ))
   (( segid "    " and resid 23   and name HN  ))
      6.000     4.500     0.000 peak  1490 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.433 ppm2      7.746 CV     1
 ASSI { 1492}
   (( segid "    " and resid 22   and name HB1 ))
   (  segid "    " and resid 22   and name HD2%)
      6.000     4.500     0.000 peak  1492 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.440 ppm2      1.084 CV     1
 ASSI { 1493}
   (( segid "    " and resid 147  and name HB2 ))
   (( segid "    " and resid 147  and name HG  ))
      6.000     4.500     0.000 peak  1493 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.091 ppm2      0.866 CV     1
 ASSI { 1497}
   (( segid "    " and resid 147  and name HB2 ))
   (( segid "    " and resid 147  and name HB1 ))
      6.000     4.500     0.000 peak  1497 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.084 ppm2      0.679 CV     1
 ASSI { 1507}
   (( segid "    " and resid 147  and name HB1 ))
   (( segid "    " and resid 147  and name HG  ))
      6.000     4.500     0.000 peak  1507 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.676 ppm2      0.871 CV     1
 ASSI { 1509}
   (( segid "    " and resid 147  and name HB1 ))
   (( segid "    " and resid 147  and name HN  ))
      6.000     4.500     0.000 peak  1509 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.671 ppm2      7.417 CV     1
 ASSI { 1510}
   (( segid "    " and resid 101  and name HB1 ))
   (  segid "    " and resid 101  and name HD% )
      6.000     4.500     0.000 peak  1510 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.319 ppm2      7.007 CV     1
 ASSI { 1511}
   (( segid "    " and resid 101  and name HB1 ))
   (( segid "    " and resid 101  and name HB2 ))
      6.000     4.500     0.000 peak  1511 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.311 ppm2      2.306 CV     1
 ASSI { 1512}
   (( segid "    " and resid 101  and name HB1 ))
   (  segid "    " and resid 113  and name HG2%)
      6.000     4.500     0.000 peak  1512 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.315 ppm2      1.145 CV     1
 ASSI { 1513}
   (( segid "    " and resid 101  and name HB1 ))
   (  segid "    " and resid 106  and name HD1%)
      6.000     4.500     0.000 peak  1513 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.306 ppm2      0.620 CV     1
 ASSI { 1514}
   (( segid "    " and resid 101  and name HB1 ))
   (  segid "    " and resid 106  and name HG2%)
      6.000     4.500     0.000 peak  1514 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.300 ppm2      0.929 CV     1
 ASSI { 1515}
   (( segid "    " and resid 40   and name HB2 ))
   (( segid "    " and resid 40   and name HN  ))
      6.000     4.500     0.000 peak  1515 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.864 ppm2      9.400 CV     1
 ASSI { 1532}
   (( segid "    " and resid 101  and name HB2 ))
   (  segid "    " and resid 101  and name HD% )
      6.000     4.500     0.000 peak  1532 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.318 ppm2      7.016 CV     1
 ASSI { 1535}
   (( segid "    " and resid 101  and name HB2 ))
   (  segid "    " and resid 106  and name HD1%)
      6.000     4.500     0.000 peak  1535 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.305 ppm2      0.620 CV     1
 ASSI { 1538}
   (( segid "    " and resid 70   and name HB1 ))
   (( segid "    " and resid 67   and name HA  ))
      6.000     4.500     0.000 peak  1538 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.847 ppm2      3.639 CV     1
 ASSI { 1539}
   (( segid "    " and resid 70   and name HB1 ))
   (  segid "    " and resid 70   and name HD1%)
      6.000     4.500     0.000 peak  1539 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.841 ppm2      0.449 CV     1
 ASSI { 1542}
   (( segid "    " and resid 15   and name HB2 ))
   (( segid "    " and resid 15   and name HN  ))
      6.000     4.500     0.000 peak  1542 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.601 ppm2      8.195 CV     1
 ASSI { 1543}
   (( segid "    " and resid 15   and name HB2 ))
   (( segid "    " and resid 15   and name HB1 ))
      6.000     4.500     0.000 peak  1543 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.603 ppm2      1.446 CV     1
 ASSI { 1544}
   (( segid "    " and resid 15   and name HB1 ))
   (( segid "    " and resid 15   and name HN  ))
      6.000     4.500     0.000 peak  1544 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.446 ppm2      8.189 CV     1
 ASSI { 1546}
   (( segid "    " and resid 70   and name HB2 ))
   (( segid "    " and resid 70   and name HN  ))
      6.000     4.500     0.000 peak  1546 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.993 ppm2      7.795 CV     1
 ASSI { 1551}
   (( segid "    " and resid 40   and name HB1 ))
   (( segid "    " and resid 40   and name HN  ))
      6.000     4.500     0.000 peak  1551 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.088 ppm2      9.400 CV     1
 ASSI { 1552}
   (( segid "    " and resid 40   and name HB1 ))
   (  segid "    " and resid 40   and name HD% )
      6.000     4.500     0.000 peak  1552 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.085 ppm2      7.120 CV     1
 ASSI { 1554}
   (( segid "    " and resid 40   and name HB1 ))
   (( segid "    " and resid 40   and name HB2 ))
      6.000     4.500     0.000 peak  1554 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.072 ppm2      2.840 CV     1
 ASSI { 1558}
   (( segid "    " and resid 153  and name HB2 ))
   (( segid "    " and resid 154  and name HB1 ))
      6.000     4.500     0.000 peak  1558 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.744 ppm2      1.365 CV     1
 OR { 1558}
   (( segid "    " and resid 153  and name HB2 ))
   (( segid "    " and resid 154  and name HB2 ))
 OR { 1558}
   (( segid "    " and resid 153  and name HB2 ))
   (( segid "    " and resid 154  and name HD2 ))
 ASSI { 1564}
   (( segid "    " and resid 153  and name HB1 ))
   (( segid "    " and resid 153  and name HB2 ))
      6.000     4.500     0.000 peak  1564 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.592 ppm2      2.740 CV     1
 ASSI { 1565}
   (( segid "    " and resid 101  and name HB2 ))
   (  segid "    " and resid 106  and name HG2%)
      6.000     4.500     0.000 peak  1565 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.309 ppm2      0.945 CV     1
 ASSI { 1566}
   (( segid "    " and resid 119  and name HE1 ))
   (( segid "    " and resid 119  and name HB2 ))
      6.000     4.500     0.000 peak  1566 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.270 ppm2      1.696 CV     1
 ASSI { 1567}
   (( segid "    " and resid 15   and name HB2 ))
   (( segid "    " and resid 15   and name HA  ))
      6.000     4.500     0.000 peak  1567 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.609 ppm2      3.465 CV     1
 ASSI { 1568}
   (( segid "    " and resid 15   and name HB1 ))
   (( segid "    " and resid 15   and name HA  ))
      6.000     4.500     0.000 peak  1568 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.441 ppm2      3.468 CV     1
 ASSI { 1575}
   (( segid "    " and resid 4    and name HB1 ))
   (( segid "    " and resid 128  and name HG  ))
      6.000     4.500     0.000 peak  1575 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.724 ppm2      0.277 CV     1
 OR { 1575}
   (( segid "    " and resid 4    and name HB2 ))
   (( segid "    " and resid 128  and name HG  ))
 ASSI { 1576}
   (( segid "    " and resid 4    and name HB2 ))
   (( segid "    " and resid 100  and name HB1 ))
      6.000     4.500     0.000 peak  1576 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.709 ppm2      1.789 CV     1
 OR { 1576}
   (( segid "    " and resid 4    and name HB1 ))
   (( segid "    " and resid 100  and name HB1 ))
 ASSI { 1577}
   (( segid "    " and resid 119  and name HE1 ))
   (( segid "    " and resid 150  and name HG1 ))
      6.000     4.500     0.000 peak  1577 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.263 ppm2      1.437 CV     1
 ASSI { 1578}
   (( segid "    " and resid 119  and name HE1 ))
   (( segid "    " and resid 119  and name HG1 ))
      6.000     4.500     0.000 peak  1578 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.265 ppm2      0.476 CV     1
 ASSI { 1579}
   (( segid "    " and resid 119  and name HE1 ))
   (( segid "    " and resid 119  and name HG2 ))
      6.000     4.500     0.000 peak  1579 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.260 ppm2      1.275 CV     1
 ASSI { 1582}
   (( segid "    " and resid 7    and name HB  ))
   (( segid "    " and resid 56   and name HN  ))
      6.000     4.500     0.000 peak  1582 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.453 ppm2      9.190 CV     1
 ASSI { 1583}
   (( segid "    " and resid 7    and name HB  ))
   (( segid "    " and resid 7    and name HN  ))
      6.000     4.500     0.000 peak  1583 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.441 ppm2      8.811 CV     1
 ASSI { 1585}
   (( segid "    " and resid 7    and name HB  ))
   (  segid "    " and resid 7    and name HD1%)
      6.000     4.500     0.000 peak  1585 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.446 ppm2      0.664 CV     1
 ASSI { 1589}
   (( segid "    " and resid 69   and name HB2 ))
   (  segid "    " and resid 69   and name HD1%)
      6.000     4.500     0.000 peak  1589 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.291 ppm2      0.951 CV     1
 OR { 1589}
   (( segid "    " and resid 69   and name HB2 ))
   (  segid "    " and resid 69   and name HD2%)
 ASSI { 1594}
   (( segid "    " and resid 120  and name HB2 ))
   (( segid "    " and resid 120  and name HB1 ))
      6.000     4.500     0.000 peak  1594 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.008 ppm2      2.566 CV     1
 ASSI { 1604}
   (( segid "    " and resid 4    and name HB2 ))
   (  segid "    " and resid 100  and name HD1%)
      6.000     4.500     0.000 peak  1604 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.737 ppm2      0.650 CV     1
 OR { 1604}
   (( segid "    " and resid 4    and name HB1 ))
   (  segid "    " and resid 100  and name HD1%)
 ASSI { 1605}
   (( segid "    " and resid 4    and name HB1 ))
   (  segid "    " and resid 4    and name HD% )
      6.000     4.500     0.000 peak  1605 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.726 ppm2      6.811 CV     1
 OR { 1605}
   (( segid "    " and resid 4    and name HB2 ))
   (  segid "    " and resid 4    and name HD% )
 ASSI { 1615}
   (( segid "    " and resid 139  and name HB2 ))
   (( segid "    " and resid 139  and name HB1 ))
      6.000     4.500     0.000 peak  1615 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.572 ppm2      3.017 CV     1
 ASSI { 1618}
   (( segid "    " and resid 120  and name HB1 ))
   (( segid "    " and resid 121  and name HN  ))
      6.000     4.500     0.000 peak  1618 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.533 ppm2      7.024 CV     1
 ASSI { 1621}
   (( segid "    " and resid 69   and name HB1 ))
   (( segid "    " and resid 69   and name HA  ))
      6.000     4.500     0.000 peak  1621 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.204 ppm2      4.165 CV     1
 ASSI { 1623}
   (( segid "    " and resid 69   and name HB1 ))
   (  segid "    " and resid 69   and name HD2%)
      6.000     4.500     0.000 peak  1623 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.189 ppm2      0.960 CV     1
 OR { 1623}
   (( segid "    " and resid 69   and name HB1 ))
   (  segid "    " and resid 69   and name HD1%)
 ASSI { 1626}
   (( segid "    " and resid 69   and name HB2 ))
   (( segid "    " and resid 66   and name HA  ))
      6.000     4.500     0.000 peak  1626 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.299 ppm2      3.339 CV     1
 ASSI { 1627}
   (( segid "    " and resid 69   and name HB2 ))
   (  segid "    " and resid 64   and name HD1%)
      6.000     4.500     0.000 peak  1627 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.306 ppm2      0.685 CV     1
 OR { 1627}
   (( segid "    " and resid 69   and name HB2 ))
   (  segid "    " and resid 64   and name HD2%)
 ASSI { 1629}
   (( segid "    " and resid 69   and name HB2 ))
   (( segid "    " and resid 69   and name HB1 ))
      6.000     4.500     0.000 peak  1629 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.295 ppm2      2.208 CV     1
 ASSI { 1632}
   (( segid "    " and resid 53   and name HB1 ))
   (  segid "    " and resid 42   and name HG2%)
      6.000     4.500     0.000 peak  1632 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.878 ppm2      1.240 CV     1
 ASSI { 1634}
   (( segid "    " and resid 156  and name HB1 ))
   (( segid "    " and resid 41   and name HB1 ))
      6.000     4.500     0.000 peak  1634 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.865 ppm2      1.662 CV     1
 OR { 1634}
   (( segid "    " and resid 156  and name HB1 ))
   (( segid "    " and resid 41   and name HB2 ))
 ASSI { 1646}
   (( segid "    " and resid 107  and name HB2 ))
   (( segid "    " and resid 107  and name HN  ))
      6.000     4.500     0.000 peak  1646 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.667 ppm2      9.180 CV     1
 ASSI { 1648}
   (( segid "    " and resid 107  and name HB2 ))
   (( segid "    " and resid 107  and name HD21))
      6.000     4.500     0.000 peak  1648 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.666 ppm2      7.799 CV     1
 ASSI { 1649}
   (( segid "    " and resid 107  and name HB2 ))
   (( segid "    " and resid 107  and name HA  ))
      6.000     4.500     0.000 peak  1649 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.672 ppm2      5.500 CV     1
 ASSI { 1653}
   (( segid "    " and resid 107  and name HB2 ))
   (  segid "    " and resid 105  and name HG1%)
      6.000     4.500     0.000 peak  1653 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.662 ppm2      1.010 CV     1
 OR { 1653}
   (( segid "    " and resid 107  and name HB2 ))
   (  segid "    " and resid 105  and name HG2%)
 ASSI { 1669}
   (( segid "    " and resid 152  and name HB2 ))
   (  segid "    " and resid 152  and name HD% )
      6.000     4.500     0.000 peak  1669 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.390 ppm2      7.072 CV     1
 ASSI { 1670}
   (( segid "    " and resid 152  and name HB2 ))
   (( segid "    " and resid 152  and name HB1 ))
      6.000     4.500     0.000 peak  1670 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.393 ppm2      2.688 CV     1
 ASSI { 1674}
   (( segid "    " and resid 129  and name HB2 ))
   (( segid "    " and resid 129  and name HB1 ))
      6.000     4.500     0.000 peak  1674 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.163 ppm2      2.910 CV     1
 ASSI { 1675}
   (( segid "    " and resid 129  and name HB2 ))
   (  segid "    " and resid 147  and name HD1%)
      6.000     4.500     0.000 peak  1675 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.164 ppm2     -0.465 CV     1
 ASSI { 1676}
   (( segid "    " and resid 129  and name HB2 ))
   (  segid "    " and resid 129  and name HD% )
      6.000     4.500     0.000 peak  1676 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.155 ppm2      7.198 CV     1
 ASSI { 1679}
   (( segid "    " and resid 129  and name HB1 ))
   (  segid "    " and resid 129  and name HD% )
      6.000     4.500     0.000 peak  1679 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.888 ppm2      7.198 CV     1
 ASSI { 1686}
   (( segid "    " and resid 156  and name HB1 ))
   (( segid "    " and resid 156  and name HN  ))
      6.000     4.500     0.000 peak  1686 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.866 ppm2      9.069 CV     1
 ASSI { 1688}
   (( segid "    " and resid 156  and name HB1 ))
   (( segid "    " and resid 155  and name HB1 ))
      6.000     4.500     0.000 peak  1688 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.866 ppm2      1.712 CV     1
 ASSI { 1693}
   (( segid "    " and resid 152  and name HB1 ))
   (  segid "    " and resid 147  and name HD2%)
      6.000     4.500     0.000 peak  1693 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.695 ppm2     -0.557 CV     1
 ASSI { 1694}
   (( segid "    " and resid 152  and name HB1 ))
   (( segid "    " and resid 153  and name HN  ))
      6.000     4.500     0.000 peak  1694 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.681 ppm2      8.790 CV     1
 ASSI { 1695}
   (( segid "    " and resid 152  and name HB1 ))
   (  segid "    " and resid 152  and name HD% )
      6.000     4.500     0.000 peak  1695 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.690 ppm2      7.085 CV     1
 ASSI { 1703}
   (( segid "    " and resid 103  and name HB1 ))
   (( segid "    " and resid 137  and name HB1 ))
      6.000     4.500     0.000 peak  1703 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.012 ppm2      3.256 CV     1
 ASSI { 1706}
   (( segid "    " and resid 103  and name HB1 ))
   (( segid "    " and resid 103  and name HD22))
      6.000     4.500     0.000 peak  1706 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.985 ppm2      7.568 CV     1
 ASSI { 1707}
   (( segid "    " and resid 103  and name HB1 ))
   (( segid "    " and resid 103  and name HD21))
      6.000     4.500     0.000 peak  1707 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.985 ppm2      6.982 CV     1
 ASSI { 1709}
   (( segid "    " and resid 103  and name HB1 ))
   (( segid "    " and resid 135  and name HA  ))
      6.000     4.500     0.000 peak  1709 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.986 ppm2      3.858 CV     1
 ASSI { 1710}
   (( segid "    " and resid 103  and name HB1 ))
   (( segid "    " and resid 103  and name HB2 ))
      6.000     4.500     0.000 peak  1710 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.983 ppm2      2.654 CV     1
 ASSI { 1714}
   (( segid "    " and resid 103  and name HB2 ))
   (( segid "    " and resid 104  and name HN  ))
      6.000     4.500     0.000 peak  1714 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.656 ppm2      8.333 CV     1
 ASSI { 1715}
   (( segid "    " and resid 103  and name HB2 ))
   (( segid "    " and resid 103  and name HD22))
      6.000     4.500     0.000 peak  1715 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.657 ppm2      7.564 CV     1
 ASSI { 1717}
   (( segid "    " and resid 103  and name HB2 ))
   (( segid "    " and resid 102  and name HA1 ))
      6.000     4.500     0.000 peak  1717 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.661 ppm2      3.873 CV     1
 OR { 1717}
   (( segid "    " and resid 103  and name HB2 ))
   (( segid "    " and resid 102  and name HA2 ))
 ASSI { 1723}
   (( segid "    " and resid 131  and name HB  ))
   (( segid "    " and resid 131  and name HG11))
      6.000     4.500     0.000 peak  1723 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.132 ppm2      1.595 CV     1
 ASSI { 1724}
   (( segid "    " and resid 131  and name HB  ))
   (( segid "    " and resid 131  and name HG12))
      6.000     4.500     0.000 peak  1724 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.137 ppm2      1.483 CV     1
 ASSI { 1732}
   (( segid "    " and resid 137  and name HB2 ))
   (( segid "    " and resid 137  and name HA  ))
      6.000     4.500     0.000 peak  1732 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.352 ppm2      4.302 CV     1
 ASSI { 1735}
   (( segid "    " and resid 137  and name HB1 ))
   (( segid "    " and resid 139  and name HN  ))
      6.000     4.500     0.000 peak  1735 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.230 ppm2      7.480 CV     1
 ASSI { 1740}
   (( segid "    " and resid 33   and name HB  ))
   (  segid "    " and resid 33   and name HG2%)
      6.000     4.500     0.000 peak  1740 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.767 ppm2      0.758 CV     1
 ASSI { 1746}
   (( segid "    " and resid 116  and name HB1 ))
   (  segid "    " and resid 116  and name HD% )
      6.000     4.500     0.000 peak  1746 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.074 ppm2      6.676 CV     1
 ASSI { 1747}
   (( segid "    " and resid 116  and name HB1 ))
   (  segid "    " and resid 112  and name HG2%)
      6.000     4.500     0.000 peak  1747 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.069 ppm2      1.432 CV     1
 ASSI { 1751}
   (( segid "    " and resid 116  and name HB2 ))
   (  segid "    " and resid 116  and name HD% )
      6.000     4.500     0.000 peak  1751 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.928 ppm2      6.673 CV     1
 ASSI { 1753}
   (( segid "    " and resid 116  and name HB2 ))
   (  segid "    " and resid 112  and name HG2%)
      6.000     4.500     0.000 peak  1753 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.934 ppm2      1.437 CV     1
 ASSI { 1757}
   (( segid "    " and resid 67   and name HG1 ))
   (( segid "    " and resid 67   and name HN  ))
      6.000     4.500     0.000 peak  1757 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.950 ppm2      8.720 CV     1
 ASSI { 1759}
   (( segid "    " and resid 67   and name HG1 ))
   (( segid "    " and resid 67   and name HG2 ))
      6.000     4.500     0.000 peak  1759 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.947 ppm2      2.132 CV     1
 ASSI { 1760}
   (( segid "    " and resid 67   and name HG1 ))
   (  segid "    " and resid 111  and name HD1%)
      6.000     4.500     0.000 peak  1760 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.946 ppm2      0.305 CV     1
 ASSI { 1764}
   (( segid "    " and resid 146  and name HB  ))
   (( segid "    " and resid 143  and name HA  ))
      6.000     4.500     0.000 peak  1764 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.789 ppm2      4.075 CV     1
 ASSI { 1766}
   (( segid "    " and resid 146  and name HB  ))
   (  segid "    " and resid 146  and name HD1%)
      6.000     4.500     0.000 peak  1766 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.788 ppm2      0.475 CV     1
 ASSI { 1767}
   (( segid "    " and resid 146  and name HB  ))
   (( segid "    " and resid 125  and name HG  ))
      6.000     4.500     0.000 peak  1767 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.792 ppm2      0.333 CV     1
 ASSI { 1772}
   (( segid "    " and resid 19   and name HB1 ))
   (( segid "    " and resid 19   and name HD22))
      6.000     4.500     0.000 peak  1772 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.887 ppm2      6.840 CV     1
 ASSI { 1775}
   (( segid "    " and resid 19   and name HB1 ))
   (( segid "    " and resid 19   and name HD21))
      6.000     4.500     0.000 peak  1775 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.880 ppm2      7.391 CV     1
 ASSI { 1776}
   (( segid "    " and resid 19   and name HB1 ))
   (( segid "    " and resid 19   and name HB2 ))
      6.000     4.500     0.000 peak  1776 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.873 ppm2      2.671 CV     1
 ASSI { 1782}
   (( segid "    " and resid 19   and name HB2 ))
   (( segid "    " and resid 19   and name HD21))
      6.000     4.500     0.000 peak  1782 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.673 ppm2      7.386 CV     1
 ASSI { 1783}
   (( segid "    " and resid 19   and name HB2 ))
   (( segid "    " and resid 19   and name HD22))
      6.000     4.500     0.000 peak  1783 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.670 ppm2      6.839 CV     1
 ASSI { 1792}
   (( segid "    " and resid 67   and name HG2 ))
   (( segid "    " and resid 68   and name HN  ))
      6.000     4.500     0.000 peak  1792 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.129 ppm2      6.873 CV     1
 ASSI { 1794}
   (( segid "    " and resid 67   and name HG1 ))
   (( segid "    " and resid 67   and name HA  ))
      6.000     4.500     0.000 peak  1794 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.950 ppm2      3.623 CV     1
 ASSI { 1798}
   (( segid "    " and resid 76   and name HB  ))
   (( segid "    " and resid 77   and name HN  ))
      6.000     4.500     0.000 peak  1798 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.874 ppm2      8.299 CV     1
 ASSI { 1799}
   (( segid "    " and resid 76   and name HB  ))
   (( segid "    " and resid 76   and name HN  ))
      6.000     4.500     0.000 peak  1799 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.877 ppm2      8.071 CV     1
 ASSI { 1800}
   (( segid "    " and resid 76   and name HB  ))
   (( segid "    " and resid 73   and name HB  ))
      6.000     4.500     0.000 peak  1800 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.876 ppm2      3.908 CV     1
 ASSI { 1805}
   (( segid "    " and resid 28   and name HB  ))
   (  segid "    " and resid 69   and name HD1%)
      6.000     4.500     0.000 peak  1805 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.546 ppm2      0.939 CV     1
 OR { 1805}
   (( segid "    " and resid 28   and name HB  ))
   (  segid "    " and resid 69   and name HD2%)
 ASSI { 1808}
   (( segid "    " and resid 28   and name HB  ))
   (( segid "    " and resid 28   and name HG11))
      6.000     4.500     0.000 peak  1808 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.539 ppm2      2.055 CV     1
 OR { 1808}
   (( segid "    " and resid 28   and name HB  ))
   (( segid "    " and resid 28   and name HG12))
 ASSI { 1809}
   (( segid "    " and resid 28   and name HB  ))
   (( segid "    " and resid 64   and name HG  ))
      6.000     4.500     0.000 peak  1809 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.540 ppm2      0.769 CV     1
 ASSI { 1810}
   (( segid "    " and resid 28   and name HB  ))
   (  segid "    " and resid 28   and name HG2%)
      6.000     4.500     0.000 peak  1810 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.540 ppm2      0.606 CV     1
 ASSI { 1813}
   (( segid "    " and resid 39   and name HB2 ))
   (  segid "    " and resid 39   and name HD% )
      6.000     4.500     0.000 peak  1813 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.319 ppm2      6.977 CV     1
 ASSI { 1814}
   (( segid "    " and resid 39   and name HB2 ))
   (  segid "    " and resid 54   and name HD1%)
      6.000     4.500     0.000 peak  1814 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.321 ppm2     -0.528 CV     1
 ASSI { 1817}
   (( segid "    " and resid 39   and name HB2 ))
   (( segid "    " and resid 39   and name HB1 ))
      6.000     4.500     0.000 peak  1817 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.312 ppm2      2.813 CV     1
 ASSI { 1818}
   (( segid "    " and resid 39   and name HB2 ))
   (  segid "    " and resid 54   and name HD2%)
      6.000     4.500     0.000 peak  1818 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.296 ppm2      0.170 CV     1
 ASSI { 1821}
   (( segid "    " and resid 39   and name HB1 ))
   (  segid "    " and resid 39   and name HD% )
      6.000     4.500     0.000 peak  1821 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.817 ppm2      6.984 CV     1
 ASSI { 1823}
   (( segid "    " and resid 39   and name HB1 ))
   (  segid "    " and resid 54   and name HD1%)
      6.000     4.500     0.000 peak  1823 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.821 ppm2     -0.519 CV     1
 ASSI { 1826}
   (( segid "    " and resid 39   and name HB1 ))
   (  segid "    " and resid 54   and name HD2%)
      6.000     4.500     0.000 peak  1826 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.804 ppm2      0.175 CV     1
 ASSI { 1827}
   (( segid "    " and resid 98   and name HB  ))
   (  segid "    " and resid 98   and name HG2%)
      6.000     4.500     0.000 peak  1827 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.079 ppm2      0.801 CV     1
 ASSI { 1830}
   (( segid "    " and resid 98   and name HB  ))
   (( segid "    " and resid 5    and name HN  ))
      6.000     4.500     0.000 peak  1830 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.078 ppm2      9.506 CV     1
 ASSI { 1832}
   (( segid "    " and resid 98   and name HB  ))
   (( segid "    " and resid 98   and name HG11))
      6.000     4.500     0.000 peak  1832 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.073 ppm2      0.957 CV     1
 ASSI { 1837}
   (( segid "    " and resid 123  and name HB2 ))
   (( segid "    " and resid 123  and name HA  ))
      6.000     4.500     0.000 peak  1837 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.183 ppm2      4.336 CV     1
 ASSI { 1838}
   (( segid "    " and resid 123  and name HB2 ))
   (( segid "    " and resid 123  and name HB1 ))
      6.000     4.500     0.000 peak  1838 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.178 ppm2      2.907 CV     1
 ASSI { 1841}
   (( segid "    " and resid 123  and name HB2 ))
   (  segid "    " and resid 42   and name HG2%)
      6.000     4.500     0.000 peak  1841 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.170 ppm2      1.239 CV     1
 ASSI { 1842}
   (( segid "    " and resid 123  and name HB1 ))
   (  segid "    " and resid 42   and name HG2%)
      6.000     4.500     0.000 peak  1842 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.928 ppm2      1.242 CV     1
 ASSI { 1844}
   (( segid "    " and resid 123  and name HB1 ))
   (( segid "    " and resid 155  and name HG  ))
      6.000     4.500     0.000 peak  1844 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.923 ppm2      0.913 CV     1
 ASSI { 1851}
   (( segid "    " and resid 141  and name HG1 ))
   (( segid "    " and resid 142  and name HN  ))
      6.000     4.500     0.000 peak  1851 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.280 ppm2      9.256 CV     1
 ASSI { 1853}
   (( segid "    " and resid 141  and name HG1 ))
   (( segid "    " and resid 141  and name HA  ))
      6.000     4.500     0.000 peak  1853 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.276 ppm2      4.280 CV     1
 ASSI { 1854}
   (( segid "    " and resid 141  and name HG1 ))
   (( segid "    " and resid 141  and name HB2 ))
      6.000     4.500     0.000 peak  1854 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.279 ppm2      1.858 CV     1
 ASSI { 1855}
   (( segid "    " and resid 141  and name HG1 ))
   (( segid "    " and resid 146  and name HG12))
      6.000     4.500     0.000 peak  1855 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.285 ppm2      0.985 CV     1
 ASSI { 1856}
   (( segid "    " and resid 141  and name HG1 ))
   (  segid "    " and resid 146  and name HD1%)
      6.000     4.500     0.000 peak  1856 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.279 ppm2      0.468 CV     1
 ASSI { 1857}
   (( segid "    " and resid 141  and name HG2 ))
   (( segid "    " and resid 142  and name HN  ))
      6.000     4.500     0.000 peak  1857 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.047 ppm2      9.264 CV     1
 ASSI { 1860}
   (( segid "    " and resid 141  and name HG2 ))
   (( segid "    " and resid 141  and name HG1 ))
      6.000     4.500     0.000 peak  1860 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.048 ppm2      2.277 CV     1
 ASSI { 1863}
   (( segid "    " and resid 141  and name HG2 ))
   (  segid "    " and resid 146  and name HD1%)
      6.000     4.500     0.000 peak  1863 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.044 ppm2      0.477 CV     1
 ASSI { 1866}
   (( segid "    " and resid 113  and name HB  ))
   (( segid "    " and resid 113  and name HA  ))
      6.000     4.500     0.000 peak  1866 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.857 ppm2      4.296 CV     1
 ASSI { 1869}
   (( segid "    " and resid 113  and name HB  ))
   (  segid "    " and resid 113  and name HG2%)
      6.000     4.500     0.000 peak  1869 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.852 ppm2      1.145 CV     1
 ASSI { 1876}
   (( segid "    " and resid 71   and name HB2 ))
   (( segid "    " and resid 71   and name HB1 ))
      6.000     4.500     0.000 peak  1876 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.048 ppm2      2.583 CV     1
 ASSI { 1881}
   (( segid "    " and resid 77   and name HG2 ))
   (( segid "    " and resid 77   and name HB1 ))
      6.000     4.500     0.000 peak  1881 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.826 ppm2      1.860 CV     1
 ASSI { 1882}
   (( segid "    " and resid 77   and name HG2 ))
   (( segid "    " and resid 96   and name HG  ))
      6.000     4.500     0.000 peak  1882 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.831 ppm2      1.594 CV     1
 ASSI { 1883}
   (( segid "    " and resid 77   and name HG2 ))
   (( segid "    " and resid 77   and name HB2 ))
      6.000     4.500     0.000 peak  1883 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.819 ppm2      2.580 CV     1
 ASSI { 1884}
   (( segid "    " and resid 77   and name HG2 ))
   (( segid "    " and resid 77   and name HG1 ))
      6.000     4.500     0.000 peak  1884 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.816 ppm2      2.054 CV     1
 ASSI { 1889}
   (( segid "    " and resid 16   and name HG1 ))
   (( segid "    " and resid 19   and name HD21))
      6.000     4.500     0.000 peak  1889 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.324 ppm2      7.394 CV     1
 ASSI { 1890}
   (( segid "    " and resid 16   and name HG1 ))
   (( segid "    " and resid 15   and name HG  ))
      6.000     4.500     0.000 peak  1890 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.315 ppm2      0.914 CV     1
 ASSI { 1892}
   (( segid "    " and resid 77   and name HG1 ))
   (( segid "    " and resid 96   and name HN  ))
      6.000     4.500     0.000 peak  1892 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.057 ppm2     10.547 CV     1
 ASSI { 1895}
   (( segid "    " and resid 77   and name HG1 ))
   (( segid "    " and resid 77   and name HB2 ))
      6.000     4.500     0.000 peak  1895 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.050 ppm2      2.581 CV     1
 ASSI { 1896}
   (( segid "    " and resid 77   and name HG1 ))
   (  segid "    " and resid 21   and name HB% )
      6.000     4.500     0.000 peak  1896 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.046 ppm2      1.467 CV     1
 ASSI { 1902}
   (( segid "    " and resid 104  and name HG2 ))
   (( segid "    " and resid 103  and name HN  ))
      6.000     4.500     0.000 peak  1902 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.583 ppm2      9.250 CV     1
 ASSI { 1903}
   (( segid "    " and resid 104  and name HG2 ))
   (( segid "    " and resid 104  and name HN  ))
      6.000     4.500     0.000 peak  1903 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.582 ppm2      8.328 CV     1
 ASSI { 1904}
   (( segid "    " and resid 104  and name HG2 ))
   (( segid "    " and resid 105  and name HN  ))
      6.000     4.500     0.000 peak  1904 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.583 ppm2      8.176 CV     1
 ASSI { 1906}
   (( segid "    " and resid 104  and name HG2 ))
   (  segid "    " and resid 101  and name HD% )
      6.000     4.500     0.000 peak  1906 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.581 ppm2      7.013 CV     1
 ASSI { 1907}
   (( segid "    " and resid 104  and name HG2 ))
   (( segid "    " and resid 104  and name HA  ))
      6.000     4.500     0.000 peak  1907 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.581 ppm2      4.256 CV     1
 ASSI { 1908}
   (( segid "    " and resid 104  and name HG2 ))
   (( segid "    " and resid 104  and name HB2 ))
      6.000     4.500     0.000 peak  1908 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.583 ppm2      2.159 CV     1
 ASSI { 1909}
   (( segid "    " and resid 104  and name HG2 ))
   (( segid "    " and resid 106  and name HB  ))
      6.000     4.500     0.000 peak  1909 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.585 ppm2      1.410 CV     1
 ASSI { 1910}
   (( segid "    " and resid 104  and name HG2 ))
   (  segid "    " and resid 106  and name HD1%)
      6.000     4.500     0.000 peak  1910 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.585 ppm2      0.595 CV     1
 ASSI { 1915}
   (( segid "    " and resid 104  and name HG1 ))
   (( segid "    " and resid 104  and name HA  ))
      6.000     4.500     0.000 peak  1915 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.504 ppm2      4.253 CV     1
 ASSI { 1916}
   (( segid "    " and resid 104  and name HG1 ))
   (( segid "    " and resid 106  and name HB  ))
      6.000     4.500     0.000 peak  1916 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.502 ppm2      1.412 CV     1
 ASSI { 1918}
   (( segid "    " and resid 104  and name HG1 ))
   (  segid "    " and resid 106  and name HD1%)
      6.000     4.500     0.000 peak  1918 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.498 ppm2      0.601 CV     1
 ASSI { 1919}
   (( segid "    " and resid 104  and name HG1 ))
   (  segid "    " and resid 101  and name HD% )
      6.000     4.500     0.000 peak  1919 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.494 ppm2      7.011 CV     1
 ASSI { 1922}
   (( segid "    " and resid 109  and name HG2 ))
   (( segid "    " and resid 109  and name HB1 ))
      6.000     4.500     0.000 peak  1922 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.319 ppm2      2.057 CV     1
 OR { 1922}
   (( segid "    " and resid 109  and name HG2 ))
   (( segid "    " and resid 109  and name HB2 ))
 ASSI { 1923}
   (( segid "    " and resid 30   and name HG2 ))
   (( segid "    " and resid 30   and name HN  ))
      6.000     4.500     0.000 peak  1923 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.155 ppm2      8.896 CV     1
 ASSI { 1925}
   (( segid "    " and resid 58   and name HB  ))
   (( segid "    " and resid 5    and name HN  ))
      6.000     4.500     0.000 peak  1925 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.955 ppm2      9.526 CV     1
 ASSI { 1926}
   (( segid "    " and resid 58   and name HB  ))
   (( segid "    " and resid 59   and name HN  ))
      6.000     4.500     0.000 peak  1926 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.954 ppm2      8.590 CV     1
 ASSI { 1927}
   (( segid "    " and resid 58   and name HB  ))
   (  segid "    " and resid 58   and name HG2%)
      6.000     4.500     0.000 peak  1927 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.956 ppm2      0.968 CV     1
 OR { 1927}
   (( segid "    " and resid 58   and name HB  ))
   (  segid "    " and resid 58   and name HG1%)
 ASSI { 1933}
   (( segid "    " and resid 68   and name HG1 ))
   (( segid "    " and resid 72   and name HD2 ))
      6.000     4.500     0.000 peak  1933 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.385 ppm2      7.212 CV     1
 OR { 1933}
   (( segid "    " and resid 68   and name HG2 ))
   (( segid "    " and resid 72   and name HD2 ))
 ASSI { 1935}
   (( segid "    " and resid 68   and name HG1 ))
   (  segid "    " and resid 65   and name HB% )
      6.000     4.500     0.000 peak  1935 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.386 ppm2      1.436 CV     1
 OR { 1935}
   (( segid "    " and resid 68   and name HG2 ))
   (  segid "    " and resid 65   and name HB% )
 ASSI { 1936}
   (( segid "    " and resid 68   and name HG1 ))
   (  segid "    " and resid 64   and name HD1%)
      6.000     4.500     0.000 peak  1936 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.389 ppm2      0.732 CV     1
 OR { 1936}
   (( segid "    " and resid 68   and name HG1 ))
   (  segid "    " and resid 64   and name HD2%)
 OR { 1936}
   (( segid "    " and resid 68   and name HG2 ))
   (  segid "    " and resid 64   and name HD1%)
 OR { 1936}
   (( segid "    " and resid 68   and name HG2 ))
   (  segid "    " and resid 64   and name HD2%)
 OR { 1936}
   (( segid "    " and resid 68   and name HG1 ))
   (( segid "    " and resid 64   and name HG  ))
 ASSI { 1937}
   (( segid "    " and resid 109  and name HG2 ))
   (( segid "    " and resid 109  and name HN  ))
      6.000     4.500     0.000 peak  1937 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.312 ppm2      8.874 CV     1
 ASSI { 1938}
   (( segid "    " and resid 109  and name HG1 ))
   (( segid "    " and resid 109  and name HN  ))
      6.000     4.500     0.000 peak  1938 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.249 ppm2      8.869 CV     1
 ASSI { 1939}
   (( segid "    " and resid 109  and name HG1 ))
   (( segid "    " and resid 109  and name HA  ))
      6.000     4.500     0.000 peak  1939 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.249 ppm2      4.030 CV     1
 ASSI { 1940}
   (( segid "    " and resid 87   and name HG2 ))
   (( segid "    " and resid 87   and name HN  ))
      6.000     4.500     0.000 peak  1940 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.239 ppm2      8.455 CV     1
 ASSI { 1942}
   (( segid "    " and resid 30   and name HG2 ))
   (( segid "    " and resid 29   and name HA  ))
      6.000     4.500     0.000 peak  1942 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.165 ppm2      4.306 CV     1
 ASSI { 1943}
   (( segid "    " and resid 30   and name HG2 ))
   (( segid "    " and resid 30   and name HA  ))
      6.000     4.500     0.000 peak  1943 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.161 ppm2      3.905 CV     1
 ASSI { 1944}
   (( segid "    " and resid 30   and name HG2 ))
   (( segid "    " and resid 30   and name HB1 ))
      6.000     4.500     0.000 peak  1944 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.165 ppm2      2.395 CV     1
 ASSI { 1945}
   (( segid "    " and resid 30   and name HG2 ))
   (( segid "    " and resid 64   and name HG  ))
      6.000     4.500     0.000 peak  1945 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.159 ppm2      0.741 CV     1
 ASSI { 1948}
   (( segid "    " and resid 30   and name HG1 ))
   (  segid "    " and resid 64   and name HD2%)
      6.000     4.500     0.000 peak  1948 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.089 ppm2      0.736 CV     1
 OR { 1948}
   (( segid "    " and resid 30   and name HG1 ))
   (  segid "    " and resid 64   and name HD1%)
 ASSI { 1950}
   (( segid "    " and resid 58   and name HB  ))
   (( segid "    " and resid 57   and name HA  ))
      6.000     4.500     0.000 peak  1950 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.964 ppm2      5.633 CV     1
 ASSI { 1955}
   (( segid "    " and resid 58   and name HB  ))
   (  segid "    " and resid 25   and name HD2%)
      6.000     4.500     0.000 peak  1955 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.955 ppm2      0.824 CV     1
 OR { 1955}
   (( segid "    " and resid 58   and name HB  ))
   (  segid "    " and resid 25   and name HD1%)
 ASSI { 1962}
   (( segid "    " and resid 68   and name HG1 ))
   (( segid "    " and resid 69   and name HB2 ))
      6.000     4.500     0.000 peak  1962 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.397 ppm2      1.294 CV     1
 OR { 1962}
   (( segid "    " and resid 68   and name HG2 ))
   (( segid "    " and resid 69   and name HB2 ))
 ASSI { 1964}
   (( segid "    " and resid 68   and name HG1 ))
   (( segid "    " and resid 69   and name HN  ))
      6.000     4.500     0.000 peak  1964 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.389 ppm2      8.163 CV     1
 OR { 1964}
   (( segid "    " and resid 68   and name HG2 ))
   (( segid "    " and resid 69   and name HN  ))
 ASSI { 1965}
   (( segid "    " and resid 68   and name HG1 ))
   (( segid "    " and resid 64   and name HB1 ))
      6.000     4.500     0.000 peak  1965 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.389 ppm2      1.733 CV     1
 OR { 1965}
   (( segid "    " and resid 68   and name HG2 ))
   (( segid "    " and resid 64   and name HB1 ))
 ASSI { 1968}
   (( segid "    " and resid 61   and name HG1 ))
   (( segid "    " and resid 61   and name HB2 ))
      6.000     4.500     0.000 peak  1968 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.200 ppm2      1.738 CV     1
 ASSI { 1970}
   (( segid "    " and resid 87   and name HG1 ))
   (( segid "    " and resid 87   and name HN  ))
      6.000     4.500     0.000 peak  1970 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.192 ppm2      8.473 CV     1
 ASSI { 1972}
   (( segid "    " and resid 61   and name HG1 ))
   (( segid "    " and resid 60   and name HG  ))
      6.000     4.500     0.000 peak  1972 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.191 ppm2      1.262 CV     1
 ASSI { 1973}
   (( segid "    " and resid 61   and name HG1 ))
   (( segid "    " and resid 34   and name HG  ))
      6.000     4.500     0.000 peak  1973 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.192 ppm2      0.794 CV     1
 ASSI { 1976}
   (( segid "    " and resid 134  and name HG1 ))
   (  segid "    " and resid 132  and name HB% )
      6.000     4.500     0.000 peak  1976 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.099 ppm2      0.977 CV     1
 ASSI { 1979}
   (( segid "    " and resid 61   and name HG2 ))
   (( segid "    " and resid 34   and name HB2 ))
      6.000     4.500     0.000 peak  1979 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.903 ppm2      1.539 CV     1
 ASSI { 1980}
   (( segid "    " and resid 134  and name HG2 ))
   (( segid "    " and resid 134  and name HN  ))
      6.000     4.500     0.000 peak  1980 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.300 ppm2      8.287 CV     1
 ASSI { 1981}
   (( segid "    " and resid 134  and name HG2 ))
   (( segid "    " and resid 134  and name HB1 ))
      6.000     4.500     0.000 peak  1981 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.298 ppm2      1.741 CV     1
 ASSI { 1982}
   (( segid "    " and resid 61   and name HG1 ))
   (( segid "    " and resid 62   and name HN  ))
      6.000     4.500     0.000 peak  1982 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.201 ppm2      9.202 CV     1
 ASSI { 1985}
   (( segid "    " and resid 134  and name HG1 ))
   (( segid "    " and resid 134  and name HB1 ))
      6.000     4.500     0.000 peak  1985 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.104 ppm2      1.739 CV     1
 ASSI { 1986}
   (( segid "    " and resid 134  and name HG1 ))
   (( segid "    " and resid 133  and name HB1 ))
      6.000     4.500     0.000 peak  1986 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.104 ppm2      1.597 CV     1
 ASSI { 1988}
   (( segid "    " and resid 61   and name HG2 ))
   (( segid "    " and resid 61   and name HG1 ))
      6.000     4.500     0.000 peak  1988 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.904 ppm2      2.191 CV     1
 ASSI { 1989}
   (( segid "    " and resid 61   and name HG2 ))
   (( segid "    " and resid 61   and name HB2 ))
      6.000     4.500     0.000 peak  1989 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.905 ppm2      1.736 CV     1
 ASSI { 1990}
   (( segid "    " and resid 61   and name HG2 ))
   (( segid "    " and resid 60   and name HG  ))
      6.000     4.500     0.000 peak  1990 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.907 ppm2      1.256 CV     1
 ASSI { 1993}
   (( segid "    " and resid 74   and name HG2 ))
   (( segid "    " and resid 74   and name HA  ))
      6.000     4.500     0.000 peak  1993 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.917 ppm2      4.197 CV     1
 ASSI { 1995}
   (( segid "    " and resid 74   and name HG2 ))
   (( segid "    " and resid 74   and name HG1 ))
      6.000     4.500     0.000 peak  1995 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.908 ppm2      2.396 CV     1
 ASSI { 1996}
   (( segid "    " and resid 74   and name HG2 ))
   (( segid "    " and resid 74   and name HB2 ))
      6.000     4.500     0.000 peak  1996 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.906 ppm2      2.215 CV     1
 OR { 1996}
   (( segid "    " and resid 74   and name HG2 ))
   (( segid "    " and resid 74   and name HB1 ))
 ASSI { 1997}
   (( segid "    " and resid 74   and name HG2 ))
   (  segid "    " and resid 70   and name HD2%)
      6.000     4.500     0.000 peak  1997 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.907 ppm2      0.697 CV     1
 ASSI { 2003}
   (( segid "    " and resid 130  and name HG1 ))
   (( segid "    " and resid 130  and name HN  ))
      6.000     4.500     0.000 peak  2003 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.526 ppm2      7.600 CV     1
 ASSI { 2005}
   (( segid "    " and resid 130  and name HG1 ))
   (( segid "    " and resid 130  and name HG2 ))
      6.000     4.500     0.000 peak  2005 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.528 ppm2      2.272 CV     1
 OR { 2005}
   (( segid "    " and resid 130  and name HG1 ))
   (( segid "    " and resid 130  and name HB1 ))
 ASSI { 2008}
   (( segid "    " and resid 130  and name HG2 ))
   (( segid "    " and resid 130  and name HN  ))
      6.000     4.500     0.000 peak  2008 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.281 ppm2      7.609 CV     1
 ASSI { 2009}
   (( segid "    " and resid 130  and name HG2 ))
   (( segid "    " and resid 130  and name HA  ))
      6.000     4.500     0.000 peak  2009 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.269 ppm2      3.876 CV     1
 ASSI { 2012}
   (( segid "    " and resid 36   and name HB  ))
   (  segid "    " and resid 36   and name HG2%)
      6.000     4.500     0.000 peak  2012 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.943 ppm2      1.327 CV     1
 ASSI { 2013}
   (( segid "    " and resid 36   and name HB  ))
   (  segid "    " and resid 36   and name HG1%)
      6.000     4.500     0.000 peak  2013 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.943 ppm2      1.090 CV     1
 ASSI { 2022}
   (( segid "    " and resid 114  and name HB1 ))
   (( segid "    " and resid 114  and name HD1 ))
      6.000     4.500     0.000 peak  2022 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.094 ppm2      4.178 CV     1
 ASSI { 2024}
   (( segid "    " and resid 114  and name HB2 ))
   (( segid "    " and resid 114  and name HD1 ))
      6.000     4.500     0.000 peak  2024 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.845 ppm2      4.158 CV     1
 ASSI { 2025}
   (( segid "    " and resid 114  and name HB2 ))
   (( segid "    " and resid 114  and name HB1 ))
      6.000     4.500     0.000 peak  2025 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.840 ppm2      2.076 CV     1
 ASSI { 2028}
   (( segid "    " and resid 114  and name HB2 ))
   (( segid "    " and resid 114  and name HD2 ))
      6.000     4.500     0.000 peak  2028 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.831 ppm2      3.669 CV     1
 ASSI { 2029}
   (( segid "    " and resid 79   and name HG2 ))
   (  segid "    " and resid 78   and name HD2%)
      6.000     4.500     0.000 peak  2029 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.615 ppm2      0.817 CV     1
 OR { 2029}
   (( segid "    " and resid 79   and name HG2 ))
   (  segid "    " and resid 78   and name HD1%)
 ASSI { 2036}
   (( segid "    " and resid 124  and name HB2 ))
   (( segid "    " and resid 125  and name HN  ))
      6.000     4.500     0.000 peak  2036 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.112 ppm2      7.493 CV     1
 OR { 2036}
   (( segid "    " and resid 124  and name HB1 ))
   (( segid "    " and resid 125  and name HN  ))
 ASSI { 2037}
   (( segid "    " and resid 124  and name HB1 ))
   (( segid "    " and resid 124  and name HA  ))
      6.000     4.500     0.000 peak  2037 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.117 ppm2      4.374 CV     1
 OR { 2037}
   (( segid "    " and resid 124  and name HB2 ))
   (( segid "    " and resid 124  and name HA  ))
 ASSI { 2039}
   (( segid "    " and resid 114  and name HB1 ))
   (( segid "    " and resid 114  and name HD2 ))
      6.000     4.500     0.000 peak  2039 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.098 ppm2      3.671 CV     1
 ASSI { 2044}
   (( segid "    " and resid 114  and name HB1 ))
   (  segid "    " and resid 113  and name HG1%)
      6.000     4.500     0.000 peak  2044 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.088 ppm2      0.831 CV     1
 ASSI { 2055}
   (( segid "    " and resid 79   and name HG2 ))
   (( segid "    " and resid 79   and name HB2 ))
      6.000     4.500     0.000 peak  2055 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.611 ppm2      2.121 CV     1
 ASSI { 2056}
   (( segid "    " and resid 79   and name HG2 ))
   (( segid "    " and resid 78   and name HB1 ))
      6.000     4.500     0.000 peak  2056 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.611 ppm2      1.875 CV     1
 ASSI { 2060}
   (( segid "    " and resid 145  and name HG2 ))
   (  segid "    " and resid 146  and name HG2%)
      6.000     4.500     0.000 peak  2060 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.466 ppm2      0.772 CV     1
 OR { 2060}
   (( segid "    " and resid 145  and name HG1 ))
   (  segid "    " and resid 146  and name HG2%)
 ASSI { 2061}
   (( segid "    " and resid 79   and name HG1 ))
   (( segid "    " and resid 79   and name HG2 ))
      6.000     4.500     0.000 peak  2061 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.449 ppm2      2.603 CV     1
 ASSI { 2066}
   (( segid "    " and resid 142  and name HB2 ))
   (( segid "    " and resid 144  and name HN  ))
      6.000     4.500     0.000 peak  2066 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.262 ppm2      9.587 CV     1
 ASSI { 2075}
   (( segid "    " and resid 142  and name HB1 ))
   (( segid "    " and resid 145  and name HN  ))
      6.000     4.500     0.000 peak  2075 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.061 ppm2      6.740 CV     1
 ASSI { 2082}
   (( segid "    " and resid 136  and name HB  ))
   (  segid "    " and resid 136  and name HG2%)
      6.000     4.500     0.000 peak  2082 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.932 ppm2      1.022 CV     1
 OR { 2082}
   (( segid "    " and resid 136  and name HB  ))
   (  segid "    " and resid 136  and name HG1%)
 ASSI { 2091}
   (( segid "    " and resid 41   and name HB2 ))
   (( segid "    " and resid 41   and name HD2 ))
      6.000     4.500     0.000 peak  2091 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.675 ppm2      3.197 CV     1
 OR { 2091}
   (( segid "    " and resid 41   and name HB1 ))
   (( segid "    " and resid 41   and name HD2 ))
 ASSI { 2094}
   (( segid "    " and resid 41   and name HB2 ))
   (( segid "    " and resid 41   and name HG1 ))
      6.000     4.500     0.000 peak  2094 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.668 ppm2      1.136 CV     1
 OR { 2094}
   (( segid "    " and resid 41   and name HB1 ))
   (( segid "    " and resid 41   and name HG1 ))
 ASSI { 2104}
   (( segid "    " and resid 145  and name HG2 ))
   (( segid "    " and resid 145  and name HA  ))
      6.000     4.500     0.000 peak  2104 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.472 ppm2      4.230 CV     1
 OR { 2104}
   (( segid "    " and resid 145  and name HG1 ))
   (( segid "    " and resid 145  and name HA  ))
 ASSI { 2105}
   (( segid "    " and resid 145  and name HG2 ))
   (( segid "    " and resid 146  and name HA  ))
      6.000     4.500     0.000 peak  2105 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.472 ppm2      3.641 CV     1
 OR { 2105}
   (( segid "    " and resid 145  and name HG1 ))
   (( segid "    " and resid 146  and name HA  ))
 ASSI { 2106}
   (( segid "    " and resid 145  and name HG2 ))
   (( segid "    " and resid 148  and name HB2 ))
      6.000     4.500     0.000 peak  2106 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.479 ppm2      3.254 CV     1
 OR { 2106}
   (( segid "    " and resid 145  and name HG1 ))
   (( segid "    " and resid 148  and name HB2 ))
 ASSI { 2109}
   (( segid "    " and resid 145  and name HG2 ))
   (  segid "    " and resid 149  and name HG2%)
      6.000     4.500     0.000 peak  2109 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.470 ppm2      1.264 CV     1
 OR { 2109}
   (( segid "    " and resid 145  and name HG1 ))
   (  segid "    " and resid 149  and name HG2%)
 ASSI { 2110}
   (( segid "    " and resid 145  and name HG2 ))
   (( segid "    " and resid 146  and name HG12))
      6.000     4.500     0.000 peak  2110 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.477 ppm2      0.967 CV     1
 OR { 2110}
   (( segid "    " and resid 145  and name HG1 ))
   (( segid "    " and resid 146  and name HG12))
 ASSI { 2117}
   (( segid "    " and resid 50   and name HG1 ))
   (( segid "    " and resid 48   and name HA  ))
      6.000     4.500     0.000 peak  2117 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.307 ppm2      4.245 CV     1
 OR { 2117}
   (( segid "    " and resid 50   and name HG2 ))
   (( segid "    " and resid 48   and name HA  ))
 ASSI { 2118}
   (( segid "    " and resid 50   and name HG1 ))
   (( segid "    " and resid 51   and name HD1 ))
      6.000     4.500     0.000 peak  2118 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.308 ppm2      3.543 CV     1
 ASSI { 2119}
   (( segid "    " and resid 50   and name HG2 ))
   (( segid "    " and resid 91   and name HB1 ))
      6.000     4.500     0.000 peak  2119 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.304 ppm2      1.827 CV     1
 OR { 2119}
   (( segid "    " and resid 50   and name HG1 ))
   (( segid "    " and resid 91   and name HB1 ))
 ASSI { 2125}
   (( segid "    " and resid 142  and name HB2 ))
   (( segid "    " and resid 145  and name HN  ))
      6.000     4.500     0.000 peak  2125 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.264 ppm2      6.734 CV     1
 ASSI { 2126}
   (( segid "    " and resid 142  and name HB2 ))
   (( segid "    " and resid 142  and name HG2 ))
      6.000     4.500     0.000 peak  2126 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.269 ppm2      2.655 CV     1
 ASSI { 2127}
   (( segid "    " and resid 142  and name HB2 ))
   (( segid "    " and resid 142  and name HN  ))
      6.000     4.500     0.000 peak  2127 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.257 ppm2      9.266 CV     1
 ASSI { 2128}
   (( segid "    " and resid 142  and name HB2 ))
   (( segid "    " and resid 145  and name HA  ))
      6.000     4.500     0.000 peak  2128 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.254 ppm2      4.231 CV     1
 ASSI { 2129}
   (( segid "    " and resid 142  and name HB2 ))
   (  segid "    " and resid 136  and name HG2%)
      6.000     4.500     0.000 peak  2129 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.254 ppm2      1.023 CV     1
 ASSI { 2133}
   (( segid "    " and resid 142  and name HB1 ))
   (( segid "    " and resid 142  and name HN  ))
      6.000     4.500     0.000 peak  2133 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.077 ppm2      9.267 CV     1
 ASSI { 2147}
   (( segid "    " and resid 99   and name HG2 ))
   (( segid "    " and resid 99   and name HG1 ))
      6.000     4.500     0.000 peak  2147 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.650 ppm2      2.172 CV     1
 ASSI { 2148}
   (( segid "    " and resid 99   and name HG2 ))
   (  segid "    " and resid 6    and name HB% )
      6.000     4.500     0.000 peak  2148 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.645 ppm2      1.761 CV     1
 ASSI { 2154}
   (( segid "    " and resid 83   and name HB  ))
   (( segid "    " and resid 84   and name HG1 ))
      6.000     4.500     0.000 peak  2154 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.057 ppm2      1.198 CV     1
 ASSI { 2155}
   (( segid "    " and resid 83   and name HB  ))
   (  segid "    " and resid 83   and name HG2%)
      6.000     4.500     0.000 peak  2155 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.049 ppm2      0.965 CV     1
 OR { 2155}
   (( segid "    " and resid 83   and name HB  ))
   (  segid "    " and resid 83   and name HG1%)
 ASSI { 2156}
   (( segid "    " and resid 157  and name HB2 ))
   (( segid "    " and resid 157  and name HE1 ))
      6.000     4.500     0.000 peak  2156 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.970 ppm2      2.966 CV     1
 OR { 2156}
   (( segid "    " and resid 157  and name HB2 ))
   (( segid "    " and resid 157  and name HE2 ))
 ASSI { 2159}
   (( segid "    " and resid 85   and name HB2 ))
   (( segid "    " and resid 85   and name HG2 ))
      6.000     4.500     0.000 peak  2159 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.794 ppm2      1.372 CV     1
 ASSI { 2161}
   (( segid "    " and resid 157  and name HB1 ))
   (( segid "    " and resid 157  and name HE2 ))
      6.000     4.500     0.000 peak  2161 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.782 ppm2      2.949 CV     1
 OR { 2161}
   (( segid "    " and resid 157  and name HB1 ))
   (( segid "    " and resid 157  and name HE1 ))
 ASSI { 2162}
   (( segid "    " and resid 85   and name HB1 ))
   (( segid "    " and resid 85   and name HA  ))
      6.000     4.500     0.000 peak  2162 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.642 ppm2      4.362 CV     1
 ASSI { 2163}
   (( segid "    " and resid 85   and name HB1 ))
   (( segid "    " and resid 85   and name HG2 ))
      6.000     4.500     0.000 peak  2163 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.643 ppm2      1.370 CV     1
 ASSI { 2166}
   (( segid "    " and resid 142  and name HG1 ))
   (( segid "    " and resid 142  and name HB1 ))
      6.000     4.500     0.000 peak  2166 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.802 ppm2      2.082 CV     1
 ASSI { 2169}
   (( segid "    " and resid 105  and name HB  ))
   (  segid "    " and resid 105  and name HG1%)
      6.000     4.500     0.000 peak  2169 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.999 ppm2      1.016 CV     1
 OR { 2169}
   (( segid "    " and resid 105  and name HB  ))
   (  segid "    " and resid 105  and name HG2%)
 ASSI { 2172}
   (( segid "    " and resid 157  and name HB1 ))
   (( segid "    " and resid 157  and name HG2 ))
      6.000     4.500     0.000 peak  2172 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.764 ppm2      1.169 CV     1
 ASSI { 2178}
   (( segid "    " and resid 142  and name HG1 ))
   (  segid "    " and resid 136  and name HG2%)
      6.000     4.500     0.000 peak  2178 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.799 ppm2      1.026 CV     1
 ASSI { 2180}
   (( segid "    " and resid 142  and name HG2 ))
   (  segid "    " and resid 136  and name HG2%)
      6.000     4.500     0.000 peak  2180 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.654 ppm2      1.030 CV     1
 ASSI { 2183}
   (( segid "    " and resid 29   and name HB2 ))
   (( segid "    " and resid 30   and name HA  ))
      6.000     4.500     0.000 peak  2183 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.382 ppm2      3.901 CV     1
 ASSI { 2184}
   (( segid "    " and resid 29   and name HB2 ))
   (( segid "    " and resid 30   and name HN  ))
      6.000     4.500     0.000 peak  2184 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.375 ppm2      8.887 CV     1
 ASSI { 2186}
   (( segid "    " and resid 29   and name HB2 ))
   (( segid "    " and resid 29   and name HD2 ))
      6.000     4.500     0.000 peak  2186 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.371 ppm2      3.641 CV     1
 ASSI { 2187}
   (( segid "    " and resid 29   and name HB2 ))
   (( segid "    " and resid 29   and name HB1 ))
      6.000     4.500     0.000 peak  2187 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.374 ppm2      1.881 CV     1
 ASSI { 2188}
   (( segid "    " and resid 29   and name HB2 ))
   (( segid "    " and resid 28   and name HB  ))
      6.000     4.500     0.000 peak  2188 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.371 ppm2      1.518 CV     1
 ASSI { 2189}
   (( segid "    " and resid 29   and name HB2 ))
   (  segid "    " and resid 64   and name HD2%)
      6.000     4.500     0.000 peak  2189 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.374 ppm2      0.734 CV     1
 OR { 2189}
   (( segid "    " and resid 29   and name HB2 ))
   (  segid "    " and resid 64   and name HD1%)
 ASSI { 2194}
   (( segid "    " and resid 91   and name HB2 ))
   (( segid "    " and resid 11   and name HG  ))
      6.000     4.500     0.000 peak  2194 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.279 ppm2      0.867 CV     1
 ASSI { 2197}
   (( segid "    " and resid 51   and name HB2 ))
   (( segid "    " and resid 52   and name HN  ))
      6.000     4.500     0.000 peak  2197 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.015 ppm2      7.994 CV     1
 ASSI { 2199}
   (( segid "    " and resid 29   and name HB1 ))
   (( segid "    " and resid 28   and name HB  ))
      6.000     4.500     0.000 peak  2199 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.891 ppm2      1.522 CV     1
 ASSI { 2202}
   (( segid "    " and resid 29   and name HB1 ))
   (( segid "    " and resid 29   and name HD1 ))
      6.000     4.500     0.000 peak  2202 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.874 ppm2      2.734 CV     1
 ASSI { 2204}
   (( segid "    " and resid 29   and name HB1 ))
   (( segid "    " and resid 64   and name HG  ))
      6.000     4.500     0.000 peak  2204 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.877 ppm2      0.747 CV     1
 ASSI { 2205}
   (( segid "    " and resid 29   and name HB1 ))
   (  segid "    " and resid 28   and name HG2%)
      6.000     4.500     0.000 peak  2205 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.872 ppm2      0.610 CV     1
 ASSI { 2206}
   (( segid "    " and resid 29   and name HB1 ))
   (( segid "    " and resid 29   and name HD2 ))
      6.000     4.500     0.000 peak  2206 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.870 ppm2      3.620 CV     1
 ASSI { 2209}
   (( segid "    " and resid 110  and name HB2 ))
   (( segid "    " and resid 110  and name HD1 ))
      6.000     4.500     0.000 peak  2209 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.631 ppm2      3.231 CV     1
 OR { 2209}
   (( segid "    " and resid 110  and name HB2 ))
   (( segid "    " and resid 110  and name HD2 ))
 ASSI { 2217}
   (( segid "    " and resid 47   and name HB2 ))
   (( segid "    " and resid 48   and name HN  ))
      6.000     4.500     0.000 peak  2217 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.312 ppm2      8.502 CV     1
 ASSI { 2218}
   (( segid "    " and resid 47   and name HB2 ))
   (( segid "    " and resid 47   and name HD2 ))
      6.000     4.500     0.000 peak  2218 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.306 ppm2      3.667 CV     1
 OR { 2218}
   (( segid "    " and resid 47   and name HB2 ))
   (( segid "    " and resid 47   and name HD1 ))
 ASSI { 2224}
   (( segid "    " and resid 44   and name HB1 ))
   (( segid "    " and resid 44   and name HD1 ))
      6.000     4.500     0.000 peak  2224 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.165 ppm2      3.956 CV     1
 OR { 2224}
   (( segid "    " and resid 44   and name HB2 ))
   (( segid "    " and resid 44   and name HD1 ))
 ASSI { 2229}
   (( segid "    " and resid 47   and name HB1 ))
   (( segid "    " and resid 44   and name HA  ))
      6.000     4.500     0.000 peak  2229 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.927 ppm2      4.380 CV     1
 ASSI { 2230}
   (( segid "    " and resid 91   and name HB1 ))
   (( segid "    " and resid 91   and name HB2 ))
      6.000     4.500     0.000 peak  2230 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.865 ppm2      2.266 CV     1
 ASSI { 2231}
   (( segid "    " and resid 91   and name HB1 ))
   (( segid "    " and resid 11   and name HG  ))
      6.000     4.500     0.000 peak  2231 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.867 ppm2      0.882 CV     1
 ASSI { 2235}
   (( segid "    " and resid 110  and name HB2 ))
   (  segid "    " and resid 70   and name HD1%)
      6.000     4.500     0.000 peak  2235 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.638 ppm2      0.467 CV     1
 ASSI { 2239}
   (( segid "    " and resid 154  and name HB2 ))
   (( segid "    " and resid 154  and name HN  ))
      6.000     4.500     0.000 peak  2239 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.366 ppm2      8.388 CV     1
 OR { 2239}
   (( segid "    " and resid 154  and name HB1 ))
   (( segid "    " and resid 154  and name HN  ))
 ASSI { 2240}
   (( segid "    " and resid 154  and name HB1 ))
   (( segid "    " and resid 155  and name HN  ))
      6.000     4.500     0.000 peak  2240 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.367 ppm2      7.438 CV     1
 OR { 2240}
   (( segid "    " and resid 154  and name HB2 ))
   (( segid "    " and resid 155  and name HN  ))
 ASSI { 2241}
   (( segid "    " and resid 154  and name HB2 ))
   (( segid "    " and resid 126  and name HB1 ))
      6.000     4.500     0.000 peak  2241 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.368 ppm2      2.970 CV     1
 OR { 2241}
   (( segid "    " and resid 154  and name HB1 ))
   (( segid "    " and resid 126  and name HB1 ))
 ASSI { 2242}
   (( segid "    " and resid 154  and name HB2 ))
   (( segid "    " and resid 154  and name HG1 ))
      6.000     4.500     0.000 peak  2242 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.368 ppm2      1.021 CV     1
 OR { 2242}
   (( segid "    " and resid 154  and name HB1 ))
   (( segid "    " and resid 154  and name HG1 ))
 ASSI { 2243}
   (( segid "    " and resid 154  and name HB2 ))
   (( segid "    " and resid 154  and name HG2 ))
      6.000     4.500     0.000 peak  2243 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.364 ppm2      0.714 CV     1
 OR { 2243}
   (( segid "    " and resid 154  and name HB1 ))
   (( segid "    " and resid 154  and name HG2 ))
 ASSI { 2244}
   (( segid "    " and resid 110  and name HB1 ))
   (( segid "    " and resid 111  and name HN  ))
      6.000     4.500     0.000 peak  2244 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.360 ppm2      7.602 CV     1
 ASSI { 2245}
   (( segid "    " and resid 110  and name HB1 ))
   (( segid "    " and resid 110  and name HD1 ))
      6.000     4.500     0.000 peak  2245 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.358 ppm2      3.232 CV     1
 OR { 2245}
   (( segid "    " and resid 110  and name HB1 ))
   (( segid "    " and resid 110  and name HD2 ))
 ASSI { 2247}
   (( segid "    " and resid 110  and name HB1 ))
   (  segid "    " and resid 70   and name HD1%)
      6.000     4.500     0.000 peak  2247 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.359 ppm2      0.457 CV     1
 ASSI { 2250}
   (( segid "    " and resid 72   and name HB2 ))
   (( segid "    " and resid 72   and name HB1 ))
      6.000     4.500     0.000 peak  2250 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.423 ppm2      2.939 CV     1
 ASSI { 2252}
   (( segid "    " and resid 72   and name HB2 ))
   (( segid "    " and resid 72   and name HD2 ))
      6.000     4.500     0.000 peak  2252 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.416 ppm2      7.221 CV     1
 ASSI { 2255}
   (( segid "    " and resid 72   and name HB2 ))
   (  segid "    " and resid 28   and name HD1%)
      6.000     4.500     0.000 peak  2255 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.413 ppm2      0.774 CV     1
 ASSI { 2256}
   (( segid "    " and resid 72   and name HB2 ))
   (  segid "    " and resid 28   and name HG2%)
      6.000     4.500     0.000 peak  2256 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.416 ppm2      0.629 CV     1
 ASSI { 2260}
   (( segid "    " and resid 72   and name HB1 ))
   (  segid "    " and resid 28   and name HD1%)
      6.000     4.500     0.000 peak  2260 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.947 ppm2      0.773 CV     1
 ASSI { 2261}
   (( segid "    " and resid 72   and name HB1 ))
   (  segid "    " and resid 28   and name HG2%)
      6.000     4.500     0.000 peak  2261 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.939 ppm2      0.602 CV     1
 ASSI { 2264}
   (( segid "    " and resid 138  and name HB1 ))
   (( segid "    " and resid 138  and name HD1 ))
      6.000     4.500     0.000 peak  2264 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.387 ppm2      4.024 CV     1
 OR { 2264}
   (( segid "    " and resid 138  and name HB1 ))
   (( segid "    " and resid 138  and name HD2 ))
 ASSI { 2271}
   (( segid "    " and resid 23   and name HB1 ))
   (( segid "    " and resid 23   and name HG2 ))
      6.000     4.500     0.000 peak  2271 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.936 ppm2      1.513 CV     1
 OR { 2271}
   (( segid "    " and resid 23   and name HB2 ))
   (( segid "    " and resid 23   and name HG2 ))
 ASSI { 2282}
   (( segid "    " and resid 119  and name HB1 ))
   (( segid "    " and resid 119  and name HN  ))
      6.000     4.500     0.000 peak  2282 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.482 ppm2      8.068 CV     1
 ASSI { 2286}
   (( segid "    " and resid 115  and name HB1 ))
   (( segid "    " and resid 118  and name HG2 ))
      6.000     4.500     0.000 peak  2286 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.695 ppm2      2.122 CV     1
 ASSI { 2287}
   (( segid "    " and resid 115  and name HB1 ))
   (( segid "    " and resid 118  and name HB2 ))
      6.000     4.500     0.000 peak  2287 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.699 ppm2      1.944 CV     1
 ASSI { 2288}
   (( segid "    " and resid 115  and name HB1 ))
   (( segid "    " and resid 138  and name HB2 ))
      6.000     4.500     0.000 peak  2288 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.700 ppm2      1.849 CV     1
 ASSI { 2289}
   (( segid "    " and resid 115  and name HB1 ))
   (( segid "    " and resid 115  and name HB2 ))
      6.000     4.500     0.000 peak  2289 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.684 ppm2      2.989 CV     1
 ASSI { 2294}
   (( segid "    " and resid 115  and name HB2 ))
   (( segid "    " and resid 118  and name HG2 ))
      6.000     4.500     0.000 peak  2294 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.992 ppm2      2.147 CV     1
 ASSI { 2295}
   (( segid "    " and resid 115  and name HB2 ))
   (( segid "    " and resid 118  and name HB2 ))
      6.000     4.500     0.000 peak  2295 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.996 ppm2      1.951 CV     1
 ASSI { 2300}
   (( segid "    " and resid 23   and name HB2 ))
   (( segid "    " and resid 23   and name HD1 ))
      6.000     4.500     0.000 peak  2300 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.921 ppm2      1.687 CV     1
 OR { 2300}
   (( segid "    " and resid 23   and name HB2 ))
   (( segid "    " and resid 23   and name HD2 ))
 OR { 2300}
   (( segid "    " and resid 23   and name HB1 ))
   (( segid "    " and resid 23   and name HD1 ))
 OR { 2300}
   (( segid "    " and resid 23   and name HB1 ))
   (( segid "    " and resid 23   and name HD2 ))
 ASSI { 2307}
   (( segid "    " and resid 32   and name HB2 ))
   (( segid "    " and resid 32   and name HD2 ))
      6.000     4.500     0.000 peak  2307 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.331 ppm2      6.963 CV     1
 ASSI { 2310}
   (( segid "    " and resid 32   and name HB2 ))
   (( segid "    " and resid 32   and name HB1 ))
      6.000     4.500     0.000 peak  2310 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.319 ppm2      3.111 CV     1
 ASSI { 2315}
   (( segid "    " and resid 32   and name HB1 ))
   (( segid "    " and resid 33   and name HB  ))
      6.000     4.500     0.000 peak  2315 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.110 ppm2      1.765 CV     1
 ASSI { 2317}
   (( segid "    " and resid 32   and name HB1 ))
   (( segid "    " and resid 32   and name HD2 ))
      6.000     4.500     0.000 peak  2317 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.105 ppm2      6.971 CV     1
 ASSI { 2320}
   (( segid "    " and resid 2    and name HB  ))
   (( segid "    " and resid 2    and name HA  ))
      6.000     4.500     0.000 peak  2320 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.756 ppm2      4.214 CV     1
 ASSI { 2321}
   (( segid "    " and resid 2    and name HB  ))
   (  segid "    " and resid 2    and name HG2%)
      6.000     4.500     0.000 peak  2321 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.748 ppm2      0.759 CV     1
 ASSI { 2322}
   (( segid "    " and resid 2    and name HB  ))
   (  segid "    " and resid 2    and name HG1%)
      6.000     4.500     0.000 peak  2322 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.749 ppm2      0.125 CV     1
 ASSI { 2328}
   (( segid "    " and resid 77   and name HB2 ))
   (( segid "    " and resid 94   and name HG  ))
      6.000     4.500     0.000 peak  2328 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.579 ppm2      0.806 CV     1
 ASSI { 2332}
   (( segid "    " and resid 43   and name HB2 ))
   (( segid "    " and resid 43   and name HB1 ))
      6.000     4.500     0.000 peak  2332 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.489 ppm2      1.999 CV     1
 ASSI { 2333}
   (( segid "    " and resid 104  and name HB1 ))
   (( segid "    " and resid 104  and name HG1 ))
      6.000     4.500     0.000 peak  2333 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.384 ppm2      2.500 CV     1
 ASSI { 2338}
   (( segid "    " and resid 104  and name HB1 ))
   (( segid "    " and resid 104  and name HA  ))
      6.000     4.500     0.000 peak  2338 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.371 ppm2      4.229 CV     1
 ASSI { 2339}
   (( segid "    " and resid 104  and name HB1 ))
   (  segid "    " and resid 106  and name HD1%)
      6.000     4.500     0.000 peak  2339 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.374 ppm2      0.619 CV     1
 ASSI { 2349}
   (( segid "    " and resid 104  and name HB2 ))
   (  segid "    " and resid 106  and name HD1%)
      6.000     4.500     0.000 peak  2349 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.167 ppm2      0.615 CV     1
 ASSI { 2350}
   (( segid "    " and resid 104  and name HB2 ))
   (( segid "    " and resid 104  and name HG1 ))
      6.000     4.500     0.000 peak  2350 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.154 ppm2      2.519 CV     1
 ASSI { 2351}
   (( segid "    " and resid 104  and name HB2 ))
   (( segid "    " and resid 104  and name HB1 ))
      6.000     4.500     0.000 peak  2351 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.152 ppm2      2.368 CV     1
 ASSI { 2352}
   (( segid "    " and resid 104  and name HB2 ))
   (( segid "    " and resid 106  and name HB  ))
      6.000     4.500     0.000 peak  2352 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.153 ppm2      1.401 CV     1
 ASSI { 2356}
   (( segid "    " and resid 43   and name HB1 ))
   (( segid "    " and resid 43   and name HA  ))
      6.000     4.500     0.000 peak  2356 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.996 ppm2      5.104 CV     1
 ASSI { 2357}
   (( segid "    " and resid 43   and name HB1 ))
   (( segid "    " and resid 44   and name HD2 ))
      6.000     4.500     0.000 peak  2357 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.992 ppm2      3.738 CV     1
 ASSI { 2364}
   (( segid "    " and resid 18   and name HB  ))
   (( segid "    " and resid 15   and name HA  ))
      6.000     4.500     0.000 peak  2364 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.592 ppm2      3.453 CV     1
 ASSI { 2365}
   (( segid "    " and resid 18   and name HB  ))
   (  segid "    " and resid 54   and name HD2%)
      6.000     4.500     0.000 peak  2365 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.594 ppm2      0.166 CV     1
 ASSI { 2370}
   (( segid "    " and resid 121  and name HB1 ))
   (( segid "    " and resid 121  and name HB2 ))
      6.000     4.500     0.000 peak  2370 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.967 ppm2     -0.373 CV     1
 ASSI { 2374}
   (( segid "    " and resid 77   and name HB2 ))
   (( segid "    " and resid 76   and name HB  ))
      6.000     4.500     0.000 peak  2374 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.607 ppm2      1.906 CV     1
 ASSI { 2377}
   (( segid "    " and resid 77   and name HB2 ))
   (( segid "    " and resid 77   and name HB1 ))
      6.000     4.500     0.000 peak  2377 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.592 ppm2      1.863 CV     1
 ASSI { 2380}
   (( segid "    " and resid 43   and name HB2 ))
   (( segid "    " and resid 51   and name HG1 ))
      6.000     4.500     0.000 peak  2380 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.488 ppm2      1.861 CV     1
 OR { 2380}
   (( segid "    " and resid 43   and name HB2 ))
   (( segid "    " and resid 51   and name HG2 ))
 ASSI { 2383}
   (( segid "    " and resid 144  and name HB1 ))
   (( segid "    " and resid 144  and name HA  ))
      6.000     4.500     0.000 peak  2383 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.125 ppm2      3.516 CV     1
 ASSI { 2384}
   (( segid "    " and resid 144  and name HB1 ))
   (( segid "    " and resid 125  and name HB1 ))
      6.000     4.500     0.000 peak  2384 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.121 ppm2      0.942 CV     1
 ASSI { 2385}
   (( segid "    " and resid 144  and name HB1 ))
   (( segid "    " and resid 125  and name HN  ))
      6.000     6.000     0.000 peak  2385 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.114 ppm2      7.471 CV     1
 ASSI { 2386}
   (( segid "    " and resid 144  and name HB1 ))
   (( segid "    " and resid 144  and name HG2 ))
      6.000     4.500     0.000 peak  2386 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.117 ppm2      1.606 CV     1
 OR { 2386}
   (( segid "    " and resid 144  and name HB1 ))
   (( segid "    " and resid 144  and name HG1 ))
 ASSI { 2400}
   (( segid "    " and resid 77   and name HB1 ))
   (( segid "    " and resid 77   and name HN  ))
      6.000     4.500     0.000 peak  2400 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.859 ppm2      8.309 CV     1
 ASSI { 2402}
   (( segid "    " and resid 77   and name HB1 ))
   (( segid "    " and resid 94   and name HG  ))
      6.000     4.500     0.000 peak  2402 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.858 ppm2      0.766 CV     1
 ASSI { 2403}
   (( segid "    " and resid 77   and name HB1 ))
   (( segid "    " and resid 77   and name HA  ))
      6.000     4.500     0.000 peak  2403 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.847 ppm2      3.694 CV     1
 ASSI { 2405}
   (( segid "    " and resid 77   and name HB1 ))
   (  segid "    " and resid 96   and name HD2%)
      6.000     4.500     0.000 peak  2405 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.853 ppm2      0.943 CV     1
 OR { 2405}
   (( segid "    " and resid 77   and name HB1 ))
   (  segid "    " and resid 96   and name HD1%)
 ASSI { 2410}
   (( segid "    " and resid 144  and name HB2 ))
   (( segid "    " and resid 144  and name HB1 ))
      6.000     4.500     0.000 peak  2410 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.797 ppm2      2.125 CV     1
 ASSI { 2414}
   (( segid "    " and resid 144  and name HB2 ))
   (( segid "    " and resid 144  and name HD1 ))
      6.000     4.500     0.000 peak  2414 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.791 ppm2      3.255 CV     1
 OR { 2414}
   (( segid "    " and resid 144  and name HB2 ))
   (( segid "    " and resid 144  and name HD2 ))
 ASSI { 2420}
   (( segid "    " and resid 84   and name HB1 ))
   (( segid "    " and resid 84   and name HA  ))
      6.000     4.500     0.000 peak  2420 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.600 ppm2      4.320 CV     1
 ASSI { 2421}
   (( segid "    " and resid 84   and name HB1 ))
   (( segid "    " and resid 84   and name HD2 ))
      6.000     4.500     0.000 peak  2421 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.602 ppm2      2.532 CV     1
 OR { 2421}
   (( segid "    " and resid 84   and name HB1 ))
   (( segid "    " and resid 84   and name HD1 ))
 ASSI { 2422}
   (( segid "    " and resid 18   and name HB  ))
   (  segid "    " and resid 54   and name HD1%)
      6.000     4.500     0.000 peak  2422 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.597 ppm2     -0.517 CV     1
 ASSI { 2424}
   (( segid "    " and resid 18   and name HB  ))
   (( segid "    " and resid 18   and name HN  ))
      6.000     4.500     0.000 peak  2424 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.589 ppm2      8.520 CV     1
 ASSI { 2427}
   (( segid "    " and resid 84   and name HB1 ))
   (( segid "    " and resid 84   and name HB2 ))
      6.000     4.500     0.000 peak  2427 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.597 ppm2      1.275 CV     1
 ASSI { 2429}
   (( segid "    " and resid 18   and name HB  ))
   (  segid "    " and resid 94   and name HD1%)
      6.000     4.500     0.000 peak  2429 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.591 ppm2      0.749 CV     1
 OR { 2429}
   (( segid "    " and resid 18   and name HB  ))
   (  segid "    " and resid 94   and name HD2%)
 ASSI { 2430}
   (( segid "    " and resid 18   and name HB  ))
   (  segid "    " and resid 18   and name HG2%)
      6.000     4.500     0.000 peak  2430 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.587 ppm2      0.646 CV     1
 ASSI { 2431}
   (( segid "    " and resid 18   and name HB  ))
   (  segid "    " and resid 18   and name HG1%)
      6.000     4.500     0.000 peak  2431 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.588 ppm2      0.295 CV     1
 ASSI { 2434}
   (( segid "    " and resid 148  and name HB2 ))
   (  segid "    " and resid 149  and name HG2%)
      6.000     4.500     0.000 peak  2434 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.265 ppm2      1.261 CV     1
 ASSI { 2435}
   (( segid "    " and resid 148  and name HB2 ))
   (( segid "    " and resid 149  and name HN  ))
      6.000     4.500     0.000 peak  2435 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.256 ppm2      8.290 CV     1
 ASSI { 2436}
   (( segid "    " and resid 148  and name HB2 ))
   (( segid "    " and resid 148  and name HN  ))
      6.000     4.500     0.000 peak  2436 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.254 ppm2      7.563 CV     1
 ASSI { 2437}
   (( segid "    " and resid 148  and name HB2 ))
   (( segid "    " and resid 145  and name HA  ))
      6.000     4.500     0.000 peak  2437 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.253 ppm2      4.228 CV     1
 ASSI { 2438}
   (( segid "    " and resid 148  and name HB2 ))
   (( segid "    " and resid 147  and name HN  ))
      6.000     4.500     0.000 peak  2438 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.250 ppm2      7.415 CV     1
 ASSI { 2439}
   (( segid "    " and resid 148  and name HB2 ))
   (( segid "    " and resid 148  and name HD2 ))
      6.000     4.500     0.000 peak  2439 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.249 ppm2      6.980 CV     1
 ASSI { 2440}
   (( segid "    " and resid 148  and name HB2 ))
   (( segid "    " and resid 148  and name HA  ))
      6.000     4.500     0.000 peak  2440 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.245 ppm2      4.444 CV     1
 ASSI { 2444}
   (( segid "    " and resid 148  and name HB1 ))
   (  segid "    " and resid 149  and name HG2%)
      6.000     4.500     0.000 peak  2444 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.177 ppm2      1.255 CV     1
 ASSI { 2445}
   (( segid "    " and resid 148  and name HB1 ))
   (( segid "    " and resid 149  and name HN  ))
      6.000     4.500     0.000 peak  2445 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.169 ppm2      8.287 CV     1
 ASSI { 2446}
   (( segid "    " and resid 148  and name HB1 ))
   (( segid "    " and resid 148  and name HN  ))
      6.000     4.500     0.000 peak  2446 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.172 ppm2      7.563 CV     1
 ASSI { 2447}
   (( segid "    " and resid 148  and name HB1 ))
   (( segid "    " and resid 148  and name HD2 ))
      6.000     4.500     0.000 peak  2447 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.172 ppm2      6.987 CV     1
 ASSI { 2449}
   (( segid "    " and resid 148  and name HB1 ))
   (( segid "    " and resid 145  and name HA  ))
      6.000     4.500     0.000 peak  2449 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.165 ppm2      4.226 CV     1
 ASSI { 2450}
   (( segid "    " and resid 148  and name HB1 ))
   (( segid "    " and resid 144  and name HA  ))
      6.000     4.500     0.000 peak  2450 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.171 ppm2      3.514 CV     1
 ASSI { 2453}
   (( segid "    " and resid 127  and name HB1 ))
   (( segid "    " and resid 126  and name HD1 ))
      6.000     4.500     0.000 peak  2453 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.619 ppm2      6.791 CV     1
 ASSI { 2455}
   (( segid "    " and resid 127  and name HB1 ))
   (( segid "    " and resid 127  and name HD2 ))
      6.000     4.500     0.000 peak  2455 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.618 ppm2      3.234 CV     1
 ASSI { 2456}
   (( segid "    " and resid 127  and name HB1 ))
   (( segid "    " and resid 127  and name HG1 ))
      6.000     4.500     0.000 peak  2456 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.624 ppm2      1.440 CV     1
 ASSI { 2457}
   (( segid "    " and resid 127  and name HB1 ))
   (  segid "    " and resid 57   and name HB% )
      6.000     4.500     0.000 peak  2457 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.624 ppm2      1.352 CV     1
 ASSI { 2461}
   (( segid "    " and resid 127  and name HB2 ))
   (  segid "    " and resid 40   and name HD% )
      6.000     4.500     0.000 peak  2461 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.930 ppm2      7.146 CV     1
 ASSI { 2476}
   (( segid "    " and resid 141  and name HB1 ))
   (( segid "    " and resid 141  and name HG1 ))
      6.000     4.500     0.000 peak  2476 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.759 ppm2      2.270 CV     1
 ASSI { 2477}
   (( segid "    " and resid 141  and name HB1 ))
   (( segid "    " and resid 141  and name HG2 ))
      6.000     4.500     0.000 peak  2477 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.761 ppm2      2.059 CV     1
 ASSI { 2484}
   (( segid "    " and resid 66   and name HB2 ))
   (( segid "    " and resid 66   and name HB1 ))
      6.000     4.500     0.000 peak  2484 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.260 ppm2      0.506 CV     1
 ASSI { 2487}
   (( segid "    " and resid 66   and name HB1 ))
   (( segid "    " and resid 66   and name HG2 ))
      6.000     4.500     0.000 peak  2487 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.520 ppm2      1.716 CV     1
 ASSI { 2488}
   (( segid "    " and resid 66   and name HB1 ))
   (  segid "    " and resid 62   and name HG2%)
      6.000     4.500     0.000 peak  2488 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.522 ppm2      1.102 CV     1
 ASSI { 2496}
   (( segid "    " and resid 118  and name HG1 ))
   (( segid "    " and resid 118  and name HB2 ))
      6.000     4.500     0.000 peak  2496 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.291 ppm2      1.960 CV     1
 ASSI { 2500}
   (( segid "    " and resid 148  and name HB2 ))
   (( segid "    " and resid 144  and name HB2 ))
      6.000     4.500     0.000 peak  2500 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.273 ppm2      1.810 CV     1
 ASSI { 2503}
   (( segid "    " and resid 148  and name HB1 ))
   (( segid "    " and resid 152  and name HN  ))
      6.000     4.500     0.000 peak  2503 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.178 ppm2      7.226 CV     1
 ASSI { 2504}
   (( segid "    " and resid 148  and name HB1 ))
   (( segid "    " and resid 144  and name HB1 ))
      6.000     4.500     0.000 peak  2504 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.185 ppm2      2.129 CV     1
 ASSI { 2509}
   (( segid "    " and resid 158  and name HB2 ))
   (( segid "    " and resid 158  and name HB1 ))
      6.000     4.500     0.000 peak  2509 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.126 ppm2      2.803 CV     1
 ASSI { 2511}
   (( segid "    " and resid 158  and name HB2 ))
   (( segid "    " and resid 157  and name HB1 ))
      6.000     4.500     0.000 peak  2511 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.101 ppm2      1.745 CV     1
 ASSI { 2520}
   (( segid "    " and resid 68   and name HB1 ))
   (( segid "    " and resid 71   and name HD21))
      6.000     4.500     0.000 peak  2520 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.154 ppm2      7.169 CV     1
 ASSI { 2521}
   (( segid "    " and resid 50   and name HB2 ))
   (( segid "    " and resid 51   and name HD2 ))
      6.000     4.500     0.000 peak  2521 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.155 ppm2      3.786 CV     1
 OR { 2521}
   (( segid "    " and resid 50   and name HB1 ))
   (( segid "    " and resid 51   and name HD2 ))
 ASSI { 2522}
   (( segid "    " and resid 118  and name HG2 ))
   (( segid "    " and resid 118  and name HG1 ))
      6.000     4.500     0.000 peak  2522 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.151 ppm2      3.304 CV     1
 ASSI { 2523}
   (( segid "    " and resid 118  and name HG2 ))
   (( segid "    " and resid 119  and name HG2 ))
      6.000     4.500     0.000 peak  2523 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.154 ppm2      1.241 CV     1
 ASSI { 2525}
   (( segid "    " and resid 66   and name HB2 ))
   (( segid "    " and resid 67   and name HN  ))
      6.000     4.500     0.000 peak  2525 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.261 ppm2      8.739 CV     1
 ASSI { 2527}
   (( segid "    " and resid 66   and name HB2 ))
   (( segid "    " and resid 69   and name HB1 ))
      6.000     4.500     0.000 peak  2527 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.263 ppm2      2.198 CV     1
 ASSI { 2528}
   (( segid "    " and resid 66   and name HB2 ))
   (( segid "    " and resid 66   and name HG2 ))
      6.000     4.500     0.000 peak  2528 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.263 ppm2      1.720 CV     1
 ASSI { 2531}
   (( segid "    " and resid 66   and name HB2 ))
   (  segid "    " and resid 111  and name HD1%)
      6.000     4.500     0.000 peak  2531 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.253 ppm2      0.312 CV     1
 ASSI { 2535}
   (( segid "    " and resid 66   and name HB1 ))
   (  segid "    " and resid 69   and name HD2%)
      6.000     4.500     0.000 peak  2535 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.520 ppm2      0.940 CV     1
 OR { 2535}
   (( segid "    " and resid 66   and name HB1 ))
   (  segid "    " and resid 69   and name HD1%)
 ASSI { 2540}
   (( segid "    " and resid 130  and name HB2 ))
   (( segid "    " and resid 130  and name HA  ))
      6.000     4.500     0.000 peak  2540 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.642 ppm2      3.874 CV     1
 ASSI { 2543}
   (( segid "    " and resid 130  and name HB2 ))
   (( segid "    " and resid 130  and name HB1 ))
      6.000     4.500     0.000 peak  2543 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.635 ppm2      2.270 CV     1
 OR { 2543}
   (( segid "    " and resid 130  and name HB2 ))
   (( segid "    " and resid 130  and name HG2 ))
 ASSI { 2548}
   (( segid "    " and resid 130  and name HB1 ))
   (( segid "    " and resid 130  and name HB2 ))
      6.000     4.500     0.000 peak  2548 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.289 ppm2      2.625 CV     1
 ASSI { 2549}
   (( segid "    " and resid 130  and name HB1 ))
   (( segid "    " and resid 130  and name HG1 ))
      6.000     4.500     0.000 peak  2549 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.274 ppm2      2.549 CV     1
 ASSI { 2551}
   (( segid "    " and resid 68   and name HB2 ))
   (( segid "    " and resid 68   and name HN  ))
      6.000     4.500     0.000 peak  2551 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.264 ppm2      6.874 CV     1
 ASSI { 2552}
   (( segid "    " and resid 130  and name HB1 ))
   (( segid "    " and resid 130  and name HA  ))
      6.000     4.500     0.000 peak  2552 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.274 ppm2      3.884 CV     1
 ASSI { 2553}
   (( segid "    " and resid 68   and name HB2 ))
   (( segid "    " and resid 68   and name HB1 ))
      6.000     4.500     0.000 peak  2553 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.265 ppm2      2.150 CV     1
 ASSI { 2555}
   (( segid "    " and resid 68   and name HB2 ))
   (  segid "    " and resid 64   and name HD1%)
      6.000     4.500     0.000 peak  2555 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.269 ppm2      0.735 CV     1
 OR { 2555}
   (( segid "    " and resid 68   and name HB2 ))
   (  segid "    " and resid 64   and name HD2%)
 OR { 2555}
   (( segid "    " and resid 68   and name HB2 ))
   (( segid "    " and resid 64   and name HG  ))
 ASSI { 2556}
   (( segid "    " and resid 68   and name HB2 ))
   (( segid "    " and resid 69   and name HN  ))
      6.000     4.500     0.000 peak  2556 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.258 ppm2      8.156 CV     1
 ASSI { 2557}
   (( segid "    " and resid 68   and name HB1 ))
   (( segid "    " and resid 65   and name HN  ))
      6.000     4.500     0.000 peak  2557 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.159 ppm2      8.372 CV     1
 ASSI { 2558}
   (( segid "    " and resid 68   and name HB1 ))
   (( segid "    " and resid 68   and name HN  ))
      6.000     4.500     0.000 peak  2558 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.164 ppm2      6.867 CV     1
 ASSI { 2561}
   (( segid "    " and resid 68   and name HB1 ))
   (  segid "    " and resid 64   and name HD1%)
      6.000     4.500     0.000 peak  2561 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.162 ppm2      0.732 CV     1
 OR { 2561}
   (( segid "    " and resid 68   and name HB1 ))
   (  segid "    " and resid 64   and name HD2%)
 OR { 2561}
   (( segid "    " and resid 68   and name HB1 ))
   (( segid "    " and resid 64   and name HG  ))
 ASSI { 2564}
   (( segid "    " and resid 61   and name HB2 ))
   (( segid "    " and resid 60   and name HG  ))
      6.000     4.500     0.000 peak  2564 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.721 ppm2      1.261 CV     1
 ASSI { 2572}
   (( segid "    " and resid 150  and name HB1 ))
   (( segid "    " and resid 150  and name HN  ))
      6.000     4.500     0.000 peak  2572 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.251 ppm2      7.847 CV     1
 ASSI { 2575}
   (( segid "    " and resid 150  and name HB1 ))
   (( segid "    " and resid 150  and name HD2 ))
      6.000     4.500     0.000 peak  2575 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.256 ppm2      2.950 CV     1
 ASSI { 2576}
   (( segid "    " and resid 150  and name HB1 ))
   (( segid "    " and resid 150  and name HB2 ))
      6.000     4.500     0.000 peak  2576 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.256 ppm2      0.901 CV     1
 ASSI { 2577}
   (( segid "    " and resid 150  and name HB2 ))
   (( segid "    " and resid 150  and name HD2 ))
      6.000     4.500     0.000 peak  2577 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.923 ppm2      2.955 CV     1
 ASSI { 2585}
   (( segid "    " and resid 75   and name HB1 ))
   (( segid "    " and resid 75   and name HD2 ))
      6.000     4.500     0.000 peak  2585 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.283 ppm2      3.316 CV     1
 ASSI { 2587}
   (( segid "    " and resid 17   and name HB2 ))
   (( segid "    " and resid 77   and name HB1 ))
      6.000     4.500     0.000 peak  2587 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.269 ppm2      1.875 CV     1
 ASSI { 2590}
   (( segid "    " and resid 109  and name HB1 ))
   (( segid "    " and resid 111  and name HN  ))
      6.000     4.500     0.000 peak  2590 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.031 ppm2      7.607 CV     1
 OR { 2590}
   (( segid "    " and resid 109  and name HB2 ))
   (( segid "    " and resid 111  and name HN  ))
 ASSI { 2596}
   (( segid "    " and resid 75   and name HB2 ))
   (( segid "    " and resid 75   and name HD1 ))
      6.000     4.500     0.000 peak  2596 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.884 ppm2      3.154 CV     1
 ASSI { 2598}
   (( segid "    " and resid 75   and name HB2 ))
   (( segid "    " and resid 76   and name HN  ))
      6.000     4.500     0.000 peak  2598 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.876 ppm2      8.071 CV     1
 ASSI { 2600}
   (( segid "    " and resid 75   and name HB2 ))
   (( segid "    " and resid 75   and name HD2 ))
      6.000     4.500     0.000 peak  2600 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.875 ppm2      3.323 CV     1
 ASSI { 2606}
   (( segid "    " and resid 33   and name HG11))
   (  segid "    " and resid 33   and name HG2%)
      6.000     4.500     0.000 peak  2606 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.566 ppm2      0.767 CV     1
 OR { 2606}
   (( segid "    " and resid 33   and name HG12))
   (  segid "    " and resid 33   and name HG2%)
 ASSI { 2618}
   (( segid "    " and resid 145  and name HB2 ))
   (( segid "    " and resid 146  and name HN  ))
      6.000     4.500     0.000 peak  2618 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.318 ppm2      7.871 CV     1
 ASSI { 2619}
   (( segid "    " and resid 145  and name HB2 ))
   (( segid "    " and resid 145  and name HN  ))
      6.000     4.500     0.000 peak  2619 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.319 ppm2      6.732 CV     1
 ASSI { 2620}
   (( segid "    " and resid 145  and name HB2 ))
   (( segid "    " and resid 146  and name HG12))
      6.000     4.500     0.000 peak  2620 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.317 ppm2      0.967 CV     1
 ASSI { 2621}
   (( segid "    " and resid 145  and name HB2 ))
   (( segid "    " and resid 142  and name HN  ))
      6.000     4.500     0.000 peak  2621 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.301 ppm2      9.281 CV     1
 ASSI { 2626}
   (( segid "    " and resid 48   and name HB1 ))
   (( segid "    " and resid 48   and name HB2 ))
      6.000     4.500     0.000 peak  2626 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.229 ppm2      2.010 CV     1
 ASSI { 2634}
   (( segid "    " and resid 28   and name HG12))
   (( segid "    " and resid 25   and name HA  ))
      6.000     4.500     0.000 peak  2634 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.072 ppm2      3.859 CV     1
 OR { 2634}
   (( segid "    " and resid 28   and name HG11))
   (( segid "    " and resid 25   and name HA  ))
 ASSI { 2638}
   (( segid "    " and resid 28   and name HG12))
   (( segid "    " and resid 29   and name HD2 ))
      6.000     4.500     0.000 peak  2638 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.048 ppm2      3.652 CV     1
 OR { 2638}
   (( segid "    " and resid 28   and name HG11))
   (( segid "    " and resid 29   and name HD2 ))
 ASSI { 2639}
   (( segid "    " and resid 109  and name HB2 ))
   (  segid "    " and resid 108  and name HG2%)
      6.000     4.500     0.000 peak  2639 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.034 ppm2      1.225 CV     1
 OR { 2639}
   (( segid "    " and resid 109  and name HB1 ))
   (  segid "    " and resid 108  and name HG2%)
 ASSI { 2640}
   (( segid "    " and resid 16   and name HB1 ))
   (( segid "    " and resid 77   and name HA  ))
      6.000     4.500     0.000 peak  2640 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.023 ppm2      3.651 CV     1
 OR { 2640}
   (( segid "    " and resid 16   and name HB2 ))
   (( segid "    " and resid 77   and name HA  ))
 ASSI { 2644}
   (( segid "    " and resid 48   and name HB2 ))
   (( segid "    " and resid 48   and name HG1 ))
      6.000     4.500     0.000 peak  2644 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.002 ppm2      2.400 CV     1
 OR { 2644}
   (( segid "    " and resid 48   and name HB2 ))
   (( segid "    " and resid 48   and name HG2 ))
 ASSI { 2651}
   (( segid "    " and resid 67   and name HB2 ))
   (( segid "    " and resid 68   and name HB2 ))
      6.000     4.500     0.000 peak  2651 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.856 ppm2      2.268 CV     1
 OR { 2651}
   (( segid "    " and resid 67   and name HB1 ))
   (( segid "    " and resid 68   and name HB2 ))
 ASSI { 2652}
   (( segid "    " and resid 67   and name HB2 ))
   (( segid "    " and resid 68   and name HA  ))
      6.000     4.500     0.000 peak  2652 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.844 ppm2      4.289 CV     1
 OR { 2652}
   (( segid "    " and resid 67   and name HB1 ))
   (( segid "    " and resid 68   and name HA  ))
 ASSI { 2659}
   (( segid "    " and resid 23   and name HD1 ))
   (( segid "    " and resid 23   and name HG2 ))
      6.000     4.500     0.000 peak  2659 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.678 ppm2      1.515 CV     1
 OR { 2659}
   (( segid "    " and resid 23   and name HD2 ))
   (( segid "    " and resid 23   and name HG2 ))
 ASSI { 2660}
   (( segid "    " and resid 23   and name HD2 ))
   (( segid "    " and resid 23   and name HG1 ))
      6.000     4.500     0.000 peak  2660 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.678 ppm2      1.422 CV     1
 OR { 2660}
   (( segid "    " and resid 23   and name HD1 ))
   (( segid "    " and resid 23   and name HG1 ))
 ASSI { 2665}
   (( segid "    " and resid 23   and name HD1 ))
   (  segid "    " and resid 76   and name HG2%)
      6.000     4.500     0.000 peak  2665 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.669 ppm2      0.889 CV     1
 ASSI { 2667}
   (( segid "    " and resid 33   and name HG12))
   (( segid "    " and resid 59   and name HN  ))
      6.000     4.500     0.000 peak  2667 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.552 ppm2      8.593 CV     1
 OR { 2667}
   (( segid "    " and resid 33   and name HG11))
   (( segid "    " and resid 59   and name HN  ))
 ASSI { 2669}
   (( segid "    " and resid 33   and name HG12))
   (( segid "    " and resid 31   and name HB1 ))
      6.000     4.500     0.000 peak  2669 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.555 ppm2      3.605 CV     1
 OR { 2669}
   (( segid "    " and resid 33   and name HG12))
   (( segid "    " and resid 31   and name HB2 ))
 OR { 2669}
   (( segid "    " and resid 33   and name HG11))
   (( segid "    " and resid 31   and name HB1 ))
 OR { 2669}
   (( segid "    " and resid 33   and name HG11))
   (( segid "    " and resid 31   and name HB2 ))
 ASSI { 2677}
   (( segid "    " and resid 154  and name HD2 ))
   (( segid "    " and resid 126  and name HB1 ))
      6.000     4.500     0.000 peak  2677 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.365 ppm2      2.976 CV     1
 OR { 2677}
   (( segid "    " and resid 154  and name HD1 ))
   (( segid "    " and resid 126  and name HB1 ))
 ASSI { 2678}
   (( segid "    " and resid 154  and name HD2 ))
   (( segid "    " and resid 154  and name HN  ))
      6.000     4.500     0.000 peak  2678 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.359 ppm2      8.382 CV     1
 OR { 2678}
   (( segid "    " and resid 154  and name HD1 ))
   (( segid "    " and resid 154  and name HN  ))
 ASSI { 2679}
   (( segid "    " and resid 154  and name HD2 ))
   (( segid "    " and resid 155  and name HN  ))
      6.000     4.500     0.000 peak  2679 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.358 ppm2      7.461 CV     1
 OR { 2679}
   (( segid "    " and resid 154  and name HD1 ))
   (( segid "    " and resid 155  and name HN  ))
 ASSI { 2681}
   (( segid "    " and resid 154  and name HD1 ))
   (( segid "    " and resid 154  and name HE2 ))
      6.000     4.500     0.000 peak  2681 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.359 ppm2      2.825 CV     1
 OR { 2681}
   (( segid "    " and resid 154  and name HD2 ))
   (( segid "    " and resid 154  and name HE1 ))
 OR { 2681}
   (( segid "    " and resid 154  and name HD2 ))
   (( segid "    " and resid 154  and name HE2 ))
 OR { 2681}
   (( segid "    " and resid 154  and name HD1 ))
   (( segid "    " and resid 154  and name HE1 ))
 ASSI { 2682}
   (( segid "    " and resid 154  and name HD1 ))
   (( segid "    " and resid 154  and name HG1 ))
      6.000     4.500     0.000 peak  2682 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.360 ppm2      1.015 CV     1
 OR { 2682}
   (( segid "    " and resid 154  and name HD2 ))
   (( segid "    " and resid 154  and name HG1 ))
 ASSI { 2683}
   (( segid "    " and resid 154  and name HD1 ))
   (( segid "    " and resid 154  and name HG2 ))
      6.000     4.500     0.000 peak  2683 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.359 ppm2      0.709 CV     1
 OR { 2683}
   (( segid "    " and resid 154  and name HD2 ))
   (( segid "    " and resid 154  and name HG2 ))
 ASSI { 2695}
   (( segid "    " and resid 145  and name HB2 ))
   (( segid "    " and resid 145  and name HA  ))
      6.000     4.500     0.000 peak  2695 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.317 ppm2      4.222 CV     1
 ASSI { 2697}
   (( segid "    " and resid 145  and name HB2 ))
   (( segid "    " and resid 145  and name HG2 ))
      6.000     4.500     0.000 peak  2697 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.311 ppm2      2.469 CV     1
 OR { 2697}
   (( segid "    " and resid 145  and name HB2 ))
   (( segid "    " and resid 145  and name HG1 ))
 ASSI { 2698}
   (( segid "    " and resid 134  and name HB2 ))
   (( segid "    " and resid 134  and name HG1 ))
      6.000     4.500     0.000 peak  2698 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.311 ppm2      2.100 CV     1
 ASSI { 2699}
   (( segid "    " and resid 145  and name HB1 ))
   (( segid "    " and resid 142  and name HN  ))
      6.000     4.500     0.000 peak  2699 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.244 ppm2      9.272 CV     1
 ASSI { 2700}
   (( segid "    " and resid 145  and name HB1 ))
   (( segid "    " and resid 146  and name HN  ))
      6.000     4.500     0.000 peak  2700 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.248 ppm2      7.870 CV     1
 ASSI { 2701}
   (( segid "    " and resid 145  and name HB1 ))
   (( segid "    " and resid 145  and name HN  ))
      6.000     4.500     0.000 peak  2701 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.245 ppm2      6.736 CV     1
 ASSI { 2702}
   (( segid "    " and resid 79   and name HB1 ))
   (( segid "    " and resid 76   and name HA  ))
      6.000     4.500     0.000 peak  2702 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.201 ppm2      3.768 CV     1
 ASSI { 2705}
   (( segid "    " and resid 79   and name HB1 ))
   (( segid "    " and resid 79   and name HA  ))
      6.000     4.500     0.000 peak  2705 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.182 ppm2      4.162 CV     1
 ASSI { 2706}
   (( segid "    " and resid 79   and name HB1 ))
   (( segid "    " and resid 79   and name HG2 ))
      6.000     4.500     0.000 peak  2706 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.178 ppm2      2.603 CV     1
 ASSI { 2711}
   (( segid "    " and resid 79   and name HB2 ))
   (( segid "    " and resid 79   and name HG1 ))
      6.000     4.500     0.000 peak  2711 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.108 ppm2      2.452 CV     1
 ASSI { 2717}
   (( segid "    " and resid 67   and name HB1 ))
   (( segid "    " and resid 67   and name HG2 ))
      6.000     4.500     0.000 peak  2717 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.835 ppm2      2.133 CV     1
 OR { 2717}
   (( segid "    " and resid 67   and name HB2 ))
   (( segid "    " and resid 67   and name HG2 ))
 ASSI { 2720}
   (( segid "    " and resid 67   and name HB2 ))
   (( segid "    " and resid 69   and name HN  ))
      6.000     4.500     0.000 peak  2720 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.824 ppm2      8.174 CV     1
 OR { 2720}
   (( segid "    " and resid 67   and name HB1 ))
   (( segid "    " and resid 69   and name HN  ))
 ASSI { 2723}
   (( segid "    " and resid 5    and name HG12))
   (( segid "    " and resid 5    and name HG11))
      6.000     4.500     0.000 peak  2723 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.530 ppm2      1.093 CV     1
 ASSI { 2727}
   (( segid "    " and resid 54   and name HG  ))
   (  segid "    " and resid 54   and name HD2%)
      6.000     4.500     0.000 peak  2727 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.111 ppm2      0.175 CV     1
 ASSI { 2728}
   (( segid "    " and resid 54   and name HG  ))
   (  segid "    " and resid 54   and name HD1%)
      6.000     4.500     0.000 peak  2728 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.115 ppm2     -0.528 CV     1
 ASSI { 2731}
   (( segid "    " and resid 80   and name HB1 ))
   (( segid "    " and resid 17   and name HE22))
      6.000     4.500     0.000 peak  2731 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.329 ppm2      7.762 CV     1
 OR { 2731}
   (( segid "    " and resid 80   and name HB2 ))
   (( segid "    " and resid 17   and name HE22))
 ASSI { 2732}
   (( segid "    " and resid 134  and name HB2 ))
   (( segid "    " and resid 134  and name HB1 ))
      6.000     4.500     0.000 peak  2732 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.302 ppm2      1.735 CV     1
 ASSI { 2734}
   (( segid "    " and resid 134  and name HB2 ))
   (( segid "    " and resid 134  and name HA  ))
      6.000     4.500     0.000 peak  2734 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.292 ppm2      4.541 CV     1
 ASSI { 2737}
   (( segid "    " and resid 98   and name HG12))
   (( segid "    " and resid 98   and name HG11))
      6.000     4.500     0.000 peak  2737 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.862 ppm2      0.939 CV     1
 ASSI { 2738}
   (( segid "    " and resid 98   and name HG12))
   (  segid "    " and resid 98   and name HG2%)
      6.000     4.500     0.000 peak  2738 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.863 ppm2      0.790 CV     1
 ASSI { 2740}
   (( segid "    " and resid 134  and name HB1 ))
   (( segid "    " and resid 134  and name HN  ))
      6.000     4.500     0.000 peak  2740 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.741 ppm2      8.287 CV     1
 ASSI { 2741}
   (( segid "    " and resid 134  and name HB1 ))
   (( segid "    " and resid 134  and name HB2 ))
      6.000     4.500     0.000 peak  2741 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.740 ppm2      2.301 CV     1
 OR { 2741}
   (( segid "    " and resid 134  and name HB1 ))
   (( segid "    " and resid 134  and name HG2 ))
 ASSI { 2743}
   (( segid "    " and resid 100  and name HG  ))
   (  segid "    " and resid 4    and name HD% )
      6.000     4.500     0.000 peak  2743 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.620 ppm2      6.823 CV     1
 ASSI { 2744}
   (( segid "    " and resid 100  and name HG  ))
   (  segid "    " and resid 100  and name HD1%)
      6.000     4.500     0.000 peak  2744 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.602 ppm2      0.659 CV     1
 ASSI { 2746}
   (( segid "    " and resid 146  and name HG11))
   (  segid "    " and resid 146  and name HD1%)
      6.000     4.500     0.000 peak  2746 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.587 ppm2      0.477 CV     1
 ASSI { 2747}
   (( segid "    " and resid 5    and name HG11))
   (( segid "    " and resid 5    and name HB  ))
      6.000     4.500     0.000 peak  2747 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.083 ppm2      1.749 CV     1
 ASSI { 2752}
   (( segid "    " and resid 146  and name HG12))
   (( segid "    " and resid 146  and name HG11))
      6.000     4.500     0.000 peak  2752 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.975 ppm2      1.591 CV     1
 ASSI { 2753}
   (( segid "    " and resid 146  and name HG12))
   (  segid "    " and resid 146  and name HD1%)
      6.000     4.500     0.000 peak  2753 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.967 ppm2      0.475 CV     1
 ASSI { 2756}
   (( segid "    " and resid 29   and name HG2 ))
   (( segid "    " and resid 72   and name HB1 ))
      6.000     4.500     0.000 peak  2756 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.009 ppm2      2.978 CV     1
 OR { 2756}
   (( segid "    " and resid 29   and name HG1 ))
   (( segid "    " and resid 72   and name HB1 ))
 ASSI { 2768}
   (( segid "    " and resid 127  and name HG2 ))
   (( segid "    " and resid 128  and name HB2 ))
      6.000     4.500     0.000 peak  2768 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.029 ppm2      1.219 CV     1
 ASSI { 2770}
   (( segid "    " and resid 127  and name HG2 ))
   (  segid "    " and resid 40   and name HD% )
      6.000     4.500     0.000 peak  2770 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.020 ppm2      7.133 CV     1
 ASSI { 2775}
   (( segid "    " and resid 127  and name HG2 ))
   (( segid "    " and resid 127  and name HG1 ))
      6.000     4.500     0.000 peak  2775 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.019 ppm2      1.441 CV     1
 ASSI { 2776}
   (( segid "    " and resid 127  and name HG2 ))
   (( segid "    " and resid 129  and name HB1 ))
      6.000     4.500     0.000 peak  2776 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.000 ppm2      2.919 CV     1
 ASSI { 2777}
   (( segid "    " and resid 29   and name HG2 ))
   (  segid "    " and resid 28   and name HG2%)
      6.000     4.500     0.000 peak  2777 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.994 ppm2      0.608 CV     1
 OR { 2777}
   (( segid "    " and resid 29   and name HG1 ))
   (  segid "    " and resid 28   and name HG2%)
 ASSI { 2786}
   (( segid "    " and resid 110  and name HG1 ))
   (( segid "    " and resid 67   and name HA  ))
      6.000     4.500     0.000 peak  2786 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.774 ppm2      3.621 CV     1
 ASSI { 2790}
   (( segid "    " and resid 144  and name HG1 ))
   (( segid "    " and resid 144  and name HN  ))
      6.000     4.500     0.000 peak  2790 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.638 ppm2      9.590 CV     1
 ASSI { 2793}
   (( segid "    " and resid 144  and name HG1 ))
   (( segid "    " and resid 152  and name HB2 ))
      6.000     4.500     0.000 peak  2793 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.623 ppm2      3.385 CV     1
 OR { 2793}
   (( segid "    " and resid 144  and name HG2 ))
   (( segid "    " and resid 152  and name HB2 ))
 ASSI { 2794}
   (( segid "    " and resid 144  and name HG1 ))
   (( segid "    " and resid 144  and name HA  ))
      6.000     4.500     0.000 peak  2794 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.614 ppm2      3.518 CV     1
 OR { 2794}
   (( segid "    " and resid 144  and name HG2 ))
   (( segid "    " and resid 144  and name HA  ))
 ASSI { 2796}
   (( segid "    " and resid 144  and name HG2 ))
   (( segid "    " and resid 144  and name HA  ))
      6.000     4.500     0.000 peak  2796 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.595 ppm2      3.515 CV     1
 ASSI { 2809}
   (( segid "    " and resid 110  and name HG2 ))
   (( segid "    " and resid 71   and name HD21))
      6.000     4.500     0.000 peak  2809 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.484 ppm2      7.158 CV     1
 ASSI { 2811}
   (( segid "    " and resid 110  and name HG2 ))
   (( segid "    " and resid 110  and name HD1 ))
      6.000     4.500     0.000 peak  2811 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.462 ppm2      3.216 CV     1
 OR { 2811}
   (( segid "    " and resid 110  and name HG2 ))
   (( segid "    " and resid 110  and name HD2 ))
 ASSI { 2826}
   (( segid "    " and resid 74   and name HB1 ))
   (( segid "    " and resid 74   and name HA  ))
      6.000     4.500     0.000 peak  2826 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.175 ppm2      4.197 CV     1
 OR { 2826}
   (( segid "    " and resid 74   and name HB2 ))
   (( segid "    " and resid 74   and name HA  ))
 ASSI { 2829}
   (( segid "    " and resid 43   and name HG1 ))
   (( segid "    " and resid 45   and name HG  ))
      6.000     4.500     0.000 peak  2829 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.126 ppm2      1.532 CV     1
 ASSI { 2830}
   (( segid "    " and resid 43   and name HG1 ))
   (( segid "    " and resid 43   and name HD1 ))
      6.000     4.500     0.000 peak  2830 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.112 ppm2      3.833 CV     1
 OR { 2830}
   (( segid "    " and resid 43   and name HG1 ))
   (( segid "    " and resid 43   and name HD2 ))
 ASSI { 2831}
   (( segid "    " and resid 43   and name HG1 ))
   (( segid "    " and resid 43   and name HB2 ))
      6.000     4.500     0.000 peak  2831 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.113 ppm2      2.481 CV     1
 ASSI { 2833}
   (( segid "    " and resid 43   and name HG2 ))
   (( segid "    " and resid 43   and name HB2 ))
      6.000     4.500     0.000 peak  2833 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.049 ppm2      2.468 CV     1
 ASSI { 2834}
   (( segid "    " and resid 44   and name HG1 ))
   (( segid "    " and resid 48   and name HE21))
      6.000     4.500     0.000 peak  2834 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.032 ppm2      6.894 CV     1
 ASSI { 2839}
   (( segid "    " and resid 44   and name HG1 ))
   (( segid "    " and resid 47   and name HD2 ))
      6.000     4.500     0.000 peak  2839 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.021 ppm2      3.674 CV     1
 OR { 2839}
   (( segid "    " and resid 44   and name HG1 ))
   (( segid "    " and resid 47   and name HD1 ))
 ASSI { 2843}
   (( segid "    " and resid 30   and name HB2 ))
   (( segid "    " and resid 30   and name HN  ))
      6.000     4.500     0.000 peak  2843 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.980 ppm2      8.889 CV     1
 ASSI { 2861}
   (( segid "    " and resid 133  and name HG2 ))
   (( segid "    " and resid 133  and name HD2 ))
      6.000     4.500     0.000 peak  2861 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.794 ppm2      3.406 CV     1
 OR { 2861}
   (( segid "    " and resid 133  and name HG1 ))
   (( segid "    " and resid 133  and name HD2 ))
 ASSI { 2863}
   (( segid "    " and resid 110  and name HG1 ))
   (  segid "    " and resid 70   and name HD2%)
      6.000     4.500     0.000 peak  2863 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.799 ppm2      0.704 CV     1
 ASSI { 2869}
   (( segid "    " and resid 110  and name HG1 ))
   (( segid "    " and resid 110  and name HG2 ))
      6.000     4.500     0.000 peak  2869 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.776 ppm2      1.480 CV     1
 ASSI { 2875}
   (( segid "    " and resid 144  and name HG1 ))
   (( segid "    " and resid 147  and name HN  ))
      6.000     4.500     0.000 peak  2875 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.626 ppm2      7.434 CV     1
 OR { 2875}
   (( segid "    " and resid 144  and name HG2 ))
   (( segid "    " and resid 147  and name HN  ))
 ASSI { 2876}
   (( segid "    " and resid 144  and name HG1 ))
   (( segid "    " and resid 126  and name HD1 ))
      6.000     4.500     0.000 peak  2876 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.625 ppm2      6.772 CV     1
 OR { 2876}
   (( segid "    " and resid 144  and name HG2 ))
   (( segid "    " and resid 126  and name HD1 ))
 ASSI { 2877}
   (( segid "    " and resid 144  and name HG1 ))
   (( segid "    " and resid 126  and name HB1 ))
      6.000     4.500     0.000 peak  2877 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.627 ppm2      2.922 CV     1
 OR { 2877}
   (( segid "    " and resid 144  and name HG2 ))
   (( segid "    " and resid 126  and name HB1 ))
 ASSI { 2878}
   (( segid "    " and resid 96   and name HG  ))
   (( segid "    " and resid 74   and name HA  ))
      6.000     4.500     0.000 peak  2878 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.610 ppm2      4.203 CV     1
 ASSI { 2879}
   (( segid "    " and resid 144  and name HG2 ))
   (( segid "    " and resid 126  and name HB1 ))
      6.000     4.500     0.000 peak  2879 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.606 ppm2      2.940 CV     1
 ASSI { 2883}
   (( segid "    " and resid 150  and name HG2 ))
   (( segid "    " and resid 150  and name HD2 ))
      6.000     4.500     0.000 peak  2883 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.493 ppm2      2.937 CV     1
 ASSI { 2891}
   (( segid "    " and resid 110  and name HG2 ))
   (( segid "    " and resid 71   and name HD22))
      6.000     4.500     0.000 peak  2891 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.463 ppm2      7.401 CV     1
 ASSI { 2894}
   (( segid "    " and resid 110  and name HG2 ))
   (  segid "    " and resid 70   and name HD1%)
      6.000     4.500     0.000 peak  2894 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.466 ppm2      0.478 CV     1
 ASSI { 2899}
   (  segid "    " and resid 60   and name HD1%)
   (( segid "    " and resid 32   and name HN  ))
      6.000     4.500     0.000 peak  2899 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.715 ppm2      8.973 CV     1
 ASSI { 2900}
   (  segid "    " and resid 60   and name HD1%)
   (( segid "    " and resid 61   and name HN  ))
      6.000     4.500     0.000 peak  2900 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.716 ppm2      8.809 CV     1
 ASSI { 2901}
   (  segid "    " and resid 60   and name HD1%)
   (( segid "    " and resid 62   and name HB  ))
      6.000     4.500     0.000 peak  2901 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.712 ppm2      3.802 CV     1
 ASSI { 2904}
   (  segid "    " and resid 60   and name HD1%)
   (( segid "    " and resid 60   and name HG  ))
      6.000     4.500     0.000 peak  2904 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.711 ppm2      1.268 CV     1
 ASSI { 2907}
   (  segid "    " and resid 100  and name HD1%)
   (  segid "    " and resid 4    and name HD% )
      6.000     6.000     0.000 peak  2907 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.660 ppm2      6.810 CV     1
 ASSI { 2912}
   (  segid "    " and resid 100  and name HD1%)
   (  segid "    " and resid 100  and name HD2%)
      6.000     4.500     0.000 peak  2912 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.665 ppm2      1.045 CV     1
 ASSI { 2913}
   (  segid "    " and resid 100  and name HD1%)
   (  segid "    " and resid 135  and name HD1%)
      6.000     4.500     0.000 peak  2913 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.660 ppm2      0.084 CV     1
 ASSI { 2918}
   (( segid "    " and resid 126  and name HB2 ))
   (( segid "    " and resid 126  and name HD1 ))
      6.000     4.500     0.000 peak  2918 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.027 ppm2      6.774 CV     1
 ASSI { 2922}
   (( segid "    " and resid 126  and name HB1 ))
   (( segid "    " and resid 126  and name HD1 ))
      6.000     4.500     0.000 peak  2922 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.934 ppm2      6.772 CV     1
 ASSI { 2923}
   (( segid "    " and resid 126  and name HB1 ))
   (( segid "    " and resid 127  and name HD1 ))
      6.000     4.500     0.000 peak  2923 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.934 ppm2      3.158 CV     1
 ASSI { 2924}
   (( segid "    " and resid 30   and name HB1 ))
   (( segid "    " and resid 63   and name HN  ))
      6.000     4.500     0.000 peak  2924 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.396 ppm2      8.234 CV     1
 ASSI { 2925}
   (( segid "    " and resid 30   and name HB1 ))
   (( segid "    " and resid 64   and name HG  ))
      6.000     4.500     0.000 peak  2925 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.393 ppm2      0.746 CV     1
 ASSI { 2926}
   (( segid "    " and resid 30   and name HB1 ))
   (( segid "    " and resid 30   and name HN  ))
      6.000     4.500     0.000 peak  2926 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.385 ppm2      8.897 CV     1
 ASSI { 2927}
   (( segid "    " and resid 30   and name HB1 ))
   (( segid "    " and resid 63   and name HB2 ))
      6.000     4.500     0.000 peak  2927 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.389 ppm2      4.044 CV     1
 OR { 2927}
   (( segid "    " and resid 30   and name HB1 ))
   (( segid "    " and resid 63   and name HB1 ))
 ASSI { 2929}
   (( segid "    " and resid 30   and name HB1 ))
   (( segid "    " and resid 30   and name HG1 ))
      6.000     4.500     0.000 peak  2929 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.387 ppm2      2.115 CV     1
 ASSI { 2930}
   (( segid "    " and resid 30   and name HB1 ))
   (( segid "    " and resid 30   and name HB2 ))
      6.000     4.500     0.000 peak  2930 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.389 ppm2      1.999 CV     1
 ASSI { 2931}
   (( segid "    " and resid 25   and name HG  ))
   (  segid "    " and resid 25   and name HD1%)
      6.000     4.500     0.000 peak  2931 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.938 ppm2      0.827 CV     1
 OR { 2931}
   (( segid "    " and resid 25   and name HG  ))
   (  segid "    " and resid 25   and name HD2%)
 ASSI { 2935}
   (( segid "    " and resid 78   and name HG  ))
   (( segid "    " and resid 78   and name HN  ))
      6.000     4.500     0.000 peak  2935 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.720 ppm2      7.618 CV     1
 ASSI { 2936}
   (( segid "    " and resid 78   and name HG  ))
   (( segid "    " and resid 78   and name HA  ))
      6.000     4.500     0.000 peak  2936 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.721 ppm2      4.069 CV     1
 ASSI { 2941}
   (( segid "    " and resid 96   and name HG  ))
   (  segid "    " and resid 96   and name HD1%)
      6.000     4.500     0.000 peak  2941 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.605 ppm2      0.909 CV     1
 OR { 2941}
   (( segid "    " and resid 96   and name HG  ))
   (  segid "    " and resid 96   and name HD2%)
 ASSI { 2948}
   (( segid "    " and resid 150  and name HG2 ))
   (( segid "    " and resid 150  and name HN  ))
      6.000     4.500     0.000 peak  2948 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.494 ppm2      7.846 CV     1
 ASSI { 2949}
   (( segid "    " and resid 150  and name HG2 ))
   (( segid "    " and resid 150  and name HA  ))
      6.000     4.500     0.000 peak  2949 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.499 ppm2      4.030 CV     1
 ASSI { 2950}
   (( segid "    " and resid 150  and name HG2 ))
   (( segid "    " and resid 150  and name HD1 ))
      6.000     4.500     0.000 peak  2950 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.494 ppm2      3.106 CV     1
 ASSI { 2958}
   (( segid "    " and resid 150  and name HG1 ))
   (( segid "    " and resid 150  and name HA  ))
      6.000     4.500     0.000 peak  2958 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.431 ppm2      4.033 CV     1
 ASSI { 2959}
   (( segid "    " and resid 150  and name HG1 ))
   (( segid "    " and resid 150  and name HN  ))
      6.000     4.500     0.000 peak  2959 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.427 ppm2      7.842 CV     1
 ASSI { 2967}
   (( segid "    " and resid 60   and name HG  ))
   (( segid "    " and resid 34   and name HB1 ))
      6.000     4.500     0.000 peak  2967 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.293 ppm2      1.634 CV     1
 ASSI { 2968}
   (( segid "    " and resid 60   and name HG  ))
   (( segid "    " and resid 60   and name HB1 ))
      6.000     4.500     0.000 peak  2968 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.276 ppm2      1.826 CV     1
 ASSI { 2969}
   (( segid "    " and resid 60   and name HG  ))
   (  segid "    " and resid 33   and name HD1%)
      6.000     4.500     0.000 peak  2969 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.277 ppm2      0.889 CV     1
 ASSI { 2973}
   (( segid "    " and resid 84   and name HG1 ))
   (( segid "    " and resid 84   and name HB1 ))
      6.000     4.500     0.000 peak  2973 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.204 ppm2      1.580 CV     1
 ASSI { 2975}
   (( segid "    " and resid 106  and name HG12))
   (( segid "    " and resid 106  and name HN  ))
      6.000     4.500     0.000 peak  2975 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.047 ppm2      9.396 CV     1
 OR { 2975}
   (( segid "    " and resid 106  and name HG11))
   (( segid "    " and resid 106  and name HN  ))
 ASSI { 2992}
   (  segid "    " and resid 64   and name HD1%)
   (( segid "    " and resid 64   and name HB2 ))
      6.000     4.500     0.000 peak  2992 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.702 ppm2      1.461 CV     1
 OR { 2992}
   (  segid "    " and resid 64   and name HD2%)
   (( segid "    " and resid 64   and name HB2 ))
 ASSI { 2993}
   (  segid "    " and resid 64   and name HD2%)
   (( segid "    " and resid 64   and name HN  ))
      6.000     4.500     0.000 peak  2993 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.697 ppm2      8.538 CV     1
 OR { 2993}
   (  segid "    " and resid 64   and name HD1%)
   (( segid "    " and resid 64   and name HN  ))
 ASSI { 2994}
   (  segid "    " and resid 64   and name HD2%)
   (( segid "    " and resid 65   and name HN  ))
      6.000     4.500     0.000 peak  2994 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.696 ppm2      8.363 CV     1
 OR { 2994}
   (  segid "    " and resid 64   and name HD1%)
   (( segid "    " and resid 65   and name HN  ))
 ASSI { 2995}
   (  segid "    " and resid 64   and name HD1%)
   (( segid "    " and resid 69   and name HN  ))
      6.000     4.500     0.000 peak  2995 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.695 ppm2      8.183 CV     1
 OR { 2995}
   (  segid "    " and resid 64   and name HD2%)
   (( segid "    " and resid 69   and name HN  ))
 ASSI { 2996}
   (  segid "    " and resid 64   and name HD1%)
   (( segid "    " and resid 72   and name HD2 ))
      6.000     4.500     0.000 peak  2996 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.696 ppm2      7.213 CV     1
 OR { 2996}
   (  segid "    " and resid 64   and name HD2%)
   (( segid "    " and resid 72   and name HD2 ))
 ASSI { 3000}
   (( segid "    " and resid 119  and name HG1 ))
   (( segid "    " and resid 119  and name HN  ))
      6.000     4.500     0.000 peak  3000 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.490 ppm2      8.072 CV     1
 ASSI { 3001}
   (( segid "    " and resid 119  and name HG1 ))
   (( segid "    " and resid 119  and name HA  ))
      6.000     4.500     0.000 peak  3001 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.470 ppm2      3.779 CV     1
 ASSI { 3007}
   (( segid "    " and resid 75   and name HG1 ))
   (( segid "    " and resid 75   and name HB1 ))
      6.000     4.500     0.000 peak  3007 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.649 ppm2      2.269 CV     1
 ASSI { 3009}
   (( segid "    " and resid 75   and name HG1 ))
   (( segid "    " and resid 75   and name HB2 ))
      6.000     4.500     0.000 peak  3009 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.634 ppm2      1.889 CV     1
 ASSI { 3011}
   (( segid "    " and resid 75   and name HG2 ))
   (( segid "    " and resid 75   and name HB1 ))
      6.000     4.500     0.000 peak  3011 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.555 ppm2      2.277 CV     1
 ASSI { 3019}
   (( segid "    " and resid 150  and name HG1 ))
   (( segid "    " and resid 150  and name HD1 ))
      6.000     4.500     0.000 peak  3019 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.425 ppm2      3.076 CV     1
 ASSI { 3024}
   (( segid "    " and resid 84   and name HG1 ))
   (( segid "    " and resid 85   and name HB1 ))
      6.000     4.500     0.000 peak  3024 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.213 ppm2      1.664 CV     1
 ASSI { 3026}
   (( segid "    " and resid 135  and name HG  ))
   (( segid "    " and resid 135  and name HN  ))
      6.000     4.500     0.000 peak  3026 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.196 ppm2      7.243 CV     1
 ASSI { 3030}
   (( segid "    " and resid 69   and name HG  ))
   (( segid "    " and resid 96   and name HG  ))
      6.000     4.500     0.000 peak  3030 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.001 ppm2      1.597 CV     1
 ASSI { 3047}
   (  segid "    " and resid 70   and name HD1%)
   (( segid "    " and resid 74   and name HG2 ))
      6.000     4.500     0.000 peak  3047 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.457 ppm2      2.925 CV     1
 ASSI { 3049}
   (  segid "    " and resid 70   and name HD1%)
   (( segid "    " and resid 111  and name HB1 ))
      6.000     4.500     0.000 peak  3049 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.458 ppm2      1.304 CV     1
 ASSI { 3050}
   (  segid "    " and resid 70   and name HD1%)
   (( segid "    " and resid 70   and name HB2 ))
      6.000     4.500     0.000 peak  3050 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.455 ppm2      1.012 CV     1
 ASSI { 3063}
   (( segid "    " and resid 114  and name HG1 ))
   (( segid "    " and resid 114  and name HG2 ))
      6.000     4.500     0.000 peak  3063 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.458 ppm2      2.033 CV     1
 ASSI { 3066}
   (( segid "    " and resid 114  and name HG1 ))
   (( segid "    " and resid 114  and name HB2 ))
      6.000     4.500     0.000 peak  3066 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.451 ppm2      2.837 CV     1
 ASSI { 3068}
   (( segid "    " and resid 114  and name HG1 ))
   (( segid "    " and resid 138  and name HD1 ))
      6.000     4.500     0.000 peak  3068 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.440 ppm2      4.036 CV     1
 OR { 3068}
   (( segid "    " and resid 114  and name HG1 ))
   (( segid "    " and resid 138  and name HD2 ))
 ASSI { 3070}
   (( segid "    " and resid 114  and name HG2 ))
   (( segid "    " and resid 114  and name HB2 ))
      6.000     4.500     0.000 peak  3070 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.003 ppm2      2.836 CV     1
 ASSI { 3071}
   (( segid "    " and resid 114  and name HG2 ))
   (  segid "    " and resid 105  and name HG1%)
      6.000     4.500     0.000 peak  3071 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.004 ppm2      1.044 CV     1
 OR { 3071}
   (( segid "    " and resid 114  and name HG2 ))
   (  segid "    " and resid 105  and name HG2%)
 ASSI { 3082}
   (( segid "    " and resid 75   and name HG2 ))
   (( segid "    " and resid 75   and name HA  ))
      6.000     4.500     0.000 peak  3082 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.561 ppm2      4.116 CV     1
 ASSI { 3083}
   (( segid "    " and resid 75   and name HG2 ))
   (( segid "    " and resid 75   and name HN  ))
      6.000     4.500     0.000 peak  3083 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.550 ppm2      7.615 CV     1
 ASSI { 3084}
   (( segid "    " and resid 75   and name HG2 ))
   (( segid "    " and resid 75   and name HD2 ))
      6.000     4.500     0.000 peak  3084 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.542 ppm2      3.317 CV     1
 ASSI { 3091}
   (( segid "    " and resid 111  and name HG  ))
   (  segid "    " and resid 111  and name HD1%)
      6.000     4.500     0.000 peak  3091 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.016 ppm2      0.311 CV     1
 ASSI { 3092}
   (( segid "    " and resid 69   and name HG  ))
   (( segid "    " and resid 71   and name HN  ))
      6.000     4.500     0.000 peak  3092 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.003 ppm2      7.682 CV     1
 ASSI { 3094}
   (( segid "    " and resid 69   and name HG  ))
   (( segid "    " and resid 69   and name HB1 ))
      6.000     4.500     0.000 peak  3094 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.999 ppm2      2.192 CV     1
 ASSI { 3095}
   (( segid "    " and resid 69   and name HG  ))
   (( segid "    " and resid 69   and name HN  ))
      6.000     4.500     0.000 peak  3095 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.997 ppm2      8.151 CV     1
 ASSI { 3096}
   (( segid "    " and resid 69   and name HG  ))
   (( segid "    " and resid 72   and name HD2 ))
      6.000     4.500     0.000 peak  3096 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.994 ppm2      7.217 CV     1
 ASSI { 3098}
   (  segid "    " and resid 96   and name HD1%)
   (( segid "    " and resid 97   and name HN  ))
      6.000     4.500     0.000 peak  3098 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.925 ppm2      8.825 CV     1
 ASSI { 3101}
   (( segid "    " and resid 147  and name HG  ))
   (  segid "    " and resid 147  and name HD2%)
      6.000     4.500     0.000 peak  3101 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.873 ppm2     -0.562 CV     1
 ASSI { 3110}
   (( segid "    " and resid 34   and name HG  ))
   (( segid "    " and resid 34   and name HN  ))
      6.000     4.500     0.000 peak  3110 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.794 ppm2      9.156 CV     1
 ASSI { 3111}
   (( segid "    " and resid 34   and name HG  ))
   (( segid "    " and resid 61   and name HN  ))
      6.000     4.500     0.000 peak  3111 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.794 ppm2      8.778 CV     1
 ASSI { 3112}
   (( segid "    " and resid 34   and name HG  ))
   (( segid "    " and resid 35   and name HN  ))
      6.000     4.500     0.000 peak  3112 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.793 ppm2      7.361 CV     1
 ASSI { 3113}
   (( segid "    " and resid 34   and name HG  ))
   (( segid "    " and resid 34   and name HA  ))
      6.000     4.500     0.000 peak  3113 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.791 ppm2      4.503 CV     1
 ASSI { 3114}
   (( segid "    " and resid 34   and name HG  ))
   (  segid "    " and resid 2    and name HG1%)
      6.000     4.500     0.000 peak  3114 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.793 ppm2      0.126 CV     1
 ASSI { 3116}
   (( segid "    " and resid 34   and name HG  ))
   (( segid "    " and resid 61   and name HB2 ))
      6.000     4.500     0.000 peak  3116 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.779 ppm2      1.708 CV     1
 ASSI { 3117}
   (( segid "    " and resid 66   and name HG1 ))
   (( segid "    " and resid 66   and name HB1 ))
      6.000     4.500     0.000 peak  3117 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.783 ppm2      0.541 CV     1
 ASSI { 3122}
   (( segid "    " and resid 66   and name HG1 ))
   (  segid "    " and resid 111  and name HD2%)
      6.000     4.500     0.000 peak  3122 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.757 ppm2      0.326 CV     1
 ASSI { 3124}
   (  segid "    " and resid 128  and name HD1%)
   (( segid "    " and resid 131  and name HG12))
      6.000     4.500     0.000 peak  3124 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.559 ppm2      1.499 CV     1
 OR { 3124}
   (  segid "    " and resid 128  and name HD2%)
   (( segid "    " and resid 131  and name HG12))
 ASSI { 3130}
   (( segid "    " and resid 157  and name HG1 ))
   (( segid "    " and resid 157  and name HG2 ))
      6.000     4.500     0.000 peak  3130 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.561 ppm2      1.169 CV     1
 ASSI { 3138}
   (  segid "    " and resid 22   and name HD2%)
   (( segid "    " and resid 19   and name HA  ))
      6.000     4.500     0.000 peak  3138 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.092 ppm2      4.554 CV     1
 ASSI { 3141}
   (  segid "    " and resid 22   and name HD2%)
   (( segid "    " and resid 23   and name HN  ))
      6.000     4.500     0.000 peak  3141 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.086 ppm2      7.752 CV     1
 ASSI { 3144}
   (  segid "    " and resid 22   and name HD2%)
   (( segid "    " and resid 22   and name HG  ))
      6.000     4.500     0.000 peak  3144 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.088 ppm2      1.851 CV     1
 ASSI { 3146}
   (  segid "    " and resid 22   and name HD2%)
   (  segid "    " and resid 22   and name HD1%)
      6.000     4.500     0.000 peak  3146 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.084 ppm2      0.840 CV     1
 ASSI { 3157}
   (  segid "    " and resid 128  and name HD1%)
   (  segid "    " and resid 4    and name HD% )
      6.000     4.500     0.000 peak  3157 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.560 ppm2      6.800 CV     1
 OR { 3157}
   (  segid "    " and resid 128  and name HD2%)
   (  segid "    " and resid 4    and name HD% )
 ASSI { 3162}
   (  segid "    " and resid 128  and name HD2%)
   (( segid "    " and resid 143  and name HG  ))
      6.000     4.500     0.000 peak  3162 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.560 ppm2      0.944 CV     1
 OR { 3162}
   (  segid "    " and resid 128  and name HD1%)
   (( segid "    " and resid 143  and name HG  ))
 ASSI { 3163}
   (  segid "    " and resid 128  and name HD2%)
   (( segid "    " and resid 128  and name HG  ))
      6.000     4.500     0.000 peak  3163 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.561 ppm2      0.276 CV     1
 OR { 3163}
   (  segid "    " and resid 128  and name HD1%)
   (( segid "    " and resid 128  and name HG  ))
 ASSI { 3164}
   (  segid "    " and resid 128  and name HD2%)
   (  segid "    " and resid 135  and name HD1%)
      6.000     4.500     0.000 peak  3164 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.559 ppm2      0.083 CV     1
 OR { 3164}
   (  segid "    " and resid 128  and name HD1%)
   (  segid "    " and resid 135  and name HD1%)
 ASSI { 3167}
   (  segid "    " and resid 54   and name HD1%)
   (  segid "    " and resid 39   and name HD% )
      6.000     6.000     0.000 peak  3167 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1     -0.519 ppm2      6.972 CV     1
 ASSI { 3173}
   (  segid "    " and resid 54   and name HD1%)
   (  segid "    " and resid 56   and name HB% )
      6.000     4.500     0.000 peak  3173 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1     -0.522 ppm2      1.460 CV     1
 ASSI { 3178}
   (  segid "    " and resid 54   and name HD1%)
   (  segid "    " and resid 18   and name HG1%)
      6.000     4.500     0.000 peak  3178 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1     -0.522 ppm2      0.286 CV     1
 ASSI { 3179}
   (  segid "    " and resid 54   and name HD1%)
   (  segid "    " and resid 54   and name HD2%)
      6.000     4.500     0.000 peak  3179 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1     -0.520 ppm2      0.172 CV     1
 ASSI { 3180}
   (  segid "    " and resid 54   and name HD1%)
   (( segid "    " and resid 15   and name HA  ))
      6.000     4.500     0.000 peak  3180 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1     -0.528 ppm2      3.454 CV     1
 ASSI { 3186}
   (( segid "    " and resid 157  and name HG2 ))
   (( segid "    " and resid 157  and name HB2 ))
      6.000     4.500     0.000 peak  3186 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.184 ppm2      1.963 CV     1
 ASSI { 3194}
   (  segid "    " and resid 111  and name HD1%)
   (( segid "    " and resid 111  and name HA  ))
      6.000     4.500     0.000 peak  3194 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.284 ppm2      3.888 CV     1
 ASSI { 3195}
   (  segid "    " and resid 111  and name HD1%)
   (( segid "    " and resid 66   and name HD2 ))
      6.000     4.500     0.000 peak  3195 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.288 ppm2      3.629 CV     1
 ASSI { 3199}
   (  segid "    " and resid 111  and name HD1%)
   (  segid "    " and resid 106  and name HG2%)
      6.000     4.500     0.000 peak  3199 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.286 ppm2      0.929 CV     1
 ASSI { 3201}
   (  segid "    " and resid 111  and name HD1%)
   (( segid "    " and resid 112  and name HN  ))
      6.000     4.500     0.000 peak  3201 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.280 ppm2      9.699 CV     1
 ASSI { 3204}
   (  segid "    " and resid 135  and name HD1%)
   (  segid "    " and resid 4    and name HD% )
      6.000     6.000     0.000 peak  3204 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.083 ppm2      6.805 CV     1
 ASSI { 3210}
   (  segid "    " and resid 135  and name HD1%)
   (( segid "    " and resid 143  and name HG  ))
      6.000     4.500     0.000 peak  3210 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.080 ppm2      0.965 CV     1
 ASSI { 3212}
   (  segid "    " and resid 54   and name HD1%)
   (( segid "    " and resid 54   and name HN  ))
      6.000     4.500     0.000 peak  3212 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1     -0.517 ppm2      8.697 CV     1
 ASSI { 3222}
   (  segid "    " and resid 60   and name HD2%)
   (( segid "    " and resid 31   and name HA  ))
      6.000     4.500     0.000 peak  3222 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.643 ppm2      5.912 CV     1
 ASSI { 3233}
   (  segid "    " and resid 135  and name HD2%)
   (( segid "    " and resid 135  and name HA  ))
      6.000     4.500     0.000 peak  3233 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.373 ppm2      3.839 CV     1
 ASSI { 3235}
   (  segid "    " and resid 135  and name HD2%)
   (( segid "    " and resid 135  and name HG  ))
      6.000     4.500     0.000 peak  3235 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.376 ppm2      1.222 CV     1
 ASSI { 3236}
   (  segid "    " and resid 135  and name HD2%)
   (( segid "    " and resid 143  and name HG  ))
      6.000     4.500     0.000 peak  3236 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.376 ppm2      0.984 CV     1
 ASSI { 3237}
   (  segid "    " and resid 135  and name HD2%)
   (  segid "    " and resid 100  and name HD1%)
      6.000     4.500     0.000 peak  3237 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.375 ppm2      0.645 CV     1
 ASSI { 3239}
   (  segid "    " and resid 135  and name HD2%)
   (  segid "    " and resid 135  and name HD1%)
      6.000     4.500     0.000 peak  3239 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.374 ppm2      0.095 CV     1
 ASSI { 3250}
   (( segid "    " and resid 23   and name HG1 ))
   (( segid "    " and resid 23   and name HB2 ))
      6.000     4.500     0.000 peak  3250 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.430 ppm2      1.930 CV     1
 OR { 3250}
   (( segid "    " and resid 23   and name HG1 ))
   (( segid "    " and resid 23   and name HB1 ))
 ASSI { 3251}
   (( segid "    " and resid 23   and name HG1 ))
   (( segid "    " and resid 23   and name HA  ))
      6.000     4.500     0.000 peak  3251 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.427 ppm2      3.965 CV     1
 ASSI { 3255}
   (( segid "    " and resid 154  and name HG1 ))
   (( segid "    " and resid 154  and name HB2 ))
      6.000     4.500     0.000 peak  3255 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.021 ppm2      1.361 CV     1
 OR { 3255}
   (( segid "    " and resid 154  and name HG1 ))
   (( segid "    " and resid 154  and name HD1 ))
 OR { 3255}
   (( segid "    " and resid 154  and name HG1 ))
   (( segid "    " and resid 154  and name HB1 ))
 OR { 3255}
   (( segid "    " and resid 154  and name HG1 ))
   (( segid "    " and resid 154  and name HD2 ))
 ASSI { 3256}
   (( segid "    " and resid 143  and name HG  ))
   (( segid "    " and resid 128  and name HB2 ))
      6.000     4.500     0.000 peak  3256 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.975 ppm2      1.224 CV     1
 ASSI { 3266}
   (( segid "    " and resid 154  and name HG2 ))
   (( segid "    " and resid 126  and name HB1 ))
      6.000     4.500     0.000 peak  3266 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.719 ppm2      2.979 CV     1
 ASSI { 3268}
   (  segid "    " and resid 60   and name HD2%)
   (( segid "    " and resid 69   and name HG  ))
      6.000     4.500     0.000 peak  3268 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.643 ppm2      0.980 CV     1
 ASSI { 3277}
   (( segid "    " and resid 23   and name HG2 ))
   (( segid "    " and resid 23   and name HN  ))
      6.000     4.500     0.000 peak  3277 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.522 ppm2      7.741 CV     1
 ASSI { 3285}
   (( segid "    " and resid 23   and name HG1 ))
   (( segid "    " and resid 24   and name HN  ))
      6.000     4.500     0.000 peak  3285 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.420 ppm2      7.895 CV     1
 ASSI { 3286}
   (( segid "    " and resid 23   and name HG1 ))
   (( segid "    " and resid 23   and name HN  ))
      6.000     4.500     0.000 peak  3286 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.423 ppm2      7.751 CV     1
 ASSI { 3288}
   (( segid "    " and resid 23   and name HG1 ))
   (( segid "    " and resid 23   and name HE2 ))
      6.000     4.500     0.000 peak  3288 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.420 ppm2      2.987 CV     1
 OR { 3288}
   (( segid "    " and resid 23   and name HG1 ))
   (( segid "    " and resid 23   and name HE1 ))
 ASSI { 3294}
   (( segid "    " and resid 85   and name HG1 ))
   (( segid "    " and resid 85   and name HA  ))
      6.000     4.500     0.000 peak  3294 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.323 ppm2      4.359 CV     1
 ASSI { 3295}
   (( segid "    " and resid 85   and name HG1 ))
   (( segid "    " and resid 85   and name HB2 ))
      6.000     4.500     0.000 peak  3295 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.314 ppm2      1.797 CV     1
 ASSI { 3296}
   (( segid "    " and resid 85   and name HG1 ))
   (( segid "    " and resid 85   and name HB1 ))
      6.000     4.500     0.000 peak  3296 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.317 ppm2      1.664 CV     1
 ASSI { 3300}
   (  segid "    " and resid 100  and name HD2%)
   (( segid "    " and resid 4    and name HN  ))
      6.000     4.500     0.000 peak  3300 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.070 ppm2      8.574 CV     1
 ASSI { 3302}
   (  segid "    " and resid 100  and name HD2%)
   (( segid "    " and resid 101  and name HN  ))
      6.000     4.500     0.000 peak  3302 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.059 ppm2      9.777 CV     1
 ASSI { 3311}
   (  segid "    " and resid 100  and name HD2%)
   (( segid "    " and resid 138  and name HD2 ))
      6.000     4.500     0.000 peak  3311 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.055 ppm2      4.016 CV     1
 OR { 3311}
   (  segid "    " and resid 100  and name HD2%)
   (( segid "    " and resid 138  and name HD1 ))
 ASSI { 3312}
   (  segid "    " and resid 100  and name HD2%)
   (( segid "    " and resid 135  and name HA  ))
      6.000     4.500     0.000 peak  3312 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.054 ppm2      3.826 CV     1
 ASSI { 3314}
   (  segid "    " and resid 100  and name HD2%)
   (( segid "    " and resid 4    and name HB2 ))
      6.000     4.500     0.000 peak  3314 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.056 ppm2      2.695 CV     1
 OR { 3314}
   (  segid "    " and resid 100  and name HD2%)
   (( segid "    " and resid 4    and name HB1 ))
 ASSI { 3317}
   (  segid "    " and resid 100  and name HD2%)
   (( segid "    " and resid 100  and name HB1 ))
      6.000     4.500     0.000 peak  3317 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.056 ppm2      1.803 CV     1
 ASSI { 3318}
   (  segid "    " and resid 100  and name HD2%)
   (( segid "    " and resid 100  and name HG  ))
      6.000     4.500     0.000 peak  3318 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.057 ppm2      1.610 CV     1
 ASSI { 3320}
   (  segid "    " and resid 100  and name HD2%)
   (  segid "    " and resid 135  and name HD2%)
      6.000     4.500     0.000 peak  3320 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.057 ppm2      0.386 CV     1
 ASSI { 3322}
   (( segid "    " and resid 154  and name HG1 ))
   (( segid "    " and resid 126  and name HB1 ))
      6.000     4.500     0.000 peak  3322 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.037 ppm2      2.979 CV     1
 ASSI { 3326}
   (( segid "    " and resid 143  and name HG  ))
   (( segid "    " and resid 143  and name HN  ))
      6.000     4.500     0.000 peak  3326 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.967 ppm2      8.414 CV     1
 ASSI { 3329}
   (( segid "    " and resid 143  and name HG  ))
   (( segid "    " and resid 129  and name HN  ))
      6.000     4.500     0.000 peak  3329 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.950 ppm2      8.629 CV     1
 ASSI { 3330}
   (( segid "    " and resid 15   and name HG  ))
   (( segid "    " and resid 15   and name HN  ))
      6.000     4.500     0.000 peak  3330 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.948 ppm2      8.184 CV     1
 ASSI { 3331}
   (( segid "    " and resid 15   and name HG  ))
   (( segid "    " and resid 19   and name HD21))
      6.000     4.500     0.000 peak  3331 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.949 ppm2      7.401 CV     1
 ASSI { 3333}
   (( segid "    " and resid 15   and name HG  ))
   (( segid "    " and resid 15   and name HA  ))
      6.000     4.500     0.000 peak  3333 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.950 ppm2      3.463 CV     1
 ASSI { 3335}
   (( segid "    " and resid 143  and name HG  ))
   (( segid "    " and resid 118  and name HB2 ))
      6.000     4.500     0.000 peak  3335 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.949 ppm2      1.950 CV     1
 ASSI { 3346}
   (  segid "    " and resid 25   and name HD2%)
   (( segid "    " and resid 26   and name HN  ))
      6.000     4.500     0.000 peak  3346 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.818 ppm2      7.595 CV     1
 OR { 3346}
   (  segid "    " and resid 25   and name HD1%)
   (( segid "    " and resid 26   and name HN  ))
 ASSI { 3350}
   (  segid "    " and resid 25   and name HD2%)
   (( segid "    " and resid 5    and name HB  ))
      6.000     4.500     0.000 peak  3350 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.822 ppm2      1.720 CV     1
 OR { 3350}
   (  segid "    " and resid 25   and name HD1%)
   (( segid "    " and resid 5    and name HB  ))
 ASSI { 3354}
   (( segid "    " and resid 154  and name HG2 ))
   (( segid "    " and resid 154  and name HE1 ))
      6.000     4.500     0.000 peak  3354 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.713 ppm2      2.830 CV     1
 OR { 3354}
   (( segid "    " and resid 154  and name HG2 ))
   (( segid "    " and resid 154  and name HE2 ))
 ASSI { 3355}
   (( segid "    " and resid 154  and name HG2 ))
   (( segid "    " and resid 154  and name HD1 ))
      6.000     4.500     0.000 peak  3355 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.715 ppm2      1.358 CV     1
 OR { 3355}
   (( segid "    " and resid 154  and name HG2 ))
   (( segid "    " and resid 154  and name HD2 ))
 OR { 3355}
   (( segid "    " and resid 154  and name HG2 ))
   (( segid "    " and resid 154  and name HB2 ))
 OR { 3355}
   (( segid "    " and resid 154  and name HG2 ))
   (( segid "    " and resid 154  and name HB1 ))
 ASSI { 3361}
   (  segid "    " and resid 147  and name HD1%)
   (( segid "    " and resid 150  and name HN  ))
      6.000     4.500     0.000 peak  3361 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1     -0.473 ppm2      7.816 CV     1
 ASSI { 3362}
   (  segid "    " and resid 147  and name HD1%)
   (( segid "    " and resid 125  and name HN  ))
      6.000     4.500     0.000 peak  3362 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1     -0.469 ppm2      7.453 CV     1
 ASSI { 3366}
   (  segid "    " and resid 147  and name HD1%)
   (( segid "    " and resid 148  and name HB1 ))
      6.000     4.500     0.000 peak  3366 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1     -0.470 ppm2      3.163 CV     1
 ASSI { 3370}
   (  segid "    " and resid 147  and name HD1%)
   (( segid "    " and resid 125  and name HB1 ))
      6.000     4.500     0.000 peak  3370 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1     -0.472 ppm2      0.918 CV     1
 ASSI { 3371}
   (  segid "    " and resid 147  and name HD1%)
   (( segid "    " and resid 147  and name HB1 ))
      6.000     4.500     0.000 peak  3371 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1     -0.472 ppm2      0.686 CV     1
 ASSI { 3372}
   (  segid "    " and resid 147  and name HD1%)
   (( segid "    " and resid 147  and name HA  ))
      6.000     4.500     0.000 peak  3372 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1     -0.474 ppm2      3.666 CV     1
 ASSI { 3377}
   (  segid "    " and resid 22   and name HD1%)
   (( segid "    " and resid 22   and name HN  ))
      6.000     4.500     0.000 peak  3377 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.848 ppm2      8.560 CV     1
 ASSI { 3379}
   (  segid "    " and resid 22   and name HD1%)
   (( segid "    " and resid 22   and name HA  ))
      6.000     4.500     0.000 peak  3379 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.844 ppm2      3.941 CV     1
 ASSI { 3380}
   (  segid "    " and resid 22   and name HD1%)
   (( segid "    " and resid 22   and name HB2 ))
      6.000     4.500     0.000 peak  3380 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.844 ppm2      2.081 CV     1
 ASSI { 3381}
   (  segid "    " and resid 22   and name HD1%)
   (( segid "    " and resid 22   and name HB1 ))
      6.000     4.500     0.000 peak  3381 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.850 ppm2      1.431 CV     1
 ASSI { 3391}
   (  segid "    " and resid 111  and name HD2%)
   (( segid "    " and resid 111  and name HB1 ))
      6.000     4.500     0.000 peak  3391 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.349 ppm2      1.287 CV     1
 ASSI { 3392}
   (  segid "    " and resid 111  and name HD2%)
   (( segid "    " and resid 111  and name HG  ))
      6.000     4.500     0.000 peak  3392 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.351 ppm2      1.016 CV     1
 ASSI { 3394}
   (  segid "    " and resid 111  and name HD2%)
   (( segid "    " and resid 111  and name HB2 ))
      6.000     4.500     0.000 peak  3394 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.346 ppm2      0.885 CV     1
 ASSI { 3399}
   (  segid "    " and resid 15   and name HD2%)
   (( segid "    " and resid 15   and name HB1 ))
      6.000     4.500     0.000 peak  3399 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.701 ppm2      1.457 CV     1
 OR { 3399}
   (  segid "    " and resid 15   and name HD1%)
   (( segid "    " and resid 15   and name HB1 ))
 ASSI { 3400}
   (  segid "    " and resid 15   and name HD2%)
   (( segid "    " and resid 15   and name HN  ))
      6.000     4.500     0.000 peak  3400 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.693 ppm2      8.199 CV     1
 OR { 3400}
   (  segid "    " and resid 15   and name HD1%)
   (( segid "    " and resid 15   and name HN  ))
 ASSI { 3401}
   (  segid "    " and resid 15   and name HD1%)
   (( segid "    " and resid 15   and name HA  ))
      6.000     4.500     0.000 peak  3401 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.696 ppm2      3.454 CV     1
 OR { 3401}
   (  segid "    " and resid 15   and name HD2%)
   (( segid "    " and resid 15   and name HA  ))
 ASSI { 3402}
   (  segid "    " and resid 18   and name HG2%)
   (( segid "    " and resid 19   and name HD21))
      6.000     4.500     0.000 peak  3402 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.654 ppm2      7.395 CV     1
 ASSI { 3403}
   (  segid "    " and resid 18   and name HG2%)
   (( segid "    " and resid 18   and name HN  ))
      6.000     4.500     0.000 peak  3403 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.638 ppm2      8.526 CV     1
 ASSI { 3405}
   (  segid "    " and resid 18   and name HG2%)
   (( segid "    " and resid 9    and name HB1 ))
      6.000     6.000     0.000 peak  3405 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.640 ppm2      3.684 CV     1
 ASSI { 3406}
   (  segid "    " and resid 18   and name HG2%)
   (( segid "    " and resid 15   and name HA  ))
      6.000     4.500     0.000 peak  3406 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.643 ppm2      3.467 CV     1
 ASSI { 3408}
   (  segid "    " and resid 18   and name HG2%)
   (( segid "    " and resid 22   and name HB2 ))
      6.000     4.500     0.000 peak  3408 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.639 ppm2      2.104 CV     1
 ASSI { 3410}
   (  segid "    " and resid 18   and name HG2%)
   (  segid "    " and resid 18   and name HG1%)
      6.000     4.500     0.000 peak  3410 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.639 ppm2      0.290 CV     1
 ASSI { 3411}
   (  segid "    " and resid 18   and name HG2%)
   (  segid "    " and resid 54   and name HD1%)
      6.000     4.500     0.000 peak  3411 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.640 ppm2     -0.519 CV     1
 ASSI { 3416}
   (  segid "    " and resid 56   and name HB% )
   (( segid "    " and resid 7    and name HN  ))
      6.000     4.500     0.000 peak  3416 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.447 ppm2      8.802 CV     1
 ASSI { 3417}
   (  segid "    " and resid 56   and name HB% )
   (  segid "    " and resid 39   and name HD% )
      6.000     4.500     0.000 peak  3417 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.448 ppm2      6.963 CV     1
 ASSI { 3419}
   (  segid "    " and resid 56   and name HB% )
   (( segid "    " and resid 55   and name HA  ))
      6.000     4.500     0.000 peak  3419 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.449 ppm2      6.127 CV     1
 ASSI { 3420}
   (  segid "    " and resid 56   and name HB% )
   (( segid "    " and resid 57   and name HA  ))
      6.000     4.500     0.000 peak  3420 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.453 ppm2      5.647 CV     1
 ASSI { 3432}
   (  segid "    " and resid 18   and name HG2%)
   (  segid "    " and resid 54   and name HD2%)
      6.000     4.500     0.000 peak  3432 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.639 ppm2      0.170 CV     1
 ASSI { 3434}
   (  segid "    " and resid 69   and name HD2%)
   (( segid "    " and resid 69   and name HN  ))
      6.000     4.500     0.000 peak  3434 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.922 ppm2      8.154 CV     1
 OR { 3434}
   (  segid "    " and resid 69   and name HD1%)
   (( segid "    " and resid 69   and name HN  ))
 ASSI { 3439}
   (( segid "    " and resid 155  and name HG  ))
   (  segid "    " and resid 40   and name HD% )
      6.000     4.500     0.000 peak  3439 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.909 ppm2      7.094 CV     1
 ASSI { 3441}
   (( segid "    " and resid 155  and name HG  ))
   (( segid "    " and resid 123  and name HA  ))
      6.000     4.500     0.000 peak  3441 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.917 ppm2      4.331 CV     1
 ASSI { 3442}
   (( segid "    " and resid 155  and name HG  ))
   (( segid "    " and resid 43   and name HD1 ))
      6.000     4.500     0.000 peak  3442 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.918 ppm2      3.830 CV     1
 OR { 3442}
   (( segid "    " and resid 155  and name HG  ))
   (( segid "    " and resid 43   and name HD2 ))
 ASSI { 3443}
   (( segid "    " and resid 155  and name HG  ))
   (( segid "    " and resid 152  and name HB2 ))
      6.000     4.500     0.000 peak  3443 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.915 ppm2      3.396 CV     1
 ASSI { 3451}
   (( segid "    " and resid 94   and name HG  ))
   (( segid "    " and resid 94   and name HB1 ))
      6.000     4.500     0.000 peak  3451 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.783 ppm2      1.710 CV     1
 ASSI { 3453}
   (  segid "    " and resid 70   and name HD2%)
   (( segid "    " and resid 110  and name HA  ))
      6.000     4.500     0.000 peak  3453 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.690 ppm2      4.221 CV     1
 ASSI { 3456}
   (( segid "    " and resid 128  and name HG  ))
   (  segid "    " and resid 4    and name HD% )
      6.000     4.500     0.000 peak  3456 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.271 ppm2      6.817 CV     1
 ASSI { 3458}
   (( segid "    " and resid 128  and name HG  ))
   (( segid "    " and resid 142  and name HB1 ))
      6.000     4.500     0.000 peak  3458 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.276 ppm2      2.052 CV     1
 ASSI { 3472}
   (  segid "    " and resid 42   and name HG2%)
   (( segid "    " and resid 42   and name HA  ))
      6.000     4.500     0.000 peak  3472 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.241 ppm2      4.985 CV     1
 ASSI { 3474}
   (  segid "    " and resid 42   and name HG2%)
   (( segid "    " and resid 42   and name HB  ))
      6.000     4.500     0.000 peak  3474 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.241 ppm2      4.150 CV     1
 ASSI { 3478}
   (  segid "    " and resid 42   and name HG2%)
   (( segid "    " and resid 43   and name HG2 ))
      6.000     4.500     0.000 peak  3478 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.245 ppm2      2.036 CV     1
 ASSI { 3494}
   (( segid "    " and resid 155  and name HG  ))
   (( segid "    " and resid 126  and name HD1 ))
      6.000     4.500     0.000 peak  3494 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.906 ppm2      6.768 CV     1
 ASSI { 3496}
   (( segid "    " and resid 94   and name HG  ))
   (( segid "    " and resid 9    and name HN  ))
      6.000     4.500     0.000 peak  3496 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.783 ppm2      8.553 CV     1
 ASSI { 3499}
   (( segid "    " and resid 94   and name HG  ))
   (( segid "    " and resid 9    and name HB1 ))
      6.000     4.500     0.000 peak  3499 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.781 ppm2      3.680 CV     1
 ASSI { 3502}
   (( segid "    " and resid 94   and name HG  ))
   (( segid "    " and resid 95   and name HB1 ))
      6.000     4.500     0.000 peak  3502 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.785 ppm2      2.535 CV     1
 ASSI { 3503}
   (( segid "    " and resid 94   and name HG  ))
   (( segid "    " and resid 77   and name HG1 ))
      6.000     4.500     0.000 peak  3503 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.783 ppm2      2.035 CV     1
 ASSI { 3506}
   (( segid "    " and resid 94   and name HG  ))
   (( segid "    " and resid 8    and name HN  ))
      6.000     4.500     0.000 peak  3506 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.772 ppm2      8.792 CV     1
 ASSI { 3509}
   (  segid "    " and resid 70   and name HD2%)
   (( segid "    " and resid 71   and name HN  ))
      6.000     4.500     0.000 peak  3509 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.688 ppm2      7.662 CV     1
 ASSI { 3515}
   (  segid "    " and resid 70   and name HD2%)
   (( segid "    " and resid 70   and name HB1 ))
      6.000     4.500     0.000 peak  3515 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.684 ppm2      1.850 CV     1
 ASSI { 3516}
   (  segid "    " and resid 70   and name HD2%)
   (( segid "    " and resid 66   and name HB2 ))
      6.000     4.500     0.000 peak  3516 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.681 ppm2      1.280 CV     1
 ASSI { 3517}
   (  segid "    " and resid 70   and name HD2%)
   (  segid "    " and resid 70   and name HD1%)
      6.000     4.500     0.000 peak  3517 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.682 ppm2      0.443 CV     1
 ASSI { 3524}
   (( segid "    " and resid 128  and name HG  ))
   (( segid "    " and resid 135  and name HB2 ))
      6.000     4.500     0.000 peak  3524 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.275 ppm2      1.723 CV     1
 ASSI { 3525}
   (( segid "    " and resid 128  and name HG  ))
   (( segid "    " and resid 131  and name HG12))
      6.000     4.500     0.000 peak  3525 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.274 ppm2      1.463 CV     1
 ASSI { 3528}
   (  segid "    " and resid 54   and name HD2%)
   (( segid "    " and resid 54   and name HN  ))
      6.000     4.500     0.000 peak  3528 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.173 ppm2      8.697 CV     1
 ASSI { 3536}
   (  segid "    " and resid 54   and name HD2%)
   (  segid "    " and resid 56   and name HB% )
      6.000     4.500     0.000 peak  3536 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.172 ppm2      1.452 CV     1
 ASSI { 3553}
   (  segid "    " and resid 113  and name HG1%)
   (( segid "    " and resid 113  and name HA  ))
      6.000     4.500     0.000 peak  3553 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.857 ppm2      4.306 CV     1
 ASSI { 3554}
   (  segid "    " and resid 113  and name HG1%)
   (( segid "    " and resid 101  and name HB1 ))
      6.000     4.500     0.000 peak  3554 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.856 ppm2      3.317 CV     1
 ASSI { 3555}
   (  segid "    " and resid 113  and name HG1%)
   (( segid "    " and resid 101  and name HB2 ))
      6.000     4.500     0.000 peak  3555 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.860 ppm2      2.310 CV     1
 ASSI { 3558}
   (  segid "    " and resid 113  and name HG1%)
   (( segid "    " and resid 104  and name HB2 ))
      6.000     4.500     0.000 peak  3558 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.845 ppm2      2.188 CV     1
 ASSI { 3574}
   (  segid "    " and resid 57   and name HB% )
   (( segid "    " and resid 37   and name HB2 ))
      6.000     4.500     0.000 peak  3574 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.344 ppm2      4.060 CV     1
 OR { 3574}
   (  segid "    " and resid 57   and name HB% )
   (( segid "    " and resid 37   and name HB1 ))
 ASSI { 3577}
   (  segid "    " and resid 57   and name HB% )
   (( segid "    " and resid 127  and name HB2 ))
      6.000     4.500     0.000 peak  3577 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.342 ppm2      1.931 CV     1
 ASSI { 3580}
   (  segid "    " and resid 57   and name HB% )
   (( segid "    " and resid 128  and name HA  ))
      6.000     4.500     0.000 peak  3580 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.335 ppm2      3.807 CV     1
 ASSI { 3581}
   (  segid "    " and resid 57   and name HB% )
   (( segid "    " and resid 128  and name HG  ))
      6.000     4.500     0.000 peak  3581 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.335 ppm2      0.279 CV     1
 ASSI { 3596}
   (  segid "    " and resid 36   and name HG1%)
   (( segid "    " and resid 59   and name HN  ))
      6.000     4.500     0.000 peak  3596 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.087 ppm2      8.602 CV     1
 ASSI { 3605}
   (  segid "    " and resid 2    and name HG2%)
   (( segid "    " and resid 3    and name HN  ))
      6.000     4.500     0.000 peak  3605 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.757 ppm2      9.272 CV     1
 ASSI { 3606}
   (( segid "    " and resid 64   and name HG  ))
   (( segid "    " and resid 30   and name HN  ))
      6.000     4.500     0.000 peak  3606 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.754 ppm2      8.903 CV     1
 ASSI { 3609}
   (  segid "    " and resid 2    and name HG2%)
   (( segid "    " and resid 102  and name HA2 ))
      6.000     4.500     0.000 peak  3609 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.757 ppm2      3.866 CV     1
 OR { 3609}
   (  segid "    " and resid 2    and name HG2%)
   (( segid "    " and resid 102  and name HA1 ))
 ASSI { 3613}
   (  segid "    " and resid 2    and name HG2%)
   (  segid "    " and resid 2    and name HG1%)
      6.000     4.500     0.000 peak  3613 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.758 ppm2      0.130 CV     1
 ASSI { 3614}
   (( segid "    " and resid 64   and name HG  ))
   (( segid "    " and resid 64   and name HN  ))
      6.000     4.500     0.000 peak  3614 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.746 ppm2      8.537 CV     1
 ASSI { 3616}
   (( segid "    " and resid 64   and name HG  ))
   (( segid "    " and resid 63   and name HN  ))
      6.000     4.500     0.000 peak  3616 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.746 ppm2      8.260 CV     1
 ASSI { 3617}
   (( segid "    " and resid 64   and name HG  ))
   (( segid "    " and resid 72   and name HD2 ))
      6.000     4.500     0.000 peak  3617 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.747 ppm2      7.235 CV     1
 ASSI { 3621}
   (  segid "    " and resid 149  and name HG2%)
   (( segid "    " and resid 150  and name HN  ))
      6.000     4.500     0.000 peak  3621 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.262 ppm2      7.846 CV     1
 ASSI { 3626}
   (  segid "    " and resid 149  and name HG2%)
   (( segid "    " and resid 146  and name HA  ))
      6.000     4.500     0.000 peak  3626 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.264 ppm2      3.643 CV     1
 ASSI { 3633}
   (  segid "    " and resid 59   and name HB% )
   (  segid "    " and resid 4    and name HD% )
      6.000     4.500     0.000 peak  3633 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.237 ppm2      6.820 CV     1
 ASSI { 3641}
   (  segid "    " and resid 59   and name HB% )
   (  segid "    " and resid 2    and name HG1%)
      6.000     4.500     0.000 peak  3641 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.237 ppm2      0.127 CV     1
 ASSI { 3645}
   (  segid "    " and resid 108  and name HG2%)
   (( segid "    " and resid 111  and name HN  ))
      6.000     4.500     0.000 peak  3645 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.202 ppm2      7.599 CV     1
 ASSI { 3650}
   (  segid "    " and resid 113  and name HG2%)
   (( segid "    " and resid 107  and name HD22))
      6.000     4.500     0.000 peak  3650 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.165 ppm2      6.826 CV     1
 ASSI { 3653}
   (  segid "    " and resid 113  and name HG2%)
   (( segid "    " and resid 113  and name HN  ))
      6.000     4.500     0.000 peak  3653 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.145 ppm2      9.366 CV     1
 ASSI { 3655}
   (  segid "    " and resid 113  and name HG2%)
   (( segid "    " and resid 104  and name HN  ))
      6.000     4.500     0.000 peak  3655 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.151 ppm2      8.319 CV     1
 ASSI { 3659}
   (  segid "    " and resid 113  and name HG2%)
   (  segid "    " and resid 101  and name HD% )
      6.000     4.500     0.000 peak  3659 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.147 ppm2      7.007 CV     1
 ASSI { 3662}
   (  segid "    " and resid 113  and name HG2%)
   (( segid "    " and resid 114  and name HD2 ))
      6.000     4.500     0.000 peak  3662 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.146 ppm2      3.670 CV     1
 ASSI { 3666}
   (  segid "    " and resid 113  and name HG2%)
   (( segid "    " and resid 101  and name HB2 ))
      6.000     4.500     0.000 peak  3666 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.147 ppm2      2.318 CV     1
 ASSI { 3671}
   (  segid "    " and resid 73   and name HG2%)
   (( segid "    " and resid 72   and name HB2 ))
      6.000     4.500     0.000 peak  3671 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.052 ppm2      3.425 CV     1
 ASSI { 3676}
   (  segid "    " and resid 136  and name HG2%)
   (( segid "    " and resid 142  and name HG1 ))
      6.000     4.500     0.000 peak  3676 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.041 ppm2      2.799 CV     1
 OR { 3676}
   (  segid "    " and resid 136  and name HG1%)
   (( segid "    " and resid 142  and name HG1 ))
 ASSI { 3677}
   (  segid "    " and resid 136  and name HG2%)
   (( segid "    " and resid 142  and name HG2 ))
      6.000     4.500     0.000 peak  3677 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.041 ppm2      2.652 CV     1
 OR { 3677}
   (  segid "    " and resid 136  and name HG1%)
   (( segid "    " and resid 142  and name HG2 ))
 ASSI { 3678}
   (  segid "    " and resid 73   and name HG2%)
   (( segid "    " and resid 74   and name HB2 ))
      6.000     4.500     0.000 peak  3678 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.041 ppm2      2.169 CV     1
 OR { 3678}
   (  segid "    " and resid 73   and name HG2%)
   (( segid "    " and resid 74   and name HB1 ))
 ASSI { 3680}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 5    and name HN  ))
      6.000     4.500     0.000 peak  3680 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.963 ppm2      9.520 CV     1
 OR { 3680}
   (  segid "    " and resid 58   and name HG1%)
   (( segid "    " and resid 5    and name HN  ))
 ASSI { 3681}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 60   and name HN  ))
      6.000     4.500     0.000 peak  3681 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.964 ppm2      9.302 CV     1
 OR { 3681}
   (  segid "    " and resid 58   and name HG1%)
   (( segid "    " and resid 60   and name HN  ))
 ASSI { 3683}
   (  segid "    " and resid 58   and name HG1%)
   (( segid "    " and resid 35   and name HN  ))
      6.000     4.500     0.000 peak  3683 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.961 ppm2      7.362 CV     1
 OR { 3683}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 35   and name HN  ))
 ASSI { 3684}
   (  segid "    " and resid 58   and name HG1%)
   (( segid "    " and resid 33   and name HA  ))
      6.000     4.500     0.000 peak  3684 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.962 ppm2      3.892 CV     1
 OR { 3684}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 33   and name HA  ))
 ASSI { 3685}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 59   and name HN  ))
      6.000     4.500     0.000 peak  3685 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.956 ppm2      8.595 CV     1
 OR { 3685}
   (  segid "    " and resid 58   and name HG1%)
   (( segid "    " and resid 59   and name HN  ))
 ASSI { 3687}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 5    and name HB  ))
      6.000     4.500     0.000 peak  3687 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.956 ppm2      1.748 CV     1
 OR { 3687}
   (  segid "    " and resid 58   and name HG1%)
   (( segid "    " and resid 5    and name HB  ))
 ASSI { 3704}
   (  segid "    " and resid 147  and name HD2%)
   (( segid "    " and resid 150  and name HN  ))
      6.000     4.500     0.000 peak  3704 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1     -0.561 ppm2      7.833 CV     1
 ASSI { 3710}
   (  segid "    " and resid 147  and name HD2%)
   (( segid "    " and resid 147  and name HB1 ))
      6.000     4.500     0.000 peak  3710 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1     -0.564 ppm2      0.699 CV     1
 ASSI { 3711}
   (  segid "    " and resid 147  and name HD2%)
   (( segid "    " and resid 125  and name HG  ))
      6.000     4.500     0.000 peak  3711 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1     -0.562 ppm2      0.332 CV     1
 ASSI { 3712}
   (  segid "    " and resid 147  and name HD2%)
   (( segid "    " and resid 122  and name HA2 ))
      6.000     4.500     0.000 peak  3712 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1     -0.570 ppm2      4.082 CV     1
 ASSI { 3713}
   (  segid "    " and resid 147  and name HD2%)
   (( segid "    " and resid 119  and name HA  ))
      6.000     4.500     0.000 peak  3713 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1     -0.567 ppm2      3.805 CV     1
 ASSI { 3714}
   (  segid "    " and resid 147  and name HD2%)
   (( segid "    " and resid 152  and name HB2 ))
      6.000     4.500     0.000 peak  3714 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1     -0.566 ppm2      3.390 CV     1
 ASSI { 3720}
   (  segid "    " and resid 6    and name HB% )
   (( segid "    " and resid 57   and name HA  ))
      6.000     4.500     0.000 peak  3720 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.751 ppm2      5.651 CV     1
 ASSI { 3729}
   (  segid "    " and resid 105  and name HG1%)
   (( segid "    " and resid 107  and name HD21))
      6.000     4.500     0.000 peak  3729 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.030 ppm2      7.797 CV     1
 OR { 3729}
   (  segid "    " and resid 105  and name HG2%)
   (( segid "    " and resid 107  and name HD21))
 ASSI { 3730}
   (  segid "    " and resid 105  and name HG1%)
   (( segid "    " and resid 107  and name HD22))
      6.000     4.500     0.000 peak  3730 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.028 ppm2      6.793 CV     1
 OR { 3730}
   (  segid "    " and resid 105  and name HG2%)
   (( segid "    " and resid 107  and name HD22))
 ASSI { 3731}
   (  segid "    " and resid 105  and name HG1%)
   (( segid "    " and resid 106  and name HN  ))
      6.000     4.500     0.000 peak  3731 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.019 ppm2      9.410 CV     1
 OR { 3731}
   (  segid "    " and resid 105  and name HG2%)
   (( segid "    " and resid 106  and name HN  ))
 ASSI { 3737}
   (  segid "    " and resid 105  and name HG2%)
   (( segid "    " and resid 138  and name HD1 ))
      6.000     4.500     0.000 peak  3737 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.009 ppm2      4.018 CV     1
 OR { 3737}
   (  segid "    " and resid 105  and name HG2%)
   (( segid "    " and resid 138  and name HD2 ))
 OR { 3737}
   (  segid "    " and resid 105  and name HG1%)
   (( segid "    " and resid 138  and name HD1 ))
 OR { 3737}
   (  segid "    " and resid 105  and name HG1%)
   (( segid "    " and resid 138  and name HD2 ))
 ASSI { 3750}
   (( segid "    " and resid 1    and name HG21))
   (( segid "    " and resid 2    and name HB  ))
      6.000     4.500     0.000 peak  3750 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.512 ppm2      1.762 CV     1
 ASSI { 3751}
   (( segid "    " and resid 1    and name HG21))
   (  segid "    " and resid 3    and name HB% )
      6.000     4.500     0.000 peak  3751 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.511 ppm2      1.203 CV     1
 ASSI { 3755}
   (  segid "    " and resid 6    and name HB% )
   (( segid "    " and resid 6    and name HN  ))
      6.000     4.500     0.000 peak  3755 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.749 ppm2      9.960 CV     1
 ASSI { 3756}
   (  segid "    " and resid 6    and name HB% )
   (( segid "    " and resid 58   and name HN  ))
      6.000     4.500     0.000 peak  3756 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.751 ppm2      9.167 CV     1
 ASSI { 3763}
   (  segid "    " and resid 112  and name HG2%)
   (( segid "    " and resid 113  and name HN  ))
      6.000     4.500     0.000 peak  3763 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.432 ppm2      9.346 CV     1
 ASSI { 3773}
   (  segid "    " and resid 112  and name HG2%)
   (( segid "    " and resid 99   and name HG2 ))
      6.000     4.500     0.000 peak  3773 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.432 ppm2      2.669 CV     1
 ASSI { 3784}
   (  segid "    " and resid 105  and name HG2%)
   (( segid "    " and resid 138  and name HA  ))
      6.000     4.500     0.000 peak  3784 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.008 ppm2      4.486 CV     1
 OR { 3784}
   (  segid "    " and resid 105  and name HG1%)
   (( segid "    " and resid 138  and name HA  ))
 ASSI { 3787}
   (  segid "    " and resid 83   and name HG2%)
   (( segid "    " and resid 87   and name HA  ))
      6.000     4.500     0.000 peak  3787 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.959 ppm2      4.092 CV     1
 OR { 3787}
   (  segid "    " and resid 83   and name HG1%)
   (( segid "    " and resid 87   and name HA  ))
 ASSI { 3790}
   (( segid "    " and resid 1    and name HG21))
   (( segid "    " and resid 4    and name HN  ))
      6.000     4.500     0.000 peak  3790 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.512 ppm2      8.573 CV     1
 ASSI { 3792}
   (( segid "    " and resid 1    and name HG21))
   (  segid "    " and resid 101  and name HD% )
      6.000     4.500     0.000 peak  3792 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.511 ppm2      7.004 CV     1
 ASSI { 3793}
   (( segid "    " and resid 1    and name HG21))
   (( segid "    " and resid 102  and name HA1 ))
      6.000     4.500     0.000 peak  3793 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.512 ppm2      3.862 CV     1
 OR { 3793}
   (( segid "    " and resid 1    and name HG21))
   (( segid "    " and resid 102  and name HA2 ))
 ASSI { 3799}
   (  segid "    " and resid 83   and name HG2%)
   (( segid "    " and resid 83   and name HN  ))
      6.000     4.500     0.000 peak  3799 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.976 ppm2      8.489 CV     1
 OR { 3799}
   (  segid "    " and resid 83   and name HG1%)
   (( segid "    " and resid 83   and name HN  ))
 ASSI { 3801}
   (  segid "    " and resid 18   and name HG1%)
   (( segid "    " and resid 18   and name HN  ))
      6.000     4.500     0.000 peak  3801 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.297 ppm2      8.532 CV     1
 ASSI { 3804}
   (  segid "    " and resid 18   and name HG1%)
   (( segid "    " and resid 15   and name HA  ))
      6.000     4.500     0.000 peak  3804 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.295 ppm2      3.458 CV     1
 ASSI { 3806}
   (  segid "    " and resid 18   and name HG1%)
   (( segid "    " and resid 9    and name HB2 ))
      6.000     4.500     0.000 peak  3806 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.303 ppm2      3.189 CV     1
 ASSI { 3809}
   (  segid "    " and resid 18   and name HG1%)
   (  segid "    " and resid 22   and name HD2%)
      6.000     4.500     0.000 peak  3809 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.299 ppm2      1.089 CV     1
 ASSI { 3810}
   (  segid "    " and resid 18   and name HG1%)
   (  segid "    " and resid 22   and name HD1%)
      6.000     4.500     0.000 peak  3810 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.299 ppm2      0.823 CV     1
 ASSI { 3821}
   (  segid "    " and resid 2    and name HG1%)
   (( segid "    " and resid 34   and name HB2 ))
      6.000     4.500     0.000 peak  3821 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.130 ppm2      1.528 CV     1
 ASSI { 3828}
   (  segid "    " and resid 36   and name HG2%)
   (( segid "    " and resid 37   and name HN  ))
      6.000     4.500     0.000 peak  3828 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.330 ppm2      9.201 CV     1
 ASSI { 3858}
   (  segid "    " and resid 24   and name HB% )
   (  segid "    " and resid 76   and name HG2%)
      6.000     4.500     0.000 peak  3858 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.519 ppm2      0.853 CV     1
 ASSI { 3860}
   (  segid "    " and resid 24   and name HB% )
   (( segid "    " and resid 76   and name HN  ))
      6.000     4.500     0.000 peak  3860 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.516 ppm2      8.054 CV     1
 ASSI { 3863}
   (  segid "    " and resid 24   and name HB% )
   (( segid "    " and resid 24   and name HA  ))
      6.000     4.500     0.000 peak  3863 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.518 ppm2      4.172 CV     1
 ASSI { 3864}
   (  segid "    " and resid 24   and name HB% )
   (( segid "    " and resid 21   and name HA  ))
      6.000     4.500     0.000 peak  3864 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.518 ppm2      3.952 CV     1
 ASSI { 3866}
   (  segid "    " and resid 24   and name HB% )
   (( segid "    " and resid 76   and name HG11))
      6.000     4.500     0.000 peak  3866 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.514 ppm2      2.089 CV     1
 OR { 3866}
   (  segid "    " and resid 24   and name HB% )
   (( segid "    " and resid 76   and name HG12))
 ASSI { 3867}
   (  segid "    " and resid 24   and name HB% )
   (( segid "    " and resid 76   and name HA  ))
      6.000     4.500     0.000 peak  3867 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.502 ppm2      3.774 CV     1
 ASSI { 3883}
   (  segid "    " and resid 132  and name HB% )
   (  segid "    " and resid 135  and name HD2%)
      6.000     4.500     0.000 peak  3883 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.992 ppm2      0.375 CV     1
 ASSI { 3884}
   (  segid "    " and resid 132  and name HB% )
   (  segid "    " and resid 135  and name HD1%)
      6.000     4.500     0.000 peak  3884 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.991 ppm2      0.098 CV     1
 ASSI { 3893}
   (  segid "    " and resid 21   and name HB% )
   (( segid "    " and resid 20   and name HN  ))
      6.000     4.500     0.000 peak  3893 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.445 ppm2      8.185 CV     1
 ASSI { 3894}
   (  segid "    " and resid 21   and name HB% )
   (( segid "    " and resid 24   and name HN  ))
      6.000     4.500     0.000 peak  3894 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.451 ppm2      7.888 CV     1
 ASSI { 3895}
   (  segid "    " and resid 21   and name HB% )
   (( segid "    " and resid 23   and name HN  ))
      6.000     4.500     0.000 peak  3895 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.442 ppm2      7.759 CV     1
 ASSI { 3896}
   (  segid "    " and resid 21   and name HB% )
   (( segid "    " and resid 18   and name HA  ))
      6.000     4.500     0.000 peak  3896 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.442 ppm2      3.323 CV     1
 ASSI { 3901}
   (  segid "    " and resid 62   and name HG2%)
   (( segid "    " and resid 69   and name HB1 ))
      6.000     4.500     0.000 peak  3901 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.093 ppm2      2.185 CV     1
 ASSI { 3910}
   (  segid "    " and resid 106  and name HG2%)
   (( segid "    " and resid 107  and name HA  ))
      6.000     4.500     0.000 peak  3910 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.915 ppm2      5.495 CV     1
 ASSI { 3912}
   (  segid "    " and resid 106  and name HG2%)
   (( segid "    " and resid 106  and name HB  ))
      6.000     4.500     0.000 peak  3912 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.915 ppm2      1.412 CV     1
 ASSI { 3913}
   (  segid "    " and resid 106  and name HG2%)
   (  segid "    " and resid 106  and name HD1%)
      6.000     4.500     0.000 peak  3913 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.913 ppm2      0.607 CV     1
 ASSI { 3938}
   (  segid "    " and resid 20   and name HB% )
   (( segid "    " and resid 21   and name HN  ))
      6.000     4.500     0.000 peak  3938 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.526 ppm2      8.592 CV     1
 ASSI { 3943}
   (  segid "    " and resid 20   and name HB% )
   (( segid "    " and resid 20   and name HA  ))
      6.000     4.500     0.000 peak  3943 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.526 ppm2      4.180 CV     1
 ASSI { 3944}
   (  segid "    " and resid 20   and name HB% )
   (( segid "    " and resid 80   and name HB1 ))
      6.000     4.500     0.000 peak  3944 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.524 ppm2      2.300 CV     1
 OR { 3944}
   (  segid "    " and resid 20   and name HB% )
   (( segid "    " and resid 80   and name HB2 ))
 ASSI { 3945}
   (  segid "    " and resid 20   and name HB% )
   (( segid "    " and resid 17   and name HB1 ))
      6.000     4.500     0.000 peak  3945 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.523 ppm2      1.973 CV     1
 ASSI { 3985}
   (  segid "    " and resid 76   and name HG2%)
   (( segid "    " and resid 21   and name HN  ))
      6.000     4.500     0.000 peak  3985 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.850 ppm2      8.582 CV     1
 ASSI { 3994}
   (  segid "    " and resid 146  and name HG2%)
   (( segid "    " and resid 119  and name HE1 ))
      6.000     4.500     0.000 peak  3994 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.743 ppm2      2.274 CV     1
 ASSI { 4026}
   (  segid "    " and resid 76   and name HG2%)
   (( segid "    " and resid 24   and name HN  ))
      6.000     4.500     0.000 peak  4026 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.848 ppm2      7.889 CV     1
 ASSI { 4031}
   (  segid "    " and resid 33   and name HG2%)
   (( segid "    " and resid 35   and name HN  ))
      6.000     4.500     0.000 peak  4031 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.757 ppm2      7.350 CV     1
 ASSI { 4045}
   (  segid "    " and resid 5    and name HG2%)
   (( segid "    " and resid 5    and name HN  ))
      6.000     4.500     0.000 peak  4045 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.830 ppm2      9.538 CV     1
 ASSI { 4049}
   (  segid "    " and resid 5    and name HG2%)
   (( segid "    " and resid 96   and name HA  ))
      6.000     4.500     0.000 peak  4049 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.826 ppm2      5.452 CV     1
 ASSI { 4050}
   (  segid "    " and resid 5    and name HG2%)
   (( segid "    " and resid 5    and name HB  ))
      6.000     4.500     0.000 peak  4050 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.824 ppm2      1.733 CV     1
 ASSI { 4052}
   (  segid "    " and resid 28   and name HG2%)
   (( segid "    " and resid 29   and name HA  ))
      6.000     4.500     0.000 peak  4052 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.598 ppm2      4.336 CV     1
 ASSI { 4059}
   (  segid "    " and resid 28   and name HG2%)
   (( segid "    " and resid 69   and name HA  ))
      6.000     4.500     0.000 peak  4059 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.592 ppm2      4.161 CV     1
 ASSI { 4064}
   (  segid "    " and resid 28   and name HG2%)
   (( segid "    " and resid 28   and name HG12))
      6.000     4.500     0.000 peak  4064 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.593 ppm2      2.049 CV     1
 OR { 4064}
   (  segid "    " and resid 28   and name HG2%)
   (( segid "    " and resid 28   and name HG11))
 ASSI { 4065}
   (  segid "    " and resid 151  and name HB% )
   (( segid "    " and resid 150  and name HN  ))
      6.000     4.500     0.000 peak  4065 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.201 ppm2      7.848 CV     1
 ASSI { 4072}
   (  segid "    " and resid 28   and name HD1%)
   (( segid "    " and resid 29   and name HD2 ))
      6.000     4.500     0.000 peak  4072 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.795 ppm2      3.647 CV     1
 ASSI { 4077}
   (  segid "    " and resid 146  and name HD1%)
   (( segid "    " and resid 147  and name HN  ))
      6.000     4.500     0.000 peak  4077 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.477 ppm2      7.424 CV     1
 ASSI { 4078}
   (  segid "    " and resid 146  and name HD1%)
   (( segid "    " and resid 119  and name HA  ))
      6.000     4.500     0.000 peak  4078 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.478 ppm2      3.784 CV     1
 ASSI { 4089}
   (  segid "    " and resid 146  and name HD1%)
   (( segid "    " and resid 143  and name HA  ))
      6.000     4.500     0.000 peak  4089 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.473 ppm2      4.083 CV     1
 ASSI { 4092}
   (  segid "    " and resid 146  and name HD1%)
   (( segid "    " and resid 119  and name HB1 ))
      6.000     4.500     0.000 peak  4092 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.474 ppm2      1.456 CV     1
 ASSI { 4141}
   (  segid "    " and resid 106  and name HD1%)
   (  segid "    " and resid 101  and name HD% )
      6.000     4.500     0.000 peak  4141 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.614 ppm2      7.000 CV     1
 ASSI { 4152}
   (  segid "    " and resid 33   and name HD1%)
   (( segid "    " and resid 33   and name HB  ))
      6.000     4.500     0.000 peak  4152 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.868 ppm2      1.763 CV     1
 ASSI { 4153}
   (  segid "    " and resid 33   and name HD1%)
   (( segid "    " and resid 33   and name HG12))
      6.000     4.500     0.000 peak  4153 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.870 ppm2      1.565 CV     1
 OR { 4153}
   (  segid "    " and resid 33   and name HD1%)
   (( segid "    " and resid 33   and name HG11))
 ASSI { 4155}
   (  segid "    " and resid 33   and name HD1%)
   (( segid "    " and resid 59   and name HN  ))
      6.000     4.500     0.000 peak  4155 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.864 ppm2      8.582 CV     1
 ASSI { 4157}
   (  segid "    " and resid 33   and name HD1%)
   (( segid "    " and resid 35   and name HN  ))
      6.000     4.500     0.000 peak  4157 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.864 ppm2      7.342 CV     1
 ASSI { 4159}
   (  segid "    " and resid 33   and name HD1%)
   (( segid "    " and resid 25   and name HB1 ))
      6.000     4.500     0.000 peak  4159 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.863 ppm2      2.112 CV     1
 ASSI {    1}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 3    and name HA  ))
      6.000     4.500     0.000 peak     1 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.281 ppm2      4.972 CV     1
 ASSI {    2}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 101  and name HA  ))
      6.000     4.500     0.000 peak     2 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.286 ppm2      4.529 CV     1
 ASSI {    5}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 4    and name HN  ))
      6.000     4.500     0.000 peak     5 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.274 ppm2      8.612 CV     1
 ASSI {    6}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 102  and name HN  ))
      6.000     4.500     0.000 peak     6 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.278 ppm2      8.378 CV     1
 ASSI {    7}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 61   and name HA  ))
      6.000     4.500     0.000 peak     7 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.277 ppm2      4.744 CV     1
 ASSI {    9}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 2    and name HA  ))
      6.000     4.500     0.000 peak     9 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.276 ppm2      4.219 CV     1
 ASSI {   12}
   (( segid "    " and resid 3    and name HN  ))
   (  segid "    " and resid 3    and name HB% )
      6.000     4.500     0.000 peak    12 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.277 ppm2      1.219 CV     1
 ASSI {   13}
   (( segid "    " and resid 3    and name HN  ))
   (  segid "    " and resid 62   and name HG2%)
      6.000     4.500     0.000 peak    13 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.277 ppm2      1.082 CV     1
 ASSI {   14}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 60   and name HB1 ))
      6.000     4.500     0.000 peak    14 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.275 ppm2      0.999 CV     1
 ASSI {   15}
   (( segid "    " and resid 3    and name HN  ))
   (  segid "    " and resid 2    and name HG2%)
      6.000     4.500     0.000 peak    15 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.277 ppm2      0.779 CV     1
 ASSI {   16}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 1    and name HG21))
      6.000     4.500     0.000 peak    16 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.277 ppm2      0.514 CV     1
 ASSI {   17}
   (( segid "    " and resid 3    and name HN  ))
   (  segid "    " and resid 2    and name HG1%)
      6.000     4.500     0.000 peak    17 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.275 ppm2      0.133 CV     1
 ASSI {   23}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 98   and name HA  ))
      6.000     4.500     0.000 peak    23 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.977 ppm2      4.189 CV     1
 ASSI {   24}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 99   and name HG2 ))
      6.000     4.500     0.000 peak    24 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.973 ppm2      2.655 CV     1
 ASSI {   25}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 99   and name HG1 ))
      6.000     4.500     0.000 peak    25 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.974 ppm2      2.191 CV     1
 ASSI {   26}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 5    and name HG12))
      6.000     4.500     0.000 peak    26 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.975 ppm2      1.548 CV     1
 ASSI {   28}
   (( segid "    " and resid 6    and name HN  ))
   (  segid "    " and resid 5    and name HG2%)
      6.000     4.500     0.000 peak    28 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.973 ppm2      0.829 CV     1
 ASSI {   29}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 99   and name HN  ))
      6.000     4.500     0.000 peak    29 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.968 ppm2      9.562 CV     1
 ASSI {   30}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 96   and name HA  ))
      6.000     4.500     0.000 peak    30 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.965 ppm2      5.443 CV     1
 ASSI {   31}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 5    and name HA  ))
      6.000     4.500     0.000 peak    31 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.969 ppm2      4.953 CV     1
 ASSI {   33}
   (( segid "    " and resid 6    and name HN  ))
   (  segid "    " and resid 6    and name HB% )
      6.000     4.500     0.000 peak    33 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.970 ppm2      1.751 CV     1
 ASSI {   36}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 4    and name HA  ))
      6.000     4.500     0.000 peak    36 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.976 ppm2      5.615 CV     1
 ASSI {   38}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 97   and name HB2 ))
      6.000     4.500     0.000 peak    38 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.966 ppm2      2.520 CV     1
 ASSI {   47}
   (( segid "    " and resid 96   and name HN  ))
   (( segid "    " and resid 97   and name HN  ))
      6.000     4.500     0.000 peak    47 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1     10.550 ppm2      8.830 CV     1
 ASSI {   48}
   (( segid "    " and resid 96   and name HN  ))
   (( segid "    " and resid 95   and name HA  ))
      6.000     4.500     0.000 peak    48 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1     10.553 ppm2      5.158 CV     1
 ASSI {   50}
   (( segid "    " and resid 96   and name HN  ))
   (( segid "    " and resid 77   and name HG2 ))
      6.000     4.500     0.000 peak    50 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1     10.547 ppm2      2.822 CV     1
 ASSI {   52}
   (( segid "    " and resid 96   and name HN  ))
   (( segid "    " and resid 96   and name HG  ))
      6.000     4.500     0.000 peak    52 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1     10.555 ppm2      1.599 CV     1
 ASSI {   54}
   (( segid "    " and resid 96   and name HN  ))
   (( segid "    " and resid 96   and name HB1 ))
      6.000     4.500     0.000 peak    54 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1     10.552 ppm2      0.958 CV     1
 ASSI {   56}
   (( segid "    " and resid 96   and name HN  ))
   (( segid "    " and resid 95   and name HN  ))
      6.000     4.500     0.000 peak    56 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1     10.540 ppm2      9.249 CV     1
 ASSI {   59}
   (( segid "    " and resid 96   and name HN  ))
   (( segid "    " and resid 95   and name HB1 ))
      6.000     4.500     0.000 peak    59 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1     10.550 ppm2      2.535 CV     1
 ASSI {   77}
   (( segid "    " and resid 106  and name HN  ))
   (( segid "    " and resid 114  and name HD2 ))
      6.000     4.500     0.000 peak    77 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.427 ppm2      3.670 CV     1
 ASSI {   79}
   (( segid "    " and resid 106  and name HN  ))
   (( segid "    " and resid 105  and name HN  ))
      6.000     4.500     0.000 peak    79 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.419 ppm2      8.188 CV     1
 ASSI {   80}
   (( segid "    " and resid 106  and name HN  ))
   (( segid "    " and resid 112  and name HA  ))
      6.000     4.500     0.000 peak    80 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.421 ppm2      5.217 CV     1
 ASSI {   81}
   (( segid "    " and resid 106  and name HN  ))
   (( segid "    " and resid 105  and name HA  ))
      6.000     4.500     0.000 peak    81 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.416 ppm2      4.665 CV     1
 ASSI {   85}
   (( segid "    " and resid 106  and name HN  ))
   (( segid "    " and resid 113  and name HB  ))
      6.000     4.500     0.000 peak    85 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.418 ppm2      1.861 CV     1
 ASSI {   86}
   (( segid "    " and resid 106  and name HN  ))
   (( segid "    " and resid 106  and name HB  ))
      6.000     4.500     0.000 peak    86 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.416 ppm2      1.419 CV     1
 ASSI {   87}
   (( segid "    " and resid 106  and name HN  ))
   (  segid "    " and resid 113  and name HG2%)
      6.000     4.500     0.000 peak    87 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.414 ppm2      1.142 CV     1
 ASSI {   89}
   (( segid "    " and resid 106  and name HN  ))
   (  segid "    " and resid 106  and name HG2%)
      6.000     4.500     0.000 peak    89 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.416 ppm2      0.897 CV     1
 ASSI {   90}
   (( segid "    " and resid 106  and name HN  ))
   (  segid "    " and resid 106  and name HD1%)
      6.000     4.500     0.000 peak    90 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.419 ppm2      0.614 CV     1
 ASSI {   95}
   (( segid "    " and resid 106  and name HN  ))
   (( segid "    " and resid 107  and name HN  ))
      6.000     4.500     0.000 peak    95 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.415 ppm2      9.201 CV     1
 ASSI {   97}
   (( segid "    " and resid 106  and name HN  ))
   (( segid "    " and resid 104  and name HB2 ))
      6.000     4.500     0.000 peak    97 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.415 ppm2      2.189 CV     1
 ASSI {   98}
   (( segid "    " and resid 132  and name HN  ))
   (( segid "    " and resid 129  and name HB1 ))
      6.000     4.500     0.000 peak    98 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.328 ppm2      2.897 CV     1
 ASSI {  102}
   (( segid "    " and resid 132  and name HN  ))
   (( segid "    " and resid 130  and name HN  ))
      6.000     4.500     0.000 peak   102 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.323 ppm2      7.605 CV     1
 ASSI {  104}
   (( segid "    " and resid 132  and name HN  ))
   (( segid "    " and resid 131  and name HN  ))
      6.000     4.500     0.000 peak   104 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.322 ppm2      6.912 CV     1
 ASSI {  106}
   (( segid "    " and resid 132  and name HN  ))
   (( segid "    " and resid 128  and name HN  ))
      6.000     4.500     0.000 peak   106 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.323 ppm2      6.506 CV     1
 ASSI {  108}
   (( segid "    " and resid 132  and name HN  ))
   (( segid "    " and resid 132  and name HA  ))
      6.000     4.500     0.000 peak   108 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.323 ppm2      4.765 CV     1
 ASSI {  110}
   (( segid "    " and resid 132  and name HN  ))
   (( segid "    " and resid 131  and name HA  ))
      6.000     4.500     0.000 peak   110 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.323 ppm2      4.477 CV     1
 ASSI {  111}
   (( segid "    " and resid 132  and name HN  ))
   (( segid "    " and resid 133  and name HA  ))
      6.000     4.500     0.000 peak   111 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.325 ppm2      4.115 CV     1
 ASSI {  113}
   (( segid "    " and resid 132  and name HN  ))
   (( segid "    " and resid 133  and name HD2 ))
      6.000     4.500     0.000 peak   113 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.325 ppm2      3.419 CV     1
 ASSI {  114}
   (( segid "    " and resid 132  and name HN  ))
   (( segid "    " and resid 133  and name HD1 ))
      6.000     4.500     0.000 peak   114 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.323 ppm2      3.114 CV     1
 ASSI {  116}
   (( segid "    " and resid 132  and name HN  ))
   (( segid "    " and resid 130  and name HB2 ))
      6.000     4.500     0.000 peak   116 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.327 ppm2      2.612 CV     1
 ASSI {  117}
   (( segid "    " and resid 132  and name HN  ))
   (( segid "    " and resid 130  and name HB1 ))
      6.000     4.500     0.000 peak   117 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.323 ppm2      2.271 CV     1
 ASSI {  118}
   (( segid "    " and resid 132  and name HN  ))
   (( segid "    " and resid 131  and name HB  ))
      6.000     4.500     0.000 peak   118 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.321 ppm2      2.136 CV     1
 ASSI {  119}
   (( segid "    " and resid 132  and name HN  ))
   (( segid "    " and resid 128  and name HB2 ))
      6.000     4.500     0.000 peak   119 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.323 ppm2      2.006 CV     1
 ASSI {  120}
   (( segid "    " and resid 132  and name HN  ))
   (( segid "    " and resid 133  and name HG1 ))
      6.000     4.500     0.000 peak   120 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.323 ppm2      1.789 CV     1
 OR {  120}
   (( segid "    " and resid 132  and name HN  ))
   (( segid "    " and resid 133  and name HG2 ))
 ASSI {  121}
   (( segid "    " and resid 132  and name HN  ))
   (( segid "    " and resid 131  and name HG12))
      6.000     4.500     0.000 peak   121 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.324 ppm2      1.606 CV     1
 ASSI {  122}
   (( segid "    " and resid 132  and name HN  ))
   (( segid "    " and resid 131  and name HG11))
      6.000     4.500     0.000 peak   122 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.322 ppm2      1.479 CV     1
 ASSI {  125}
   (( segid "    " and resid 132  and name HN  ))
   (  segid "    " and resid 132  and name HB% )
      6.000     4.500     0.000 peak   125 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.323 ppm2      0.993 CV     1
 ASSI {  127}
   (( segid "    " and resid 132  and name HN  ))
   (  segid "    " and resid 128  and name HD1%)
      6.000     4.500     0.000 peak   127 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.323 ppm2      0.589 CV     1
 OR {  127}
   (( segid "    " and resid 132  and name HN  ))
   (  segid "    " and resid 128  and name HD2%)
 ASSI {  129}
   (( segid "    " and resid 132  and name HN  ))
   (( segid "    " and resid 128  and name HG  ))
      6.000     4.500     0.000 peak   129 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.323 ppm2      0.282 CV     1
 ASSI {  138}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 60   and name HN  ))
      6.000     4.500     0.000 peak   138 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.789 ppm2      9.312 CV     1
 ASSI {  140}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 32   and name HN  ))
      6.000     4.500     0.000 peak   140 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.794 ppm2      8.981 CV     1
 ASSI {  142}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 35   and name HN  ))
      6.000     4.500     0.000 peak   142 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.788 ppm2      7.353 CV     1
 ASSI {  143}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 31   and name HA  ))
      6.000     4.500     0.000 peak   143 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.791 ppm2      5.917 CV     1
 ASSI {  146}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 34   and name HA  ))
      6.000     4.500     0.000 peak   146 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.792 ppm2      4.501 CV     1
 ASSI {  147}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 33   and name HA  ))
      6.000     4.500     0.000 peak   147 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.791 ppm2      3.873 CV     1
 ASSI {  148}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 61   and name HG2 ))
      6.000     4.500     0.000 peak   148 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.790 ppm2      2.205 CV     1
 ASSI {  149}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 61   and name HG1 ))
      6.000     4.500     0.000 peak   149 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.791 ppm2      1.905 CV     1
 ASSI {  150}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 61   and name HB2 ))
      6.000     4.500     0.000 peak   150 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.787 ppm2      1.743 CV     1
 ASSI {  151}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 34   and name HB2 ))
      6.000     4.500     0.000 peak   151 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.791 ppm2      1.521 CV     1
 ASSI {  153}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 60   and name HB1 ))
      6.000     4.500     0.000 peak   153 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.791 ppm2      0.989 CV     1
 ASSI {  154}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 34   and name HG  ))
      6.000     4.500     0.000 peak   154 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.790 ppm2      0.793 CV     1
 ASSI {  155}
   (( segid "    " and resid 61   and name HN  ))
   (  segid "    " and resid 60   and name HD2%)
      6.000     4.500     0.000 peak   155 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.792 ppm2      0.666 CV     1
 ASSI {  161}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 58   and name HB  ))
      6.000     4.500     0.000 peak   161 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.604 ppm2      1.958 CV     1
 ASSI {  162}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 60   and name HN  ))
      6.000     4.500     0.000 peak   162 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.596 ppm2      9.323 CV     1
 ASSI {  163}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 35   and name HN  ))
      6.000     4.500     0.000 peak   163 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.600 ppm2      7.358 CV     1
 ASSI {  164}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 58   and name HA  ))
      6.000     4.500     0.000 peak   164 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.600 ppm2      4.924 CV     1
 ASSI {  165}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 59   and name HA  ))
      6.000     4.500     0.000 peak   165 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.603 ppm2      4.831 CV     1
 ASSI {  167}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 35   and name HA  ))
      6.000     4.500     0.000 peak   167 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.600 ppm2      4.582 CV     1
 ASSI {  168}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 35   and name HB  ))
      6.000     4.500     0.000 peak   168 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.598 ppm2      4.090 CV     1
 ASSI {  169}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 60   and name HB2 ))
      6.000     4.500     0.000 peak   169 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.593 ppm2      1.805 CV     1
 ASSI {  170}
   (( segid "    " and resid 59   and name HN  ))
   (  segid "    " and resid 59   and name HB% )
      6.000     4.500     0.000 peak   170 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.601 ppm2      1.241 CV     1
 ASSI {  171}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 5    and name HG11))
      6.000     4.500     0.000 peak   171 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.597 ppm2      1.102 CV     1
 ASSI {  172}
   (( segid "    " and resid 59   and name HN  ))
   (  segid "    " and resid 58   and name HG1%)
      6.000     4.500     0.000 peak   172 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.600 ppm2      0.970 CV     1
 OR {  172}
   (( segid "    " and resid 59   and name HN  ))
   (  segid "    " and resid 58   and name HG2%)
 ASSI {  173}
   (( segid "    " and resid 59   and name HN  ))
   (  segid "    " and resid 33   and name HD1%)
      6.000     4.500     0.000 peak   173 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.602 ppm2      0.855 CV     1
 ASSI {  174}
   (( segid "    " and resid 59   and name HN  ))
   (  segid "    " and resid 2    and name HG1%)
      6.000     4.500     0.000 peak   174 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.592 ppm2      0.115 CV     1
 ASSI {  176}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 61   and name HN  ))
      6.000     4.500     0.000 peak   176 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.155 ppm2      8.784 CV     1
 ASSI {  177}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 59   and name HN  ))
      6.000     4.500     0.000 peak   177 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.160 ppm2      8.598 CV     1
 ASSI {  178}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 35   and name HN  ))
      6.000     4.500     0.000 peak   178 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.158 ppm2      7.357 CV     1
 ASSI {  179}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 60   and name HA  ))
      6.000     4.500     0.000 peak   179 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.158 ppm2      4.739 CV     1
 ASSI {  180}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 34   and name HA  ))
      6.000     4.500     0.000 peak   180 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.159 ppm2      4.504 CV     1
 ASSI {  181}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 33   and name HA  ))
      6.000     4.500     0.000 peak   181 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.157 ppm2      3.871 CV     1
 ASSI {  182}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 34   and name HB2 ))
      6.000     4.500     0.000 peak   182 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.158 ppm2      1.536 CV     1
 ASSI {  190}
   (( segid "    " and resid 2    and name HN  ))
   (( segid "    " and resid 102  and name HN  ))
      6.000     4.500     0.000 peak   190 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.754 ppm2      8.392 CV     1
 ASSI {  192}
   (( segid "    " and resid 2    and name HN  ))
   (( segid "    " and resid 2    and name HA  ))
      6.000     4.500     0.000 peak   192 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.754 ppm2      4.219 CV     1
 ASSI {  193}
   (( segid "    " and resid 2    and name HN  ))
   (( segid "    " and resid 102  and name HA2 ))
      6.000     4.500     0.000 peak   193 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.754 ppm2      3.871 CV     1
 OR {  193}
   (( segid "    " and resid 2    and name HN  ))
   (( segid "    " and resid 102  and name HA1 ))
 ASSI {  195}
   (( segid "    " and resid 2    and name HN  ))
   (( segid "    " and resid 1    and name HA  ))
      6.000     4.500     0.000 peak   195 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.753 ppm2      3.610 CV     1
 ASSI {  197}
   (( segid "    " and resid 2    and name HN  ))
   (( segid "    " and resid 2    and name HB  ))
      6.000     4.500     0.000 peak   197 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.754 ppm2      1.754 CV     1
 ASSI {  198}
   (( segid "    " and resid 2    and name HN  ))
   (  segid "    " and resid 2    and name HG2%)
      6.000     4.500     0.000 peak   198 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.753 ppm2      0.768 CV     1
 ASSI {  199}
   (( segid "    " and resid 2    and name HN  ))
   (( segid "    " and resid 1    and name HG21))
      6.000     4.500     0.000 peak   199 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.753 ppm2      0.518 CV     1
 ASSI {  200}
   (( segid "    " and resid 2    and name HN  ))
   (  segid "    " and resid 2    and name HG1%)
      6.000     4.500     0.000 peak   200 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.754 ppm2      0.135 CV     1
 ASSI {  207}
   (( segid "    " and resid 99   and name HN  ))
   (( segid "    " and resid 98   and name HG12))
      6.000     4.500     0.000 peak   207 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.598 ppm2      1.875 CV     1
 ASSI {  211}
   (( segid "    " and resid 99   and name HN  ))
   (( segid "    " and resid 4    and name HN  ))
      6.000     4.500     0.000 peak   211 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.589 ppm2      8.625 CV     1
 ASSI {  212}
   (( segid "    " and resid 99   and name HN  ))
   (( segid "    " and resid 100  and name HN  ))
      6.000     4.500     0.000 peak   212 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.585 ppm2      7.491 CV     1
 ASSI {  213}
   (( segid "    " and resid 99   and name HN  ))
   (( segid "    " and resid 5    and name HA  ))
      6.000     4.500     0.000 peak   213 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.586 ppm2      4.957 CV     1
 ASSI {  214}
   (( segid "    " and resid 99   and name HN  ))
   (( segid "    " and resid 99   and name HA  ))
      6.000     4.500     0.000 peak   214 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.590 ppm2      4.533 CV     1
 ASSI {  215}
   (( segid "    " and resid 99   and name HN  ))
   (( segid "    " and resid 98   and name HA  ))
      6.000     4.500     0.000 peak   215 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.589 ppm2      4.184 CV     1
 ASSI {  216}
   (( segid "    " and resid 99   and name HN  ))
   (( segid "    " and resid 99   and name HG2 ))
      6.000     4.500     0.000 peak   216 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.586 ppm2      2.667 CV     1
 ASSI {  218}
   (( segid "    " and resid 99   and name HN  ))
   (( segid "    " and resid 118  and name HB1 ))
      6.000     4.500     0.000 peak   218 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.583 ppm2      1.938 CV     1
 OR {  218}
   (( segid "    " and resid 99   and name HN  ))
   (( segid "    " and resid 118  and name HB2 ))
 ASSI {  219}
   (( segid "    " and resid 99   and name HN  ))
   (  segid "    " and resid 6    and name HB% )
      6.000     4.500     0.000 peak   219 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.586 ppm2      1.770 CV     1
 ASSI {  220}
   (( segid "    " and resid 99   and name HN  ))
   (( segid "    " and resid 100  and name HG  ))
      6.000     4.500     0.000 peak   220 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.585 ppm2      1.585 CV     1
 ASSI {  221}
   (( segid "    " and resid 99   and name HN  ))
   (( segid "    " and resid 5    and name HG12))
      6.000     4.500     0.000 peak   221 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.587 ppm2      1.550 CV     1
 ASSI {  222}
   (( segid "    " and resid 99   and name HN  ))
   (  segid "    " and resid 69   and name HD2%)
      6.000     4.500     0.000 peak   222 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.589 ppm2      0.955 CV     1
 ASSI {  223}
   (( segid "    " and resid 99   and name HN  ))
   (  segid "    " and resid 5    and name HG2%)
      6.000     4.500     0.000 peak   223 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.585 ppm2      0.824 CV     1
 ASSI {  226}
   (( segid "    " and resid 113  and name HN  ))
   (( segid "    " and resid 112  and name HA  ))
      6.000     4.500     0.000 peak   226 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.348 ppm2      5.213 CV     1
 ASSI {  230}
   (( segid "    " and resid 113  and name HN  ))
   (( segid "    " and resid 112  and name HN  ))
      6.000     4.500     0.000 peak   230 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.343 ppm2      9.697 CV     1
 ASSI {  231}
   (( segid "    " and resid 113  and name HN  ))
   (( segid "    " and resid 108  and name HN  ))
      6.000     4.500     0.000 peak   231 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.345 ppm2      8.993 CV     1
 ASSI {  233}
   (( segid "    " and resid 113  and name HN  ))
   (( segid "    " and resid 107  and name HA  ))
      6.000     4.500     0.000 peak   233 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.344 ppm2      5.500 CV     1
 ASSI {  234}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 33   and name HA  ))
      6.000     4.500     0.000 peak   234 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.338 ppm2      3.886 CV     1
 ASSI {  238}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 33   and name HG12))
      6.000     4.500     0.000 peak   238 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.336 ppm2      1.584 CV     1
 OR {  238}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 33   and name HG11))
 ASSI {  240}
   (( segid "    " and resid 113  and name HN  ))
   (  segid "    " and resid 113  and name HG1%)
      6.000     4.500     0.000 peak   240 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.341 ppm2      0.867 CV     1
 ASSI {  243}
   (( segid "    " and resid 113  and name HN  ))
   (  segid "    " and resid 111  and name HD2%)
      6.000     4.500     0.000 peak   243 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.337 ppm2      0.294 CV     1
 ASSI {  244}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 5    and name HN  ))
      6.000     4.500     0.000 peak   244 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.325 ppm2      9.550 CV     1
 ASSI {  246}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 35   and name HN  ))
      6.000     4.500     0.000 peak   246 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.328 ppm2      7.337 CV     1
 ASSI {  248}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 4    and name HA  ))
      6.000     4.500     0.000 peak   248 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.324 ppm2      5.590 CV     1
 ASSI {  249}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 59   and name HA  ))
      6.000     4.500     0.000 peak   249 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.332 ppm2      4.825 CV     1
 ASSI {  253}
   (( segid "    " and resid 60   and name HN  ))
   (  segid "    " and resid 60   and name HD2%)
      6.000     4.500     0.000 peak   253 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.328 ppm2      0.668 CV     1
 ASSI {  254}
   (( segid "    " and resid 60   and name HN  ))
   (  segid "    " and resid 2    and name HG1%)
      6.000     4.500     0.000 peak   254 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.327 ppm2      0.131 CV     1
 ASSI {  263}
   (( segid "    " and resid 158  and name HN  ))
   (( segid "    " and resid 40   and name HA  ))
      6.000     4.500     0.000 peak   263 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.645 ppm2      5.138 CV     1
 ASSI {  264}
   (( segid "    " and resid 158  and name HN  ))
   (( segid "    " and resid 157  and name HA  ))
      6.000     4.500     0.000 peak   264 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.646 ppm2      4.465 CV     1
 ASSI {  265}
   (( segid "    " and resid 158  and name HN  ))
   (( segid "    " and resid 158  and name HA  ))
      6.000     4.500     0.000 peak   265 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.646 ppm2      3.872 CV     1
 ASSI {  266}
   (( segid "    " and resid 158  and name HN  ))
   (( segid "    " and resid 158  and name HB2 ))
      6.000     4.500     0.000 peak   266 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.645 ppm2      3.127 CV     1
 ASSI {  267}
   (( segid "    " and resid 158  and name HN  ))
   (( segid "    " and resid 158  and name HB1 ))
      6.000     4.500     0.000 peak   267 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.645 ppm2      2.810 CV     1
 ASSI {  268}
   (( segid "    " and resid 158  and name HN  ))
   (( segid "    " and resid 157  and name HG2 ))
      6.000     4.500     0.000 peak   268 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.645 ppm2      1.567 CV     1
 ASSI {  270}
   (( segid "    " and resid 158  and name HN  ))
   (( segid "    " and resid 41   and name HN  ))
      6.000     4.500     0.000 peak   270 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.639 ppm2      8.934 CV     1
 ASSI {  272}
   (( segid "    " and resid 158  and name HN  ))
   (( segid "    " and resid 39   and name HB2 ))
      6.000     4.500     0.000 peak   272 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.637 ppm2      3.311 CV     1
 ASSI {  273}
   (( segid "    " and resid 158  and name HN  ))
   (( segid "    " and resid 157  and name HB2 ))
      6.000     4.500     0.000 peak   273 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.642 ppm2      1.965 CV     1
 ASSI {  274}
   (( segid "    " and resid 158  and name HN  ))
   (( segid "    " and resid 157  and name HB1 ))
      6.000     4.500     0.000 peak   274 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.642 ppm2      1.763 CV     1
 ASSI {  280}
   (( segid "    " and resid 136  and name HN  ))
   (( segid "    " and resid 135  and name HN  ))
      6.000     4.500     0.000 peak   280 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.403 ppm2      7.258 CV     1
 ASSI {  282}
   (( segid "    " and resid 136  and name HN  ))
   (( segid "    " and resid 135  and name HA  ))
      6.000     4.500     0.000 peak   282 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.405 ppm2      3.836 CV     1
 ASSI {  283}
   (( segid "    " and resid 136  and name HN  ))
   (( segid "    " and resid 136  and name HB  ))
      6.000     4.500     0.000 peak   283 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.403 ppm2      1.937 CV     1
 ASSI {  285}
   (( segid "    " and resid 136  and name HN  ))
   (( segid "    " and resid 135  and name HG  ))
      6.000     4.500     0.000 peak   285 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.405 ppm2      1.210 CV     1
 ASSI {  286}
   (( segid "    " and resid 136  and name HN  ))
   (  segid "    " and resid 136  and name HG2%)
      6.000     4.500     0.000 peak   286 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.404 ppm2      1.035 CV     1
 OR {  286}
   (( segid "    " and resid 136  and name HN  ))
   (  segid "    " and resid 136  and name HG1%)
 ASSI {  287}
   (( segid "    " and resid 136  and name HN  ))
   (  segid "    " and resid 135  and name HD1%)
      6.000     4.500     0.000 peak   287 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.405 ppm2      0.370 CV     1
 ASSI {  294}
   (( segid "    " and resid 98   and name HN  ))
   (( segid "    " and resid 97   and name HA  ))
      6.000     4.500     0.000 peak   294 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1     10.989 ppm2      5.519 CV     1
 ASSI {  296}
   (( segid "    " and resid 98   and name HN  ))
   (( segid "    " and resid 98   and name HA  ))
      6.000     4.500     0.000 peak   296 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1     10.993 ppm2      4.188 CV     1
 ASSI {  297}
   (( segid "    " and resid 98   and name HN  ))
   (( segid "    " and resid 97   and name HB2 ))
      6.000     4.500     0.000 peak   297 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1     10.992 ppm2      2.531 CV     1
 ASSI {  298}
   (( segid "    " and resid 98   and name HN  ))
   (( segid "    " and resid 97   and name HB1 ))
      6.000     4.500     0.000 peak   298 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1     10.993 ppm2      2.334 CV     1
 ASSI {  299}
   (( segid "    " and resid 98   and name HN  ))
   (( segid "    " and resid 98   and name HG12))
      6.000     4.500     0.000 peak   299 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1     10.990 ppm2      1.873 CV     1
 ASSI {  301}
   (( segid "    " and resid 98   and name HN  ))
   (( segid "    " and resid 98   and name HG11))
      6.000     4.500     0.000 peak   301 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1     10.990 ppm2      0.945 CV     1
 ASSI {  302}
   (( segid "    " and resid 98   and name HN  ))
   (  segid "    " and resid 98   and name HG2%)
      6.000     4.500     0.000 peak   302 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1     10.991 ppm2      0.813 CV     1
 ASSI {  303}
   (( segid "    " and resid 98   and name HN  ))
   (  segid "    " and resid 70   and name HD1%)
      6.000     4.500     0.000 peak   303 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1     10.996 ppm2      0.688 CV     1
 ASSI {  305}
   (( segid "    " and resid 98   and name HN  ))
   (( segid "    " and resid 98   and name HB  ))
      6.000     4.500     0.000 peak   305 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1     10.984 ppm2      2.085 CV     1
 ASSI {  307}
   (( segid "    " and resid 103  and name HN  ))
   (( segid "    " and resid 104  and name HN  ))
      6.000     4.500     0.000 peak   307 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.259 ppm2      8.341 CV     1
 ASSI {  309}
   (( segid "    " and resid 103  and name HN  ))
   (( segid "    " and resid 103  and name HD21))
      6.000     4.500     0.000 peak   309 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.260 ppm2      7.567 CV     1
 ASSI {  311}
   (( segid "    " and resid 103  and name HN  ))
   (( segid "    " and resid 103  and name HA  ))
      6.000     4.500     0.000 peak   311 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.258 ppm2      5.169 CV     1
 ASSI {  313}
   (( segid "    " and resid 103  and name HN  ))
   (( segid "    " and resid 101  and name HA  ))
      6.000     4.500     0.000 peak   313 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.259 ppm2      4.559 CV     1
 ASSI {  314}
   (( segid "    " and resid 103  and name HN  ))
   (( segid "    " and resid 102  and name HA1 ))
      6.000     4.500     0.000 peak   314 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.260 ppm2      3.864 CV     1
 OR {  314}
   (( segid "    " and resid 103  and name HN  ))
   (( segid "    " and resid 102  and name HA2 ))
 ASSI {  315}
   (( segid "    " and resid 103  and name HN  ))
   (( segid "    " and resid 103  and name HB1 ))
      6.000     4.500     0.000 peak   315 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.259 ppm2      2.991 CV     1
 ASSI {  316}
   (( segid "    " and resid 103  and name HN  ))
   (( segid "    " and resid 103  and name HB2 ))
      6.000     4.500     0.000 peak   316 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.261 ppm2      2.650 CV     1
 ASSI {  317}
   (( segid "    " and resid 103  and name HN  ))
   (( segid "    " and resid 104  and name HG2 ))
      6.000     4.500     0.000 peak   317 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.255 ppm2      2.503 CV     1
 ASSI {  318}
   (( segid "    " and resid 103  and name HN  ))
   (( segid "    " and resid 104  and name HB2 ))
      6.000     4.500     0.000 peak   318 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.260 ppm2      2.156 CV     1
 ASSI {  320}
   (( segid "    " and resid 103  and name HN  ))
   (( segid "    " and resid 1    and name HG21))
      6.000     4.500     0.000 peak   320 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.258 ppm2      0.525 CV     1
 ASSI {  323}
   (( segid "    " and resid 103  and name HN  ))
   (( segid "    " and resid 104  and name HA  ))
      6.000     4.500     0.000 peak   323 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.253 ppm2      4.251 CV     1
 ASSI {  324}
   (( segid "    " and resid 103  and name HN  ))
   (( segid "    " and resid 100  and name HB1 ))
      6.000     4.500     0.000 peak   324 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.247 ppm2      1.782 CV     1
 ASSI {  363}
   (( segid "    " and resid 98   and name HN  ))
   (  segid "    " and resid 111  and name HD1%)
      6.000     4.500     0.000 peak   363 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1     10.995 ppm2      0.355 CV     1
 ASSI {  385}
   (( segid "    " and resid 107  and name HN  ))
   (( segid "    " and resid 113  and name HN  ))
      6.000     4.500     0.000 peak   385 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.195 ppm2      9.347 CV     1
 ASSI {  386}
   (( segid "    " and resid 107  and name HN  ))
   (( segid "    " and resid 108  and name HN  ))
      6.000     4.500     0.000 peak   386 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.193 ppm2      8.996 CV     1
 ASSI {  387}
   (( segid "    " and resid 107  and name HN  ))
   (( segid "    " and resid 107  and name HD21))
      6.000     4.500     0.000 peak   387 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.193 ppm2      7.793 CV     1
 ASSI {  388}
   (( segid "    " and resid 107  and name HN  ))
   (( segid "    " and resid 107  and name HA  ))
      6.000     4.500     0.000 peak   388 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.192 ppm2      5.501 CV     1
 ASSI {  393}
   (( segid "    " and resid 107  and name HN  ))
   (( segid "    " and resid 106  and name HA  ))
      6.000     4.500     0.000 peak   393 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.192 ppm2      4.299 CV     1
 ASSI {  395}
   (( segid "    " and resid 107  and name HN  ))
   (( segid "    " and resid 107  and name HB2 ))
      6.000     4.500     0.000 peak   395 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.192 ppm2      2.689 CV     1
 OR {  395}
   (( segid "    " and resid 107  and name HN  ))
   (( segid "    " and resid 107  and name HB1 ))
 ASSI {  396}
   (( segid "    " and resid 107  and name HN  ))
   (( segid "    " and resid 105  and name HB  ))
      6.000     4.500     0.000 peak   396 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.193 ppm2      2.010 CV     1
 ASSI {  397}
   (( segid "    " and resid 107  and name HN  ))
   (  segid "    " and resid 108  and name HG2%)
      6.000     4.500     0.000 peak   397 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.192 ppm2      1.205 CV     1
 ASSI {  398}
   (( segid "    " and resid 107  and name HN  ))
   (( segid "    " and resid 106  and name HG12))
      6.000     4.500     0.000 peak   398 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.193 ppm2      1.053 CV     1
 OR {  398}
   (( segid "    " and resid 107  and name HN  ))
   (( segid "    " and resid 106  and name HG11))
 ASSI {  399}
   (( segid "    " and resid 107  and name HN  ))
   (  segid "    " and resid 106  and name HG2%)
      6.000     4.500     0.000 peak   399 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.192 ppm2      0.920 CV     1
 ASSI {  402}
   (( segid "    " and resid 107  and name HN  ))
   (( segid "    " and resid 106  and name HB  ))
      6.000     4.500     0.000 peak   402 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.189 ppm2      1.418 CV     1
 ASSI {  406}
   (( segid "    " and resid 143  and name HN  ))
   (( segid "    " and resid 142  and name HN  ))
      6.000     4.500     0.000 peak   406 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.426 ppm2      9.241 CV     1
 ASSI {  428}
   (( segid "    " and resid 107  and name HN  ))
   (( segid "    " and resid 113  and name HB  ))
      6.000     4.500     0.000 peak   428 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.196 ppm2      1.865 CV     1
 ASSI {  431}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 83   and name HA  ))
      6.000     4.500     0.000 peak   431 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.704 ppm2      4.309 CV     1
 ASSI {  434}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 84   and name HB2 ))
      6.000     4.500     0.000 peak   434 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.704 ppm2      1.603 CV     1
 ASSI {  435}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 84   and name HB1 ))
      6.000     4.500     0.000 peak   435 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.702 ppm2      1.284 CV     1
 ASSI {  436}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 84   and name HG2 ))
      6.000     4.500     0.000 peak   436 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.705 ppm2      1.191 CV     1
 ASSI {  438}
   (( segid "    " and resid 84   and name HN  ))
   (  segid "    " and resid 83   and name HG1%)
      6.000     4.500     0.000 peak   438 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.702 ppm2      0.963 CV     1
 OR {  438}
   (( segid "    " and resid 84   and name HN  ))
   (  segid "    " and resid 83   and name HG2%)
 ASSI {  441}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 88   and name HN  ))
      6.000     4.500     0.000 peak   441 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.703 ppm2      8.383 CV     1
 ASSI {  447}
   (( segid "    " and resid 101  and name HN  ))
   (( segid "    " and resid 101  and name HA  ))
      6.000     4.500     0.000 peak   447 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.788 ppm2      4.520 CV     1
 ASSI {  451}
   (( segid "    " and resid 101  and name HN  ))
   (  segid "    " and resid 113  and name HG2%)
      6.000     4.500     0.000 peak   451 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.791 ppm2      1.150 CV     1
 ASSI {  452}
   (( segid "    " and resid 101  and name HN  ))
   (( segid "    " and resid 102  and name HN  ))
      6.000     4.500     0.000 peak   452 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.786 ppm2      8.405 CV     1
 ASSI {  453}
   (( segid "    " and resid 101  and name HN  ))
   (( segid "    " and resid 104  and name HN  ))
      6.000     4.500     0.000 peak   453 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.787 ppm2      8.349 CV     1
 ASSI {  454}
   (( segid "    " and resid 101  and name HN  ))
   (( segid "    " and resid 100  and name HN  ))
      6.000     4.500     0.000 peak   454 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.783 ppm2      7.525 CV     1
 ASSI {  456}
   (( segid "    " and resid 101  and name HN  ))
   (( segid "    " and resid 3    and name HA  ))
      6.000     4.500     0.000 peak   456 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.783 ppm2      4.956 CV     1
 ASSI {  457}
   (( segid "    " and resid 101  and name HN  ))
   (( segid "    " and resid 105  and name HA  ))
      6.000     4.500     0.000 peak   457 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.788 ppm2      4.681 CV     1
 ASSI {  458}
   (( segid "    " and resid 101  and name HN  ))
   (( segid "    " and resid 101  and name HB2 ))
      6.000     4.500     0.000 peak   458 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.787 ppm2      3.316 CV     1
 ASSI {  459}
   (( segid "    " and resid 101  and name HN  ))
   (( segid "    " and resid 101  and name HB1 ))
      6.000     4.500     0.000 peak   459 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.782 ppm2      2.323 CV     1
 ASSI {  460}
   (( segid "    " and resid 101  and name HN  ))
   (( segid "    " and resid 100  and name HB1 ))
      6.000     4.500     0.000 peak   460 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.787 ppm2      1.805 CV     1
 ASSI {  461}
   (( segid "    " and resid 101  and name HN  ))
   (( segid "    " and resid 100  and name HG  ))
      6.000     4.500     0.000 peak   461 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.784 ppm2      1.619 CV     1
 ASSI {  463}
   (( segid "    " and resid 101  and name HN  ))
   (  segid "    " and resid 113  and name HG1%)
      6.000     4.500     0.000 peak   463 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.784 ppm2      0.835 CV     1
 ASSI {  468}
   (( segid "    " and resid 95   and name HN  ))
   (( segid "    " and resid 7    and name HA  ))
      6.000     4.500     0.000 peak   468 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.234 ppm2      4.860 CV     1
 ASSI {  470}
   (( segid "    " and resid 95   and name HN  ))
   (( segid "    " and resid 95   and name HB1 ))
      6.000     4.500     0.000 peak   470 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.233 ppm2      2.518 CV     1
 ASSI {  475}
   (( segid "    " and resid 95   and name HN  ))
   (( segid "    " and resid 8    and name HN  ))
      6.000     4.500     0.000 peak   475 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.230 ppm2      8.769 CV     1
 ASSI {  476}
   (( segid "    " and resid 95   and name HN  ))
   (( segid "    " and resid 8    and name HA1 ))
      6.000     4.500     0.000 peak   476 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.231 ppm2      5.737 CV     1
 ASSI {  479}
   (( segid "    " and resid 95   and name HN  ))
   (( segid "    " and resid 96   and name HG  ))
      6.000     4.500     0.000 peak   479 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.233 ppm2      1.601 CV     1
 ASSI {  481}
   (( segid "    " and resid 95   and name HN  ))
   (  segid "    " and resid 96   and name HD2%)
      6.000     4.500     0.000 peak   481 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.233 ppm2      0.917 CV     1
 OR {  481}
   (( segid "    " and resid 95   and name HN  ))
   (  segid "    " and resid 96   and name HD1%)
 ASSI {  482}
   (( segid "    " and resid 95   and name HN  ))
   (( segid "    " and resid 94   and name HG  ))
      6.000     4.500     0.000 peak   482 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.229 ppm2      0.782 CV     1
 ASSI {  483}
   (( segid "    " and resid 95   and name HN  ))
   (( segid "    " and resid 94   and name HA  ))
      6.000     4.500     0.000 peak   483 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.227 ppm2      5.061 CV     1
 ASSI {  484}
   (( segid "    " and resid 95   and name HN  ))
   (( segid "    " and resid 8    and name HA2 ))
      6.000     4.500     0.000 peak   484 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.223 ppm2      3.722 CV     1
 ASSI {  487}
   (( segid "    " and resid 95   and name HN  ))
   (( segid "    " and resid 94   and name HB1 ))
      6.000     4.500     0.000 peak   487 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.228 ppm2      1.416 CV     1
 ASSI {  489}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 6    and name HN  ))
      6.000     4.500     0.000 peak   489 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.535 ppm2      9.976 CV     1
 ASSI {  497}
   (( segid "    " and resid 97   and name HN  ))
   (( segid "    " and resid 96   and name HB2 ))
      6.000     4.500     0.000 peak   497 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.843 ppm2      2.056 CV     1
 ASSI {  499}
   (( segid "    " and resid 97   and name HN  ))
   (  segid "    " and resid 5    and name HG2%)
      6.000     4.500     0.000 peak   499 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.843 ppm2      0.844 CV     1
 ASSI {  507}
   (( segid "    " and resid 116  and name HN  ))
   (( segid "    " and resid 115  and name HA  ))
      6.000     4.500     0.000 peak   507 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.345 ppm2      4.565 CV     1
 ASSI {  508}
   (( segid "    " and resid 116  and name HN  ))
   (( segid "    " and resid 116  and name HA  ))
      6.000     4.500     0.000 peak   508 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.350 ppm2      4.171 CV     1
 ASSI {  509}
   (( segid "    " and resid 116  and name HN  ))
   (( segid "    " and resid 116  and name HB2 ))
      6.000     4.500     0.000 peak   509 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.347 ppm2      3.045 CV     1
 ASSI {  510}
   (( segid "    " and resid 116  and name HN  ))
   (( segid "    " and resid 115  and name HN  ))
      6.000     4.500     0.000 peak   510 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.337 ppm2      8.693 CV     1
 ASSI {  511}
   (( segid "    " and resid 116  and name HN  ))
   (  segid "    " and resid 116  and name HD% )
      6.000     4.500     0.000 peak   511 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.339 ppm2      6.692 CV     1
 ASSI {  512}
   (( segid "    " and resid 116  and name HN  ))
   (( segid "    " and resid 116  and name HB1 ))
      6.000     4.500     0.000 peak   512 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.341 ppm2      2.940 CV     1
 ASSI {  513}
   (( segid "    " and resid 116  and name HN  ))
   (  segid "    " and resid 112  and name HG2%)
      6.000     4.500     0.000 peak   513 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.343 ppm2      1.436 CV     1
 ASSI {  514}
   (( segid "    " and resid 116  and name HN  ))
   (( segid "    " and resid 117  and name HB1 ))
      6.000     4.500     0.000 peak   514 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.339 ppm2      0.858 CV     1
 ASSI {  519}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 4    and name HA  ))
      6.000     4.500     0.000 peak   519 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.532 ppm2      5.606 CV     1
 ASSI {  521}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 59   and name HA  ))
      6.000     4.500     0.000 peak   521 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.534 ppm2      4.823 CV     1
 ASSI {  522}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 58   and name HB  ))
      6.000     4.500     0.000 peak   522 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.532 ppm2      1.971 CV     1
 ASSI {  523}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 5    and name HB  ))
      6.000     4.500     0.000 peak   523 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.530 ppm2      1.742 CV     1
 ASSI {  524}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 5    and name HG12))
      6.000     4.500     0.000 peak   524 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.529 ppm2      1.532 CV     1
 ASSI {  526}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 5    and name HG11))
      6.000     4.500     0.000 peak   526 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.529 ppm2      1.092 CV     1
 ASSI {  527}
   (( segid "    " and resid 5    and name HN  ))
   (  segid "    " and resid 58   and name HG1%)
      6.000     4.500     0.000 peak   527 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.532 ppm2      0.970 CV     1
 OR {  527}
   (( segid "    " and resid 5    and name HN  ))
   (  segid "    " and resid 58   and name HG2%)
 ASSI {  528}
   (( segid "    " and resid 5    and name HN  ))
   (  segid "    " and resid 5    and name HG2%)
      6.000     4.500     0.000 peak   528 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.530 ppm2      0.837 CV     1
 ASSI {  529}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 58   and name HN  ))
      6.000     4.500     0.000 peak   529 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.524 ppm2      9.152 CV     1
 ASSI {  531}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 4    and name HB1 ))
      6.000     4.500     0.000 peak   531 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.528 ppm2      2.735 CV     1
 OR {  531}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 4    and name HB2 ))
 ASSI {  535}
   (( segid "    " and resid 97   and name HN  ))
   (( segid "    " and resid 6    and name HN  ))
      6.000     4.500     0.000 peak   535 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.845 ppm2      9.969 CV     1
 ASSI {  536}
   (( segid "    " and resid 97   and name HN  ))
   (( segid "    " and resid 96   and name HA  ))
      6.000     4.500     0.000 peak   536 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.842 ppm2      5.453 CV     1
 ASSI {  538}
   (( segid "    " and resid 97   and name HN  ))
   (( segid "    " and resid 97   and name HB1 ))
      6.000     4.500     0.000 peak   538 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.842 ppm2      2.341 CV     1
 ASSI {  540}
   (( segid "    " and resid 97   and name HN  ))
   (  segid "    " and resid 6    and name HB% )
      6.000     4.500     0.000 peak   540 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.844 ppm2      1.757 CV     1
 ASSI {  542}
   (( segid "    " and resid 97   and name HN  ))
   (( segid "    " and resid 96   and name HB1 ))
      6.000     4.500     0.000 peak   542 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.842 ppm2      0.943 CV     1
 OR {  542}
   (( segid "    " and resid 97   and name HN  ))
   (  segid "    " and resid 96   and name HD2%)
 ASSI {  545}
   (( segid "    " and resid 97   and name HN  ))
   (( segid "    " and resid 97   and name HB2 ))
      6.000     4.500     0.000 peak   545 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.836 ppm2      2.525 CV     1
 ASSI {  549}
   (( segid "    " and resid 116  and name HN  ))
   (( segid "    " and resid 115  and name HB2 ))
      6.000     4.500     0.000 peak   549 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.329 ppm2      3.674 CV     1
 ASSI {  555}
   (( segid "    " and resid 112  and name HN  ))
   (( segid "    " and resid 116  and name HN  ))
      6.000     4.500     0.000 peak   555 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.699 ppm2      8.362 CV     1
 ASSI {  559}
   (( segid "    " and resid 112  and name HN  ))
   (( segid "    " and resid 112  and name HB  ))
      6.000     4.500     0.000 peak   559 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.701 ppm2      4.346 CV     1
 ASSI {  562}
   (( segid "    " and resid 112  and name HN  ))
   (( segid "    " and resid 111  and name HA  ))
      6.000     4.500     0.000 peak   562 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.699 ppm2      3.895 CV     1
 ASSI {  563}
   (( segid "    " and resid 112  and name HN  ))
   (  segid "    " and resid 112  and name HG2%)
      6.000     4.500     0.000 peak   563 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.700 ppm2      1.436 CV     1
 ASSI {  564}
   (( segid "    " and resid 112  and name HN  ))
   (( segid "    " and resid 111  and name HB2 ))
      6.000     4.500     0.000 peak   564 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.704 ppm2      1.308 CV     1
 ASSI {  565}
   (( segid "    " and resid 112  and name HN  ))
   (  segid "    " and resid 113  and name HG2%)
      6.000     4.500     0.000 peak   565 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.703 ppm2      1.170 CV     1
 ASSI {  566}
   (( segid "    " and resid 112  and name HN  ))
   (( segid "    " and resid 111  and name HG  ))
      6.000     4.500     0.000 peak   566 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.701 ppm2      1.024 CV     1
 ASSI {  567}
   (( segid "    " and resid 112  and name HN  ))
   (( segid "    " and resid 111  and name HB1 ))
      6.000     4.500     0.000 peak   567 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.700 ppm2      0.888 CV     1
 ASSI {  569}
   (( segid "    " and resid 112  and name HN  ))
   (  segid "    " and resid 111  and name HD1%)
      6.000     4.500     0.000 peak   569 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.700 ppm2      0.345 CV     1
 ASSI {  574}
   (( segid "    " and resid 137  and name HN  ))
   (( segid "    " and resid 141  and name HN  ))
      6.000     4.500     0.000 peak   574 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.225 ppm2      7.995 CV     1
 ASSI {  575}
   (( segid "    " and resid 137  and name HN  ))
   (( segid "    " and resid 139  and name HN  ))
      6.000     4.500     0.000 peak   575 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.219 ppm2      7.470 CV     1
 ASSI {  579}
   (( segid "    " and resid 137  and name HN  ))
   (( segid "    " and resid 142  and name HA  ))
      6.000     4.500     0.000 peak   579 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.224 ppm2      4.800 CV     1
 ASSI {  580}
   (( segid "    " and resid 137  and name HN  ))
   (( segid "    " and resid 136  and name HA  ))
      6.000     4.500     0.000 peak   580 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.223 ppm2      4.506 CV     1
 ASSI {  581}
   (( segid "    " and resid 137  and name HN  ))
   (( segid "    " and resid 137  and name HA  ))
      6.000     4.500     0.000 peak   581 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.225 ppm2      4.305 CV     1
 ASSI {  582}
   (( segid "    " and resid 137  and name HN  ))
   (( segid "    " and resid 138  and name HD1 ))
      6.000     4.500     0.000 peak   582 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.223 ppm2      4.026 CV     1
 OR {  582}
   (( segid "    " and resid 137  and name HN  ))
   (( segid "    " and resid 138  and name HD2 ))
 ASSI {  585}
   (( segid "    " and resid 137  and name HN  ))
   (( segid "    " and resid 140  and name HA1 ))
      6.000     4.500     0.000 peak   585 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.216 ppm2      3.521 CV     1
 ASSI {  586}
   (( segid "    " and resid 137  and name HN  ))
   (( segid "    " and resid 137  and name HB2 ))
      6.000     4.500     0.000 peak   586 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.222 ppm2      3.354 CV     1
 ASSI {  587}
   (( segid "    " and resid 137  and name HN  ))
   (( segid "    " and resid 137  and name HB1 ))
      6.000     4.500     0.000 peak   587 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.222 ppm2      3.242 CV     1
 ASSI {  588}
   (( segid "    " and resid 137  and name HN  ))
   (( segid "    " and resid 142  and name HG1 ))
      6.000     4.500     0.000 peak   588 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.226 ppm2      2.654 CV     1
 ASSI {  590}
   (( segid "    " and resid 137  and name HN  ))
   (( segid "    " and resid 136  and name HB  ))
      6.000     4.500     0.000 peak   590 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.222 ppm2      1.955 CV     1
 ASSI {  591}
   (( segid "    " and resid 137  and name HN  ))
   (( segid "    " and resid 135  and name HG  ))
      6.000     4.500     0.000 peak   591 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.220 ppm2      1.211 CV     1
 ASSI {  592}
   (( segid "    " and resid 137  and name HN  ))
   (  segid "    " and resid 136  and name HG1%)
      6.000     4.500     0.000 peak   592 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.224 ppm2      1.025 CV     1
 OR {  592}
   (( segid "    " and resid 137  and name HN  ))
   (  segid "    " and resid 136  and name HG2%)
 ASSI {  594}
   (( segid "    " and resid 137  and name HN  ))
   (  segid "    " and resid 135  and name HD2%)
      6.000     4.500     0.000 peak   594 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.222 ppm2      0.081 CV     1
 ASSI {  603}
   (( segid "    " and resid 137  and name HN  ))
   (( segid "    " and resid 142  and name HG2 ))
      6.000     4.500     0.000 peak   603 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.224 ppm2      2.785 CV     1
 ASSI {  615}
   (( segid "    " and resid 115  and name HN  ))
   (( segid "    " and resid 114  and name HA  ))
      6.000     4.500     0.000 peak   615 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.682 ppm2      5.426 CV     1
 ASSI {  617}
   (( segid "    " and resid 115  and name HN  ))
   (( segid "    " and resid 113  and name HA  ))
      6.000     4.500     0.000 peak   617 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.683 ppm2      4.319 CV     1
 ASSI {  618}
   (( segid "    " and resid 115  and name HN  ))
   (( segid "    " and resid 115  and name HB2 ))
      6.000     4.500     0.000 peak   618 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.686 ppm2      3.687 CV     1
 ASSI {  619}
   (( segid "    " and resid 115  and name HN  ))
   (( segid "    " and resid 115  and name HB1 ))
      6.000     4.500     0.000 peak   619 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.684 ppm2      3.000 CV     1
 ASSI {  621}
   (( segid "    " and resid 115  and name HN  ))
   (( segid "    " and resid 114  and name HG2 ))
      6.000     4.500     0.000 peak   621 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.686 ppm2      2.455 CV     1
 ASSI {  622}
   (( segid "    " and resid 115  and name HN  ))
   (( segid "    " and resid 114  and name HB1 ))
      6.000     4.500     0.000 peak   622 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.684 ppm2      2.099 CV     1
 ASSI {  624}
   (( segid "    " and resid 115  and name HN  ))
   (( segid "    " and resid 138  and name HB1 ))
      6.000     4.500     0.000 peak   624 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.686 ppm2      1.859 CV     1
 ASSI {  627}
   (( segid "    " and resid 115  and name HN  ))
   (  segid "    " and resid 113  and name HG1%)
      6.000     4.500     0.000 peak   627 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.684 ppm2      0.858 CV     1
 ASSI {  630}
   (( segid "    " and resid 115  and name HN  ))
   (( segid "    " and resid 116  and name HA  ))
      6.000     4.500     0.000 peak   630 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.676 ppm2      4.194 CV     1
 ASSI {  631}
   (( segid "    " and resid 115  and name HN  ))
   (( segid "    " and resid 114  and name HB2 ))
      6.000     4.500     0.000 peak   631 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.679 ppm2      2.839 CV     1
 ASSI {  633}
   (( segid "    " and resid 85   and name HN  ))
   (( segid "    " and resid 84   and name HN  ))
      6.000     4.500     0.000 peak   633 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.346 ppm2      8.701 CV     1
 ASSI {  637}
   (( segid "    " and resid 115  and name HN  ))
   (  segid "    " and resid 100  and name HD2%)
      6.000     4.500     0.000 peak   637 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.689 ppm2      0.654 CV     1
 ASSI {  639}
   (( segid "    " and resid 85   and name HN  ))
   (( segid "    " and resid 84   and name HA  ))
      6.000     4.500     0.000 peak   639 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.339 ppm2      4.331 CV     1
 ASSI {  640}
   (( segid "    " and resid 85   and name HN  ))
   (( segid "    " and resid 85   and name HB1 ))
      6.000     4.500     0.000 peak   640 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.338 ppm2      1.651 CV     1
 ASSI {  641}
   (( segid "    " and resid 85   and name HN  ))
   (( segid "    " and resid 85   and name HB2 ))
      6.000     4.500     0.000 peak   641 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.328 ppm2      1.801 CV     1
 ASSI {  642}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 37   and name HN  ))
      6.000     4.500     0.000 peak   642 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.299 ppm2      9.193 CV     1
 ASSI {  647}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 35   and name HN  ))
      6.000     4.500     0.000 peak   647 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.295 ppm2      7.353 CV     1
 ASSI {  648}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 58   and name HA  ))
      6.000     4.500     0.000 peak   648 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.297 ppm2      4.947 CV     1
 ASSI {  649}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 35   and name HA  ))
      6.000     4.500     0.000 peak   649 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.296 ppm2      4.600 CV     1
 ASSI {  650}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 131  and name HA  ))
      6.000     4.500     0.000 peak   650 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.297 ppm2      4.491 CV     1
 ASSI {  651}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 11   and name HA  ))
      6.000     4.500     0.000 peak   651 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.298 ppm2      4.245 CV     1
 ASSI {  652}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 35   and name HB  ))
      6.000     4.500     0.000 peak   652 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.298 ppm2      4.106 CV     1
 ASSI {  655}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 36   and name HB  ))
      6.000     4.500     0.000 peak   655 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.295 ppm2      1.949 CV     1
 ASSI {  657}
   (( segid "    " and resid 36   and name HN  ))
   (  segid "    " and resid 36   and name HG2%)
      6.000     4.500     0.000 peak   657 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.298 ppm2      1.318 CV     1
 ASSI {  659}
   (( segid "    " and resid 36   and name HN  ))
   (  segid "    " and resid 36   and name HG1%)
      6.000     4.500     0.000 peak   659 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.296 ppm2      1.096 CV     1
 ASSI {  662}
   (( segid "    " and resid 36   and name HN  ))
   (  segid "    " and resid 33   and name HG2%)
      6.000     4.500     0.000 peak   662 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.295 ppm2      0.786 CV     1
 ASSI {  669}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 26   and name HN  ))
      6.000     4.500     0.000 peak   669 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.130 ppm2      7.589 CV     1
 ASSI {  673}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 29   and name HD1 ))
      6.000     4.500     0.000 peak   673 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.126 ppm2      2.736 CV     1
 ASSI {  682}
   (( segid "    " and resid 153  and name HN  ))
   (( segid "    " and resid 154  and name HN  ))
      6.000     4.500     0.000 peak   682 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.805 ppm2      8.389 CV     1
 ASSI {  684}
   (( segid "    " and resid 153  and name HN  ))
   (( segid "    " and resid 152  and name HN  ))
      6.000     4.500     0.000 peak   684 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.805 ppm2      7.241 CV     1
 ASSI {  688}
   (( segid "    " and resid 153  and name HN  ))
   (( segid "    " and resid 152  and name HA  ))
      6.000     4.500     0.000 peak   688 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.804 ppm2      4.624 CV     1
 ASSI {  690}
   (( segid "    " and resid 153  and name HN  ))
   (( segid "    " and resid 152  and name HB2 ))
      6.000     4.500     0.000 peak   690 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.803 ppm2      3.400 CV     1
 ASSI {  691}
   (( segid "    " and resid 153  and name HN  ))
   (( segid "    " and resid 154  and name HA  ))
      6.000     4.500     0.000 peak   691 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.807 ppm2      2.992 CV     1
 ASSI {  692}
   (( segid "    " and resid 153  and name HN  ))
   (( segid "    " and resid 153  and name HB2 ))
      6.000     4.500     0.000 peak   692 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.804 ppm2      2.737 CV     1
 ASSI {  693}
   (( segid "    " and resid 153  and name HN  ))
   (( segid "    " and resid 153  and name HB1 ))
      6.000     4.500     0.000 peak   693 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.804 ppm2      2.600 CV     1
 ASSI {  694}
   (( segid "    " and resid 153  and name HN  ))
   (( segid "    " and resid 154  and name HB2 ))
      6.000     4.500     0.000 peak   694 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.804 ppm2      1.361 CV     1
 OR {  694}
   (( segid "    " and resid 153  and name HN  ))
   (( segid "    " and resid 154  and name HB1 ))
 ASSI {  696}
   (( segid "    " and resid 153  and name HN  ))
   (( segid "    " and resid 155  and name HG  ))
      6.000     4.500     0.000 peak   696 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.799 ppm2      0.890 CV     1
 ASSI {  700}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 9    and name HN  ))
      6.000     4.500     0.000 peak   700 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.287 ppm2      8.545 CV     1
 ASSI {  703}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 9    and name HB2 ))
      6.000     4.500     0.000 peak   703 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.274 ppm2      3.667 CV     1
 ASSI {  708}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 27   and name HN  ))
      6.000     4.500     0.000 peak   708 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.128 ppm2      7.314 CV     1
 ASSI {  710}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 27   and name HA  ))
      6.000     4.500     0.000 peak   710 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.129 ppm2      4.915 CV     1
 ASSI {  711}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 24   and name HA  ))
      6.000     4.500     0.000 peak   711 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.126 ppm2      4.172 CV     1
 ASSI {  713}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 28   and name HA  ))
      6.000     4.500     0.000 peak   713 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.127 ppm2      3.751 CV     1
 ASSI {  714}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 29   and name HD2 ))
      6.000     4.500     0.000 peak   714 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.128 ppm2      3.643 CV     1
 ASSI {  716}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 27   and name HB2 ))
      6.000     4.500     0.000 peak   716 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.127 ppm2      2.918 CV     1
 ASSI {  717}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 27   and name HB1 ))
      6.000     4.500     0.000 peak   717 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.126 ppm2      2.598 CV     1
 ASSI {  719}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 28   and name HG11))
      6.000     4.500     0.000 peak   719 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.127 ppm2      2.076 CV     1
 OR {  719}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 28   and name HG12))
 ASSI {  720}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 28   and name HB  ))
      6.000     4.500     0.000 peak   720 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.127 ppm2      1.537 CV     1
 ASSI {  722}
   (( segid "    " and resid 28   and name HN  ))
   (  segid "    " and resid 28   and name HD1%)
      6.000     4.500     0.000 peak   722 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.128 ppm2      0.781 CV     1
 ASSI {  723}
   (( segid "    " and resid 28   and name HN  ))
   (  segid "    " and resid 28   and name HG2%)
      6.000     4.500     0.000 peak   723 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.128 ppm2      0.605 CV     1
 ASSI {  730}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 32   and name HB2 ))
      6.000     4.500     0.000 peak   730 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.177 ppm2      3.333 CV     1
 ASSI {  736}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 32   and name HA  ))
      6.000     4.500     0.000 peak   736 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.174 ppm2      4.910 CV     1
 ASSI {  737}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 32   and name HB1 ))
      6.000     4.500     0.000 peak   737 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.175 ppm2      3.131 CV     1
 ASSI {  738}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 33   and name HB  ))
      6.000     4.500     0.000 peak   738 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.175 ppm2      1.766 CV     1
 ASSI {  739}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 33   and name HG11))
      6.000     4.500     0.000 peak   739 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.175 ppm2      1.573 CV     1
 OR {  739}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 33   and name HG12))
 ASSI {  742}
   (( segid "    " and resid 33   and name HN  ))
   (  segid "    " and resid 33   and name HG2%)
      6.000     4.500     0.000 peak   742 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.175 ppm2      0.771 CV     1
 ASSI {  752}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 54   and name HB1 ))
      6.000     4.500     0.000 peak   752 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.688 ppm2      0.631 CV     1
 ASSI {  757}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 21   and name HN  ))
      6.000     4.500     0.000 peak   757 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.196 ppm2      8.584 CV     1
 ASSI {  765}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 17   and name HB2 ))
      6.000     4.500     0.000 peak   765 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.194 ppm2      1.989 CV     1
 ASSI {  772}
   (( segid "    " and resid 20   and name HN  ))
   (  segid "    " and resid 18   and name HG2%)
      6.000     4.500     0.000 peak   772 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.194 ppm2      0.660 CV     1
 ASSI {  777}
   (( segid "    " and resid 41   and name HN  ))
   (  segid "    " and resid 40   and name HD% )
      6.000     4.500     0.000 peak   777 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.937 ppm2      7.143 CV     1
 ASSI {  779}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 41   and name HA  ))
      6.000     4.500     0.000 peak   779 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.937 ppm2      5.758 CV     1
 ASSI {  781}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 40   and name HA  ))
      6.000     4.500     0.000 peak   781 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.935 ppm2      5.159 CV     1
 ASSI {  782}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 156  and name HA  ))
      6.000     4.500     0.000 peak   782 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.940 ppm2      4.830 CV     1
 ASSI {  783}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 157  and name HA  ))
      6.000     4.500     0.000 peak   783 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.935 ppm2      4.472 CV     1
 ASSI {  786}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 41   and name HB1 ))
      6.000     4.500     0.000 peak   786 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.933 ppm2      1.683 CV     1
 OR {  786}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 41   and name HB2 ))
 ASSI {  788}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 41   and name HG1 ))
      6.000     4.500     0.000 peak   788 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.935 ppm2      1.146 CV     1
 ASSI {  790}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 158  and name HA  ))
      6.000     4.500     0.000 peak   790 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.924 ppm2      3.880 CV     1
 ASSI {  791}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 157  and name HB2 ))
      6.000     4.500     0.000 peak   791 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.927 ppm2      1.975 CV     1
 ASSI {  795}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 23   and name HN  ))
      6.000     4.500     0.000 peak   795 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.598 ppm2      7.745 CV     1
 ASSI {  797}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 20   and name HA  ))
      6.000     4.500     0.000 peak   797 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.595 ppm2      4.186 CV     1
 ASSI {  798}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 21   and name HA  ))
      6.000     4.500     0.000 peak   798 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.597 ppm2      3.968 CV     1
 ASSI {  799}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 18   and name HA  ))
      6.000     4.500     0.000 peak   799 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.598 ppm2      3.333 CV     1
 ASSI {  800}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 19   and name HB2 ))
      6.000     4.500     0.000 peak   800 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.599 ppm2      2.869 CV     1
 ASSI {  804}
   (( segid "    " and resid 21   and name HN  ))
   (  segid "    " and resid 21   and name HB% )
      6.000     4.500     0.000 peak   804 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.597 ppm2      1.469 CV     1
 ASSI {  808}
   (( segid "    " and resid 117  and name HN  ))
   (( segid "    " and resid 117  and name HB2 ))
      6.000     4.500     0.000 peak   808 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.312 ppm2      1.593 CV     1
 ASSI {  809}
   (( segid "    " and resid 117  and name HN  ))
   (( segid "    " and resid 117  and name HB1 ))
      6.000     4.500     0.000 peak   809 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.308 ppm2      0.859 CV     1
 ASSI {  810}
   (( segid "    " and resid 117  and name HN  ))
   (( segid "    " and resid 118  and name HB2 ))
      6.000     4.500     0.000 peak   810 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.302 ppm2      1.970 CV     1
 ASSI {  813}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 19   and name HN  ))
      6.000     4.500     0.000 peak   813 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.196 ppm2      8.438 CV     1
 ASSI {  814}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 19   and name HD21))
      6.000     4.500     0.000 peak   814 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.195 ppm2      7.387 CV     1
 ASSI {  815}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 20   and name HA  ))
      6.000     4.500     0.000 peak   815 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.196 ppm2      4.190 CV     1
 ASSI {  817}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 18   and name HA  ))
      6.000     4.500     0.000 peak   817 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.198 ppm2      3.329 CV     1
 ASSI {  818}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 19   and name HB2 ))
      6.000     4.500     0.000 peak   818 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.195 ppm2      2.886 CV     1
 ASSI {  819}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 19   and name HB1 ))
      6.000     4.500     0.000 peak   819 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.195 ppm2      2.679 CV     1
 ASSI {  821}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 22   and name HB2 ))
      6.000     4.500     0.000 peak   821 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.198 ppm2      2.084 CV     1
 ASSI {  823}
   (( segid "    " and resid 20   and name HN  ))
   (  segid "    " and resid 20   and name HB% )
      6.000     4.500     0.000 peak   823 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.195 ppm2      1.530 CV     1
 ASSI {  824}
   (( segid "    " and resid 20   and name HN  ))
   (  segid "    " and resid 18   and name HG1%)
      6.000     4.500     0.000 peak   824 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.198 ppm2      0.311 CV     1
 ASSI {  831}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 22   and name HB2 ))
      6.000     4.500     0.000 peak   831 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.597 ppm2      2.102 CV     1
 ASSI {  832}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 22   and name HG  ))
      6.000     4.500     0.000 peak   832 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.593 ppm2      1.879 CV     1
 ASSI {  834}
   (( segid "    " and resid 21   and name HN  ))
   (  segid "    " and resid 18   and name HG1%)
      6.000     4.500     0.000 peak   834 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.602 ppm2      0.294 CV     1
 ASSI {  836}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 65   and name HN  ))
      6.000     4.500     0.000 peak   836 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.543 ppm2      8.386 CV     1
 ASSI {  837}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 63   and name HN  ))
      6.000     4.500     0.000 peak   837 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.546 ppm2      8.233 CV     1
 ASSI {  840}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 62   and name HA  ))
      6.000     4.500     0.000 peak   840 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.545 ppm2      5.503 CV     1
 ASSI {  841}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 63   and name HA  ))
      6.000     4.500     0.000 peak   841 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.546 ppm2      4.974 CV     1
 ASSI {  844}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 64   and name HA  ))
      6.000     4.500     0.000 peak   844 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.548 ppm2      4.221 CV     1
 ASSI {  845}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 63   and name HB2 ))
      6.000     4.500     0.000 peak   845 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.548 ppm2      4.062 CV     1
 OR {  845}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 63   and name HB1 ))
 ASSI {  846}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 62   and name HB  ))
      6.000     4.500     0.000 peak   846 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.546 ppm2      3.808 CV     1
 ASSI {  848}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 31   and name HB1 ))
      6.000     4.500     0.000 peak   848 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.545 ppm2      3.598 CV     1
 ASSI {  850}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 68   and name HB2 ))
      6.000     4.500     0.000 peak   850 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.547 ppm2      2.160 CV     1
 ASSI {  851}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 30   and name HB1 ))
      6.000     4.500     0.000 peak   851 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.550 ppm2      2.016 CV     1
 ASSI {  852}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 64   and name HB2 ))
      6.000     4.500     0.000 peak   852 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.546 ppm2      1.740 CV     1
 ASSI {  853}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 64   and name HB1 ))
      6.000     4.500     0.000 peak   853 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.546 ppm2      1.484 CV     1
 ASSI {  854}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 69   and name HB1 ))
      6.000     4.500     0.000 peak   854 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.546 ppm2      1.274 CV     1
 ASSI {  855}
   (( segid "    " and resid 64   and name HN  ))
   (  segid "    " and resid 62   and name HG2%)
      6.000     4.500     0.000 peak   855 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.547 ppm2      1.087 CV     1
 ASSI {  856}
   (( segid "    " and resid 64   and name HN  ))
   (  segid "    " and resid 69   and name HD1%)
      6.000     4.500     0.000 peak   856 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.545 ppm2      0.944 CV     1
 OR {  856}
   (( segid "    " and resid 64   and name HN  ))
   (  segid "    " and resid 69   and name HD2%)
 ASSI {  857}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 64   and name HG  ))
      6.000     4.500     0.000 peak   857 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.545 ppm2      0.737 CV     1
 OR {  857}
   (( segid "    " and resid 64   and name HN  ))
   (  segid "    " and resid 64   and name HD2%)
 OR {  857}
   (( segid "    " and resid 64   and name HN  ))
   (  segid "    " and resid 64   and name HD1%)
 ASSI {  861}
   (( segid "    " and resid 117  and name HN  ))
   (( segid "    " and resid 118  and name HA  ))
      6.000     4.500     0.000 peak   861 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.319 ppm2      3.832 CV     1
 ASSI {  864}
   (( segid "    " and resid 117  and name HN  ))
   (( segid "    " and resid 118  and name HN  ))
      6.000     4.500     0.000 peak   864 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.308 ppm2      7.544 CV     1
 ASSI {  871}
   (( segid "    " and resid 117  and name HN  ))
   (( segid "    " and resid 117  and name HA  ))
      6.000     4.500     0.000 peak   871 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.309 ppm2      5.030 CV     1
 ASSI {  872}
   (( segid "    " and resid 117  and name HN  ))
   (( segid "    " and resid 118  and name HG2 ))
      6.000     4.500     0.000 peak   872 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.309 ppm2      3.281 CV     1
 ASSI {  874}
   (( segid "    " and resid 117  and name HN  ))
   (( segid "    " and resid 115  and name HB1 ))
      6.000     4.500     0.000 peak   874 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.311 ppm2      2.967 CV     1
 ASSI {  875}
   (( segid "    " and resid 117  and name HN  ))
   (( segid "    " and resid 118  and name HG1 ))
      6.000     4.500     0.000 peak   875 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.311 ppm2      2.145 CV     1
 ASSI {  878}
   (( segid "    " and resid 117  and name HN  ))
   (( segid "    " and resid 116  and name HA  ))
      6.000     4.500     0.000 peak   878 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.301 ppm2      4.172 CV     1
 ASSI {  881}
   (( segid "    " and resid 142  and name HN  ))
   (( segid "    " and resid 141  and name HN  ))
      6.000     4.500     0.000 peak   881 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.269 ppm2      7.979 CV     1
 ASSI {  882}
   (( segid "    " and resid 142  and name HN  ))
   (( 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      9.268 ppm2      6.732 CV     1
 ASSI {  883}
   (( segid "    " and resid 142  and name HN  ))
   (( segid "    " and resid 142  and name HA  ))
      6.000     4.500     0.000 peak   883 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.270 ppm2      4.810 CV     1
 ASSI {  884}
   (( segid "    " and resid 142  and name HN  ))
   (( segid "    " and resid 140  and name HA2 ))
      6.000     4.500     0.000 peak   884 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.269 ppm2      4.422 CV     1
 ASSI {  885}
   (( segid "    " and resid 142  and name HN  ))
   (( segid "    " and resid 141  and name HA  ))
      6.000     4.500     0.000 peak   885 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.269 ppm2      4.284 CV     1
 ASSI {  886}
   (( segid "    " and resid 142  and name HN  ))
   (( segid "    " and resid 143  and name HA  ))
      6.000     4.500     0.000 peak   886 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.269 ppm2      4.062 CV     1
 ASSI {  887}
   (( segid "    " and resid 142  and name HN  ))
   (( segid "    " and resid 142  and name HG2 ))
      6.000     4.500     0.000 peak   887 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.269 ppm2      2.810 CV     1
 ASSI {  890}
   (( segid "    " and resid 142  and name HN  ))
   (( segid "    " and resid 141  and name HB2 ))
      6.000     4.500     0.000 peak   890 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.269 ppm2      1.867 CV     1
 ASSI {  891}
   (( segid "    " and resid 142  and name HN  ))
   (( segid "    " and resid 141  and name HB1 ))
      6.000     4.500     0.000 peak   891 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.268 ppm2      1.761 CV     1
 ASSI {  893}
   (( segid "    " and resid 142  and name HN  ))
   (  segid "    " and resid 136  and name HG1%)
      6.000     4.500     0.000 peak   893 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.269 ppm2      1.023 CV     1
 OR {  893}
   (( segid "    " and resid 142  and name HN  ))
   (  segid "    " and resid 136  and name HG2%)
 ASSI {  894}
   (( segid "    " and resid 142  and name HN  ))
   (  segid "    " and resid 146  and name HD1%)
      6.000     4.500     0.000 peak   894 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.269 ppm2      0.474 CV     1
 ASSI {  897}
   (( segid "    " and resid 142  and name HN  ))
   (( segid "    " and resid 146  and name HN  ))
      6.000     4.500     0.000 peak   897 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.264 ppm2      7.869 CV     1
 ASSI {  900}
   (( segid "    " and resid 142  and name HN  ))
   (( segid "    " and resid 142  and name HG1 ))
      6.000     4.500     0.000 peak   900 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.265 ppm2      2.659 CV     1
 ASSI {  901}
   (( segid "    " and resid 142  and name HN  ))
   (( segid "    " and resid 145  and name HG2 ))
      6.000     4.500     0.000 peak   901 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.266 ppm2      2.491 CV     1
 OR {  901}
   (( segid "    " and resid 142  and name HN  ))
   (( segid "    " and resid 145  and name HG1 ))
 ASSI {  904}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 62   and name HN  ))
      6.000     4.500     0.000 peak   904 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.553 ppm2      9.210 CV     1
 ASSI {  905}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 11   and name HA  ))
      6.000     4.500     0.000 peak   905 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.263 ppm2      4.242 CV     1
 ASSI {  908}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 11   and name HB1 ))
      6.000     4.500     0.000 peak   908 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.260 ppm2      1.273 CV     1
 OR {  908}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 11   and name HB2 ))
 ASSI {  910}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 11   and name HG  ))
      6.000     4.500     0.000 peak   910 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.259 ppm2      0.881 CV     1
 ASSI {  914}
   (( segid "    " and resid 40   and name HN  ))
   (  segid "    " and resid 40   and name HD% )
      6.000     4.500     0.000 peak   914 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.404 ppm2      7.102 CV     1
 ASSI {  915}
   (( segid "    " and resid 40   and name HN  ))
   (  segid "    " and resid 39   and name HD% )
      6.000     4.500     0.000 peak   915 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.396 ppm2      6.987 CV     1
 ASSI {  916}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 39   and name HB2 ))
      6.000     4.500     0.000 peak   916 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.389 ppm2      3.311 CV     1
 ASSI {  917}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 57   and name HN  ))
      6.000     4.500     0.000 peak   917 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.209 ppm2      9.471 CV     1
 ASSI {  918}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 59   and name HN  ))
      6.000     4.500     0.000 peak   918 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.207 ppm2      8.600 CV     1
 ASSI {  920}
   (( segid "    " and resid 37   and name HN  ))
   (  segid "    " and resid 39   and name HD% )
      6.000     4.500     0.000 peak   920 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.211 ppm2      6.978 CV     1
 ASSI {  922}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 37   and name HA  ))
      6.000     4.500     0.000 peak   922 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.211 ppm2      5.057 CV     1
 ASSI {  924}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 36   and name HA  ))
      6.000     4.500     0.000 peak   924 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.209 ppm2      4.799 CV     1
 ASSI {  926}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 38   and name HA  ))
      6.000     4.500     0.000 peak   926 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.211 ppm2      4.252 CV     1
 ASSI {  927}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 37   and name HB1 ))
      6.000     4.500     0.000 peak   927 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.206 ppm2      4.048 CV     1
 OR {  927}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 37   and name HB2 ))
 ASSI {  929}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 127  and name HB2 ))
      6.000     4.500     0.000 peak   929 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.211 ppm2      2.596 CV     1
 ASSI {  933}
   (( segid "    " and resid 37   and name HN  ))
   (  segid "    " and resid 36   and name HG1%)
      6.000     4.500     0.000 peak   933 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.206 ppm2      1.101 CV     1
 ASSI {  934}
   (( segid "    " and resid 37   and name HN  ))
   (  segid "    " and resid 58   and name HG2%)
      6.000     4.500     0.000 peak   934 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.208 ppm2      0.964 CV     1
 OR {  934}
   (( segid "    " and resid 37   and name HN  ))
   (  segid "    " and resid 58   and name HG1%)
 ASSI {  946}
   (( segid "    " and resid 42   and name HN  ))
   (  segid "    " and resid 42   and name HG2%)
      6.000     4.500     0.000 peak   946 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.599 ppm2      1.227 CV     1
 ASSI {  947}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 41   and name HB2 ))
      6.000     4.500     0.000 peak   947 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.590 ppm2      1.690 CV     1
 OR {  947}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 41   and name HB1 ))
 ASSI {  950}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 39   and name HA  ))
      6.000     4.500     0.000 peak   950 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.490 ppm2      5.395 CV     1
 ASSI {  951}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 56   and name HA  ))
      6.000     4.500     0.000 peak   951 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.490 ppm2      4.950 CV     1
 ASSI {  952}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 36   and name HA  ))
      6.000     4.500     0.000 peak   952 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.491 ppm2      4.811 CV     1
 ASSI {  953}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 127  and name HA  ))
      6.000     4.500     0.000 peak   953 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.491 ppm2      4.447 CV     1
 ASSI {  958}
   (( segid "    " and resid 57   and name HN  ))
   (  segid "    " and resid 39   and name HD% )
      6.000     4.500     0.000 peak   958 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.485 ppm2      6.974 CV     1
 ASSI {  961}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 57   and name HA  ))
      6.000     4.500     0.000 peak   961 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.483 ppm2      5.673 CV     1
 ASSI {  963}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 37   and name HB1 ))
      6.000     4.500     0.000 peak   963 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.482 ppm2      4.066 CV     1
 OR {  963}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 37   and name HB2 ))
 ASSI {  964}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 128  and name HA  ))
      6.000     4.500     0.000 peak   964 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.484 ppm2      3.831 CV     1
 ASSI {  965}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 127  and name HB2 ))
      6.000     4.500     0.000 peak   965 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.484 ppm2      2.626 CV     1
 ASSI {  967}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 131  and name HG12))
      6.000     4.500     0.000 peak   967 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.478 ppm2      1.602 CV     1
 ASSI {  968}
   (( segid "    " and resid 57   and name HN  ))
   (  segid "    " and resid 56   and name HB% )
      6.000     4.500     0.000 peak   968 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.485 ppm2      1.456 CV     1
 ASSI {  969}
   (( segid "    " and resid 57   and name HN  ))
   (  segid "    " and resid 57   and name HB% )
      6.000     4.500     0.000 peak   969 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.486 ppm2      1.340 CV     1
 ASSI {  970}
   (( segid "    " and resid 57   and name HN  ))
   (  segid "    " and resid 36   and name HG1%)
      6.000     4.500     0.000 peak   970 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.483 ppm2      1.098 CV     1
 ASSI {  971}
   (( segid "    " and resid 57   and name HN  ))
   (  segid "    " and resid 58   and name HG2%)
      6.000     4.500     0.000 peak   971 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.486 ppm2      0.988 CV     1
 OR {  971}
   (( segid "    " and resid 57   and name HN  ))
   (  segid "    " and resid 58   and name HG1%)
 ASSI {  986}
   (( segid "    " and resid 40   and name HN  ))
   (  segid "    " and resid 54   and name HD2%)
      6.000     4.500     0.000 peak   986 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.409 ppm2     -0.528 CV     1
 ASSI {  987}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 55   and name HN  ))
      6.000     4.500     0.000 peak   987 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.394 ppm2      9.155 CV     1
 ASSI {  989}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 39   and name HA  ))
      6.000     4.500     0.000 peak   989 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.390 ppm2      5.373 CV     1
 ASSI {  990}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 158  and name HB2 ))
      6.000     4.500     0.000 peak   990 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.393 ppm2      3.110 CV     1
 ASSI {  996}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 56   and name HA  ))
      6.000     4.500     0.000 peak   996 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.378 ppm2      4.925 CV     1
 ASSI { 1005}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 54   and name HN  ))
      6.000     4.500     0.000 peak  1005 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.152 ppm2      8.699 CV     1
 ASSI { 1008}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 54   and name HA  ))
      6.000     4.500     0.000 peak  1008 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.152 ppm2      5.362 CV     1
 ASSI { 1009}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 40   and name HA  ))
      6.000     4.500     0.000 peak  1009 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.152 ppm2      5.169 CV     1
 ASSI { 1011}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 39   and name HB2 ))
      6.000     4.500     0.000 peak  1011 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.156 ppm2      3.305 CV     1
 ASSI { 1012}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 55   and name HB1 ))
      6.000     4.500     0.000 peak  1012 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.154 ppm2      3.146 CV     1
 ASSI { 1013}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 55   and name HB2 ))
      6.000     4.500     0.000 peak  1013 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.152 ppm2      2.403 CV     1
 ASSI { 1014}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 54   and name HG  ))
      6.000     4.500     0.000 peak  1014 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.151 ppm2      1.128 CV     1
 ASSI { 1015}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 54   and name HB2 ))
      6.000     4.500     0.000 peak  1015 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.152 ppm2      0.943 CV     1
 ASSI { 1016}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 54   and name HB1 ))
      6.000     4.500     0.000 peak  1016 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.155 ppm2      0.630 CV     1
 ASSI { 1017}
   (( segid "    " and resid 55   and name HN  ))
   (  segid "    " and resid 54   and name HD1%)
      6.000     4.500     0.000 peak  1017 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.155 ppm2      0.176 CV     1
 ASSI { 1020}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 55   and name HA  ))
      6.000     4.500     0.000 peak  1020 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.146 ppm2      6.130 CV     1
 ASSI { 1021}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 41   and name HA  ))
      6.000     4.500     0.000 peak  1021 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.144 ppm2      5.771 CV     1
 ASSI { 1023}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 41   and name HB2 ))
      6.000     4.500     0.000 peak  1023 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.143 ppm2      1.666 CV     1
 OR { 1023}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 41   and name HB1 ))
 ASSI { 1024}
   (( segid "    " and resid 55   and name HN  ))
   (  segid "    " and resid 54   and name HD2%)
      6.000     4.500     0.000 peak  1024 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.150 ppm2     -0.519 CV     1
 ASSI { 1033}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 68   and name HN  ))
      6.000     4.500     0.000 peak  1033 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.375 ppm2      6.868 CV     1
 ASSI { 1034}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 64   and name HA  ))
      6.000     4.500     0.000 peak  1034 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.376 ppm2      4.224 CV     1
 ASSI { 1036}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 66   and name HD2 ))
      6.000     4.500     0.000 peak  1036 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.375 ppm2      3.627 CV     1
 ASSI { 1037}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 66   and name HD1 ))
      6.000     4.500     0.000 peak  1037 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.376 ppm2      3.398 CV     1
 ASSI { 1038}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 68   and name HG1 ))
      6.000     4.500     0.000 peak  1038 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.376 ppm2      2.393 CV     1
 OR { 1038}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 68   and name HG2 ))
 ASSI { 1039}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 68   and name HB1 ))
      6.000     4.500     0.000 peak  1039 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.375 ppm2      2.264 CV     1
 ASSI { 1042}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 64   and name HB2 ))
      6.000     4.500     0.000 peak  1042 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.376 ppm2      1.749 CV     1
 ASSI { 1043}
   (( segid "    " and resid 65   and name HN  ))
   (  segid "    " and resid 65   and name HB% )
      6.000     4.500     0.000 peak  1043 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.376 ppm2      1.443 CV     1
 ASSI { 1055}
   (( segid "    " and resid 146  and name HN  ))
   (( segid "    " and resid 147  and name HN  ))
      6.000     4.500     0.000 peak  1055 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.882 ppm2      7.430 CV     1
 ASSI { 1056}
   (( segid "    " and resid 146  and name HN  ))
   (( segid "    " and resid 145  and name HN  ))
      6.000     4.500     0.000 peak  1056 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.880 ppm2      6.740 CV     1
 ASSI { 1057}
   (( segid "    " and resid 146  and name HN  ))
   (( segid "    " and resid 142  and name HA  ))
      6.000     4.500     0.000 peak  1057 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.884 ppm2      4.818 CV     1
 ASSI { 1058}
   (( segid "    " and resid 146  and name HN  ))
   (( segid "    " and resid 143  and name HA  ))
      6.000     4.500     0.000 peak  1058 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.876 ppm2      4.095 CV     1
 ASSI { 1059}
   (( segid "    " and resid 146  and name HN  ))
   (( segid "    " and resid 146  and name HA  ))
      6.000     4.500     0.000 peak  1059 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.882 ppm2      3.647 CV     1
 ASSI { 1060}
   (( segid "    " and resid 146  and name HN  ))
   (( segid "    " and resid 148  and name HB1 ))
      6.000     4.500     0.000 peak  1060 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.878 ppm2      3.204 CV     1
 ASSI { 1061}
   (( segid "    " and resid 146  and name HN  ))
   (( segid "    " and resid 145  and name HG1 ))
      6.000     4.500     0.000 peak  1061 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.882 ppm2      2.477 CV     1
 ASSI { 1063}
   (( segid "    " and resid 146  and name HN  ))
   (( segid "    " and resid 141  and name HG1 ))
      6.000     4.500     0.000 peak  1063 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.880 ppm2      2.077 CV     1
 ASSI { 1064}
   (( segid "    " and resid 146  and name HN  ))
   (( segid "    " and resid 146  and name HB  ))
      6.000     4.500     0.000 peak  1064 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.881 ppm2      1.799 CV     1
 ASSI { 1065}
   (( segid "    " and resid 146  and name HN  ))
   (( segid "    " and resid 146  and name HG12))
      6.000     4.500     0.000 peak  1065 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.880 ppm2      1.593 CV     1
 ASSI { 1067}
   (( segid "    " and resid 146  and name HN  ))
   (( segid "    " and resid 147  and name HB2 ))
      6.000     4.500     0.000 peak  1067 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.880 ppm2      1.112 CV     1
 ASSI { 1068}
   (( segid "    " and resid 146  and name HN  ))
   (( segid "    " and resid 146  and name HG11))
      6.000     4.500     0.000 peak  1068 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.879 ppm2      0.967 CV     1
 ASSI { 1069}
   (( segid "    " and resid 146  and name HN  ))
   (  segid "    " and resid 146  and name HG2%)
      6.000     4.500     0.000 peak  1069 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.879 ppm2      0.748 CV     1
 ASSI { 1070}
   (( segid "    " and resid 146  and name HN  ))
   (  segid "    " and resid 146  and name HD1%)
      6.000     4.500     0.000 peak  1070 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.880 ppm2      0.481 CV     1
 ASSI { 1076}
   (( segid "    " and resid 135  and name HN  ))
   (( segid "    " and resid 133  and name HD2 ))
      6.000     4.500     0.000 peak  1076 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.251 ppm2      3.435 CV     1
 ASSI { 1082}
   (( segid "    " and resid 135  and name HN  ))
   (( segid "    " and resid 134  and name HA  ))
      6.000     4.500     0.000 peak  1082 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.246 ppm2      4.547 CV     1
 ASSI { 1084}
   (( segid "    " and resid 135  and name HN  ))
   (( segid "    " and resid 133  and name HA  ))
      6.000     4.500     0.000 peak  1084 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.243 ppm2      4.123 CV     1
 ASSI { 1085}
   (( segid "    " and resid 135  and name HN  ))
   (( segid "    " and resid 135  and name HA  ))
      6.000     4.500     0.000 peak  1085 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.245 ppm2      3.840 CV     1
 ASSI { 1087}
   (( segid "    " and resid 135  and name HN  ))
   (( segid "    " and resid 134  and name HB2 ))
      6.000     4.500     0.000 peak  1087 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.245 ppm2      2.308 CV     1
 OR { 1087}
   (( segid "    " and resid 135  and name HN  ))
   (( segid "    " and resid 134  and name HG2 ))
 ASSI { 1089}
   (( segid "    " and resid 135  and name HN  ))
   (( segid "    " and resid 135  and name HB2 ))
      6.000     4.500     0.000 peak  1089 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.245 ppm2      1.737 CV     1
 ASSI { 1091}
   (( segid "    " and resid 135  and name HN  ))
   (( segid "    " and resid 133  and name HB2 ))
      6.000     4.500     0.000 peak  1091 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.245 ppm2      1.484 CV     1
 ASSI { 1092}
   (( segid "    " and resid 135  and name HN  ))
   (( segid "    " and resid 135  and name HB1 ))
      6.000     4.500     0.000 peak  1092 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.246 ppm2      1.308 CV     1
 ASSI { 1093}
   (( segid "    " and resid 135  and name HN  ))
   (  segid "    " and resid 132  and name HB% )
      6.000     4.500     0.000 peak  1093 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.245 ppm2      0.990 CV     1
 ASSI { 1094}
   (( segid "    " and resid 135  and name HN  ))
   (  segid "    " and resid 135  and name HD1%)
      6.000     4.500     0.000 peak  1094 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.244 ppm2      0.385 CV     1
 ASSI { 1095}
   (( segid "    " and resid 135  and name HN  ))
   (( segid "    " and resid 128  and name HG  ))
      6.000     4.500     0.000 peak  1095 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.245 ppm2      0.258 CV     1
 ASSI { 1096}
   (( segid "    " and resid 135  and name HN  ))
   (  segid "    " and resid 135  and name HD2%)
      6.000     4.500     0.000 peak  1096 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.245 ppm2      0.087 CV     1
 ASSI { 1098}
   (( segid "    " and resid 56   and name HN  ))
   (  segid "    " and resid 57   and name HB% )
      6.000     4.500     0.000 peak  1098 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.206 ppm2      1.334 CV     1
 ASSI { 1105}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 69   and name HN  ))
      6.000     4.500     0.000 peak  1105 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.381 ppm2      8.142 CV     1
 ASSI { 1109}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 62   and name HN  ))
      6.000     4.500     0.000 peak  1109 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.256 ppm2      9.205 CV     1
 ASSI { 1110}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 32   and name HN  ))
      6.000     4.500     0.000 peak  1110 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.252 ppm2      8.975 CV     1
 ASSI { 1111}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 62   and name HA  ))
      6.000     4.500     0.000 peak  1111 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.252 ppm2      5.504 CV     1
 ASSI { 1112}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 62   and name HB  ))
      6.000     4.500     0.000 peak  1112 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.257 ppm2      3.824 CV     1
 ASSI { 1114}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 30   and name HB2 ))
      6.000     4.500     0.000 peak  1114 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.253 ppm2      2.398 CV     1
 ASSI { 1116}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 30   and name HB1 ))
      6.000     4.500     0.000 peak  1116 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.254 ppm2      1.988 CV     1
 ASSI { 1117}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 64   and name HB2 ))
      6.000     4.500     0.000 peak  1117 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.255 ppm2      1.766 CV     1
 ASSI { 1119}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 69   and name HB1 ))
      6.000     4.500     0.000 peak  1119 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.255 ppm2      1.294 CV     1
 ASSI { 1123}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 31   and name HA  ))
      6.000     4.500     0.000 peak  1123 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.249 ppm2      5.904 CV     1
 ASSI { 1124}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 63   and name HA  ))
      6.000     4.500     0.000 peak  1124 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.250 ppm2      4.974 CV     1
 ASSI { 1128}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 64   and name HA  ))
      6.000     4.500     0.000 peak  1128 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.250 ppm2      4.221 CV     1
 ASSI { 1129}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 63   and name HB1 ))
      6.000     4.500     0.000 peak  1129 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.250 ppm2      4.051 CV     1
 OR { 1129}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 63   and name HB2 ))
 ASSI { 1130}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 64   and name HB1 ))
      6.000     4.500     0.000 peak  1130 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.248 ppm2      1.490 CV     1
 ASSI { 1131}
   (( segid "    " and resid 63   and name HN  ))
   (  segid "    " and resid 62   and name HG2%)
      6.000     4.500     0.000 peak  1131 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.248 ppm2      1.094 CV     1
 ASSI { 1133}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 64   and name HG  ))
      6.000     4.500     0.000 peak  1133 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.249 ppm2      0.730 CV     1
 OR { 1133}
   (( segid "    " and resid 63   and name HN  ))
   (  segid "    " and resid 64   and name HD2%)
 OR { 1133}
   (( segid "    " and resid 63   and name HN  ))
   (  segid "    " and resid 64   and name HD1%)
 ASSI { 1137}
   (( segid "    " and resid 146  and name HN  ))
   (( segid "    " and resid 148  and name HN  ))
      6.000     4.500     0.000 peak  1137 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.875 ppm2      7.553 CV     1
 ASSI { 1138}
   (( segid "    " and resid 146  and name HN  ))
   (( segid "    " and resid 145  and name HA  ))
      6.000     4.500     0.000 peak  1138 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.880 ppm2      4.247 CV     1
 ASSI { 1143}
   (( segid "    " and resid 155  and name HN  ))
   (( segid "    " and resid 156  and name HN  ))
      6.000     4.500     0.000 peak  1143 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.452 ppm2      9.069 CV     1
 ASSI { 1146}
   (( segid "    " and resid 155  and name HN  ))
   (( segid "    " and resid 155  and name HA  ))
      6.000     4.500     0.000 peak  1146 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.451 ppm2      4.530 CV     1
 ASSI { 1147}
   (( segid "    " and resid 155  and name HN  ))
   (( segid "    " and resid 126  and name HB1 ))
      6.000     4.500     0.000 peak  1147 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.452 ppm2      2.976 CV     1
 ASSI { 1150}
   (( segid "    " and resid 155  and name HN  ))
   (( segid "    " and resid 155  and name HB1 ))
      6.000     4.500     0.000 peak  1150 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.456 ppm2      1.502 CV     1
 ASSI { 1151}
   (( segid "    " and resid 155  and name HN  ))
   (( segid "    " and resid 154  and name HB1 ))
      6.000     4.500     0.000 peak  1151 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.454 ppm2      1.376 CV     1
 OR { 1151}
   (( segid "    " and resid 155  and name HN  ))
   (( segid "    " and resid 154  and name HB2 ))
 ASSI { 1152}
   (( segid "    " and resid 155  and name HN  ))
   (( segid "    " and resid 154  and name HG1 ))
      6.000     4.500     0.000 peak  1152 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.452 ppm2      1.040 CV     1
 ASSI { 1153}
   (( segid "    " and resid 155  and name HN  ))
   (( segid "    " and resid 155  and name HG  ))
      6.000     4.500     0.000 peak  1153 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.449 ppm2      0.910 CV     1
 ASSI { 1157}
   (( segid "    " and resid 135  and name HN  ))
   (( segid "    " and resid 134  and name HN  ))
      6.000     4.500     0.000 peak  1157 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.244 ppm2      8.285 CV     1
 ASSI { 1159}
   (( segid "    " and resid 135  and name HN  ))
   (( segid "    " and resid 134  and name HG1 ))
      6.000     4.500     0.000 peak  1159 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.243 ppm2      2.136 CV     1
 ASSI { 1162}
   (( segid "    " and resid 56   and name HN  ))
   (  segid "    " and resid 40   and name HD% )
      6.000     4.500     0.000 peak  1162 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.206 ppm2      7.132 CV     1
 ASSI { 1163}
   (( segid "    " and resid 56   and name HN  ))
   (  segid "    " and resid 39   and name HD% )
      6.000     4.500     0.000 peak  1163 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.205 ppm2      6.963 CV     1
 ASSI { 1165}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 8    and name HA2 ))
      6.000     4.500     0.000 peak  1165 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.207 ppm2      3.766 CV     1
 ASSI { 1166}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 55   and name HB1 ))
      6.000     4.500     0.000 peak  1166 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.206 ppm2      3.153 CV     1
 ASSI { 1167}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 127  and name HB2 ))
      6.000     4.500     0.000 peak  1167 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.203 ppm2      2.637 CV     1
 ASSI { 1168}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 55   and name HB2 ))
      6.000     4.500     0.000 peak  1168 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.205 ppm2      2.395 CV     1
 ASSI { 1169}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 127  and name HB1 ))
      6.000     4.500     0.000 peak  1169 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.208 ppm2      1.956 CV     1
 ASSI { 1170}
   (( segid "    " and resid 56   and name HN  ))
   (  segid "    " and resid 7    and name HD1%)
      6.000     4.500     0.000 peak  1170 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.204 ppm2      0.661 CV     1
 ASSI { 1173}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 7    and name HN  ))
      6.000     4.500     0.000 peak  1173 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.200 ppm2      8.807 CV     1
 ASSI { 1175}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 55   and name HA  ))
      6.000     4.500     0.000 peak  1175 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.202 ppm2      6.129 CV     1
 ASSI { 1177}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 8    and name HA1 ))
      6.000     4.500     0.000 peak  1177 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.199 ppm2      5.713 CV     1
 ASSI { 1178}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 6    and name HA  ))
      6.000     4.500     0.000 peak  1178 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.194 ppm2      5.069 CV     1
 ASSI { 1179}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 56   and name HA  ))
      6.000     4.500     0.000 peak  1179 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.198 ppm2      4.932 CV     1
 ASSI { 1188}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 57   and name HA  ))
      6.000     4.500     0.000 peak  1188 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.829 ppm2      5.656 CV     1
 ASSI { 1189}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 96   and name HA  ))
      6.000     4.500     0.000 peak  1189 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.836 ppm2      5.476 CV     1
 ASSI { 1190}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 6    and name HA  ))
      6.000     4.500     0.000 peak  1190 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.828 ppm2      5.057 CV     1
 ASSI { 1192}
   (( segid "    " and resid 7    and name HN  ))
   (  segid "    " and resid 6    and name HB% )
      6.000     4.500     0.000 peak  1192 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.826 ppm2      1.763 CV     1
 ASSI { 1194}
   (( segid "    " and resid 7    and name HN  ))
   (  segid "    " and resid 57   and name HB% )
      6.000     4.500     0.000 peak  1194 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.831 ppm2      1.364 CV     1
 ASSI { 1196}
   (( segid "    " and resid 7    and name HN  ))
   (  segid "    " and resid 58   and name HG2%)
      6.000     4.500     0.000 peak  1196 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.835 ppm2      0.951 CV     1
 OR { 1196}
   (( segid "    " and resid 7    and name HN  ))
   (  segid "    " and resid 58   and name HG1%)
 ASSI { 1198}
   (( segid "    " and resid 7    and name HN  ))
   (  segid "    " and resid 7    and name HD1%)
      6.000     4.500     0.000 peak  1198 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.828 ppm2      0.672 CV     1
 ASSI { 1203}
   (( segid "    " and resid 154  and name HN  ))
   (( segid "    " and resid 155  and name HN  ))
      6.000     4.500     0.000 peak  1203 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.390 ppm2      7.433 CV     1
 ASSI { 1204}
   (( segid "    " and resid 154  and name HN  ))
   (( segid "    " and resid 153  and name HA  ))
      6.000     4.500     0.000 peak  1204 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.391 ppm2      4.578 CV     1
 ASSI { 1206}
   (( segid "    " and resid 154  and name HN  ))
   (( segid "    " and resid 153  and name HB2 ))
      6.000     4.500     0.000 peak  1206 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.389 ppm2      2.747 CV     1
 ASSI { 1207}
   (( segid "    " and resid 154  and name HN  ))
   (( segid "    " and resid 153  and name HB1 ))
      6.000     4.500     0.000 peak  1207 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.391 ppm2      2.602 CV     1
 ASSI { 1208}
   (( segid "    " and resid 154  and name HN  ))
   (( segid "    " and resid 154  and name HB1 ))
      6.000     4.500     0.000 peak  1208 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.390 ppm2      1.370 CV     1
 OR { 1208}
   (( segid "    " and resid 154  and name HN  ))
   (( segid "    " and resid 154  and name HB2 ))
 OR { 1208}
   (( segid "    " and resid 154  and name HN  ))
   (( segid "    " and resid 154  and name HD2 ))
 ASSI { 1209}
   (( segid "    " and resid 154  and name HN  ))
   (( segid "    " and resid 154  and name HG1 ))
      6.000     4.500     0.000 peak  1209 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.389 ppm2      1.031 CV     1
 ASSI { 1212}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 45   and name HB2 ))
      6.000     4.500     0.000 peak  1212 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.169 ppm2      1.613 CV     1
 OR { 1212}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 45   and name HB1 ))
 ASSI { 1215}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 57   and name HN  ))
      6.000     4.500     0.000 peak  1215 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.196 ppm2      9.455 CV     1
 ASSI { 1217}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 24   and name HN  ))
      6.000     4.500     0.000 peak  1217 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.013 ppm2      7.893 CV     1
 ASSI { 1218}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 23   and name HN  ))
      6.000     4.500     0.000 peak  1218 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.016 ppm2      7.744 CV     1
 ASSI { 1219}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 26   and name HN  ))
      6.000     4.500     0.000 peak  1219 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.014 ppm2      7.578 CV     1
 ASSI { 1221}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 25   and name HB2 ))
      6.000     4.500     0.000 peak  1221 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.014 ppm2      2.127 CV     1
 ASSI { 1222}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 25   and name HG  ))
      6.000     4.500     0.000 peak  1222 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.012 ppm2      1.935 CV     1
 ASSI { 1223}
   (( segid "    " and resid 25   and name HN  ))
   (  segid "    " and resid 24   and name HB% )
      6.000     4.500     0.000 peak  1223 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.011 ppm2      1.517 CV     1
 ASSI { 1224}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 25   and name HB1 ))
      6.000     4.500     0.000 peak  1224 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.012 ppm2      1.247 CV     1
 ASSI { 1225}
   (( segid "    " and resid 25   and name HN  ))
   (  segid "    " and resid 25   and name HD1%)
      6.000     4.500     0.000 peak  1225 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.011 ppm2      0.833 CV     1
 OR { 1225}
   (( segid "    " and resid 25   and name HN  ))
   (  segid "    " and resid 25   and name HD2%)
 ASSI { 1226}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 24   and name HA  ))
      6.000     4.500     0.000 peak  1226 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.004 ppm2      4.183 CV     1
 ASSI { 1233}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 73   and name HN  ))
      6.000     4.500     0.000 peak  1233 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.881 ppm2      9.288 CV     1
 ASSI { 1236}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 75   and name HN  ))
      6.000     4.500     0.000 peak  1236 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.879 ppm2      7.660 CV     1
 ASSI { 1239}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 70   and name HA  ))
      6.000     4.500     0.000 peak  1239 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.884 ppm2      4.555 CV     1
 ASSI { 1240}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 74   and name HA  ))
      6.000     4.500     0.000 peak  1240 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.882 ppm2      4.195 CV     1
 ASSI { 1241}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 73   and name HB  ))
      6.000     4.500     0.000 peak  1241 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.884 ppm2      3.922 CV     1
 ASSI { 1243}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 74   and name HG2 ))
      6.000     4.500     0.000 peak  1243 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.879 ppm2      2.923 CV     1
 ASSI { 1245}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 74   and name HG1 ))
      6.000     4.500     0.000 peak  1245 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.879 ppm2      2.404 CV     1
 ASSI { 1246}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 74   and name HB2 ))
      6.000     4.500     0.000 peak  1246 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.878 ppm2      2.214 CV     1
 OR { 1246}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 74   and name HB1 ))
 ASSI { 1250}
   (( segid "    " and resid 74   and name HN  ))
   (  segid "    " and resid 73   and name HG2%)
      6.000     4.500     0.000 peak  1250 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.878 ppm2      1.042 CV     1
 ASSI { 1251}
   (( segid "    " and resid 74   and name HN  ))
   (  segid "    " and resid 70   and name HD1%)
      6.000     4.500     0.000 peak  1251 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.879 ppm2      0.710 CV     1
 ASSI { 1257}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 6    and name HN  ))
      6.000     4.500     0.000 peak  1257 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.816 ppm2      9.953 CV     1
 ASSI { 1260}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 38   and name HN  ))
      6.000     4.500     0.000 peak  1260 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.738 ppm2      9.431 CV     1
 ASSI { 1264}
   (( segid "    " and resid 39   and name HN  ))
   (  segid "    " and resid 40   and name HD% )
      6.000     4.500     0.000 peak  1264 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.739 ppm2      7.113 CV     1
 ASSI { 1265}
   (( segid "    " and resid 39   and name HN  ))
   (  segid "    " and resid 39   and name HD% )
      6.000     4.500     0.000 peak  1265 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.738 ppm2      6.975 CV     1
 ASSI { 1266}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 39   and name HA  ))
      6.000     4.500     0.000 peak  1266 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.738 ppm2      5.384 CV     1
 ASSI { 1269}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 38   and name HA  ))
      6.000     4.500     0.000 peak  1269 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.737 ppm2      4.283 CV     1
 ASSI { 1270}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 38   and name HB1 ))
      6.000     4.500     0.000 peak  1270 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.738 ppm2      3.750 CV     1
 ASSI { 1271}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 38   and name HB2 ))
      6.000     4.500     0.000 peak  1271 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.737 ppm2      3.602 CV     1
 ASSI { 1272}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 39   and name HB2 ))
      6.000     4.500     0.000 peak  1272 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.735 ppm2      3.320 CV     1
 ASSI { 1273}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 158  and name HB2 ))
      6.000     4.500     0.000 peak  1273 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.738 ppm2      3.126 CV     1
 ASSI { 1276}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 157  and name HG2 ))
      6.000     4.500     0.000 peak  1276 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.744 ppm2      1.562 CV     1
 ASSI { 1281}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 157  and name HB2 ))
      6.000     4.500     0.000 peak  1281 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.714 ppm2      1.972 CV     1
 ASSI { 1295}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 75   and name HN  ))
      6.000     4.500     0.000 peak  1295 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.076 ppm2      7.634 CV     1
 ASSI { 1296}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 72   and name HA  ))
      6.000     4.500     0.000 peak  1296 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.082 ppm2      4.383 CV     1
 ASSI { 1297}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 75   and name HD1 ))
      6.000     4.500     0.000 peak  1297 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.074 ppm2      3.173 CV     1
 ASSI { 1304}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 72   and name HB2 ))
      6.000     4.500     0.000 peak  1304 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.643 ppm2      3.420 CV     1
 ASSI { 1311}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 76   and name HN  ))
      6.000     4.500     0.000 peak  1311 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.879 ppm2      8.079 CV     1
 ASSI { 1316}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 18   and name HN  ))
      6.000     4.500     0.000 peak  1316 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.194 ppm2      8.531 CV     1
 ASSI { 1317}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 16   and name HA  ))
      6.000     4.500     0.000 peak  1317 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.195 ppm2      4.083 CV     1
 ASSI { 1319}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 17   and name HG2 ))
      6.000     4.500     0.000 peak  1319 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.199 ppm2      2.321 CV     1
 OR { 1319}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 17   and name HG1 ))
 ASSI { 1324}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 77   and name HN  ))
      6.000     4.500     0.000 peak  1324 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.075 ppm2      8.294 CV     1
 ASSI { 1325}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 75   and name HA  ))
      6.000     4.500     0.000 peak  1325 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.073 ppm2      4.133 CV     1
 ASSI { 1327}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 76   and name HA  ))
      6.000     4.500     0.000 peak  1327 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.076 ppm2      3.760 CV     1
 ASSI { 1328}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 75   and name HD2 ))
      6.000     4.500     0.000 peak  1328 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.079 ppm2      3.310 CV     1
 ASSI { 1329}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 75   and name HB2 ))
      6.000     4.500     0.000 peak  1329 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.074 ppm2      2.274 CV     1
 ASSI { 1330}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 76   and name HG11))
      6.000     4.500     0.000 peak  1330 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.076 ppm2      2.093 CV     1
 OR { 1330}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 76   and name HG12))
 ASSI { 1334}
   (( segid "    " and resid 76   and name HN  ))
   (  segid "    " and resid 76   and name HG2%)
      6.000     4.500     0.000 peak  1334 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.076 ppm2      0.846 CV     1
 ASSI { 1335}
   (( segid "    " and resid 76   and name HN  ))
   (  segid "    " and resid 94   and name HD2%)
      6.000     4.500     0.000 peak  1335 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.076 ppm2      0.742 CV     1
 ASSI { 1337}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 75   and name HG2 ))
      6.000     4.500     0.000 peak  1337 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.067 ppm2      1.666 CV     1
 ASSI { 1340}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 73   and name HN  ))
      6.000     4.500     0.000 peak  1340 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.647 ppm2      9.273 CV     1
 ASSI { 1341}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 77   and name HN  ))
      6.000     4.500     0.000 peak  1341 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.643 ppm2      8.308 CV     1
 ASSI { 1344}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 72   and name HA  ))
      6.000     4.500     0.000 peak  1344 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.641 ppm2      4.387 CV     1
 ASSI { 1345}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 75   and name HA  ))
      6.000     4.500     0.000 peak  1345 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.644 ppm2      4.137 CV     1
 ASSI { 1346}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 75   and name HD2 ))
      6.000     4.500     0.000 peak  1346 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.645 ppm2      3.317 CV     1
 ASSI { 1347}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 75   and name HD1 ))
      6.000     4.500     0.000 peak  1347 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.645 ppm2      3.151 CV     1
 ASSI { 1348}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 74   and name HG1 ))
      6.000     4.500     0.000 peak  1348 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.643 ppm2      2.415 CV     1
 ASSI { 1349}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 75   and name HB2 ))
      6.000     4.500     0.000 peak  1349 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.643 ppm2      2.273 CV     1
 ASSI { 1351}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 75   and name HB1 ))
      6.000     4.500     0.000 peak  1351 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.644 ppm2      1.876 CV     1
 ASSI { 1352}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 75   and name HG2 ))
      6.000     4.500     0.000 peak  1352 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.644 ppm2      1.664 CV     1
 ASSI { 1353}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 75   and name HG1 ))
      6.000     4.500     0.000 peak  1353 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.641 ppm2      1.549 CV     1
 ASSI { 1356}
   (( segid "    " and resid 75   and name HN  ))
   (  segid "    " and resid 78   and name HD1%)
      6.000     4.500     0.000 peak  1356 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.646 ppm2      0.781 CV     1
 OR { 1356}
   (( segid "    " and resid 75   and name HN  ))
   (  segid "    " and resid 78   and name HD2%)
 ASSI { 1359}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 61   and name HN  ))
      6.000     4.500     0.000 peak  1359 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.208 ppm2      8.780 CV     1
 ASSI { 1362}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 2    and name HA  ))
      6.000     4.500     0.000 peak  1362 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.211 ppm2      4.226 CV     1
 ASSI { 1373}
   (( segid "    " and resid 141  and name HN  ))
   (( segid "    " and resid 137  and name HB1 ))
      6.000     4.500     0.000 peak  1373 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.993 ppm2      3.248 CV     1
 ASSI { 1374}
   (( segid "    " and resid 141  and name HN  ))
   (( segid "    " and resid 139  and name HB2 ))
      6.000     4.500     0.000 peak  1374 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.994 ppm2      3.043 CV     1
 ASSI { 1378}
   (( segid "    " and resid 141  and name HN  ))
   (  segid "    " and resid 136  and name HG1%)
      6.000     4.500     0.000 peak  1378 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.993 ppm2      1.022 CV     1
 ASSI { 1382}
   (( segid "    " and resid 141  and name HN  ))
   (( segid "    " and resid 140  and name HN  ))
      6.000     4.500     0.000 peak  1382 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.991 ppm2      8.363 CV     1
 ASSI { 1384}
   (( segid "    " and resid 141  and name HN  ))
   (( segid "    " and resid 139  and name HN  ))
      6.000     4.500     0.000 peak  1384 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.990 ppm2      7.487 CV     1
 ASSI { 1387}
   (( segid "    " and resid 141  and name HN  ))
   (( segid "    " and resid 141  and name HA  ))
      6.000     4.500     0.000 peak  1387 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.990 ppm2      4.289 CV     1
 ASSI { 1388}
   (( segid "    " and resid 141  and name HN  ))
   (( segid "    " and resid 140  and name HA1 ))
      6.000     4.500     0.000 peak  1388 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.990 ppm2      3.514 CV     1
 ASSI { 1389}
   (( segid "    " and resid 141  and name HN  ))
   (( segid "    " and resid 137  and name HB2 ))
      6.000     4.500     0.000 peak  1389 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.989 ppm2      3.364 CV     1
 ASSI { 1391}
   (( segid "    " and resid 141  and name HN  ))
   (( segid "    " and resid 139  and name HB1 ))
      6.000     4.500     0.000 peak  1391 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.988 ppm2      2.605 CV     1
 ASSI { 1392}
   (( segid "    " and resid 141  and name HN  ))
   (( segid "    " and resid 141  and name HG2 ))
      6.000     4.500     0.000 peak  1392 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.990 ppm2      2.285 CV     1
 ASSI { 1393}
   (( segid "    " and resid 141  and name HN  ))
   (( segid "    " and resid 141  and name HG1 ))
      6.000     4.500     0.000 peak  1393 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.991 ppm2      2.049 CV     1
 ASSI { 1394}
   (( segid "    " and resid 141  and name HN  ))
   (( segid "    " and resid 141  and name HB2 ))
      6.000     4.500     0.000 peak  1394 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.991 ppm2      1.859 CV     1
 ASSI { 1395}
   (( segid "    " and resid 141  and name HN  ))
   (( segid "    " and resid 141  and name HB1 ))
      6.000     4.500     0.000 peak  1395 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.991 ppm2      1.765 CV     1
 ASSI { 1404}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 1    and name HG21))
      6.000     4.500     0.000 peak  1404 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.216 ppm2      0.514 CV     1
 ASSI { 1406}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 32   and name HN  ))
      6.000     4.500     0.000 peak  1406 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.204 ppm2      8.969 CV     1
 ASSI { 1408}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 31   and name HA  ))
      6.000     4.500     0.000 peak  1408 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.209 ppm2      5.910 CV     1
 ASSI { 1409}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 62   and name HA  ))
      6.000     4.500     0.000 peak  1409 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.209 ppm2      5.498 CV     1
 ASSI { 1413}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 63   and name HB1 ))
      6.000     4.500     0.000 peak  1413 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.208 ppm2      4.067 CV     1
 OR { 1413}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 63   and name HB2 ))
 ASSI { 1415}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 62   and name HB  ))
      6.000     4.500     0.000 peak  1415 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.208 ppm2      3.820 CV     1
 ASSI { 1416}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 61   and name HG2 ))
      6.000     4.500     0.000 peak  1416 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.207 ppm2      2.193 CV     1
 ASSI { 1417}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 61   and name HG1 ))
      6.000     4.500     0.000 peak  1417 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.208 ppm2      1.917 CV     1
 ASSI { 1418}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 61   and name HB2 ))
      6.000     4.500     0.000 peak  1418 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.209 ppm2      1.745 CV     1
 ASSI { 1420}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 60   and name HG  ))
      6.000     4.500     0.000 peak  1420 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.211 ppm2      1.254 CV     1
 ASSI { 1421}
   (( segid "    " and resid 62   and name HN  ))
   (  segid "    " and resid 62   and name HG2%)
      6.000     4.500     0.000 peak  1421 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.210 ppm2      1.090 CV     1
 ASSI { 1423}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 64   and name HG  ))
      6.000     4.500     0.000 peak  1423 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.209 ppm2      0.769 CV     1
 ASSI { 1424}
   (( segid "    " and resid 62   and name HN  ))
   (  segid "    " and resid 2    and name HG1%)
      6.000     4.500     0.000 peak  1424 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.210 ppm2      0.126 CV     1
 ASSI { 1428}
   (( segid "    " and resid 157  and name HN  ))
   (( segid "    " and resid 156  and name HN  ))
      6.000     4.500     0.000 peak  1428 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.579 ppm2      9.071 CV     1
 ASSI { 1429}
   (( segid "    " and resid 157  and name HN  ))
   (( segid "    " and resid 41   and name HN  ))
      6.000     4.500     0.000 peak  1429 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.586 ppm2      8.931 CV     1
 ASSI { 1431}
   (( segid "    " and resid 157  and name HN  ))
   (( segid "    " and resid 156  and name HD21))
      6.000     4.500     0.000 peak  1431 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.583 ppm2      7.706 CV     1
 ASSI { 1434}
   (( segid "    " and resid 157  and name HN  ))
   (( segid "    " and resid 156  and name HA  ))
      6.000     4.500     0.000 peak  1434 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.583 ppm2      4.846 CV     1
 ASSI { 1435}
   (( segid "    " and resid 157  and name HN  ))
   (( segid "    " and resid 157  and name HA  ))
      6.000     4.500     0.000 peak  1435 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.585 ppm2      4.461 CV     1
 ASSI { 1436}
   (( segid "    " and resid 157  and name HN  ))
   (( segid "    " and resid 156  and name HB2 ))
      6.000     4.500     0.000 peak  1436 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.586 ppm2      2.866 CV     1
 ASSI { 1437}
   (( segid "    " and resid 157  and name HN  ))
   (( segid "    " and resid 156  and name HB1 ))
      6.000     4.500     0.000 peak  1437 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.585 ppm2      2.766 CV     1
 ASSI { 1438}
   (( segid "    " and resid 157  and name HN  ))
   (( segid "    " and resid 157  and name HB2 ))
      6.000     4.500     0.000 peak  1438 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.584 ppm2      1.968 CV     1
 ASSI { 1439}
   (( segid "    " and resid 157  and name HN  ))
   (( segid "    " and resid 157  and name HB1 ))
      6.000     4.500     0.000 peak  1439 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.585 ppm2      1.765 CV     1
 ASSI { 1440}
   (( segid "    " and resid 157  and name HN  ))
   (( segid "    " and resid 157  and name HG2 ))
      6.000     4.500     0.000 peak  1440 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.584 ppm2      1.568 CV     1
 ASSI { 1441}
   (( segid "    " and resid 157  and name HN  ))
   (( segid "    " and resid 157  and name HG1 ))
      6.000     4.500     0.000 peak  1441 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.586 ppm2      1.183 CV     1
 ASSI { 1448}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 67   and name HN  ))
      6.000     4.500     0.000 peak  1448 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.170 ppm2      8.722 CV     1
 ASSI { 1449}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 70   and name HN  ))
      6.000     4.500     0.000 peak  1449 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.167 ppm2      7.810 CV     1
 ASSI { 1452}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 68   and name HN  ))
      6.000     4.500     0.000 peak  1452 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.168 ppm2      6.870 CV     1
 ASSI { 1454}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 66   and name HA  ))
      6.000     4.500     0.000 peak  1454 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.168 ppm2      3.357 CV     1
 ASSI { 1455}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 69   and name HB2 ))
      6.000     4.500     0.000 peak  1455 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.167 ppm2      2.201 CV     1
 ASSI { 1456}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 64   and name HB2 ))
      6.000     4.500     0.000 peak  1456 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.168 ppm2      1.728 CV     1
 ASSI { 1459}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 69   and name HB1 ))
      6.000     4.500     0.000 peak  1459 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.167 ppm2      1.298 CV     1
 ASSI { 1460}
   (( segid "    " and resid 69   and name HN  ))
   (  segid "    " and resid 64   and name HD1%)
      6.000     4.500     0.000 peak  1460 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.165 ppm2      0.732 CV     1
 OR { 1460}
   (( segid "    " and resid 69   and name HN  ))
   (  segid "    " and resid 64   and name HD2%)
 ASSI { 1461}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 66   and name HB1 ))
      6.000     4.500     0.000 peak  1461 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.165 ppm2      0.534 CV     1
 ASSI { 1464}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 23   and name HN  ))
      6.000     4.500     0.000 peak  1464 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.900 ppm2      7.753 CV     1
 ASSI { 1465}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 26   and name HN  ))
      6.000     4.500     0.000 peak  1465 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.905 ppm2      7.581 CV     1
 ASSI { 1467}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 27   and name HN  ))
      6.000     4.500     0.000 peak  1467 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.905 ppm2      7.324 CV     1
 ASSI { 1469}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 72   and name HB1 ))
      6.000     4.500     0.000 peak  1469 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.904 ppm2      2.968 CV     1
 ASSI { 1471}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 23   and name HD1 ))
      6.000     4.500     0.000 peak  1471 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.903 ppm2      1.679 CV     1
 ASSI { 1475}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 24   and name HA  ))
      6.000     4.500     0.000 peak  1475 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.899 ppm2      4.179 CV     1
 ASSI { 1478}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 23   and name HB1 ))
      6.000     4.500     0.000 peak  1478 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.898 ppm2      1.947 CV     1
 OR { 1478}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 23   and name HB2 ))
 ASSI { 1479}
   (( segid "    " and resid 24   and name HN  ))
   (  segid "    " and resid 24   and name HB% )
      6.000     4.500     0.000 peak  1479 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.898 ppm2      1.518 CV     1
 ASSI { 1481}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 19   and name HA  ))
      6.000     4.500     0.000 peak  1481 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.757 ppm2      4.541 CV     1
 ASSI { 1486}
   (( segid "    " and resid 156  and name HN  ))
   (( segid "    " and resid 41   and name HN  ))
      6.000     4.500     0.000 peak  1486 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.080 ppm2      8.939 CV     1
 ASSI { 1489}
   (( segid "    " and resid 156  and name HN  ))
   (( segid "    " and resid 156  and name HD21))
      6.000     4.500     0.000 peak  1489 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.079 ppm2      7.698 CV     1
 ASSI { 1492}
   (( segid "    " and resid 156  and name HN  ))
   (( segid "    " and resid 156  and name HD22))
      6.000     4.500     0.000 peak  1492 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.079 ppm2      7.068 CV     1
 ASSI { 1493}
   (( segid "    " and resid 156  and name HN  ))
   (( segid "    " and resid 156  and name HA  ))
      6.000     4.500     0.000 peak  1493 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.080 ppm2      4.842 CV     1
 ASSI { 1495}
   (( segid "    " and resid 156  and name HN  ))
   (( segid "    " and resid 155  and name HA  ))
      6.000     4.500     0.000 peak  1495 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.079 ppm2      4.520 CV     1
 ASSI { 1499}
   (( segid "    " and resid 156  and name HN  ))
   (( segid "    " and resid 156  and name HB2 ))
      6.000     4.500     0.000 peak  1499 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.080 ppm2      2.863 CV     1
 ASSI { 1500}
   (( segid "    " and resid 156  and name HN  ))
   (( segid "    " and resid 156  and name HB1 ))
      6.000     4.500     0.000 peak  1500 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.080 ppm2      2.762 CV     1
 ASSI { 1503}
   (( segid "    " and resid 156  and name HN  ))
   (( segid "    " and resid 155  and name HB1 ))
      6.000     4.500     0.000 peak  1503 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.077 ppm2      1.504 CV     1
 ASSI { 1504}
   (( segid "    " and resid 156  and name HN  ))
   (( segid "    " and resid 154  and name HD1 ))
      6.000     4.500     0.000 peak  1504 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.080 ppm2      1.386 CV     1
 ASSI { 1506}
   (( segid "    " and resid 156  and name HN  ))
   (( segid "    " and resid 155  and name HG  ))
      6.000     4.500     0.000 peak  1506 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.078 ppm2      0.910 CV     1
 ASSI { 1527}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 23   and name HB2 ))
      6.000     4.500     0.000 peak  1527 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.749 ppm2      1.946 CV     1
 OR { 1527}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 23   and name HB1 ))
 ASSI { 1528}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 23   and name HD2 ))
      6.000     4.500     0.000 peak  1528 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.749 ppm2      1.687 CV     1
 OR { 1528}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 23   and name HD1 ))
 ASSI { 1531}
   (( segid "    " and resid 23   and name HN  ))
   (  segid "    " and resid 22   and name HD2%)
      6.000     4.500     0.000 peak  1531 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.747 ppm2      1.086 CV     1
 ASSI { 1535}
   (( segid "    " and resid 111  and name HN  ))
   (( segid "    " and resid 112  and name HN  ))
      6.000     4.500     0.000 peak  1535 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.604 ppm2      9.711 CV     1
 ASSI { 1536}
   (( segid "    " and resid 111  and name HN  ))
   (( segid "    " and resid 108  and name HN  ))
      6.000     4.500     0.000 peak  1536 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.606 ppm2      8.993 CV     1
 ASSI { 1537}
   (( segid "    " and resid 111  and name HN  ))
   (( segid "    " and resid 109  and name HN  ))
      6.000     4.500     0.000 peak  1537 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.602 ppm2      8.866 CV     1
 ASSI { 1538}
   (( segid "    " and resid 111  and name HN  ))
   (( segid "    " and resid 110  and name HN  ))
      6.000     4.500     0.000 peak  1538 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.605 ppm2      7.936 CV     1
 ASSI { 1544}
   (( segid "    " and resid 111  and name HN  ))
   (( segid "    " and resid 109  and name HA  ))
      6.000     4.500     0.000 peak  1544 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.608 ppm2      4.031 CV     1
 ASSI { 1545}
   (( segid "    " and resid 111  and name HN  ))
   (( segid "    " and resid 111  and name HA  ))
      6.000     4.500     0.000 peak  1545 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.605 ppm2      3.891 CV     1
 ASSI { 1546}
   (( segid "    " and resid 111  and name HN  ))
   (( segid "    " and resid 109  and name HB1 ))
      6.000     4.500     0.000 peak  1546 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.605 ppm2      2.035 CV     1
 ASSI { 1547}
   (( segid "    " and resid 111  and name HN  ))
   (( segid "    " and resid 110  and name HG1 ))
      6.000     4.500     0.000 peak  1547 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.601 ppm2      1.764 CV     1
 ASSI { 1548}
   (( segid "    " and resid 111  and name HN  ))
   (( segid "    " and resid 110  and name HB1 ))
      6.000     4.500     0.000 peak  1548 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.601 ppm2      1.641 CV     1
 ASSI { 1549}
   (( segid "    " and resid 111  and name HN  ))
   (( segid "    " and resid 111  and name HB2 ))
      6.000     4.500     0.000 peak  1549 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.603 ppm2      1.320 CV     1
 ASSI { 1552}
   (( segid "    " and resid 111  and name HN  ))
   (  segid "    " and resid 111  and name HD1%)
      6.000     4.500     0.000 peak  1552 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.605 ppm2      0.333 CV     1
 ASSI { 1553}
   (( segid "    " and resid 111  and name HN  ))
   (( segid "    " and resid 110  and name HA  ))
      6.000     4.500     0.000 peak  1553 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.600 ppm2      4.218 CV     1
 ASSI { 1568}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 93   and name HA  ))
      6.000     4.500     0.000 peak  1568 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.521 ppm2      4.434 CV     1
 ASSI { 1569}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 49   and name HB2 ))
      6.000     4.500     0.000 peak  1569 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.513 ppm2      2.744 CV     1
 ASSI { 1570}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 49   and name HB1 ))
      6.000     4.500     0.000 peak  1570 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.512 ppm2      2.621 CV     1
 ASSI { 1571}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 49   and name HA  ))
      6.000     4.500     0.000 peak  1571 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.511 ppm2      4.600 CV     1
 ASSI { 1572}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 48   and name HA  ))
      6.000     4.500     0.000 peak  1572 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.509 ppm2      4.226 CV     1
 ASSI { 1576}
   (( segid "    " and resid 105  and name HN  ))
   (( segid "    " and resid 104  and name HN  ))
      6.000     4.500     0.000 peak  1576 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.185 ppm2      8.329 CV     1
 ASSI { 1577}
   (( segid "    " and resid 105  and name HN  ))
   (( segid "    " and resid 105  and name HA  ))
      6.000     4.500     0.000 peak  1577 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.186 ppm2      4.667 CV     1
 ASSI { 1578}
   (( segid "    " and resid 105  and name HN  ))
   (( segid "    " and resid 104  and name HA  ))
      6.000     4.500     0.000 peak  1578 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.184 ppm2      4.248 CV     1
 ASSI { 1579}
   (( segid "    " and resid 105  and name HN  ))
   (( segid "    " and resid 104  and name HG2 ))
      6.000     4.500     0.000 peak  1579 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.181 ppm2      2.527 CV     1
 ASSI { 1581}
   (( segid "    " and resid 105  and name HN  ))
   (( segid "    " and resid 104  and name HB1 ))
      6.000     4.500     0.000 peak  1581 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.184 ppm2      2.375 CV     1
 ASSI { 1582}
   (( segid "    " and resid 105  and name HN  ))
   (( segid "    " and resid 104  and name HB2 ))
      6.000     4.500     0.000 peak  1582 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.183 ppm2      2.160 CV     1
 ASSI { 1583}
   (( segid "    " and resid 105  and name HN  ))
   (( segid "    " and resid 105  and name HB  ))
      6.000     4.500     0.000 peak  1583 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.183 ppm2      2.002 CV     1
 ASSI { 1584}
   (( segid "    " and resid 105  and name HN  ))
   (  segid "    " and resid 105  and name HG2%)
      6.000     4.500     0.000 peak  1584 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.184 ppm2      1.022 CV     1
 OR { 1584}
   (( segid "    " and resid 105  and name HN  ))
   (  segid "    " and resid 105  and name HG1%)
 ASSI { 1589}
   (( segid "    " and resid 111  and name HN  ))
   (( segid "    " and resid 107  and name HA  ))
      6.000     4.500     0.000 peak  1589 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.603 ppm2      5.498 CV     1
 ASSI { 1590}
   (( segid "    " and resid 111  and name HN  ))
   (( segid "    " and resid 108  and name HB  ))
      6.000     4.500     0.000 peak  1590 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.606 ppm2      4.661 CV     1
 ASSI { 1593}
   (( segid "    " and resid 92   and name HN  ))
   (( segid "    " and resid 91   and name HA  ))
      6.000     4.500     0.000 peak  1593 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.821 ppm2      4.579 CV     1
 ASSI { 1616}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 14   and name HD2 ))
      6.000     4.500     0.000 peak  1616 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.189 ppm2      3.995 CV     1
 OR { 1616}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 14   and name HD1 ))
 ASSI { 1619}
   (( segid "    " and resid 118  and name HN  ))
   (( segid "    " and resid 119  and name HN  ))
      6.000     4.500     0.000 peak  1619 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.551 ppm2      8.072 CV     1
 ASSI { 1621}
   (( segid "    " and resid 118  and name HN  ))
   (  segid "    " and resid 116  and name HD% )
      6.000     4.500     0.000 peak  1621 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.556 ppm2      6.696 CV     1
 ASSI { 1623}
   (( segid "    " and resid 118  and name HN  ))
   (( segid "    " and resid 117  and name HA  ))
      6.000     4.500     0.000 peak  1623 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.551 ppm2      5.034 CV     1
 ASSI { 1624}
   (( segid "    " and resid 118  and name HN  ))
   (( segid "    " and resid 118  and name HA  ))
      6.000     4.500     0.000 peak  1624 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.551 ppm2      3.835 CV     1
 ASSI { 1626}
   (( segid "    " and resid 118  and name HN  ))
   (( segid "    " and resid 118  and name HG2 ))
      6.000     4.500     0.000 peak  1626 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.552 ppm2      3.299 CV     1
 ASSI { 1627}
   (( segid "    " and resid 118  and name HN  ))
   (( segid "    " and resid 115  and name HB1 ))
      6.000     4.500     0.000 peak  1627 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.551 ppm2      2.985 CV     1
 ASSI { 1629}
   (( segid "    " and resid 118  and name HN  ))
   (( segid "    " and resid 121  and name HD1 ))
      6.000     4.500     0.000 peak  1629 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.553 ppm2      2.450 CV     1
 ASSI { 1630}
   (( segid "    " and resid 118  and name HN  ))
   (( segid "    " and resid 118  and name HG1 ))
      6.000     4.500     0.000 peak  1630 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.550 ppm2      2.154 CV     1
 ASSI { 1631}
   (( segid "    " and resid 118  and name HN  ))
   (( segid "    " and resid 118  and name HB2 ))
      6.000     4.500     0.000 peak  1631 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.552 ppm2      1.965 CV     1
 ASSI { 1640}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 50   and name HE21))
      6.000     4.500     0.000 peak  1640 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.517 ppm2      7.940 CV     1
 ASSI { 1647}
   (( segid "    " and resid 151  and name HN  ))
   (( segid "    " and resid 150  and name HN  ))
      6.000     4.500     0.000 peak  1647 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.553 ppm2      7.848 CV     1
 ASSI { 1649}
   (( segid "    " and resid 151  and name HN  ))
   (( segid "    " and resid 152  and name HN  ))
      6.000     4.500     0.000 peak  1649 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.553 ppm2      7.250 CV     1
 ASSI { 1655}
   (( segid "    " and resid 151  and name HN  ))
   (( segid "    " and resid 148  and name HA  ))
      6.000     4.500     0.000 peak  1655 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.556 ppm2      4.468 CV     1
 ASSI { 1656}
   (( segid "    " and resid 151  and name HN  ))
   (( segid "    " and resid 151  and name HA  ))
      6.000     4.500     0.000 peak  1656 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.554 ppm2      4.096 CV     1
 ASSI { 1658}
   (( segid "    " and resid 151  and name HN  ))
   (( segid "    " and resid 152  and name HB2 ))
      6.000     4.500     0.000 peak  1658 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.549 ppm2      3.426 CV     1
 ASSI { 1660}
   (( segid "    " and resid 151  and name HN  ))
   (( segid "    " and resid 152  and name HB1 ))
      6.000     4.500     0.000 peak  1660 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.554 ppm2      2.692 CV     1
 ASSI { 1661}
   (( segid "    " and resid 151  and name HN  ))
   (( segid "    " and resid 150  and name HG1 ))
      6.000     4.500     0.000 peak  1661 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.554 ppm2      1.449 CV     1
 ASSI { 1662}
   (( segid "    " and resid 151  and name HN  ))
   (  segid "    " and resid 151  and name HB% )
      6.000     4.500     0.000 peak  1662 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.554 ppm2      1.212 CV     1
 ASSI { 1664}
   (( segid "    " and resid 151  and name HN  ))
   (( segid "    " and resid 150  and name HB1 ))
      6.000     4.500     0.000 peak  1664 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.553 ppm2      0.917 CV     1
 ASSI { 1672}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 10   and name HN  ))
      6.000     4.500     0.000 peak  1672 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.303 ppm2      8.299 CV     1
 ASSI { 1673}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 11   and name HB1 ))
      6.000     4.500     0.000 peak  1673 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.302 ppm2      1.248 CV     1
 OR { 1673}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 11   and name HB2 ))
 ASSI { 1674}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 14   and name HA  ))
      6.000     4.500     0.000 peak  1674 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.298 ppm2      4.270 CV     1
 ASSI { 1677}
   (( segid "    " and resid 129  and name HN  ))
   (( segid "    " and resid 132  and name HN  ))
      6.000     4.500     0.000 peak  1677 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.632 ppm2      8.296 CV     1
 ASSI { 1678}
   (( segid "    " and resid 129  and name HN  ))
   (( segid "    " and resid 126  and name HE3 ))
      6.000     4.500     0.000 peak  1678 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.638 ppm2      7.807 CV     1
 ASSI { 1679}
   (( segid "    " and resid 129  and name HN  ))
   (( segid "    " and resid 130  and name HN  ))
      6.000     4.500     0.000 peak  1679 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.631 ppm2      7.605 CV     1
 ASSI { 1680}
   (( segid "    " and resid 129  and name HN  ))
   (  segid "    " and resid 129  and name HD% )
      6.000     4.500     0.000 peak  1680 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.634 ppm2      7.209 CV     1
 ASSI { 1681}
   (( segid "    " and resid 129  and name HN  ))
   (( segid "    " and resid 128  and name HN  ))
      6.000     4.500     0.000 peak  1681 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.632 ppm2      6.517 CV     1
 ASSI { 1683}
   (( segid "    " and resid 129  and name HN  ))
   (( segid "    " and resid 129  and name HA  ))
      6.000     4.500     0.000 peak  1683 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.634 ppm2      3.860 CV     1
 ASSI { 1684}
   (( segid "    " and resid 129  and name HN  ))
   (( segid "    " and resid 129  and name HB2 ))
      6.000     4.500     0.000 peak  1684 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.633 ppm2      3.172 CV     1
 ASSI { 1685}
   (( segid "    " and resid 129  and name HN  ))
   (( segid "    " and resid 129  and name HB1 ))
      6.000     4.500     0.000 peak  1685 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.631 ppm2      2.901 CV     1
 ASSI { 1688}
   (( segid "    " and resid 129  and name HN  ))
   (( segid "    " and resid 128  and name HG  ))
      6.000     4.500     0.000 peak  1688 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.635 ppm2      0.288 CV     1
 ASSI { 1689}
   (( segid "    " and resid 129  and name HN  ))
   (  segid "    " and resid 147  and name HD1%)
      6.000     4.500     0.000 peak  1689 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.633 ppm2     -0.463 CV     1
 ASSI { 1697}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 47   and name HA  ))
      6.000     4.500     0.000 peak  1697 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.516 ppm2      4.430 CV     1
 ASSI { 1699}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 46   and name HA1 ))
      6.000     4.500     0.000 peak  1699 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.517 ppm2      3.871 CV     1
 ASSI { 1701}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 48   and name HG1 ))
      6.000     4.500     0.000 peak  1701 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.515 ppm2      2.417 CV     1
 OR { 1701}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 48   and name HG2 ))
 ASSI { 1702}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 48   and name HB1 ))
      6.000     4.500     0.000 peak  1702 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.515 ppm2      2.259 CV     1
 ASSI { 1705}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 47   and name HD2 ))
      6.000     4.500     0.000 peak  1705 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.511 ppm2      3.677 CV     1
 OR { 1705}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 47   and name HD1 ))
 ASSI { 1711}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 49   and name HN  ))
      6.000     4.500     0.000 peak  1711 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.620 ppm2      8.509 CV     1
 ASSI { 1716}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 50   and name HA  ))
      6.000     4.500     0.000 peak  1716 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.621 ppm2      4.706 CV     1
 ASSI { 1717}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 49   and name HA  ))
      6.000     4.500     0.000 peak  1717 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.619 ppm2      4.608 CV     1
 ASSI { 1718}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 51   and name HA  ))
      6.000     4.500     0.000 peak  1718 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.616 ppm2      4.462 CV     1
 ASSI { 1720}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 51   and name HD1 ))
      6.000     4.500     0.000 peak  1720 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.625 ppm2      3.549 CV     1
 ASSI { 1721}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 49   and name HB2 ))
      6.000     4.500     0.000 peak  1721 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.617 ppm2      2.739 CV     1
 ASSI { 1722}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 49   and name HB1 ))
      6.000     4.500     0.000 peak  1722 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.620 ppm2      2.628 CV     1
 ASSI { 1723}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 50   and name HG1 ))
      6.000     4.500     0.000 peak  1723 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.619 ppm2      2.301 CV     1
 OR { 1723}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 50   and name HG2 ))
 ASSI { 1724}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 44   and name HB1 ))
      6.000     4.500     0.000 peak  1724 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.623 ppm2      2.181 CV     1
 OR { 1724}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 44   and name HB2 ))
 ASSI { 1726}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 44   and name HG1 ))
      6.000     4.500     0.000 peak  1726 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.620 ppm2      1.916 CV     1
 ASSI { 1733}
   (( segid "    " and resid 109  and name HN  ))
   (( segid "    " and resid 108  and name HN  ))
      6.000     4.500     0.000 peak  1733 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.874 ppm2      9.013 CV     1
 ASSI { 1734}
   (( segid "    " and resid 109  and name HN  ))
   (( segid "    " and resid 110  and name HN  ))
      6.000     4.500     0.000 peak  1734 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.871 ppm2      7.932 CV     1
 ASSI { 1736}
   (( segid "    " and resid 109  and name HN  ))
   (( segid "    " and resid 108  and name HA  ))
      6.000     4.500     0.000 peak  1736 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.874 ppm2      4.822 CV     1
 ASSI { 1737}
   (( segid "    " and resid 109  and name HN  ))
   (( segid "    " and resid 108  and name HB  ))
      6.000     4.500     0.000 peak  1737 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.872 ppm2      4.667 CV     1
 ASSI { 1739}
   (( segid "    " and resid 109  and name HN  ))
   (( segid "    " and resid 109  and name HA  ))
      6.000     4.500     0.000 peak  1739 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.874 ppm2      4.018 CV     1
 ASSI { 1740}
   (( segid "    " and resid 109  and name HN  ))
   (( segid "    " and resid 110  and name HB2 ))
      6.000     4.500     0.000 peak  1740 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.866 ppm2      1.355 CV     1
 ASSI { 1743}
   (( segid "    " and resid 129  and name HN  ))
   (  segid "    " and resid 128  and name HD2%)
      6.000     4.500     0.000 peak  1743 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.623 ppm2      0.571 CV     1
 OR { 1743}
   (( segid "    " and resid 129  and name HN  ))
   (  segid "    " and resid 128  and name HD1%)
 ASSI { 1744}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 102  and name HN  ))
      6.000     4.500     0.000 peak  1744 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.607 ppm2      8.387 CV     1
 ASSI { 1745}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 100  and name HN  ))
      6.000     4.500     0.000 peak  1745 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.608 ppm2      7.504 CV     1
 ASSI { 1746}
   (( segid "    " and resid 129  and name HN  ))
   (( segid "    " and resid 131  and name HN  ))
      6.000     4.500     0.000 peak  1746 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.610 ppm2      6.937 CV     1
 ASSI { 1747}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 59   and name HA  ))
      6.000     4.500     0.000 peak  1747 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.614 ppm2      4.815 CV     1
 ASSI { 1748}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 101  and name HA  ))
      6.000     4.500     0.000 peak  1748 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.608 ppm2      4.538 CV     1
 ASSI { 1756}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 5    and name HN  ))
      6.000     4.500     0.000 peak  1756 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.600 ppm2      9.540 CV     1
 ASSI { 1758}
   (( segid "    " and resid 4    and name HN  ))
   (  segid "    " and resid 4    and name HD% )
      6.000     4.500     0.000 peak  1758 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.600 ppm2      6.830 CV     1
 ASSI { 1760}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 3    and name HA  ))
      6.000     4.500     0.000 peak  1760 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.602 ppm2      4.964 CV     1
 ASSI { 1761}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 4    and name HB2 ))
      6.000     4.500     0.000 peak  1761 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.603 ppm2      2.731 CV     1
 OR { 1761}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 4    and name HB1 ))
 ASSI { 1764}
   (( segid "    " and resid 4    and name HN  ))
   (  segid "    " and resid 2    and name HG1%)
      6.000     4.500     0.000 peak  1764 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.599 ppm2      0.114 CV     1
 ASSI { 1765}
   (( segid "    " and resid 150  and name HN  ))
   (( segid "    " and resid 149  and name HN  ))
      6.000     4.500     0.000 peak  1765 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.849 ppm2      8.298 CV     1
 ASSI { 1769}
   (( segid "    " and resid 150  and name HN  ))
   (( segid "    " and resid 152  and name HN  ))
      6.000     4.500     0.000 peak  1769 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.852 ppm2      7.241 CV     1
 ASSI { 1772}
   (( segid "    " and resid 150  and name HN  ))
   (( segid "    " and resid 150  and name HA  ))
      6.000     4.500     0.000 peak  1772 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.849 ppm2      4.040 CV     1
 ASSI { 1773}
   (( segid "    " and resid 150  and name HN  ))
   (( segid "    " and resid 150  and name HD2 ))
      6.000     4.500     0.000 peak  1773 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.853 ppm2      3.114 CV     1
 ASSI { 1774}
   (( segid "    " and resid 150  and name HN  ))
   (( segid "    " and resid 150  and name HD1 ))
      6.000     4.500     0.000 peak  1774 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.851 ppm2      2.951 CV     1
 ASSI { 1776}
   (( segid "    " and resid 150  and name HN  ))
   (  segid "    " and resid 147  and name HD2%)
      6.000     4.500     0.000 peak  1776 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.852 ppm2     -0.544 CV     1
 ASSI { 1779}
   (( segid "    " and resid 150  and name HN  ))
   (( segid "    " and resid 149  and name HB  ))
      6.000     4.500     0.000 peak  1779 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.846 ppm2      4.183 CV     1
 ASSI { 1782}
   (( segid "    " and resid 150  and name HN  ))
   (( segid "    " and resid 150  and name HB1 ))
      6.000     4.500     0.000 peak  1782 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.847 ppm2      0.919 CV     1
 ASSI { 1784}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 73   and name HN  ))
      6.000     4.500     0.000 peak  1784 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.812 ppm2      9.276 CV     1
 ASSI { 1785}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 67   and name HN  ))
      6.000     4.500     0.000 peak  1785 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.810 ppm2      8.736 CV     1
 ASSI { 1788}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 68   and name HN  ))
      6.000     4.500     0.000 peak  1788 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.813 ppm2      6.881 CV     1
 ASSI { 1789}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 70   and name HA  ))
      6.000     4.500     0.000 peak  1789 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.813 ppm2      4.551 CV     1
 ASSI { 1790}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 67   and name HA  ))
      6.000     4.500     0.000 peak  1790 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.818 ppm2      3.642 CV     1
 ASSI { 1791}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 68   and name HG1 ))
      6.000     4.500     0.000 peak  1791 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.812 ppm2      2.378 CV     1
 OR { 1791}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 68   and name HG2 ))
 ASSI { 1793}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 70   and name HB2 ))
      6.000     4.500     0.000 peak  1793 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.811 ppm2      1.842 CV     1
 ASSI { 1797}
   (( segid "    " and resid 70   and name HN  ))
   (  segid "    " and resid 70   and name HD1%)
      6.000     4.500     0.000 peak  1797 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.813 ppm2      0.706 CV     1
 ASSI { 1798}
   (( segid "    " and resid 70   and name HN  ))
   (  segid "    " and resid 70   and name HD2%)
      6.000     4.500     0.000 peak  1798 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.812 ppm2      0.470 CV     1
 ASSI { 1801}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 71   and name HN  ))
      6.000     4.500     0.000 peak  1801 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.809 ppm2      7.683 CV     1
 ASSI { 1802}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 74   and name HN  ))
      6.000     4.500     0.000 peak  1802 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.791 ppm2      8.877 CV     1
 ASSI { 1804}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 48   and name HA  ))
      6.000     4.500     0.000 peak  1804 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.620 ppm2      4.244 CV     1
 ASSI { 1806}
   (( segid "    " and resid 121  and name HN  ))
   (( segid "    " and resid 118  and name HB2 ))
      6.000     4.500     0.000 peak  1806 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.043 ppm2      1.961 CV     1
 ASSI { 1808}
   (( segid "    " and resid 121  and name HN  ))
   (( segid "    " and resid 121  and name HA  ))
      6.000     4.500     0.000 peak  1808 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.038 ppm2      4.289 CV     1
 ASSI { 1817}
   (( segid "    " and resid 109  and name HN  ))
   (( segid "    " and resid 109  and name HB2 ))
      6.000     4.500     0.000 peak  1817 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.871 ppm2      2.031 CV     1
 OR { 1817}
   (( segid "    " and resid 109  and name HN  ))
   (( segid "    " and resid 109  and name HB1 ))
 ASSI { 1818}
   (( segid "    " and resid 109  and name HN  ))
   (  segid "    " and resid 108  and name HG2%)
      6.000     4.500     0.000 peak  1818 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.872 ppm2      1.202 CV     1
 ASSI { 1819}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 98   and name HA  ))
      6.000     4.500     0.000 peak  1819 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.606 ppm2      4.177 CV     1
 ASSI { 1821}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 4    and name HA  ))
      6.000     4.500     0.000 peak  1821 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.603 ppm2      5.609 CV     1
 ASSI { 1822}
   (( segid "    " and resid 150  and name HN  ))
   (( segid "    " and resid 148  and name HB2 ))
      6.000     4.500     0.000 peak  1822 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.843 ppm2      3.243 CV     1
 ASSI { 1823}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 66   and name HA  ))
      6.000     4.500     0.000 peak  1823 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.814 ppm2      3.338 CV     1
 ASSI { 1828}
   (( segid "    " and resid 121  and name HN  ))
   (( segid "    " and resid 122  and name HN  ))
      6.000     4.500     0.000 peak  1828 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.035 ppm2      9.299 CV     1
 ASSI { 1830}
   (( segid "    " and resid 121  and name HN  ))
   (( segid "    " and resid 120  and name HN  ))
      6.000     4.500     0.000 peak  1830 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.037 ppm2      7.504 CV     1
 ASSI { 1835}
   (( segid "    " and resid 121  and name HN  ))
   (( segid "    " and resid 124  and name HN  ))
      6.000     4.500     0.000 peak  1835 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.037 ppm2      6.500 CV     1
 ASSI { 1836}
   (( segid "    " and resid 121  and name HN  ))
   (( segid "    " and resid 120  and name HA  ))
      6.000     4.500     0.000 peak  1836 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.037 ppm2      5.016 CV     1
 ASSI { 1837}
   (( segid "    " and resid 121  and name HN  ))
   (( segid "    " and resid 120  and name HB2 ))
      6.000     4.500     0.000 peak  1837 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.040 ppm2      3.001 CV     1
 ASSI { 1839}
   (( segid "    " and resid 121  and name HN  ))
   (( segid "    " and resid 121  and name HG2 ))
      6.000     4.500     0.000 peak  1839 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.037 ppm2      1.394 CV     1
 ASSI { 1842}
   (( segid "    " and resid 121  and name HN  ))
   (  segid "    " and resid 125  and name HD1%)
      6.000     4.500     0.000 peak  1842 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.036 ppm2      0.470 CV     1
 ASSI { 1843}
   (( segid "    " and resid 121  and name HN  ))
   (( segid "    " and resid 125  and name HG  ))
      6.000     4.500     0.000 peak  1843 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.037 ppm2      0.338 CV     1
 ASSI { 1844}
   (( segid "    " and resid 121  and name HN  ))
   (( segid "    " and resid 121  and name HB1 ))
      6.000     4.500     0.000 peak  1844 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.037 ppm2     -0.393 CV     1
 ASSI { 1846}
   (( segid "    " and resid 122  and name HN  ))
   (( segid "    " and resid 122  and name HA2 ))
      6.000     4.500     0.000 peak  1846 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.311 ppm2      4.063 CV     1
 ASSI { 1849}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 18   and name HN  ))
      6.000     4.500     0.000 peak  1849 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.428 ppm2      8.539 CV     1
 ASSI { 1850}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 19   and name HD22))
      6.000     4.500     0.000 peak  1850 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.429 ppm2      6.843 CV     1
 ASSI { 1858}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 43   and name HA  ))
      6.000     4.500     0.000 peak  1858 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.995 ppm2      5.099 CV     1
 ASSI { 1859}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 51   and name HA  ))
      6.000     4.500     0.000 peak  1859 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.995 ppm2      4.442 CV     1
 ASSI { 1861}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 44   and name HD2 ))
      6.000     4.500     0.000 peak  1861 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.995 ppm2      3.941 CV     1
 ASSI { 1863}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 52   and name HB2 ))
      6.000     4.500     0.000 peak  1863 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.997 ppm2      2.727 CV     1
 ASSI { 1864}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 51   and name HB2 ))
      6.000     4.500     0.000 peak  1864 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.996 ppm2      2.352 CV     1
 ASSI { 1865}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 44   and name HB1 ))
      6.000     4.500     0.000 peak  1865 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.998 ppm2      2.198 CV     1
 OR { 1865}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 44   and name HB2 ))
 ASSI { 1866}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 51   and name HB1 ))
      6.000     4.500     0.000 peak  1866 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.997 ppm2      2.023 CV     1
 ASSI { 1867}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 44   and name HG1 ))
      6.000     4.500     0.000 peak  1867 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.998 ppm2      1.912 CV     1
 ASSI { 1870}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 41   and name HG1 ))
      6.000     4.500     0.000 peak  1870 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.987 ppm2      1.150 CV     1
 ASSI { 1875}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 74   and name HG1 ))
      6.000     4.500     0.000 peak  1875 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.732 ppm2      2.398 CV     1
 ASSI { 1877}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 73   and name HN  ))
      6.000     4.500     0.000 peak  1877 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.727 ppm2      9.288 CV     1
 ASSI { 1878}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 74   and name HN  ))
      6.000     4.500     0.000 peak  1878 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.728 ppm2      8.889 CV     1
 ASSI { 1879}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 71   and name HD22))
      6.000     4.500     0.000 peak  1879 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.728 ppm2      7.405 CV     1
 ASSI { 1881}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 70   and name HA  ))
      6.000     4.500     0.000 peak  1881 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.727 ppm2      4.524 CV     1
 ASSI { 1883}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 69   and name HA  ))
      6.000     4.500     0.000 peak  1883 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.725 ppm2      4.171 CV     1
 ASSI { 1886}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 72   and name HB2 ))
      6.000     4.500     0.000 peak  1886 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.730 ppm2      3.427 CV     1
 ASSI { 1887}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 72   and name HB1 ))
      6.000     4.500     0.000 peak  1887 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.728 ppm2      2.957 CV     1
 ASSI { 1889}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 71   and name HB1 ))
      6.000     4.500     0.000 peak  1889 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.729 ppm2      2.591 CV     1
 ASSI { 1892}
   (( segid "    " and resid 72   and name HN  ))
   (  segid "    " and resid 73   and name HG2%)
      6.000     4.500     0.000 peak  1892 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.726 ppm2      1.042 CV     1
 ASSI { 1893}
   (( segid "    " and resid 72   and name HN  ))
   (  segid "    " and resid 69   and name HD1%)
      6.000     4.500     0.000 peak  1893 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.725 ppm2      0.933 CV     1
 OR { 1893}
   (( segid "    " and resid 72   and name HN  ))
   (  segid "    " and resid 69   and name HD2%)
 ASSI { 1895}
   (( segid "    " and resid 72   and name HN  ))
   (  segid "    " and resid 28   and name HG2%)
      6.000     4.500     0.000 peak  1895 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.729 ppm2      0.603 CV     1
 ASSI { 1900}
   (( segid "    " and resid 122  and name HN  ))
   (( segid "    " and resid 121  and name HA  ))
      6.000     4.500     0.000 peak  1900 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.314 ppm2      4.279 CV     1
 ASSI { 1909}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 19   and name HD21))
      6.000     4.500     0.000 peak  1909 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.425 ppm2      7.387 CV     1
 ASSI { 1910}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 19   and name HA  ))
      6.000     4.500     0.000 peak  1910 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.431 ppm2      4.565 CV     1
 ASSI { 1911}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 16   and name HA  ))
      6.000     4.500     0.000 peak  1911 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.429 ppm2      4.086 CV     1
 ASSI { 1912}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 15   and name HA  ))
      6.000     4.500     0.000 peak  1912 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.428 ppm2      3.474 CV     1
 ASSI { 1913}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 18   and name HA  ))
      6.000     4.500     0.000 peak  1913 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.428 ppm2      3.335 CV     1
 ASSI { 1914}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 19   and name HB2 ))
      6.000     4.500     0.000 peak  1914 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.431 ppm2      2.881 CV     1
 ASSI { 1915}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 19   and name HB1 ))
      6.000     4.500     0.000 peak  1915 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.429 ppm2      2.674 CV     1
 ASSI { 1916}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 22   and name HB2 ))
      6.000     4.500     0.000 peak  1916 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.426 ppm2      2.091 CV     1
 ASSI { 1917}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 18   and name HB  ))
      6.000     4.500     0.000 peak  1917 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.429 ppm2      1.586 CV     1
 ASSI { 1918}
   (( segid "    " and resid 19   and name HN  ))
   (  segid "    " and resid 20   and name HB% )
      6.000     4.500     0.000 peak  1918 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.430 ppm2      1.533 CV     1
 ASSI { 1920}
   (( segid "    " and resid 19   and name HN  ))
   (  segid "    " and resid 18   and name HG2%)
      6.000     4.500     0.000 peak  1920 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.429 ppm2      0.649 CV     1
 ASSI { 1921}
   (( segid "    " and resid 19   and name HN  ))
   (  segid "    " and resid 18   and name HG1%)
      6.000     4.500     0.000 peak  1921 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.430 ppm2      0.309 CV     1
 ASSI { 1923}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 78   and name HN  ))
      6.000     4.500     0.000 peak  1923 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.298 ppm2      7.626 CV     1
 ASSI { 1924}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 77   and name HA  ))
      6.000     4.500     0.000 peak  1924 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.300 ppm2      3.700 CV     1
 ASSI { 1925}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 77   and name HG2 ))
      6.000     4.500     0.000 peak  1925 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.294 ppm2      2.845 CV     1
 ASSI { 1926}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 77   and name HG1 ))
      6.000     4.500     0.000 peak  1926 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.297 ppm2      2.034 CV     1
 ASSI { 1930}
   (( segid "    " and resid 77   and name HN  ))
   (  segid "    " and resid 76   and name HG2%)
      6.000     4.500     0.000 peak  1930 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.299 ppm2      0.845 CV     1
 ASSI { 1931}
   (( segid "    " and resid 77   and name HN  ))
   (  segid "    " and resid 94   and name HD2%)
      6.000     4.500     0.000 peak  1931 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.297 ppm2      0.756 CV     1
 OR { 1931}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 94   and name HG  ))
 ASSI { 1933}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 74   and name HA  ))
      6.000     4.500     0.000 peak  1933 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.288 ppm2      4.191 CV     1
 ASSI { 1934}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 77   and name HB2 ))
      6.000     4.500     0.000 peak  1934 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.289 ppm2      2.588 CV     1
 ASSI { 1936}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 53   and name HN  ))
      6.000     4.500     0.000 peak  1936 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.999 ppm2      8.735 CV     1
 ASSI { 1940}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 44   and name HD1 ))
      6.000     4.500     0.000 peak  1940 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.997 ppm2      3.749 CV     1
 ASSI { 1946}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 25   and name HN  ))
      6.000     4.500     0.000 peak  1946 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.322 ppm2      9.010 CV     1
 ASSI { 1948}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 26   and name HN  ))
      6.000     4.500     0.000 peak  1948 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.321 ppm2      7.577 CV     1
 ASSI { 1953}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 27   and name HA  ))
      6.000     4.500     0.000 peak  1953 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.321 ppm2      4.918 CV     1
 ASSI { 1954}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 24   and name HA  ))
      6.000     4.500     0.000 peak  1954 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.321 ppm2      4.183 CV     1
 ASSI { 1957}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 27   and name HB2 ))
      6.000     4.500     0.000 peak  1957 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.321 ppm2      2.913 CV     1
 ASSI { 1959}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 27   and name HB1 ))
      6.000     4.500     0.000 peak  1959 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.321 ppm2      2.572 CV     1
 ASSI { 1961}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 28   and name HG11))
      6.000     4.500     0.000 peak  1961 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.321 ppm2      2.087 CV     1
 OR { 1961}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 28   and name HG12))
 ASSI { 1962}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 25   and name HG  ))
      6.000     4.500     0.000 peak  1962 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.316 ppm2      1.936 CV     1
 ASSI { 1964}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 25   and name HB1 ))
      6.000     4.500     0.000 peak  1964 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.320 ppm2      1.249 CV     1
 ASSI { 1968}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 80   and name HB1 ))
      6.000     4.500     0.000 peak  1968 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.619 ppm2      2.317 CV     1
 OR { 1968}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 80   and name HB2 ))
 ASSI { 1970}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 77   and name HN  ))
      6.000     4.500     0.000 peak  1970 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.613 ppm2      8.294 CV     1
 ASSI { 1971}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 78   and name HN  ))
      6.000     4.500     0.000 peak  1971 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.611 ppm2      7.633 CV     1
 ASSI { 1972}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 79   and name HA  ))
      6.000     4.500     0.000 peak  1972 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.611 ppm2      4.167 CV     1
 ASSI { 1973}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 76   and name HA  ))
      6.000     4.500     0.000 peak  1973 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.610 ppm2      3.748 CV     1
 ASSI { 1974}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 79   and name HG2 ))
      6.000     4.500     0.000 peak  1974 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.615 ppm2      2.616 CV     1
 ASSI { 1975}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 79   and name HG1 ))
      6.000     4.500     0.000 peak  1975 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.613 ppm2      2.466 CV     1
 ASSI { 1976}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 79   and name HB2 ))
      6.000     4.500     0.000 peak  1976 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.611 ppm2      2.179 CV     1
 ASSI { 1977}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 78   and name HG  ))
      6.000     4.500     0.000 peak  1977 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.607 ppm2      1.733 CV     1
 ASSI { 1978}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 78   and name HB1 ))
      6.000     4.500     0.000 peak  1978 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.615 ppm2      1.540 CV     1
 ASSI { 1981}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 20   and name HN  ))
      6.000     4.500     0.000 peak  1981 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.568 ppm2      8.199 CV     1
 ASSI { 1982}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 19   and name HA  ))
      6.000     4.500     0.000 peak  1982 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.565 ppm2      4.564 CV     1
 ASSI { 1986}
   (( segid "    " and resid 22   and name HN  ))
   (  segid "    " and resid 7    and name HD1%)
      6.000     4.500     0.000 peak  1986 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.565 ppm2      0.691 CV     1
 ASSI { 1988}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 24   and name HN  ))
      6.000     4.500     0.000 peak  1988 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.558 ppm2      7.885 CV     1
 ASSI { 1989}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 23   and name HN  ))
      6.000     4.500     0.000 peak  1989 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.563 ppm2      7.747 CV     1
 ASSI { 1991}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 18   and name HA  ))
      6.000     4.500     0.000 peak  1991 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.564 ppm2      3.336 CV     1
 ASSI { 1992}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 22   and name HB2 ))
      6.000     4.500     0.000 peak  1992 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.564 ppm2      2.084 CV     1
 ASSI { 1993}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 22   and name HG  ))
      6.000     4.500     0.000 peak  1993 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.564 ppm2      1.842 CV     1
 ASSI { 1995}
   (( segid "    " and resid 22   and name HN  ))
   (  segid "    " and resid 22   and name HD2%)
      6.000     4.500     0.000 peak  1995 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.563 ppm2      1.093 CV     1
 ASSI { 1996}
   (( segid "    " and resid 22   and name HN  ))
   (  segid "    " and resid 18   and name HG1%)
      6.000     4.500     0.000 peak  1996 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.560 ppm2      0.291 CV     1
 ASSI { 2005}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 20   and name HA  ))
      6.000     4.500     0.000 peak  2005 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.419 ppm2      4.195 CV     1
 ASSI { 2018}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 67   and name HN  ))
      6.000     4.500     0.000 peak  2018 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.876 ppm2      8.723 CV     1
 ASSI { 2025}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 68   and name HA  ))
      6.000     4.500     0.000 peak  2025 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.875 ppm2      4.320 CV     1
 ASSI { 2026}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 69   and name HA  ))
      6.000     4.500     0.000 peak  2026 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.874 ppm2      4.188 CV     1
 ASSI { 2027}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 67   and name HA  ))
      6.000     4.500     0.000 peak  2027 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.873 ppm2      3.630 CV     1
 ASSI { 2028}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 66   and name HA  ))
      6.000     4.500     0.000 peak  2028 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.876 ppm2      3.355 CV     1
 ASSI { 2029}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 68   and name HG1 ))
      6.000     4.500     0.000 peak  2029 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.874 ppm2      2.394 CV     1
 OR { 2029}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 68   and name HG2 ))
 ASSI { 2030}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 68   and name HB2 ))
      6.000     4.500     0.000 peak  2030 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.875 ppm2      2.173 CV     1
 ASSI { 2031}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 67   and name HB2 ))
      6.000     4.500     0.000 peak  2031 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.876 ppm2      1.834 CV     1
 OR { 2031}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 67   and name HB1 ))
 ASSI { 2033}
   (( segid "    " and resid 68   and name HN  ))
   (  segid "    " and resid 65   and name HB% )
      6.000     4.500     0.000 peak  2033 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.875 ppm2      1.439 CV     1
 ASSI { 2034}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 69   and name HB1 ))
      6.000     4.500     0.000 peak  2034 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.876 ppm2      1.298 CV     1
 ASSI { 2039}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 71   and name HD22))
      6.000     4.500     0.000 peak  2039 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.867 ppm2      7.444 CV     1
 ASSI { 2050}
   (( segid "    " and resid 104  and name HN  ))
   (( segid "    " and resid 103  and name HA  ))
      6.000     4.500     0.000 peak  2050 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.332 ppm2      5.174 CV     1
 ASSI { 2052}
   (( segid "    " and resid 104  and name HN  ))
   (( segid "    " and resid 105  and name HA  ))
      6.000     4.500     0.000 peak  2052 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.331 ppm2      4.679 CV     1
 ASSI { 2054}
   (( segid "    " and resid 104  and name HN  ))
   (( segid "    " and resid 104  and name HA  ))
      6.000     4.500     0.000 peak  2054 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.332 ppm2      4.246 CV     1
 ASSI { 2055}
   (( segid "    " and resid 104  and name HN  ))
   (( segid "    " and resid 102  and name HA1 ))
      6.000     4.500     0.000 peak  2055 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.332 ppm2      3.863 CV     1
 OR { 2055}
   (( segid "    " and resid 104  and name HN  ))
   (( segid "    " and resid 102  and name HA2 ))
 ASSI { 2056}
   (( segid "    " and resid 104  and name HN  ))
   (( segid "    " and resid 101  and name HB2 ))
      6.000     4.500     0.000 peak  2056 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.335 ppm2      3.303 CV     1
 ASSI { 2057}
   (( segid "    " and resid 104  and name HN  ))
   (( segid "    " and resid 103  and name HB1 ))
      6.000     4.500     0.000 peak  2057 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.333 ppm2      2.990 CV     1
 ASSI { 2058}
   (( segid "    " and resid 104  and name HN  ))
   (( segid "    " and resid 104  and name HG2 ))
      6.000     4.500     0.000 peak  2058 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.332 ppm2      2.511 CV     1
 ASSI { 2059}
   (( segid "    " and resid 104  and name HN  ))
   (( segid "    " and resid 104  and name HB1 ))
      6.000     4.500     0.000 peak  2059 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.332 ppm2      2.380 CV     1
 ASSI { 2060}
   (( segid "    " and resid 104  and name HN  ))
   (( segid "    " and resid 104  and name HB2 ))
      6.000     4.500     0.000 peak  2060 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.331 ppm2      2.167 CV     1
 ASSI { 2063}
   (( segid "    " and resid 104  and name HN  ))
   (  segid "    " and resid 106  and name HD1%)
      6.000     4.500     0.000 peak  2063 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.333 ppm2      0.621 CV     1
 ASSI { 2068}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 65   and name HA  ))
      6.000     4.500     0.000 peak  2068 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.879 ppm2      4.594 CV     1
 ASSI { 2069}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 66   and name HB1 ))
      6.000     4.500     0.000 peak  2069 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.877 ppm2      0.537 CV     1
 ASSI { 2075}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 14   and name HG2 ))
      6.000     4.500     0.000 peak  2075 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.738 ppm2      2.012 CV     1
 OR { 2075}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 14   and name HG1 ))
 ASSI { 2077}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 42   and name HN  ))
      6.000     4.500     0.000 peak  2077 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.730 ppm2      9.606 CV     1
 ASSI { 2080}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 43   and name HA  ))
      6.000     4.500     0.000 peak  2080 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.728 ppm2      5.105 CV     1
 ASSI { 2082}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 44   and name HA  ))
      6.000     4.500     0.000 peak  2082 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.727 ppm2      4.397 CV     1
 ASSI { 2083}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 42   and name HB  ))
      6.000     4.500     0.000 peak  2083 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.728 ppm2      4.165 CV     1
 ASSI { 2084}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 44   and name HD2 ))
      6.000     4.500     0.000 peak  2084 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.733 ppm2      3.952 CV     1
 ASSI { 2085}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 52   and name HB2 ))
      6.000     4.500     0.000 peak  2085 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.731 ppm2      2.743 CV     1
 ASSI { 2087}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 52   and name HB1 ))
      6.000     4.500     0.000 peak  2087 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.731 ppm2      2.442 CV     1
 ASSI { 2097}
   (( segid "    " and resid 53   and name HN  ))
   (  segid "    " and resid 42   and name HG2%)
      6.000     4.500     0.000 peak  2097 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.738 ppm2      1.245 CV     1
 ASSI { 2114}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 7    and name HN  ))
      6.000     4.500     0.000 peak  2114 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.153 ppm2      8.820 CV     1
 ASSI { 2115}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 59   and name HN  ))
      6.000     4.500     0.000 peak  2115 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.156 ppm2      8.602 CV     1
 ASSI { 2116}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 57   and name HA  ))
      6.000     4.500     0.000 peak  2116 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.154 ppm2      5.659 CV     1
 ASSI { 2117}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 6    and name HA  ))
      6.000     4.500     0.000 peak  2117 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.155 ppm2      5.044 CV     1
 ASSI { 2119}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 59   and name HA  ))
      6.000     4.500     0.000 peak  2119 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.162 ppm2      4.820 CV     1
 ASSI { 2120}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 58   and name HB  ))
      6.000     4.500     0.000 peak  2120 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.153 ppm2      1.959 CV     1
 ASSI { 2124}
   (( segid "    " and resid 58   and name HN  ))
   (  segid "    " and resid 57   and name HB% )
      6.000     4.500     0.000 peak  2124 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.155 ppm2      1.343 CV     1
 ASSI { 2127}
   (( segid "    " and resid 58   and name HN  ))
   (  segid "    " and resid 58   and name HG2%)
      6.000     4.500     0.000 peak  2127 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.155 ppm2      0.971 CV     1
 OR { 2127}
   (( segid "    " and resid 58   and name HN  ))
   (  segid "    " and resid 58   and name HG1%)
 ASSI { 2131}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 60   and name HN  ))
      6.000     4.500     0.000 peak  2131 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.144 ppm2      9.300 CV     1
 ASSI { 2133}
   (( segid "    " and resid 126  and name HN  ))
   (( segid "    " and resid 128  and name HB1 ))
      6.000     4.500     0.000 peak  2133 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.728 ppm2      1.194 CV     1
 ASSI { 2134}
   (( segid "    " and resid 87   and name HN  ))
   (( segid "    " and resid 84   and name HB1 ))
      6.000     4.500     0.000 peak  2134 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.464 ppm2      1.280 CV     1
 ASSI { 2142}
   (( segid "    " and resid 152  and name HN  ))
   (( segid "    " and resid 152  and name HA  ))
      6.000     4.500     0.000 peak  2142 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.255 ppm2      4.633 CV     1
 ASSI { 2144}
   (( segid "    " and resid 152  and name HN  ))
   (( segid "    " and resid 151  and name HA  ))
      6.000     4.500     0.000 peak  2144 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.254 ppm2      4.098 CV     1
 ASSI { 2146}
   (( segid "    " and resid 152  and name HN  ))
   (( segid "    " and resid 147  and name HA  ))
      6.000     4.500     0.000 peak  2146 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.256 ppm2      3.683 CV     1
 ASSI { 2147}
   (( segid "    " and resid 152  and name HN  ))
   (( segid "    " and resid 152  and name HB1 ))
      6.000     4.500     0.000 peak  2147 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.255 ppm2      2.701 CV     1
 ASSI { 2148}
   (( segid "    " and resid 152  and name HN  ))
   (  segid "    " and resid 151  and name HB% )
      6.000     4.500     0.000 peak  2148 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.255 ppm2      1.214 CV     1
 ASSI { 2149}
   (( segid "    " and resid 152  and name HN  ))
   (( segid "    " and resid 155  and name HG  ))
      6.000     4.500     0.000 peak  2149 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.256 ppm2      0.929 CV     1
 ASSI { 2156}
   (( segid "    " and resid 124  and name HN  ))
   (( segid "    " and resid 122  and name HA1 ))
      6.000     4.500     0.000 peak  2156 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.507 ppm2      2.790 CV     1
 ASSI { 2157}
   (( segid "    " and resid 124  and name HN  ))
   (( segid "    " and resid 126  and name HN  ))
      6.000     4.500     0.000 peak  2157 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.497 ppm2      8.737 CV     1
 ASSI { 2158}
   (( segid "    " and resid 124  and name HN  ))
   (( segid "    " and resid 125  and name HN  ))
      6.000     4.500     0.000 peak  2158 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.502 ppm2      7.481 CV     1
 ASSI { 2160}
   (( segid "    " and resid 124  and name HN  ))
   (( segid "    " and resid 123  and name HN  ))
      6.000     4.500     0.000 peak  2160 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.499 ppm2      7.037 CV     1
 ASSI { 2161}
   (( segid "    " and resid 124  and name HN  ))
   (( segid "    " and resid 124  and name HA  ))
      6.000     4.500     0.000 peak  2161 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.502 ppm2      4.386 CV     1
 ASSI { 2162}
   (( segid "    " and resid 124  and name HN  ))
   (( segid "    " and resid 122  and name HA2 ))
      6.000     4.500     0.000 peak  2162 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.501 ppm2      4.064 CV     1
 ASSI { 2164}
   (( segid "    " and resid 124  and name HN  ))
   (( segid "    " and resid 123  and name HB1 ))
      6.000     4.500     0.000 peak  2164 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.496 ppm2      2.893 CV     1
 ASSI { 2172}
   (( segid "    " and resid 124  and name HN  ))
   (( segid "    " and resid 121  and name HD1 ))
      6.000     4.500     0.000 peak  2172 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.492 ppm2      2.444 CV     1
 ASSI { 2174}
   (( segid "    " and resid 124  and name HN  ))
   (( segid "    " and resid 125  and name HG  ))
      6.000     4.500     0.000 peak  2174 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.479 ppm2      0.345 CV     1
 ASSI { 2177}
   (( segid "    " and resid 126  and name HN  ))
   (( segid "    " and resid 129  and name HN  ))
      6.000     4.500     0.000 peak  2177 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.735 ppm2      8.602 CV     1
 ASSI { 2178}
   (( segid "    " and resid 126  and name HN  ))
   (( segid "    " and resid 122  and name HA1 ))
      6.000     4.500     0.000 peak  2178 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.735 ppm2      2.821 CV     1
 ASSI { 2179}
   (( segid "    " and resid 126  and name HN  ))
   (( segid "    " and resid 125  and name HG  ))
      6.000     4.500     0.000 peak  2179 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.736 ppm2      0.338 CV     1
 ASSI { 2180}
   (( segid "    " and resid 126  and name HN  ))
   (( segid "    " and resid 125  and name HN  ))
      6.000     4.500     0.000 peak  2180 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.731 ppm2      7.474 CV     1
 ASSI { 2186}
   (( segid "    " and resid 126  and name HN  ))
   (( segid "    " and resid 126  and name HA  ))
      6.000     4.500     0.000 peak  2186 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.730 ppm2      4.764 CV     1
 ASSI { 2188}
   (( segid "    " and resid 126  and name HN  ))
   (( segid "    " and resid 122  and name HA2 ))
      6.000     4.500     0.000 peak  2188 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.729 ppm2      4.072 CV     1
 ASSI { 2189}
   (( segid "    " and resid 126  and name HN  ))
   (( segid "    " and resid 125  and name HA  ))
      6.000     4.500     0.000 peak  2189 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.728 ppm2      3.832 CV     1
 ASSI { 2191}
   (( segid "    " and resid 126  and name HN  ))
   (( segid "    " and resid 126  and name HB1 ))
      6.000     4.500     0.000 peak  2191 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.730 ppm2      2.977 CV     1
 ASSI { 2192}
   (( segid "    " and resid 126  and name HN  ))
   (( segid "    " and resid 127  and name HG2 ))
      6.000     4.500     0.000 peak  2192 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.728 ppm2      2.021 CV     1
 ASSI { 2193}
   (( segid "    " and resid 126  and name HN  ))
   (( segid "    " and resid 127  and name HB1 ))
      6.000     4.500     0.000 peak  2193 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.725 ppm2      1.936 CV     1
 ASSI { 2196}
   (( segid "    " and resid 126  and name HN  ))
   (( segid "    " and resid 127  and name HG1 ))
      6.000     4.500     0.000 peak  2196 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.730 ppm2      1.447 CV     1
 ASSI { 2197}
   (( segid "    " and resid 126  and name HN  ))
   (( segid "    " and resid 125  and name HB2 ))
      6.000     4.500     0.000 peak  2197 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.726 ppm2      1.066 CV     1
 ASSI { 2198}
   (( segid "    " and resid 126  and name HN  ))
   (( segid "    " and resid 125  and name HB1 ))
      6.000     4.500     0.000 peak  2198 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.732 ppm2      0.931 CV     1
 ASSI { 2201}
   (( segid "    " and resid 126  and name HN  ))
   (  segid "    " and resid 125  and name HD1%)
      6.000     4.500     0.000 peak  2201 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.732 ppm2      0.450 CV     1
 ASSI { 2202}
   (( segid "    " and resid 126  and name HN  ))
   (  segid "    " and resid 147  and name HD2%)
      6.000     4.500     0.000 peak  2202 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.732 ppm2     -0.550 CV     1
 ASSI { 2203}
   (( segid "    " and resid 126  and name HN  ))
   (( segid "    " and resid 126  and name HD1 ))
      6.000     4.500     0.000 peak  2203 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.720 ppm2      6.778 CV     1
 ASSI { 2204}
   (( segid "    " and resid 87   and name HN  ))
   (( segid "    " and resid 87   and name HB2 ))
      6.000     4.500     0.000 peak  2204 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.460 ppm2      2.011 CV     1
 ASSI { 2206}
   (( segid "    " and resid 87   and name HN  ))
   (( segid "    " and resid 87   and name HA  ))
      6.000     4.500     0.000 peak  2206 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.455 ppm2      4.065 CV     1
 ASSI { 2207}
   (( segid "    " and resid 87   and name HN  ))
   (( segid "    " and resid 87   and name HG1 ))
      6.000     4.500     0.000 peak  2207 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.452 ppm2      2.209 CV     1
 OR { 2207}
   (( segid "    " and resid 87   and name HN  ))
   (( segid "    " and resid 87   and name HG2 ))
 ASSI { 2208}
   (( segid "    " and resid 87   and name HN  ))
   (  segid "    " and resid 86   and name HB% )
      6.000     4.500     0.000 peak  2208 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.457 ppm2      1.418 CV     1
 ASSI { 2217}
   (( segid "    " and resid 152  and name HN  ))
   (( segid "    " and resid 152  and name HB2 ))
      6.000     4.500     0.000 peak  2217 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.255 ppm2      3.392 CV     1
 ASSI { 2220}
   (( segid "    " and resid 152  and name HN  ))
   (  segid "    " and resid 147  and name HD2%)
      6.000     4.500     0.000 peak  2220 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.257 ppm2     -0.549 CV     1
 ASSI { 2226}
   (( segid "    " and resid 124  and name HN  ))
   (( segid "    " and resid 124  and name HB2 ))
      6.000     4.500     0.000 peak  2226 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.497 ppm2      2.115 CV     1
 OR { 2226}
   (( segid "    " and resid 124  and name HN  ))
   (( segid "    " and resid 124  and name HB1 ))
 ASSI { 2227}
   (( segid "    " and resid 124  and name HN  ))
   (  segid "    " and resid 125  and name HD1%)
      6.000     4.500     0.000 peak  2227 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.501 ppm2      0.461 CV     1
 ASSI { 2229}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 8    and name HA1 ))
      6.000     4.500     0.000 peak  2229 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.546 ppm2      5.738 CV     1
 ASSI { 2230}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 8    and name HA2 ))
      6.000     4.500     0.000 peak  2230 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.544 ppm2      3.765 CV     1
 ASSI { 2231}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 55   and name HB1 ))
      6.000     4.500     0.000 peak  2231 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.544 ppm2      3.144 CV     1
 ASSI { 2233}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 54   and name HN  ))
      6.000     4.500     0.000 peak  2233 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.533 ppm2      8.701 CV     1
 ASSI { 2239}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 68   and name HN  ))
      6.000     4.500     0.000 peak  2239 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.687 ppm2      6.891 CV     1
 ASSI { 2243}
   (( segid "    " and resid 130  and name HN  ))
   (( segid "    " and resid 131  and name HN  ))
      6.000     4.500     0.000 peak  2243 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.618 ppm2      6.914 CV     1
 ASSI { 2246}
   (( segid "    " and resid 130  and name HN  ))
   (( segid "    " and resid 129  and name HB2 ))
      6.000     4.500     0.000 peak  2246 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.619 ppm2      3.157 CV     1
 ASSI { 2247}
   (( segid "    " and resid 130  and name HN  ))
   (( segid "    " and resid 130  and name HB2 ))
      6.000     4.500     0.000 peak  2247 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.618 ppm2      2.621 CV     1
 ASSI { 2248}
   (( segid "    " and resid 130  and name HN  ))
   (( segid "    " and resid 130  and name HB1 ))
      6.000     4.500     0.000 peak  2248 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.617 ppm2      2.283 CV     1
 OR { 2248}
   (( segid "    " and resid 130  and name HN  ))
   (( segid "    " and resid 130  and name HG1 ))
 ASSI { 2250}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 78   and name HG  ))
      6.000     4.500     0.000 peak  2250 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.621 ppm2      1.723 CV     1
 ASSI { 2251}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 78   and name HB1 ))
      6.000     4.500     0.000 peak  2251 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.620 ppm2      1.552 CV     1
 ASSI { 2254}
   (( segid "    " and resid 147  and name HN  ))
   (( segid "    " and resid 148  and name HA  ))
      6.000     4.500     0.000 peak  2254 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.435 ppm2      4.454 CV     1
 ASSI { 2257}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 8    and name HN  ))
      6.000     4.500     0.000 peak  2257 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.541 ppm2      8.786 CV     1
 ASSI { 2261}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 73   and name HN  ))
      6.000     4.500     0.000 peak  2261 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.686 ppm2      9.284 CV     1
 ASSI { 2262}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 69   and name HN  ))
      6.000     4.500     0.000 peak  2262 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.685 ppm2      8.164 CV     1
 ASSI { 2265}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 71   and name HD22))
      6.000     4.500     0.000 peak  2265 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.685 ppm2      7.430 CV     1
 ASSI { 2266}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 71   and name HD21))
      6.000     4.500     0.000 peak  2266 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.683 ppm2      7.194 CV     1
 ASSI { 2269}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 70   and name HA  ))
      6.000     4.500     0.000 peak  2269 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.686 ppm2      4.557 CV     1
 ASSI { 2271}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 67   and name HA  ))
      6.000     4.500     0.000 peak  2271 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.689 ppm2      3.626 CV     1
 ASSI { 2272}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 72   and name HB2 ))
      6.000     4.500     0.000 peak  2272 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.684 ppm2      3.395 CV     1
 ASSI { 2273}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 71   and name HB2 ))
      6.000     4.500     0.000 peak  2273 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.687 ppm2      3.057 CV     1
 ASSI { 2274}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 71   and name HB1 ))
      6.000     4.500     0.000 peak  2274 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.686 ppm2      2.595 CV     1
 ASSI { 2280}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 70   and name HB1 ))
      6.000     4.500     0.000 peak  2280 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.690 ppm2      0.995 CV     1
 ASSI { 2281}
   (( segid "    " and resid 71   and name HN  ))
   (  segid "    " and resid 70   and name HD1%)
      6.000     4.500     0.000 peak  2281 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.687 ppm2      0.699 CV     1
 ASSI { 2282}
   (( segid "    " and resid 71   and name HN  ))
   (  segid "    " and resid 70   and name HD2%)
      6.000     4.500     0.000 peak  2282 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.685 ppm2      0.464 CV     1
 ASSI { 2287}
   (( segid "    " and resid 130  and name HN  ))
   (( segid "    " and resid 128  and name HN  ))
      6.000     4.500     0.000 peak  2287 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.618 ppm2      6.531 CV     1
 ASSI { 2291}
   (( segid "    " and resid 130  and name HN  ))
   (( segid "    " and resid 128  and name HB1 ))
      6.000     4.500     0.000 peak  2291 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.620 ppm2      1.214 CV     1
 ASSI { 2293}
   (( segid "    " and resid 130  and name HN  ))
   (( segid "    " and resid 129  and name HB1 ))
      6.000     4.500     0.000 peak  2293 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.611 ppm2      2.904 CV     1
 ASSI { 2295}
   (( segid "    " and resid 147  and name HN  ))
   (( segid "    " and resid 149  and name HN  ))
      6.000     4.500     0.000 peak  2295 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.435 ppm2      8.307 CV     1
 ASSI { 2297}
   (( segid "    " and resid 147  and name HN  ))
   (  segid "    " and resid 129  and name HD% )
      6.000     4.500     0.000 peak  2297 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.432 ppm2      7.189 CV     1
 ASSI { 2299}
   (( segid "    " and resid 147  and name HN  ))
   (( segid "    " and resid 148  and name HN  ))
      6.000     4.500     0.000 peak  2299 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.430 ppm2      7.565 CV     1
 ASSI { 2301}
   (( segid "    " and resid 147  and name HN  ))
   (( segid "    " and resid 145  and name HN  ))
      6.000     4.500     0.000 peak  2301 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.429 ppm2      6.730 CV     1
 ASSI { 2302}
   (( segid "    " and resid 147  and name HN  ))
   (( segid "    " and resid 145  and name HA  ))
      6.000     4.500     0.000 peak  2302 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.426 ppm2      4.234 CV     1
 ASSI { 2303}
   (( segid "    " and resid 147  and name HN  ))
   (( segid "    " and resid 143  and name HA  ))
      6.000     4.500     0.000 peak  2303 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.424 ppm2      4.089 CV     1
 ASSI { 2304}
   (( segid "    " and resid 147  and name HN  ))
   (( segid "    " and resid 147  and name HA  ))
      6.000     4.500     0.000 peak  2304 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.430 ppm2      3.671 CV     1
 ASSI { 2305}
   (( segid "    " and resid 147  and name HN  ))
   (( segid "    " and resid 144  and name HA  ))
      6.000     4.500     0.000 peak  2305 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.429 ppm2      3.522 CV     1
 ASSI { 2308}
   (( segid "    " and resid 147  and name HN  ))
   (( segid "    " and resid 145  and name HG1 ))
      6.000     4.500     0.000 peak  2308 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.423 ppm2      2.473 CV     1
 ASSI { 2310}
   (( segid "    " and resid 147  and name HN  ))
   (( segid "    " and resid 146  and name HB  ))
      6.000     4.500     0.000 peak  2310 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.428 ppm2      1.798 CV     1
 ASSI { 2311}
   (( segid "    " and resid 147  and name HN  ))
   (( segid "    " and resid 146  and name HG12))
      6.000     4.500     0.000 peak  2311 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.430 ppm2      1.572 CV     1
 ASSI { 2313}
   (( segid "    " and resid 147  and name HN  ))
   (( segid "    " and resid 147  and name HB2 ))
      6.000     4.500     0.000 peak  2313 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.428 ppm2      1.092 CV     1
 ASSI { 2314}
   (( segid "    " and resid 147  and name HN  ))
   (( segid "    " and resid 147  and name HG  ))
      6.000     4.500     0.000 peak  2314 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.429 ppm2      0.892 CV     1
 ASSI { 2315}
   (( segid "    " and resid 147  and name HN  ))
   (  segid "    " and resid 146  and name HG2%)
      6.000     4.500     0.000 peak  2315 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.429 ppm2      0.721 CV     1
 ASSI { 2316}
   (( segid "    " and resid 147  and name HN  ))
   (  segid "    " and resid 125  and name HD1%)
      6.000     4.500     0.000 peak  2316 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.428 ppm2      0.474 CV     1
 ASSI { 2319}
   (( segid "    " and resid 147  and name HN  ))
   (  segid "    " and resid 147  and name HD1%)
      6.000     4.500     0.000 peak  2319 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.429 ppm2     -0.492 CV     1
 ASSI { 2320}
   (( segid "    " and resid 147  and name HN  ))
   (  segid "    " and resid 147  and name HD2%)
      6.000     4.500     0.000 peak  2320 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.429 ppm2     -0.535 CV     1
 ASSI { 2326}
   (( segid "    " and resid 144  and name HN  ))
   (( segid "    " and resid 145  and name HA  ))
      6.000     4.500     0.000 peak  2326 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.589 ppm2      4.250 CV     1
 ASSI { 2330}
   (( segid "    " and resid 93   and name HN  ))
   (( segid "    " and resid 93   and name HA  ))
      6.000     4.500     0.000 peak  2330 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.897 ppm2      4.414 CV     1
 ASSI { 2332}
   (( segid "    " and resid 93   and name HN  ))
   (( segid "    " and resid 11   and name HG  ))
      6.000     4.500     0.000 peak  2332 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.892 ppm2      0.869 CV     1
 ASSI { 2338}
   (( segid "    " and resid 93   and name HN  ))
   (  segid "    " and resid 93   and name HG2%)
      6.000     4.500     0.000 peak  2338 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.887 ppm2      1.162 CV     1
 ASSI { 2347}
   (( segid "    " and resid 144  and name HN  ))
   (  segid "    " and resid 129  and name HD% )
      6.000     4.500     0.000 peak  2347 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.594 ppm2      7.226 CV     1
 ASSI { 2348}
   (( segid "    " and resid 144  and name HN  ))
   (( segid "    " and resid 142  and name HA  ))
      6.000     4.500     0.000 peak  2348 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.594 ppm2      4.819 CV     1
 ASSI { 2349}
   (( segid "    " and resid 144  and name HN  ))
   (( segid "    " and resid 143  and name HA  ))
      6.000     4.500     0.000 peak  2349 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.595 ppm2      4.076 CV     1
 ASSI { 2350}
   (( segid "    " and resid 144  and name HN  ))
   (( segid "    " and resid 144  and name HA  ))
      6.000     4.500     0.000 peak  2350 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.595 ppm2      3.521 CV     1
 ASSI { 2351}
   (( segid "    " and resid 144  and name HN  ))
   (( segid "    " and resid 144  and name HD1 ))
      6.000     4.500     0.000 peak  2351 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.598 ppm2      3.262 CV     1
 OR { 2351}
   (( segid "    " and resid 144  and name HN  ))
   (( segid "    " and resid 144  and name HD2 ))
 ASSI { 2352}
   (( segid "    " and resid 144  and name HN  ))
   (( segid "    " and resid 143  and name HB1 ))
      6.000     4.500     0.000 peak  2352 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.598 ppm2      1.374 CV     1
 ASSI { 2354}
   (( segid "    " and resid 144  and name HN  ))
   (( segid "    " and resid 142  and name HN  ))
      6.000     4.500     0.000 peak  2354 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.592 ppm2      9.255 CV     1
 ASSI { 2355}
   (( segid "    " and resid 144  and name HN  ))
   (( segid "    " and resid 143  and name HN  ))
      6.000     4.500     0.000 peak  2355 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.592 ppm2      8.410 CV     1
 ASSI { 2356}
   (( segid "    " and resid 144  and name HN  ))
   (( segid "    " and resid 146  and name HN  ))
      6.000     4.500     0.000 peak  2356 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.585 ppm2      7.879 CV     1
 ASSI { 2359}
   (( segid "    " and resid 144  and name HN  ))
   (( segid "    " and resid 145  and name HN  ))
      6.000     4.500     0.000 peak  2359 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.589 ppm2      6.741 CV     1
 ASSI { 2362}
   (( segid "    " and resid 144  and name HN  ))
   (( segid "    " and resid 142  and name HG2 ))
      6.000     4.500     0.000 peak  2362 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.592 ppm2      2.788 CV     1
 ASSI { 2363}
   (( segid "    " and resid 144  and name HN  ))
   (( segid "    " and resid 142  and name HG1 ))
      6.000     4.500     0.000 peak  2363 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.589 ppm2      2.657 CV     1
 ASSI { 2365}
   (( segid "    " and resid 144  and name HN  ))
   (( segid "    " and resid 144  and name HB2 ))
      6.000     4.500     0.000 peak  2365 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.592 ppm2      2.132 CV     1
 ASSI { 2366}
   (( segid "    " and resid 144  and name HN  ))
   (( segid "    " and resid 144  and name HB1 ))
      6.000     4.500     0.000 peak  2366 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.592 ppm2      1.795 CV     1
 ASSI { 2367}
   (( segid "    " and resid 144  and name HN  ))
   (( segid "    " and resid 144  and name HG2 ))
      6.000     4.500     0.000 peak  2367 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.591 ppm2      1.592 CV     1
 ASSI { 2368}
   (( segid "    " and resid 144  and name HN  ))
   (( segid "    " and resid 147  and name HB2 ))
      6.000     4.500     0.000 peak  2368 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.589 ppm2      1.063 CV     1
 ASSI { 2369}
   (( segid "    " and resid 144  and name HN  ))
   (( segid "    " and resid 143  and name HG  ))
      6.000     4.500     0.000 peak  2369 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.591 ppm2      0.956 CV     1
 ASSI { 2372}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 33   and name HN  ))
      6.000     4.500     0.000 peak  2372 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.996 ppm2      9.147 CV     1
 ASSI { 2377}
   (( segid "    " and resid 93   and name HN  ))
   (( segid "    " and resid 77   and name HB1 ))
      6.000     4.500     0.000 peak  2377 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.896 ppm2      1.850 CV     1
 ASSI { 2378}
   (( segid "    " and resid 93   and name HN  ))
   (( segid "    " and resid 87   and name HB1 ))
      6.000     4.500     0.000 peak  2378 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.886 ppm2      1.972 CV     1
 ASSI { 2379}
   (( segid "    " and resid 93   and name HN  ))
   (( segid "    " and resid 94   and name HB1 ))
      6.000     4.500     0.000 peak  2379 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.885 ppm2      1.428 CV     1
 ASSI { 2380}
   (( segid "    " and resid 120  and name HD21))
   (( segid "    " and resid 120  and name HD22))
      6.000     4.500     0.000 peak  2380 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.063 ppm2      6.900 CV     1
 ASSI { 2381}
   (( segid "    " and resid 120  and name HD21))
   (( segid "    " and resid 120  and name HB1 ))
      6.000     4.500     0.000 peak  2381 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.062 ppm2      2.549 CV     1
 ASSI { 2384}
   (( segid "    " and resid 148  and name HN  ))
   (( segid "    " and resid 149  and name HN  ))
      6.000     4.500     0.000 peak  2384 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.566 ppm2      8.297 CV     1
 ASSI { 2388}
   (( segid "    " and resid 148  and name HN  ))
   (( segid "    " and resid 145  and name HN  ))
      6.000     4.500     0.000 peak  2388 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.567 ppm2      6.724 CV     1
 ASSI { 2390}
   (( segid "    " and resid 148  and name HN  ))
   (( segid "    " and resid 148  and name HA  ))
      6.000     4.500     0.000 peak  2390 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.567 ppm2      4.455 CV     1
 ASSI { 2391}
   (( segid "    " and resid 148  and name HN  ))
   (( segid "    " and resid 145  and name HA  ))
      6.000     4.500     0.000 peak  2391 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.565 ppm2      4.235 CV     1
 ASSI { 2393}
   (( segid "    " and resid 148  and name HN  ))
   (( segid "    " and resid 147  and name HA  ))
      6.000     4.500     0.000 peak  2393 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.567 ppm2      3.674 CV     1
 ASSI { 2394}
   (( segid "    " and resid 148  and name HN  ))
   (( segid "    " and resid 144  and name HA  ))
      6.000     4.500     0.000 peak  2394 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.569 ppm2      3.525 CV     1
 ASSI { 2396}
   (( segid "    " and resid 148  and name HN  ))
   (( segid "    " and resid 146  and name HB  ))
      6.000     4.500     0.000 peak  2396 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.562 ppm2      1.795 CV     1
 ASSI { 2397}
   (( segid "    " and resid 148  and name HN  ))
   (( segid "    " and resid 144  and name HG1 ))
      6.000     4.500     0.000 peak  2397 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.568 ppm2      1.613 CV     1
 OR { 2397}
   (( segid "    " and resid 148  and name HN  ))
   (( segid "    " and resid 144  and name HG2 ))
 ASSI { 2398}
   (( segid "    " and resid 148  and name HN  ))
   (  segid "    " and resid 149  and name HG2%)
      6.000     4.500     0.000 peak  2398 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.565 ppm2      1.258 CV     1
 ASSI { 2399}
   (( segid "    " and resid 148  and name HN  ))
   (( segid "    " and resid 147  and name HB2 ))
      6.000     4.500     0.000 peak  2399 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.566 ppm2      1.098 CV     1
 ASSI { 2401}
   (( segid "    " and resid 148  and name HN  ))
   (( segid "    " and resid 147  and name HB1 ))
      6.000     4.500     0.000 peak  2401 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.566 ppm2      0.694 CV     1
 ASSI { 2402}
   (( segid "    " and resid 148  and name HN  ))
   (  segid "    " and resid 147  and name HD2%)
      6.000     4.500     0.000 peak  2402 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.568 ppm2     -0.535 CV     1
 ASSI { 2403}
   (( segid "    " and resid 148  and name HN  ))
   (( segid "    " and resid 145  and name HG1 ))
      6.000     4.500     0.000 peak  2403 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.561 ppm2      2.470 CV     1
 ASSI { 2405}
   (( segid "    " and resid 120  and name HD22))
   (( segid "    " and resid 120  and name HN  ))
      6.000     4.500     0.000 peak  2405 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.915 ppm2      7.502 CV     1
 ASSI { 2410}
   (( segid "    " and resid 120  and name HD22))
   (( segid "    " and resid 120  and name HB2 ))
      6.000     4.500     0.000 peak  2410 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.903 ppm2      3.000 CV     1
 ASSI { 2411}
   (( segid "    " and resid 120  and name HD22))
   (( segid "    " and resid 120  and name HB1 ))
      6.000     4.500     0.000 peak  2411 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.900 ppm2      2.542 CV     1
 ASSI { 2416}
   (( segid "    " and resid 145  and name HN  ))
   (( segid "    " and resid 143  and name HN  ))
      6.000     4.500     0.000 peak  2416 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.747 ppm2      8.419 CV     1
 ASSI { 2421}
   (( segid "    " and resid 145  and name HN  ))
   (( segid "    " and resid 142  and name HA  ))
      6.000     4.500     0.000 peak  2421 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.747 ppm2      4.815 CV     1
 ASSI { 2422}
   (( segid "    " and resid 145  and name HN  ))
   (( segid "    " and resid 145  and name HA  ))
      6.000     4.500     0.000 peak  2422 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.744 ppm2      4.244 CV     1
 ASSI { 2423}
   (( segid "    " and resid 145  and name HN  ))
   (( segid "    " and resid 143  and name HA  ))
      6.000     4.500     0.000 peak  2423 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.746 ppm2      4.099 CV     1
 ASSI { 2424}
   (( segid "    " and resid 145  and name HN  ))
   (( segid "    " and resid 146  and name HA  ))
      6.000     4.500     0.000 peak  2424 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.742 ppm2      3.650 CV     1
 ASSI { 2425}
   (( segid "    " and resid 145  and name HN  ))
   (( segid "    " and resid 144  and name HA  ))
      6.000     4.500     0.000 peak  2425 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.742 ppm2      3.524 CV     1
 ASSI { 2426}
   (( segid "    " and resid 145  and name HN  ))
   (( segid "    " and resid 142  and name HG2 ))
      6.000     4.500     0.000 peak  2426 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.745 ppm2      2.809 CV     1
 ASSI { 2427}
   (( segid "    " and resid 145  and name HN  ))
   (( segid "    " and resid 142  and name HG1 ))
      6.000     4.500     0.000 peak  2427 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.744 ppm2      2.658 CV     1
 ASSI { 2428}
   (( segid "    " and resid 145  and name HN  ))
   (( segid "    " and resid 145  and name HG1 ))
      6.000     4.500     0.000 peak  2428 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.743 ppm2      2.480 CV     1
 OR { 2428}
   (( segid "    " and resid 145  and name HN  ))
   (( segid "    " and resid 145  and name HG2 ))
 ASSI { 2432}
   (( segid "    " and resid 145  and name HN  ))
   (( segid "    " and resid 144  and name HG2 ))
      6.000     4.500     0.000 peak  2432 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.745 ppm2      1.593 CV     1
 ASSI { 2433}
   (( segid "    " and resid 145  and name HN  ))
   (( segid "    " and resid 143  and name HB1 ))
      6.000     4.500     0.000 peak  2433 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.743 ppm2      1.375 CV     1
 ASSI { 2434}
   (( segid "    " and resid 145  and name HN  ))
   (( segid "    " and resid 147  and name HB2 ))
      6.000     4.500     0.000 peak  2434 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.744 ppm2      1.089 CV     1
 ASSI { 2436}
   (( segid "    " and resid 145  and name HN  ))
   (  segid "    " and resid 146  and name HD1%)
      6.000     4.500     0.000 peak  2436 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.745 ppm2      0.478 CV     1
 ASSI { 2441}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 31   and name HN  ))
      6.000     4.500     0.000 peak  2441 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.986 ppm2      7.286 CV     1
 ASSI { 2442}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 31   and name HA  ))
      6.000     4.500     0.000 peak  2442 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.983 ppm2      5.929 CV     1
 ASSI { 2443}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 31   and name HB1 ))
      6.000     4.500     0.000 peak  2443 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.983 ppm2      3.583 CV     1
 OR { 2443}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 31   and name HB2 ))
 ASSI { 2444}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 32   and name HB2 ))
      6.000     4.500     0.000 peak  2444 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.986 ppm2      3.354 CV     1
 ASSI { 2445}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 32   and name HB1 ))
      6.000     4.500     0.000 peak  2445 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.984 ppm2      3.127 CV     1
 ASSI { 2446}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 61   and name HG2 ))
      6.000     4.500     0.000 peak  2446 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.984 ppm2      2.192 CV     1
 ASSI { 2447}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 61   and name HB2 ))
      6.000     4.500     0.000 peak  2447 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.982 ppm2      1.738 CV     1
 ASSI { 2450}
   (( segid "    " and resid 32   and name HN  ))
   (  segid "    " and resid 60   and name HD2%)
      6.000     4.500     0.000 peak  2450 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.982 ppm2      0.662 CV     1
 ASSI { 2454}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 32   and name HA  ))
      6.000     4.500     0.000 peak  2454 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.977 ppm2      4.902 CV     1
 ASSI { 2456}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 62   and name HB  ))
      6.000     4.500     0.000 peak  2456 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.976 ppm2      3.829 CV     1
 ASSI { 2460}
   (( segid "    " and resid 120  and name HD21))
   (( segid "    " and resid 120  and name HB2 ))
      6.000     4.500     0.000 peak  2460 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.069 ppm2      3.000 CV     1
 ASSI { 2465}
   (( segid "    " and resid 125  and name HN  ))
   (( segid "    " and resid 124  and name HA  ))
      6.000     4.500     0.000 peak  2465 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.488 ppm2      4.390 CV     1
 ASSI { 2466}
   (( segid "    " and resid 125  and name HN  ))
   (( segid "    " and resid 122  and name HA2 ))
      6.000     4.500     0.000 peak  2466 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.491 ppm2      4.085 CV     1
 ASSI { 2467}
   (( segid "    " and resid 125  and name HN  ))
   (( segid "    " and resid 125  and name HA  ))
      6.000     4.500     0.000 peak  2467 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.486 ppm2      3.829 CV     1
 ASSI { 2469}
   (( segid "    " and resid 125  and name HN  ))
   (( segid "    " and resid 126  and name HB2 ))
      6.000     4.500     0.000 peak  2469 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.487 ppm2      3.005 CV     1
 ASSI { 2470}
   (( segid "    " and resid 125  and name HN  ))
   (( segid "    " and resid 124  and name HB2 ))
      6.000     4.500     0.000 peak  2470 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.489 ppm2      2.126 CV     1
 OR { 2470}
   (( segid "    " and resid 125  and name HN  ))
   (( segid "    " and resid 124  and name HB1 ))
 ASSI { 2473}
   (( segid "    " and resid 125  and name HN  ))
   (( segid "    " and resid 127  and name HG1 ))
      6.000     4.500     0.000 peak  2473 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.488 ppm2      1.412 CV     1
 ASSI { 2474}
   (( segid "    " and resid 125  and name HN  ))
   (( segid "    " and resid 128  and name HB1 ))
      6.000     4.500     0.000 peak  2474 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.484 ppm2      1.219 CV     1
 ASSI { 2475}
   (( segid "    " and resid 125  and name HN  ))
   (( segid "    " and resid 125  and name HB1 ))
      6.000     4.500     0.000 peak  2475 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.486 ppm2      0.939 CV     1
 ASSI { 2477}
   (( segid "    " and resid 125  and name HN  ))
   (  segid "    " and resid 128  and name HD2%)
      6.000     4.500     0.000 peak  2477 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.488 ppm2      0.593 CV     1
 OR { 2477}
   (( segid "    " and resid 125  and name HN  ))
   (  segid "    " and resid 128  and name HD1%)
 ASSI { 2478}
   (( segid "    " and resid 125  and name HN  ))
   (  segid "    " and resid 125  and name HD1%)
      6.000     4.500     0.000 peak  2478 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.487 ppm2      0.456 CV     1
 ASSI { 2479}
   (( segid "    " and resid 125  and name HN  ))
   (( segid "    " and resid 125  and name HG  ))
      6.000     4.500     0.000 peak  2479 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.485 ppm2      0.335 CV     1
 ASSI { 2482}
   (( segid "    " and resid 125  and name HN  ))
   (( segid "    " and resid 125  and name HB2 ))
      6.000     4.500     0.000 peak  2482 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.481 ppm2      1.077 CV     1
 ASSI { 2485}
   (( segid "    " and resid 119  and name HN  ))
   (( segid "    " and resid 117  and name HN  ))
      6.000     4.500     0.000 peak  2485 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.075 ppm2      8.314 CV     1
 ASSI { 2490}
   (( segid "    " and resid 119  and name HN  ))
   (( segid "    " and resid 121  and name HN  ))
      6.000     4.500     0.000 peak  2490 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.077 ppm2      7.034 CV     1
 ASSI { 2491}
   (( segid "    " and resid 119  and name HN  ))
   (( segid "    " and resid 119  and name HA  ))
      6.000     4.500     0.000 peak  2491 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.074 ppm2      3.799 CV     1
 ASSI { 2492}
   (( segid "    " and resid 119  and name HN  ))
   (( segid "    " and resid 118  and name HG2 ))
      6.000     4.500     0.000 peak  2492 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.075 ppm2      3.295 CV     1
 ASSI { 2493}
   (( segid "    " and resid 119  and name HN  ))
   (( segid "    " and resid 118  and name HG1 ))
      6.000     4.500     0.000 peak  2493 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.075 ppm2      2.153 CV     1
 ASSI { 2494}
   (( segid "    " and resid 119  and name HN  ))
   (( segid "    " and resid 118  and name HB2 ))
      6.000     4.500     0.000 peak  2494 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.075 ppm2      1.943 CV     1
 ASSI { 2496}
   (( segid "    " and resid 119  and name HN  ))
   (( segid "    " and resid 119  and name HB2 ))
      6.000     4.500     0.000 peak  2496 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.076 ppm2      1.646 CV     1
 ASSI { 2497}
   (( segid "    " and resid 119  and name HN  ))
   (( segid "    " and resid 119  and name HB1 ))
      6.000     4.500     0.000 peak  2497 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.077 ppm2      1.474 CV     1
 OR { 2497}
   (( segid "    " and resid 119  and name HN  ))
   (( segid "    " and resid 119  and name HE1 ))
 ASSI { 2498}
   (( segid "    " and resid 119  and name HN  ))
   (( segid "    " and resid 119  and name HG1 ))
      6.000     4.500     0.000 peak  2498 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.076 ppm2      1.270 CV     1
 ASSI { 2502}
   (( segid "    " and resid 119  and name HN  ))
   (( segid "    " and resid 125  and name HG  ))
      6.000     4.500     0.000 peak  2502 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.074 ppm2      0.340 CV     1
 ASSI { 2509}
   (( segid "    " and resid 125  and name HN  ))
   (( segid "    " and resid 122  and name HA1 ))
      6.000     4.500     0.000 peak  2509 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.473 ppm2      2.790 CV     1
 ASSI { 2517}
   (( segid "    " and resid 108  and name HN  ))
   (( segid "    " and resid 110  and name HN  ))
      6.000     4.500     0.000 peak  2517 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.002 ppm2      7.932 CV     1
 ASSI { 2519}
   (( segid "    " and resid 108  and name HN  ))
   (( segid "    " and resid 107  and name HA  ))
      6.000     4.500     0.000 peak  2519 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.994 ppm2      5.507 CV     1
 ASSI { 2520}
   (( segid "    " and resid 108  and name HN  ))
   (( segid "    " and resid 112  and name HA  ))
      6.000     4.500     0.000 peak  2520 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.997 ppm2      5.214 CV     1
 ASSI { 2521}
   (( segid "    " and resid 108  and name HN  ))
   (( segid "    " and resid 108  and name HA  ))
      6.000     4.500     0.000 peak  2521 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.999 ppm2      4.826 CV     1
 ASSI { 2522}
   (( segid "    " and resid 108  and name HN  ))
   (( segid "    " and resid 108  and name HB  ))
      6.000     4.500     0.000 peak  2522 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.999 ppm2      4.648 CV     1
 ASSI { 2523}
   (( segid "    " and resid 108  and name HN  ))
   (( segid "    " and resid 107  and name HB1 ))
      6.000     4.500     0.000 peak  2523 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.996 ppm2      2.703 CV     1
 ASSI { 2525}
   (( segid "    " and resid 108  and name HN  ))
   (  segid "    " and resid 108  and name HG2%)
      6.000     4.500     0.000 peak  2525 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.997 ppm2      1.202 CV     1
 ASSI { 2527}
   (( segid "    " and resid 108  and name HN  ))
   (  segid "    " and resid 106  and name HG2%)
      6.000     4.500     0.000 peak  2527 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.996 ppm2      0.922 CV     1
 ASSI { 2529}
   (( segid "    " and resid 108  and name HN  ))
   (( segid "    " and resid 107  and name HD21))
      6.000     4.500     0.000 peak  2529 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.993 ppm2      7.789 CV     1
 ASSI { 2536}
   (( segid "    " and resid 108  and name HN  ))
   (( segid "    " and resid 106  and name HA  ))
      6.000     4.500     0.000 peak  2536 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.000 ppm2      4.299 CV     1
 ASSI { 2547}
   (( segid "    " and resid 134  and name HN  ))
   (( segid "    " and resid 134  and name HA  ))
      6.000     4.500     0.000 peak  2547 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.285 ppm2      4.544 CV     1
 ASSI { 2548}
   (( segid "    " and resid 134  and name HN  ))
   (( segid "    " and resid 133  and name HA  ))
      6.000     4.500     0.000 peak  2548 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.284 ppm2      4.127 CV     1
 ASSI { 2550}
   (( segid "    " and resid 134  and name HN  ))
   (( segid "    " and resid 133  and name HD2 ))
      6.000     4.500     0.000 peak  2550 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.286 ppm2      3.415 CV     1
 ASSI { 2551}
   (( segid "    " and resid 134  and name HN  ))
   (( segid "    " and resid 133  and name HD1 ))
      6.000     4.500     0.000 peak  2551 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.287 ppm2      3.107 CV     1
 ASSI { 2552}
   (( segid "    " and resid 134  and name HN  ))
   (( segid "    " and resid 134  and name HG2 ))
      6.000     4.500     0.000 peak  2552 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.286 ppm2      2.306 CV     1
 OR { 2552}
   (( segid "    " and resid 134  and name HN  ))
   (( segid "    " and resid 134  and name HB2 ))
 ASSI { 2553}
   (( segid "    " and resid 134  and name HN  ))
   (( segid "    " and resid 134  and name HG1 ))
      6.000     4.500     0.000 peak  2553 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.285 ppm2      2.108 CV     1
 ASSI { 2555}
   (( segid "    " and resid 134  and name HN  ))
   (( segid "    " and resid 134  and name HB1 ))
      6.000     4.500     0.000 peak  2555 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.286 ppm2      1.759 CV     1
 ASSI { 2556}
   (( segid "    " and resid 134  and name HN  ))
   (( segid "    " and resid 133  and name HB2 ))
      6.000     4.500     0.000 peak  2556 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.287 ppm2      1.488 CV     1
 ASSI { 2557}
   (( segid "    " and resid 134  and name HN  ))
   (( segid "    " and resid 135  and name HB1 ))
      6.000     4.500     0.000 peak  2557 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.286 ppm2      1.334 CV     1
 ASSI { 2559}
   (( segid "    " and resid 134  and name HN  ))
   (  segid "    " and resid 132  and name HB% )
      6.000     4.500     0.000 peak  2559 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.285 ppm2      0.991 CV     1
 ASSI { 2576}
   (( segid "    " and resid 128  and name HN  ))
   (( segid "    " and resid 129  and name HB1 ))
      6.000     4.500     0.000 peak  2576 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.523 ppm2      2.906 CV     1
 ASSI { 2578}
   (( segid "    " and resid 128  and name HN  ))
   (( segid "    " and resid 131  and name HG12))
      6.000     4.500     0.000 peak  2578 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.522 ppm2      1.593 CV     1
 ASSI { 2579}
   (( segid "    " and resid 128  and name HN  ))
   (( segid "    " and resid 131  and name HG11))
      6.000     4.500     0.000 peak  2579 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.521 ppm2      1.451 CV     1
 ASSI { 2580}
   (( segid "    " and resid 128  and name HN  ))
   (  segid "    " and resid 57   and name HB% )
      6.000     4.500     0.000 peak  2580 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.522 ppm2      1.342 CV     1
 ASSI { 2584}
   (( segid "    " and resid 128  and name HN  ))
   (( segid "    " and resid 127  and name HA  ))
      6.000     4.500     0.000 peak  2584 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.516 ppm2      4.445 CV     1
 ASSI { 2586}
   (( segid "    " and resid 128  and name HN  ))
   (( segid "    " and resid 127  and name HB2 ))
      6.000     4.500     0.000 peak  2586 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.515 ppm2      2.631 CV     1
 ASSI { 2587}
   (( segid "    " and resid 128  and name HN  ))
   (( segid "    " and resid 128  and name HB2 ))
      6.000     4.500     0.000 peak  2587 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.518 ppm2      1.985 CV     1
 ASSI { 2588}
   (( segid "    " and resid 128  and name HN  ))
   (( segid "    " and resid 128  and name HB1 ))
      6.000     4.500     0.000 peak  2588 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.519 ppm2      1.207 CV     1
 ASSI { 2589}
   (( segid "    " and resid 128  and name HN  ))
   (  segid "    " and resid 128  and name HD1%)
      6.000     4.500     0.000 peak  2589 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.515 ppm2      0.570 CV     1
 OR { 2589}
   (( segid "    " and resid 128  and name HN  ))
   (  segid "    " and resid 128  and name HD2%)
 ASSI { 2590}
   (( segid "    " and resid 128  and name HN  ))
   (( segid "    " and resid 128  and name HG  ))
      6.000     4.500     0.000 peak  2590 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.519 ppm2      0.279 CV     1
 ASSI { 2594}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 29   and name HD2 ))
      6.000     4.500     0.000 peak  2594 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.903 ppm2      3.647 CV     1
 ASSI { 2595}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 29   and name HD1 ))
      6.000     4.500     0.000 peak  2595 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.906 ppm2      2.735 CV     1
 ASSI { 2600}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 31   and name HN  ))
      6.000     4.500     0.000 peak  2600 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.903 ppm2      7.281 CV     1
 ASSI { 2601}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 31   and name HA  ))
      6.000     4.500     0.000 peak  2601 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.900 ppm2      5.947 CV     1
 ASSI { 2602}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 29   and name HA  ))
      6.000     4.500     0.000 peak  2602 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.902 ppm2      4.316 CV     1
 ASSI { 2604}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 30   and name HA  ))
      6.000     4.500     0.000 peak  2604 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.902 ppm2      3.907 CV     1
 ASSI { 2606}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 30   and name HG1 ))
      6.000     4.500     0.000 peak  2606 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.902 ppm2      2.095 CV     1
 ASSI { 2608}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 29   and name HB1 ))
      6.000     4.500     0.000 peak  2608 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.902 ppm2      1.889 CV     1
 ASSI { 2610}
   (( segid "    " and resid 30   and name HN  ))
   (  segid "    " and resid 64   and name HD2%)
      6.000     4.500     0.000 peak  2610 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.900 ppm2      0.732 CV     1
 OR { 2610}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 64   and name HG  ))
 OR { 2610}
   (( segid "    " and resid 30   and name HN  ))
   (  segid "    " and resid 64   and name HD1%)
 ASSI { 2616}
   (( segid "    " and resid 102  and name HN  ))
   (( segid "    " and resid 1    and name HA  ))
      6.000     4.500     0.000 peak  2616 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.398 ppm2      3.611 CV     1
 ASSI { 2618}
   (( segid "    " and resid 128  and name HN  ))
   (( segid "    " and resid 126  and name HB2 ))
      6.000     4.500     0.000 peak  2618 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.514 ppm2      2.995 CV     1
 ASSI { 2627}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 70   and name HA  ))
      6.000     4.500     0.000 peak  2627 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.287 ppm2      4.556 CV     1
 ASSI { 2628}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 71   and name HA  ))
      6.000     4.500     0.000 peak  2628 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.287 ppm2      4.291 CV     1
 ASSI { 2629}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 74   and name HA  ))
      6.000     4.500     0.000 peak  2629 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.284 ppm2      4.209 CV     1
 ASSI { 2630}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 72   and name HB2 ))
      6.000     4.500     0.000 peak  2630 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.287 ppm2      3.406 CV     1
 ASSI { 2633}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 74   and name HB2 ))
      6.000     4.500     0.000 peak  2633 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.281 ppm2      2.186 CV     1
 OR { 2633}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 74   and name HB1 ))
 ASSI { 2635}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 69   and name HB1 ))
      6.000     4.500     0.000 peak  2635 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.288 ppm2      1.311 CV     1
 ASSI { 2637}
   (( segid "    " and resid 73   and name HN  ))
   (  segid "    " and resid 73   and name HG2%)
      6.000     4.500     0.000 peak  2637 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.288 ppm2      1.054 CV     1
 ASSI { 2639}
   (( segid "    " and resid 73   and name HN  ))
   (  segid "    " and resid 70   and name HD1%)
      6.000     4.500     0.000 peak  2639 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.287 ppm2      0.715 CV     1
 ASSI { 2647}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 94   and name HA  ))
      6.000     4.500     0.000 peak  2647 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.787 ppm2      5.076 CV     1
 ASSI { 2650}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 8    and name HA1 ))
      6.000     4.500     0.000 peak  2650 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.782 ppm2      5.757 CV     1
 ASSI { 2651}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 96   and name HA  ))
      6.000     4.500     0.000 peak  2651 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.782 ppm2      5.456 CV     1
 ASSI { 2652}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 7    and name HA  ))
      6.000     4.500     0.000 peak  2652 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.782 ppm2      4.849 CV     1
 ASSI { 2654}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 8    and name HA2 ))
      6.000     4.500     0.000 peak  2654 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.782 ppm2      3.749 CV     1
 ASSI { 2656}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 95   and name HB1 ))
      6.000     4.500     0.000 peak  2656 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.778 ppm2      2.496 CV     1
 ASSI { 2660}
   (( segid "    " and resid 8    and name HN  ))
   (  segid "    " and resid 96   and name HD2%)
      6.000     4.500     0.000 peak  2660 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.780 ppm2      0.931 CV     1
 OR { 2660}
   (( segid "    " and resid 8    and name HN  ))
   (  segid "    " and resid 96   and name HD1%)
 ASSI { 2662}
   (( segid "    " and resid 8    and name HN  ))
   (  segid "    " and resid 7    and name HD1%)
      6.000     4.500     0.000 peak  2662 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.781 ppm2      0.672 CV     1
 ASSI { 2669}
   (( segid "    " and resid 102  and name HN  ))
   (  segid "    " and resid 101  and name HD% )
      6.000     4.500     0.000 peak  2669 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.401 ppm2      7.013 CV     1
 ASSI { 2671}
   (( segid "    " and resid 102  and name HN  ))
   (( segid "    " and resid 3    and name HA  ))
      6.000     4.500     0.000 peak  2671 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.398 ppm2      4.962 CV     1
 ASSI { 2673}
   (( segid "    " and resid 102  and name HN  ))
   (( segid "    " and resid 101  and name HA  ))
      6.000     4.500     0.000 peak  2673 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.399 ppm2      4.532 CV     1
 ASSI { 2675}
   (( segid "    " and resid 102  and name HN  ))
   (( segid "    " and resid 102  and name HA2 ))
      6.000     4.500     0.000 peak  2675 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.398 ppm2      3.867 CV     1
 OR { 2675}
   (( segid "    " and resid 102  and name HN  ))
   (( segid "    " and resid 102  and name HA1 ))
 ASSI { 2676}
   (( segid "    " and resid 102  and name HN  ))
   (( segid "    " and resid 101  and name HB2 ))
      6.000     4.500     0.000 peak  2676 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.398 ppm2      3.317 CV     1
 ASSI { 2678}
   (( segid "    " and resid 102  and name HN  ))
   (( segid "    " and resid 104  and name HB2 ))
      6.000     4.500     0.000 peak  2678 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.403 ppm2      2.171 CV     1
 ASSI { 2680}
   (( segid "    " and resid 102  and name HN  ))
   (( segid "    " and resid 2    and name HB  ))
      6.000     4.500     0.000 peak  2680 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.397 ppm2      1.761 CV     1
 ASSI { 2681}
   (( segid "    " and resid 102  and name HN  ))
   (  segid "    " and resid 3    and name HB% )
      6.000     4.500     0.000 peak  2681 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.401 ppm2      1.216 CV     1
 ASSI { 2683}
   (( segid "    " and resid 102  and name HN  ))
   (  segid "    " and resid 98   and name HG2%)
      6.000     4.500     0.000 peak  2683 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.400 ppm2      0.771 CV     1
 ASSI { 2685}
   (( segid "    " and resid 102  and name HN  ))
   (( segid "    " and resid 1    and name HG21))
      6.000     4.500     0.000 peak  2685 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.399 ppm2      0.516 CV     1
 ASSI { 2686}
   (( segid "    " and resid 102  and name HN  ))
   (  segid "    " and resid 2    and name HG1%)
      6.000     4.500     0.000 peak  2686 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.399 ppm2      0.134 CV     1
 ASSI { 2688}
   (( segid "    " and resid 102  and name HN  ))
   (( segid "    " and resid 101  and name HB1 ))
      6.000     4.500     0.000 peak  2688 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.393 ppm2      2.327 CV     1
 ASSI { 2697}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 72   and name HA  ))
      6.000     4.500     0.000 peak  2697 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.285 ppm2      4.378 CV     1
 ASSI { 2698}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 73   and name HB  ))
      6.000     4.500     0.000 peak  2698 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.290 ppm2      3.922 CV     1
 ASSI { 2704}
   (( segid "    " and resid 107  and name HD21))
   (( segid "    " and resid 107  and name HD22))
      6.000     4.500     0.000 peak  2704 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.802 ppm2      6.795 CV     1
 ASSI { 2707}
   (( segid "    " and resid 107  and name HD21))
   (( segid "    " and resid 106  and name HA  ))
      6.000     4.500     0.000 peak  2707 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.802 ppm2      4.302 CV     1
 ASSI { 2708}
   (( segid "    " and resid 107  and name HD21))
   (( segid "    " and resid 107  and name HB1 ))
      6.000     4.500     0.000 peak  2708 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.802 ppm2      2.687 CV     1
 OR { 2708}
   (( segid "    " and resid 107  and name HD21))
   (( segid "    " and resid 107  and name HB2 ))
 ASSI { 2709}
   (( segid "    " and resid 107  and name HD21))
   (  segid "    " and resid 112  and name HG2%)
      6.000     4.500     0.000 peak  2709 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.803 ppm2      1.429 CV     1
 ASSI { 2710}
   (( segid "    " and resid 107  and name HD21))
   (  segid "    " and resid 105  and name HG1%)
      6.000     4.500     0.000 peak  2710 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.801 ppm2      1.032 CV     1
 OR { 2710}
   (( segid "    " and resid 107  and name HD21))
   (  segid "    " and resid 105  and name HG2%)
 ASSI { 2711}
   (( segid "    " and resid 107  and name HD21))
   (  segid "    " and resid 106  and name HG2%)
      6.000     4.500     0.000 peak  2711 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.803 ppm2      0.895 CV     1
 ASSI { 2713}
   (( segid "    " and resid 156  and name HD21))
   (( segid "    " and resid 156  and name HD22))
      6.000     4.500     0.000 peak  2713 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.697 ppm2      7.075 CV     1
 ASSI { 2714}
   (( segid "    " and resid 156  and name HD21))
   (( segid "    " and resid 156  and name HA  ))
      6.000     4.500     0.000 peak  2714 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.698 ppm2      4.821 CV     1
 ASSI { 2716}
   (( segid "    " and resid 156  and name HD21))
   (( segid "    " and resid 155  and name HA  ))
      6.000     4.500     0.000 peak  2716 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.696 ppm2      4.494 CV     1
 ASSI { 2717}
   (( segid "    " and resid 156  and name HD21))
   (( segid "    " and resid 156  and name HB2 ))
      6.000     4.500     0.000 peak  2717 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.697 ppm2      2.866 CV     1
 ASSI { 2718}
   (( segid "    " and resid 156  and name HD21))
   (( segid "    " and resid 156  and name HB1 ))
      6.000     4.500     0.000 peak  2718 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.697 ppm2      2.760 CV     1
 ASSI { 2726}
   (( segid "    " and resid 156  and name HD22))
   (( segid "    " and resid 156  and name HB2 ))
      6.000     4.500     0.000 peak  2726 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.076 ppm2      2.864 CV     1
 ASSI { 2727}
   (( segid "    " and resid 156  and name HD22))
   (( segid "    " and resid 156  and name HB1 ))
      6.000     4.500     0.000 peak  2727 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.079 ppm2      2.758 CV     1
 ASSI { 2732}
   (( segid "    " and resid 107  and name HD22))
   (( segid "    " and resid 106  and name HA  ))
      6.000     4.500     0.000 peak  2732 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.797 ppm2      4.278 CV     1
 ASSI { 2733}
   (( segid "    " and resid 107  and name HD22))
   (( segid "    " and resid 107  and name HB1 ))
      6.000     4.500     0.000 peak  2733 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.797 ppm2      2.690 CV     1
 ASSI { 2734}
   (( segid "    " and resid 107  and name HD22))
   (  segid "    " and resid 112  and name HG2%)
      6.000     4.500     0.000 peak  2734 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.799 ppm2      1.428 CV     1
 ASSI { 2736}
   (( segid "    " and resid 107  and name HD22))
   (  segid "    " and resid 105  and name HG1%)
      6.000     4.500     0.000 peak  2736 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.798 ppm2      1.035 CV     1
 OR { 2736}
   (( segid "    " and resid 107  and name HD22))
   (  segid "    " and resid 105  and name HG2%)
 ASSI { 2740}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 65   and name HA  ))
      6.000     4.500     0.000 peak  2740 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.725 ppm2      4.583 CV     1
 ASSI { 2742}
   (( segid "    " and resid 67   and name HN  ))
   (  segid "    " and resid 111  and name HD2%)
      6.000     4.500     0.000 peak  2742 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.723 ppm2      0.305 CV     1
 ASSI { 2744}
   (( segid "    " and resid 50   and name HE22))
   (( segid "    " and resid 50   and name HA  ))
      6.000     4.500     0.000 peak  2744 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.106 ppm2      4.679 CV     1
 ASSI { 2750}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 65   and name HN  ))
      6.000     4.500     0.000 peak  2750 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.723 ppm2      8.368 CV     1
 ASSI { 2755}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 68   and name HA  ))
      6.000     4.500     0.000 peak  2755 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.725 ppm2      4.311 CV     1
 ASSI { 2757}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 66   and name HD1 ))
      6.000     4.500     0.000 peak  2757 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.725 ppm2      3.382 CV     1
 ASSI { 2758}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 68   and name HG1 ))
      6.000     4.500     0.000 peak  2758 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.727 ppm2      2.396 CV     1
 OR { 2758}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 68   and name HG2 ))
 ASSI { 2760}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 67   and name HG2 ))
      6.000     4.500     0.000 peak  2760 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.724 ppm2      2.148 CV     1
 ASSI { 2761}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 67   and name HB2 ))
      6.000     4.500     0.000 peak  2761 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.725 ppm2      1.838 CV     1
 OR { 2761}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 67   and name HB1 ))
 ASSI { 2762}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 66   and name HG1 ))
      6.000     4.500     0.000 peak  2762 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.725 ppm2      1.730 CV     1
 ASSI { 2763}
   (( segid "    " and resid 67   and name HN  ))
   (  segid "    " and resid 65   and name HB% )
      6.000     4.500     0.000 peak  2763 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.725 ppm2      1.436 CV     1
 ASSI { 2764}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 66   and name HB2 ))
      6.000     4.500     0.000 peak  2764 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.724 ppm2      1.272 CV     1
 ASSI { 2765}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 66   and name HG2 ))
      6.000     4.500     0.000 peak  2765 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.724 ppm2      0.773 CV     1
 ASSI { 2766}
   (( segid "    " and resid 67   and name HN  ))
   (  segid "    " and resid 106  and name HD1%)
      6.000     4.500     0.000 peak  2766 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.724 ppm2      0.624 CV     1
 ASSI { 2767}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 66   and name HB1 ))
      6.000     4.500     0.000 peak  2767 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.724 ppm2      0.518 CV     1
 ASSI { 2770}
   (( segid "    " and resid 50   and name HE21))
   (( segid "    " and resid 50   and name HE22))
      6.000     4.500     0.000 peak  2770 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.942 ppm2      7.086 CV     1
 ASSI { 2772}
   (( segid "    " and resid 50   and name HE21))
   (( segid "    " and resid 50   and name HG1 ))
      6.000     4.500     0.000 peak  2772 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.943 ppm2      2.305 CV     1
 OR { 2772}
   (( segid "    " and resid 50   and name HE21))
   (( segid "    " and resid 50   and name HG2 ))
 ASSI { 2773}
   (( segid "    " and resid 50   and name HE21))
   (( segid "    " and resid 50   and name HB2 ))
      6.000     4.500     0.000 peak  2773 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.947 ppm2      2.169 CV     1
 OR { 2773}
   (( segid "    " and resid 50   and name HE21))
   (( segid "    " and resid 50   and name HB1 ))
 ASSI { 2775}
   (( segid "    " and resid 48   and name HE21))
   (( segid "    " and resid 48   and name HE22))
      6.000     4.500     0.000 peak  2775 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.616 ppm2      6.883 CV     1
 ASSI { 2778}
   (( segid "    " and resid 48   and name HE21))
   (( segid "    " and resid 48   and name HA  ))
      6.000     4.500     0.000 peak  2778 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.614 ppm2      4.253 CV     1
 ASSI { 2779}
   (( segid "    " and resid 48   and name HE21))
   (( segid "    " and resid 48   and name HG1 ))
      6.000     4.500     0.000 peak  2779 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.616 ppm2      2.428 CV     1
 OR { 2779}
   (( segid "    " and resid 48   and name HE21))
   (( segid "    " and resid 48   and name HG2 ))
 ASSI { 2780}
   (( segid "    " and resid 48   and name HE21))
   (( segid "    " and resid 48   and name HB1 ))
      6.000     4.500     0.000 peak  2780 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.617 ppm2      2.247 CV     1
 ASSI { 2781}
   (( segid "    " and resid 48   and name HE21))
   (( segid "    " and resid 48   and name HB2 ))
      6.000     4.500     0.000 peak  2781 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.617 ppm2      1.987 CV     1
 ASSI { 2783}
   (( segid "    " and resid 50   and name HE22))
   (( segid "    " and resid 50   and name HG1 ))
      6.000     4.500     0.000 peak  2783 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.102 ppm2      2.304 CV     1
 OR { 2783}
   (( segid "    " and resid 50   and name HE22))
   (( segid "    " and resid 50   and name HG2 ))
 ASSI { 2788}
   (( segid "    " and resid 48   and name HE22))
   (( segid "    " and resid 48   and name HA  ))
      6.000     4.500     0.000 peak  2788 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.888 ppm2      4.246 CV     1
 ASSI { 2790}
   (( segid "    " and resid 48   and name HE22))
   (( segid "    " and resid 91   and name HD2 ))
      6.000     4.500     0.000 peak  2790 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.889 ppm2      3.614 CV     1
 ASSI { 2791}
   (( segid "    " and resid 48   and name HE22))
   (( segid "    " and resid 48   and name HG1 ))
      6.000     4.500     0.000 peak  2791 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.888 ppm2      2.429 CV     1
 OR { 2791}
   (( segid "    " and resid 48   and name HE22))
   (( segid "    " and resid 48   and name HG2 ))
 ASSI { 2792}
   (( segid "    " and resid 48   and name HE22))
   (( segid "    " and resid 48   and name HB1 ))
      6.000     4.500     0.000 peak  2792 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.891 ppm2      2.245 CV     1
 ASSI { 2795}
   (( segid "    " and resid 48   and name HE22))
   (( segid "    " and resid 50   and name HB1 ))
      6.000     4.500     0.000 peak  2795 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.882 ppm2      2.168 CV     1
 OR { 2795}
   (( segid "    " and resid 48   and name HE22))
   (( segid "    " and resid 50   and name HB2 ))
 ASSI { 2809}
   (( segid "    " and resid 110  and name HN  ))
   (( segid "    " and resid 110  and name HD1 ))
      6.000     4.500     0.000 peak  2809 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.939 ppm2      3.235 CV     1
 OR { 2809}
   (( segid "    " and resid 110  and name HN  ))
   (( segid "    " and resid 110  and name HD2 ))
 ASSI { 2842}
   (( segid "    " and resid 110  and name HN  ))
   (( segid "    " and resid 108  and name HB  ))
      6.000     4.500     0.000 peak  2842 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.934 ppm2      4.667 CV     1
 ASSI { 2843}
   (( segid "    " and resid 110  and name HN  ))
   (( segid "    " and resid 110  and name HA  ))
      6.000     4.500     0.000 peak  2843 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.935 ppm2      4.224 CV     1
 ASSI { 2844}
   (( segid "    " and resid 110  and name HN  ))
   (( segid "    " and resid 109  and name HA  ))
      6.000     4.500     0.000 peak  2844 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.934 ppm2      4.035 CV     1
 ASSI { 2846}
   (( segid "    " and resid 110  and name HN  ))
   (( segid "    " and resid 109  and name HB1 ))
      6.000     4.500     0.000 peak  2846 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.935 ppm2      2.026 CV     1
 OR { 2846}
   (( segid "    " and resid 110  and name HN  ))
   (( segid "    " and resid 109  and name HB2 ))
 ASSI { 2847}
   (( segid "    " and resid 110  and name HN  ))
   (( segid "    " and resid 110  and name HG1 ))
      6.000     4.500     0.000 peak  2847 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.934 ppm2      1.771 CV     1
 ASSI { 2848}
   (( segid "    " and resid 110  and name HN  ))
   (( segid "    " and resid 110  and name HB1 ))
      6.000     4.500     0.000 peak  2848 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.933 ppm2      1.625 CV     1
 ASSI { 2849}
   (( segid "    " and resid 110  and name HN  ))
   (( segid "    " and resid 110  and name HG2 ))
      6.000     4.500     0.000 peak  2849 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.937 ppm2      1.461 CV     1
 ASSI { 2850}
   (( segid "    " and resid 110  and name HN  ))
   (( segid "    " and resid 110  and name HB2 ))
      6.000     4.500     0.000 peak  2850 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.934 ppm2      1.352 CV     1
 ASSI { 2851}
   (( segid "    " and resid 110  and name HN  ))
   (  segid "    " and resid 108  and name HG2%)
      6.000     4.500     0.000 peak  2851 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.935 ppm2      1.203 CV     1
 ASSI { 2863}
   (( segid "    " and resid 38   and name HN  ))
   (  segid "    " and resid 39   and name HD% )
      6.000     4.500     0.000 peak  2863 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.456 ppm2      6.967 CV     1
 ASSI { 2865}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 37   and name HA  ))
      6.000     4.500     0.000 peak  2865 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.456 ppm2      5.060 CV     1
 ASSI { 2867}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 38   and name HA  ))
      6.000     4.500     0.000 peak  2867 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.456 ppm2      4.260 CV     1
 ASSI { 2868}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 37   and name HB2 ))
      6.000     4.500     0.000 peak  2868 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.454 ppm2      4.057 CV     1
 OR { 2868}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 37   and name HB1 ))
 ASSI { 2869}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 38   and name HB2 ))
      6.000     4.500     0.000 peak  2869 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.453 ppm2      3.599 CV     1
 ASSI { 2872}
   (( segid "    " and resid 38   and name HN  ))
   (  segid "    " and resid 57   and name HB% )
      6.000     4.500     0.000 peak  2872 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.454 ppm2      1.332 CV     1
 ASSI { 2874}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 56   and name HA  ))
      6.000     4.500     0.000 peak  2874 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.445 ppm2      4.967 CV     1
 ASSI { 2883}
   (( segid "    " and resid 100  and name HN  ))
   (( segid "    " and resid 102  and name HN  ))
      6.000     4.500     0.000 peak  2883 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.510 ppm2      8.364 CV     1
 ASSI { 2886}
   (( segid "    " and resid 100  and name HN  ))
   (( segid "    " and resid 4    and name HA  ))
      6.000     4.500     0.000 peak  2886 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.510 ppm2      5.581 CV     1
 ASSI { 2888}
   (( segid "    " and resid 100  and name HN  ))
   (( segid "    " and resid 115  and name HB1 ))
      6.000     4.500     0.000 peak  2888 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.513 ppm2      3.018 CV     1
 ASSI { 2896}
   (( segid "    " and resid 100  and name HN  ))
   (( segid "    " and resid 99   and name HA  ))
      6.000     4.500     0.000 peak  2896 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.500 ppm2      4.539 CV     1
 ASSI { 2897}
   (( segid "    " and resid 100  and name HN  ))
   (( segid "    " and resid 98   and name HA  ))
      6.000     4.500     0.000 peak  2897 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.502 ppm2      4.190 CV     1
 ASSI { 2899}
   (( segid "    " and resid 100  and name HN  ))
   (( segid "    " and resid 4    and name HB2 ))
      6.000     4.500     0.000 peak  2899 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.502 ppm2      2.693 CV     1
 OR { 2899}
   (( segid "    " and resid 100  and name HN  ))
   (( segid "    " and resid 4    and name HB1 ))
 ASSI { 2900}
   (( segid "    " and resid 100  and name HN  ))
   (( segid "    " and resid 99   and name HB2 ))
      6.000     4.500     0.000 peak  2900 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.505 ppm2      2.275 CV     1
 OR { 2900}
   (( segid "    " and resid 100  and name HN  ))
   (( segid "    " and resid 99   and name HB1 ))
 ASSI { 2901}
   (( segid "    " and resid 100  and name HN  ))
   (( segid "    " and resid 99   and name HG1 ))
      6.000     4.500     0.000 peak  2901 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.505 ppm2      2.196 CV     1
 ASSI { 2905}
   (( segid "    " and resid 100  and name HN  ))
   (( segid "    " and resid 100  and name HG  ))
      6.000     4.500     0.000 peak  2905 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.501 ppm2      1.614 CV     1
 ASSI { 2909}
   (( segid "    " and resid 100  and name HN  ))
   (  segid "    " and resid 113  and name HG1%)
      6.000     4.500     0.000 peak  2909 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.502 ppm2      0.839 CV     1
 ASSI { 2910}
   (( segid "    " and resid 100  and name HN  ))
   (  segid "    " and resid 100  and name HD2%)
      6.000     4.500     0.000 peak  2910 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.504 ppm2      0.670 CV     1
 ASSI { 2914}
   (( segid "    " and resid 71   and name HD22))
   (( segid "    " and resid 71   and name HD21))
      6.000     4.500     0.000 peak  2914 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.431 ppm2      7.183 CV     1
 ASSI { 2915}
   (( segid "    " and resid 71   and name HD22))
   (( segid "    " and resid 71   and name HB1 ))
      6.000     4.500     0.000 peak  2915 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.427 ppm2      2.603 CV     1
 ASSI { 2916}
   (( segid "    " and resid 71   and name HD22))
   (( segid "    " and resid 68   and name HG2 ))
      6.000     4.500     0.000 peak  2916 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.429 ppm2      2.396 CV     1
 OR { 2916}
   (( segid "    " and resid 71   and name HD22))
   (( segid "    " and resid 68   and name HG1 ))
 ASSI { 2919}
   (( segid "    " and resid 71   and name HD21))
   (( segid "    " and resid 68   and name HN  ))
      6.000     4.500     0.000 peak  2919 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.191 ppm2      6.867 CV     1
 ASSI { 2923}
   (( segid "    " and resid 71   and name HD21))
   (( segid "    " and resid 71   and name HB2 ))
      6.000     4.500     0.000 peak  2923 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.188 ppm2      3.060 CV     1
 ASSI { 2924}
   (( segid "    " and resid 71   and name HD21))
   (( segid "    " and resid 71   and name HB1 ))
      6.000     4.500     0.000 peak  2924 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.188 ppm2      2.585 CV     1
 ASSI { 2936}
   (( segid "    " and resid 149  and name HN  ))
   (( segid "    " and resid 148  and name HD2 ))
      6.000     4.500     0.000 peak  2936 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.299 ppm2      7.006 CV     1
 ASSI { 2938}
   (( segid "    " and resid 149  and name HN  ))
   (( segid "    " and resid 149  and name HB  ))
      6.000     4.500     0.000 peak  2938 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.301 ppm2      4.198 CV     1
 ASSI { 2946}
   (( segid "    " and resid 149  and name HN  ))
   (( segid "    " and resid 150  and name HG1 ))
      6.000     4.500     0.000 peak  2946 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.297 ppm2      1.417 CV     1
 ASSI { 2947}
   (( segid "    " and resid 149  and name HN  ))
   (  segid "    " and resid 149  and name HG2%)
      6.000     4.500     0.000 peak  2947 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.301 ppm2      1.265 CV     1
 ASSI { 2948}
   (( segid "    " and resid 149  and name HN  ))
   (  segid "    " and resid 146  and name HG2%)
      6.000     4.500     0.000 peak  2948 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.297 ppm2      0.749 CV     1
 ASSI { 2954}
   (( segid "    " and resid 100  and name HN  ))
   (( segid "    " and resid 100  and name HB1 ))
      6.000     4.500     0.000 peak  2954 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.504 ppm2      1.795 CV     1
 ASSI { 2959}
   (( segid "    " and resid 71   and name HD22))
   (( segid "    " and resid 71   and name HB2 ))
      6.000     4.500     0.000 peak  2959 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.427 ppm2      3.053 CV     1
 ASSI { 2960}
   (( segid "    " and resid 71   and name HD22))
   (( segid "    " and resid 67   and name HB1 ))
      6.000     4.500     0.000 peak  2960 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.419 ppm2      1.820 CV     1
 OR { 2960}
   (( segid "    " and resid 71   and name HD22))
   (( segid "    " and resid 67   and name HB2 ))
 ASSI { 2963}
   (( segid "    " and resid 71   and name HD21))
   (( segid "    " and resid 68   and name HG2 ))
      6.000     4.500     0.000 peak  2963 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.181 ppm2      2.393 CV     1
 OR { 2963}
   (( segid "    " and resid 71   and name HD21))
   (( segid "    " and resid 68   and name HG1 ))
 ASSI { 2967}
   (( segid "    " and resid 145  and name HE21))
   (( segid "    " and resid 145  and name HE22))
      6.000     4.500     0.000 peak  2967 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.592 ppm2      6.935 CV     1
 ASSI { 2968}
   (( segid "    " and resid 145  and name HE21))
   (  segid "    " and resid 149  and name HG2%)
      6.000     4.500     0.000 peak  2968 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.593 ppm2      1.263 CV     1
 ASSI { 2970}
   (( segid "    " and resid 123  and name HN  ))
   (( segid "    " and resid 125  and name HN  ))
      6.000     4.500     0.000 peak  2970 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.047 ppm2      7.485 CV     1
 ASSI { 2979}
   (( segid "    " and resid 145  and name HE22))
   (( segid "    " and resid 145  and name HB1 ))
      6.000     4.500     0.000 peak  2979 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.940 ppm2      2.215 CV     1
 ASSI { 2980}
   (( segid "    " and resid 145  and name HE22))
   (  segid "    " and resid 149  and name HG2%)
      6.000     4.500     0.000 peak  2980 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.937 ppm2      1.270 CV     1
 ASSI { 2986}
   (( segid "    " and resid 145  and name HE21))
   (( segid "    " and resid 148  and name HB2 ))
      6.000     4.500     0.000 peak  2986 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.591 ppm2      3.257 CV     1
 ASSI { 2987}
   (( segid "    " and resid 145  and name HE21))
   (( segid "    " and resid 145  and name HG1 ))
      6.000     4.500     0.000 peak  2987 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.594 ppm2      2.479 CV     1
 OR { 2987}
   (( segid "    " and resid 145  and name HE21))
   (( segid "    " and resid 145  and name HG2 ))
 ASSI { 2988}
   (( segid "    " and resid 145  and name HE21))
   (( segid "    " and resid 145  and name HB2 ))
      6.000     4.500     0.000 peak  2988 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.593 ppm2      2.318 CV     1
 ASSI { 2992}
   (( segid "    " and resid 145  and name HE21))
   (( segid "    " and resid 145  and name HA  ))
      6.000     4.500     0.000 peak  2992 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.581 ppm2      4.248 CV     1
 ASSI { 2996}
   (( segid "    " and resid 103  and name HD21))
   (( segid "    " and resid 138  and name HA  ))
      6.000     4.500     0.000 peak  2996 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.573 ppm2      4.480 CV     1
 ASSI { 3001}
   (( segid "    " and resid 123  and name HN  ))
   (( segid "    " and resid 122  and name HN  ))
      6.000     4.500     0.000 peak  3001 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.046 ppm2      9.302 CV     1
 ASSI { 3005}
   (( segid "    " and resid 123  and name HN  ))
   (( segid "    " and resid 123  and name HA  ))
      6.000     4.500     0.000 peak  3005 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.046 ppm2      4.338 CV     1
 ASSI { 3006}
   (( segid "    " and resid 123  and name HN  ))
   (( segid "    " and resid 122  and name HA2 ))
      6.000     4.500     0.000 peak  3006 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.043 ppm2      4.090 CV     1
 ASSI { 3007}
   (( segid "    " and resid 123  and name HN  ))
   (( segid "    " and resid 123  and name HB2 ))
      6.000     4.500     0.000 peak  3007 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.046 ppm2      3.173 CV     1
 ASSI { 3008}
   (( segid "    " and resid 123  and name HN  ))
   (( segid "    " and resid 123  and name HB1 ))
      6.000     4.500     0.000 peak  3008 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.043 ppm2      2.913 CV     1
 ASSI { 3009}
   (( segid "    " and resid 123  and name HN  ))
   (( segid "    " and resid 121  and name HD2 ))
      6.000     4.500     0.000 peak  3009 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.047 ppm2      2.593 CV     1
 ASSI { 3012}
   (( segid "    " and resid 123  and name HN  ))
   (  segid "    " and resid 42   and name HG2%)
      6.000     4.500     0.000 peak  3012 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.049 ppm2      1.246 CV     1
 ASSI { 3015}
   (( segid "    " and resid 123  and name HN  ))
   (( segid "    " and resid 125  and name HG  ))
      6.000     4.500     0.000 peak  3015 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.046 ppm2      0.340 CV     1
 ASSI { 3016}
   (( segid "    " and resid 123  and name HN  ))
   (( segid "    " and resid 121  and name HB1 ))
      6.000     4.500     0.000 peak  3016 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.044 ppm2     -0.366 CV     1
 ASSI { 3019}
   (( segid "    " and resid 123  and name HN  ))
   (  segid "    " and resid 125  and name HD1%)
      6.000     4.500     0.000 peak  3019 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.039 ppm2      0.467 CV     1
 ASSI { 3020}
   (( segid "    " and resid 103  and name HD22))
   (( segid "    " and resid 103  and name HA  ))
      6.000     4.500     0.000 peak  3020 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.991 ppm2      5.169 CV     1
 ASSI { 3022}
   (( segid "    " and resid 103  and name HD22))
   (( segid "    " and resid 103  and name HD21))
      6.000     4.500     0.000 peak  3022 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.984 ppm2      7.570 CV     1
 ASSI { 3024}
   (( segid "    " and resid 103  and name HD22))
   (( segid "    " and resid 138  and name HA  ))
      6.000     4.500     0.000 peak  3024 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.984 ppm2      4.482 CV     1
 ASSI { 3027}
   (( segid "    " and resid 103  and name HD22))
   (( segid "    " and resid 103  and name HB2 ))
      6.000     4.500     0.000 peak  3027 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.985 ppm2      2.660 CV     1
 ASSI { 3029}
   (( segid "    " and resid 145  and name HE22))
   (( segid "    " and resid 148  and name HB2 ))
      6.000     4.500     0.000 peak  3029 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.941 ppm2      3.257 CV     1
 ASSI { 3030}
   (( segid "    " and resid 145  and name HE22))
   (( segid "    " and resid 145  and name HG1 ))
      6.000     4.500     0.000 peak  3030 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.939 ppm2      2.468 CV     1
 OR { 3030}
   (( segid "    " and resid 145  and name HE22))
   (( segid "    " and resid 145  and name HG2 ))
 ASSI { 3031}
   (( segid "    " and resid 145  and name HE22))
   (( segid "    " and resid 145  and name HB2 ))
      6.000     4.500     0.000 peak  3031 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.932 ppm2      2.316 CV     1
 ASSI { 3035}
   (( segid "    " and resid 139  and name HN  ))
   (( segid "    " and resid 137  and name HA  ))
      6.000     4.500     0.000 peak  3035 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.500 ppm2      4.310 CV     1
 ASSI { 3037}
   (( segid "    " and resid 139  and name HN  ))
   (( segid "    " and resid 138  and name HB2 ))
      6.000     4.500     0.000 peak  3037 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.498 ppm2      2.425 CV     1
 ASSI { 3038}
   (( segid "    " and resid 139  and name HN  ))
   (( segid "    " and resid 138  and name HG2 ))
      6.000     4.500     0.000 peak  3038 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.499 ppm2      2.006 CV     1
 OR { 3038}
   (( segid "    " and resid 139  and name HN  ))
   (( segid "    " and resid 138  and name HG1 ))
 ASSI { 3039}
   (( segid "    " and resid 139  and name HN  ))
   (( segid "    " and resid 138  and name HB1 ))
      6.000     4.500     0.000 peak  3039 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.499 ppm2      1.849 CV     1
 ASSI { 3044}
   (( segid "    " and resid 139  and name HN  ))
   (  segid "    " and resid 136  and name HG1%)
      6.000     4.500     0.000 peak  3044 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.495 ppm2      1.020 CV     1
 ASSI { 3075}
   (( segid "    " and resid 139  and name HN  ))
   (( segid "    " and resid 140  and name HA2 ))
      6.000     4.500     0.000 peak  3075 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.497 ppm2      4.380 CV     1
 ASSI { 3076}
   (( segid "    " and resid 139  and name HN  ))
   (( segid "    " and resid 114  and name HD1 ))
      6.000     4.500     0.000 peak  3076 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.498 ppm2      4.139 CV     1
 ASSI { 3078}
   (( segid "    " and resid 139  and name HN  ))
   (( segid "    " and resid 140  and name HA1 ))
      6.000     4.500     0.000 peak  3078 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.497 ppm2      3.512 CV     1
 ASSI { 3079}
   (( segid "    " and resid 139  and name HN  ))
   (( segid "    " and resid 137  and name HB1 ))
      6.000     4.500     0.000 peak  3079 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.497 ppm2      3.243 CV     1
 ASSI { 3083}
   (( segid "    " and resid 139  and name HN  ))
   (( segid "    " and resid 140  and name HN  ))
      6.000     4.500     0.000 peak  3083 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.496 ppm2      8.363 CV     1
 ASSI { 3088}
   (( segid "    " and resid 139  and name HN  ))
   (( segid "    " and resid 138  and name HD2 ))
      6.000     4.500     0.000 peak  3088 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.496 ppm2      4.021 CV     1
 OR { 3088}
   (( segid "    " and resid 139  and name HN  ))
   (( segid "    " and resid 138  and name HD1 ))
 ASSI { 3089}
   (( segid "    " and resid 139  and name HN  ))
   (( segid "    " and resid 137  and name HB2 ))
      6.000     4.500     0.000 peak  3089 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.496 ppm2      3.365 CV     1
 ASSI { 3090}
   (( segid "    " and resid 139  and name HN  ))
   (( segid "    " and resid 139  and name HB2 ))
      6.000     4.500     0.000 peak  3090 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.494 ppm2      3.027 CV     1
 ASSI { 3091}
   (( segid "    " and resid 139  and name HN  ))
   (( segid "    " and resid 139  and name HB1 ))
      6.000     4.500     0.000 peak  3091 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.494 ppm2      2.582 CV     1
 ASSI { 3106}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 36   and name HA  ))
      6.000     4.500     0.000 peak  3106 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.368 ppm2      4.808 CV     1
 ASSI { 3111}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 58   and name HA  ))
      6.000     4.500     0.000 peak  3111 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.357 ppm2      4.923 CV     1
 ASSI { 3112}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 35   and name HA  ))
      6.000     4.500     0.000 peak  3112 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.361 ppm2      4.601 CV     1
 ASSI { 3113}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 34   and name HA  ))
      6.000     4.500     0.000 peak  3113 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.364 ppm2      4.510 CV     1
 ASSI { 3115}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 35   and name HB  ))
      6.000     4.500     0.000 peak  3115 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.362 ppm2      4.101 CV     1
 ASSI { 3117}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 33   and name HA  ))
      6.000     4.500     0.000 peak  3117 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.361 ppm2      3.869 CV     1
 ASSI { 3119}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 34   and name HB1 ))
      6.000     4.500     0.000 peak  3119 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.362 ppm2      1.634 CV     1
 ASSI { 3120}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 34   and name HB2 ))
      6.000     4.500     0.000 peak  3120 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.362 ppm2      1.526 CV     1
 ASSI { 3124}
   (( segid "    " and resid 35   and name HN  ))
   (  segid "    " and resid 58   and name HG1%)
      6.000     4.500     0.000 peak  3124 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.363 ppm2      0.984 CV     1
 OR { 3124}
   (( segid "    " and resid 35   and name HN  ))
   (  segid "    " and resid 58   and name HG2%)
 ASSI { 3127}
   (( segid "    " and resid 35   and name HN  ))
   (  segid "    " and resid 2    and name HG1%)
      6.000     4.500     0.000 peak  3127 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.362 ppm2      0.153 CV     1
 ASSI { 3154}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 45   and name HA  ))
      6.000     4.500     0.000 peak  3154 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.318 ppm2      4.433 CV     1
 ASSI { 3155}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 46   and name HA2 ))
      6.000     4.500     0.000 peak  3155 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.319 ppm2      4.266 CV     1
 ASSI { 3156}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 46   and name HA1 ))
      6.000     4.500     0.000 peak  3156 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.319 ppm2      3.865 CV     1
 ASSI { 3157}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 47   and name HD1 ))
      6.000     4.500     0.000 peak  3157 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.319 ppm2      3.696 CV     1
 OR { 3157}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 47   and name HD2 ))
 ASSI { 3161}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 44   and name HB2 ))
      6.000     4.500     0.000 peak  3161 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.321 ppm2      2.170 CV     1
 ASSI { 3163}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 45   and name HB1 ))
      6.000     4.500     0.000 peak  3163 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.319 ppm2      1.579 CV     1
 OR { 3163}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 45   and name HB2 ))
 ASSI { 3164}
   (( segid "    " and resid 46   and name HN  ))
   (  segid "    " and resid 45   and name HD1%)
      6.000     4.500     0.000 peak  3164 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.317 ppm2      0.867 CV     1
 ASSI { 3172}
   (( segid "    " and resid 120  and name HN  ))
   (( segid "    " and resid 120  and name HA  ))
      6.000     4.500     0.000 peak  3172 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.503 ppm2      5.012 CV     1
 ASSI { 3174}
   (( segid "    " and resid 120  and name HN  ))
   (( segid "    " and resid 120  and name HB2 ))
      6.000     4.500     0.000 peak  3174 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.499 ppm2      3.022 CV     1
 ASSI { 3175}
   (( segid "    " and resid 120  and name HN  ))
   (( segid "    " and resid 120  and name HB1 ))
      6.000     4.500     0.000 peak  3175 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.507 ppm2      2.542 CV     1
 ASSI { 3177}
   (( segid "    " and resid 120  and name HN  ))
   (( segid "    " and resid 119  and name HB2 ))
      6.000     4.500     0.000 peak  3177 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.502 ppm2      1.646 CV     1
 ASSI { 3178}
   (( segid "    " and resid 120  and name HN  ))
   (( segid "    " and resid 119  and name HB1 ))
      6.000     4.500     0.000 peak  3178 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.502 ppm2      1.475 CV     1
 ASSI { 3179}
   (( segid "    " and resid 120  and name HN  ))
   (( segid "    " and resid 121  and name HG2 ))
      6.000     4.500     0.000 peak  3179 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.502 ppm2      1.362 CV     1
 ASSI { 3180}
   (( segid "    " and resid 120  and name HN  ))
   (( segid "    " and resid 119  and name HG1 ))
      6.000     4.500     0.000 peak  3180 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.502 ppm2      1.231 CV     1
 ASSI { 3181}
   (( segid "    " and resid 120  and name HN  ))
   (( segid "    " and resid 121  and name HG1 ))
      6.000     4.500     0.000 peak  3181 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.504 ppm2      1.068 CV     1
 ASSI { 3182}
   (( segid "    " and resid 120  and name HN  ))
   (( segid "    " and resid 121  and name HB2 ))
      6.000     4.500     0.000 peak  3182 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.502 ppm2      0.960 CV     1
 ASSI { 3184}
   (( segid "    " and resid 120  and name HN  ))
   (( segid "    " and resid 119  and name HG2 ))
      6.000     4.500     0.000 peak  3184 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.505 ppm2      0.485 CV     1
 ASSI { 3185}
   (( segid "    " and resid 120  and name HN  ))
   (( segid "    " and resid 125  and name HG  ))
      6.000     4.500     0.000 peak  3185 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.498 ppm2      0.344 CV     1
 ASSI { 3186}
   (( segid "    " and resid 120  and name HN  ))
   (( segid "    " and resid 121  and name HB1 ))
      6.000     4.500     0.000 peak  3186 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.506 ppm2     -0.363 CV     1
 ASSI { 3198}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 63   and name HN  ))
      6.000     4.500     0.000 peak  3198 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.283 ppm2      8.241 CV     1
 ASSI { 3199}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 31   and name HA  ))
      6.000     4.500     0.000 peak  3199 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.283 ppm2      5.918 CV     1
 ASSI { 3200}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 62   and name HA  ))
      6.000     4.500     0.000 peak  3200 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.282 ppm2      5.495 CV     1
 ASSI { 3201}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 32   and name HA  ))
      6.000     4.500     0.000 peak  3201 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.283 ppm2      4.938 CV     1
 ASSI { 3203}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 29   and name HA  ))
      6.000     4.500     0.000 peak  3203 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.281 ppm2      4.326 CV     1
 ASSI { 3204}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 30   and name HA  ))
      6.000     4.500     0.000 peak  3204 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.282 ppm2      3.906 CV     1
 ASSI { 3205}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 31   and name HB2 ))
      6.000     4.500     0.000 peak  3205 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.282 ppm2      3.584 CV     1
 OR { 3205}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 31   and name HB1 ))
 ASSI { 3206}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 32   and name HB1 ))
      6.000     4.500     0.000 peak  3206 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.283 ppm2      3.127 CV     1
 ASSI { 3209}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 30   and name HG1 ))
      6.000     4.500     0.000 peak  3209 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.282 ppm2      2.101 CV     1
 ASSI { 3212}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 28   and name HB  ))
      6.000     4.500     0.000 peak  3212 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.281 ppm2      1.513 CV     1
 ASSI { 3221}
   (( segid "    " and resid 19   and name HD22))
   (( segid "    " and resid 19   and name HA  ))
      6.000     4.500     0.000 peak  3221 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.841 ppm2      4.561 CV     1
 ASSI { 3223}
   (( segid "    " and resid 17   and name HE22))
   (( segid "    " and resid 17   and name HG2 ))
      6.000     4.500     0.000 peak  3223 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.842 ppm2      2.318 CV     1
 OR { 3223}
   (( segid "    " and resid 17   and name HE22))
   (( segid "    " and resid 17   and name HG1 ))
 ASSI { 3225}
   (( segid "    " and resid 19   and name HD22))
   (  segid "    " and resid 22   and name HD1%)
      6.000     4.500     0.000 peak  3225 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.837 ppm2      0.830 CV     1
 ASSI { 3228}
   (( segid "    " and resid 17   and name HE21))
   (( segid "    " and resid 17   and name HE22))
      6.000     4.500     0.000 peak  3228 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.772 ppm2      6.830 CV     1
 ASSI { 3231}
   (( segid "    " and resid 17   and name HE21))
   (( segid "    " and resid 11   and name HG  ))
      6.000     4.500     0.000 peak  3231 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.773 ppm2      0.857 CV     1
 ASSI { 3233}
   (( segid "    " and resid 17   and name HE21))
   (( segid "    " and resid 17   and name HG2 ))
      6.000     4.500     0.000 peak  3233 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.769 ppm2      2.323 CV     1
 OR { 3233}
   (( segid "    " and resid 17   and name HE21))
   (( segid "    " and resid 17   and name HG1 ))
 ASSI { 3239}
   (( segid "    " and resid 120  and name HN  ))
   (( segid "    " and resid 118  and name HG2 ))
      6.000     4.500     0.000 peak  3239 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.490 ppm2      3.284 CV     1
 ASSI { 3264}
   (( segid "    " and resid 140  and name HN  ))
   (( segid "    " and resid 138  and name HD2 ))
      6.000     4.500     0.000 peak  3264 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.365 ppm2      4.042 CV     1
 OR { 3264}
   (( segid "    " and resid 140  and name HN  ))
   (( segid "    " and resid 138  and name HD1 ))
 ASSI { 3284}
   (( segid "    " and resid 140  and name HN  ))
   (( segid "    " and resid 137  and name HN  ))
      6.000     4.500     0.000 peak  3284 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.363 ppm2      9.223 CV     1
 ASSI { 3290}
   (( segid "    " and resid 140  and name HN  ))
   (( segid "    " and resid 140  and name HA2 ))
      6.000     4.500     0.000 peak  3290 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.366 ppm2      4.402 CV     1
 ASSI { 3291}
   (( segid "    " and resid 140  and name HN  ))
   (( segid "    " and resid 140  and name HA1 ))
      6.000     4.500     0.000 peak  3291 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.365 ppm2      3.517 CV     1
 ASSI { 3292}
   (( segid "    " and resid 140  and name HN  ))
   (( segid "    " and resid 137  and name HB1 ))
      6.000     4.500     0.000 peak  3292 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.367 ppm2      3.252 CV     1
 ASSI { 3293}
   (( segid "    " and resid 140  and name HN  ))
   (( segid "    " and resid 139  and name HB2 ))
      6.000     4.500     0.000 peak  3293 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.366 ppm2      3.042 CV     1
 ASSI { 3294}
   (( segid "    " and resid 140  and name HN  ))
   (( segid "    " and resid 139  and name HB1 ))
      6.000     4.500     0.000 peak  3294 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.367 ppm2      2.617 CV     1
 ASSI { 3295}
   (( segid "    " and resid 140  and name HN  ))
   (( segid "    " and resid 138  and name HB2 ))
      6.000     4.500     0.000 peak  3295 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.364 ppm2      2.403 CV     1
 ASSI { 3298}
   (( segid "    " and resid 140  and name HN  ))
   (( segid "    " and resid 141  and name HB2 ))
      6.000     4.500     0.000 peak  3298 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.367 ppm2      1.852 CV     1
 ASSI { 3300}
   (( segid "    " and resid 140  and name HN  ))
   (  segid "    " and resid 136  and name HG1%)
      6.000     4.500     0.000 peak  3300 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.366 ppm2      1.017 CV     1
 ASSI { 3315}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 79   and name HN  ))
      6.000     4.500     0.000 peak  3315 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.604 ppm2      8.598 CV     1
 ASSI { 3317}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 80   and name HA  ))
      6.000     4.500     0.000 peak  3317 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.603 ppm2      4.595 CV     1
 ASSI { 3318}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 81   and name HA1 ))
      6.000     4.500     0.000 peak  3318 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.604 ppm2      4.152 CV     1
 OR { 3318}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 81   and name HA2 ))
 ASSI { 3319}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 77   and name HA  ))
      6.000     4.500     0.000 peak  3319 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.606 ppm2      3.680 CV     1
 ASSI { 3320}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 77   and name HB1 ))
      6.000     4.500     0.000 peak  3320 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.605 ppm2      1.848 CV     1
 ASSI { 3323}
   (( segid "    " and resid 81   and name HN  ))
   (  segid "    " and resid 94   and name HD2%)
      6.000     4.500     0.000 peak  3323 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.604 ppm2      0.743 CV     1
 OR { 3323}
   (( segid "    " and resid 81   and name HN  ))
   (  segid "    " and resid 94   and name HD1%)
 ASSI { 3326}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 80   and name HB1 ))
      6.000     4.500     0.000 peak  3326 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.604 ppm2      2.319 CV     1
 OR { 3326}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 80   and name HB2 ))
 ASSI { 3327}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 94   and name HB2 ))
      6.000     4.500     0.000 peak  3327 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.596 ppm2      1.693 CV     1
 ASSI { 3329}
   (( segid "    " and resid 131  and name HN  ))
   (( segid "    " and resid 128  and name HB2 ))
      6.000     4.500     0.000 peak  3329 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.918 ppm2      2.002 CV     1
 ASSI { 3332}
   (( segid "    " and resid 131  and name HN  ))
   (( segid "    " and resid 37   and name HN  ))
      6.000     4.500     0.000 peak  3332 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.929 ppm2      9.226 CV     1
 ASSI { 3338}
   (( segid "    " and resid 131  and name HN  ))
   (( segid "    " and resid 132  and name HA  ))
      6.000     4.500     0.000 peak  3338 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.917 ppm2      4.779 CV     1
 ASSI { 3339}
   (( segid "    " and resid 131  and name HN  ))
   (( segid "    " and resid 131  and name HA  ))
      6.000     4.500     0.000 peak  3339 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.917 ppm2      4.479 CV     1
 ASSI { 3341}
   (( segid "    " and resid 131  and name HN  ))
   (( segid "    " and resid 133  and name HD1 ))
      6.000     4.500     0.000 peak  3341 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.912 ppm2      3.104 CV     1
 ASSI { 3342}
   (( segid "    " and resid 131  and name HN  ))
   (( segid "    " and resid 130  and name HB2 ))
      6.000     4.500     0.000 peak  3342 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.918 ppm2      2.612 CV     1
 ASSI { 3343}
   (( segid "    " and resid 131  and name HN  ))
   (( segid "    " and resid 130  and name HB1 ))
      6.000     4.500     0.000 peak  3343 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.917 ppm2      2.290 CV     1
 OR { 3343}
   (( segid "    " and resid 131  and name HN  ))
   (( segid "    " and resid 130  and name HG1 ))
 ASSI { 3344}
   (( segid "    " and resid 131  and name HN  ))
   (( segid "    " and resid 131  and name HB  ))
      6.000     4.500     0.000 peak  3344 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.917 ppm2      2.133 CV     1
 ASSI { 3345}
   (( segid "    " and resid 131  and name HN  ))
   (( segid "    " and resid 131  and name HG12))
      6.000     4.500     0.000 peak  3345 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.915 ppm2      1.607 CV     1
 ASSI { 3346}
   (( segid "    " and resid 131  and name HN  ))
   (( segid "    " and resid 131  and name HG11))
      6.000     4.500     0.000 peak  3346 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.915 ppm2      1.487 CV     1
 ASSI { 3347}
   (( segid "    " and resid 131  and name HN  ))
   (  segid "    " and resid 57   and name HB% )
      6.000     4.500     0.000 peak  3347 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.917 ppm2      1.358 CV     1
 ASSI { 3349}
   (( segid "    " and resid 131  and name HN  ))
   (  segid "    " and resid 132  and name HB% )
      6.000     4.500     0.000 peak  3349 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.915 ppm2      0.992 CV     1
 ASSI { 3351}
   (( segid "    " and resid 131  and name HN  ))
   (( segid "    " and resid 128  and name HG  ))
      6.000     4.500     0.000 peak  3351 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.914 ppm2      0.280 CV     1
 ASSI { 3353}
   (( segid "    " and resid 131  and name HN  ))
   (( segid "    " and resid 133  and name HG1 ))
      6.000     4.500     0.000 peak  3353 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.907 ppm2      1.817 CV     1
 OR { 3353}
   (( segid "    " and resid 131  and name HN  ))
   (( segid "    " and resid 133  and name HG2 ))
 ASSI { 3358}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 33   and name HN  ))
      6.000     4.500     0.000 peak  3358 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.588 ppm2      9.170 CV     1
 ASSI { 3360}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 23   and name HN  ))
      6.000     4.500     0.000 peak  3360 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.582 ppm2      7.725 CV     1
 ASSI { 3366}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 24   and name HA  ))
      6.000     4.500     0.000 peak  3366 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.584 ppm2      4.176 CV     1
 ASSI { 3367}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 26   and name HA1 ))
      6.000     4.500     0.000 peak  3367 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.582 ppm2      3.885 CV     1
 ASSI { 3369}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 27   and name HB1 ))
      6.000     4.500     0.000 peak  3369 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.582 ppm2      2.579 CV     1
 ASSI { 3370}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 25   and name HB2 ))
      6.000     4.500     0.000 peak  3370 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.580 ppm2      2.126 CV     1
 ASSI { 3371}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 25   and name HG  ))
      6.000     4.500     0.000 peak  3371 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.581 ppm2      1.931 CV     1
 ASSI { 3375}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 25   and name HB1 ))
      6.000     4.500     0.000 peak  3375 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.579 ppm2      1.235 CV     1
 ASSI { 3380}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 27   and name HB2 ))
      6.000     4.500     0.000 peak  3380 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.584 ppm2      2.899 CV     1
 ASSI {    1}
   (( segid "    " and resid 108  and name HB  ))
   (  segid "    " and resid 108  and name HG2%)
      6.000     4.500     0.000 peak     1 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.640 ppm2      1.201 CV     1
 ASSI {    1}
   (( segid "    " and resid 112  and name HB  ))
   (( segid "    " and resid 116  and name HN  ))
      6.000     4.500     0.000 peak     1 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.351 ppm2      8.357 CV     1
 ASSI {    2}
   (( segid "    " and resid 112  and name HB  ))
   (  segid "    " and resid 112  and name HG2%)
      6.000     4.500     0.000 peak     2 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.347 ppm2      1.433 CV     1
 ASSI {    8}
   (( segid "    " and resid 62   and name HB  ))
   (( segid "    " and resid 62   and name HA  ))
      6.000     4.500     0.000 peak     8 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.805 ppm2      5.503 CV     1
 ASSI {    9}
   (( segid "    " and resid 62   and name HB  ))
   (( segid "    " and resid 64   and name HB1 ))
      6.000     4.500     0.000 peak     9 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.801 ppm2      1.479 CV     1
 ASSI {   11}
   (( segid "    " and resid 62   and name HB  ))
   (  segid "    " and resid 62   and name HG2%)
      6.000     4.500     0.000 peak    11 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.804 ppm2      1.091 CV     1
 ASSI {   12}
   (( segid "    " and resid 62   and name HB  ))
   (  segid "    " and resid 69   and name HD1%)
      6.000     4.500     0.000 peak    12 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.801 ppm2      0.947 CV     1
 OR {   12}
   (( segid "    " and resid 62   and name HB  ))
   (  segid "    " and resid 69   and name HD2%)
 ASSI {   13}
   (( segid "    " and resid 62   and name HB  ))
   (  segid "    " and resid 64   and name HD1%)
      6.000     4.500     0.000 peak    13 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.809 ppm2      0.706 CV     1
 OR {   13}
   (( segid "    " and resid 62   and name HB  ))
   (  segid "    " and resid 64   and name HD2%)
 ASSI {   14}
   (( segid "    " and resid 62   and name HB  ))
   (( segid "    " and resid 31   and name HB1 ))
      6.000     4.500     0.000 peak    14 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.796 ppm2      3.596 CV     1
 OR {   14}
   (( segid "    " and resid 62   and name HB  ))
   (( segid "    " and resid 31   and name HB2 ))
 ASSI {   16}
   (( segid "    " and resid 42   and name HB  ))
   (( segid "    " and resid 43   and name HD2 ))
      6.000     4.500     0.000 peak    16 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.152 ppm2      3.831 CV     1
 OR {   16}
   (( segid "    " and resid 42   and name HB  ))
   (( segid "    " and resid 43   and name HD1 ))
 ASSI {   18}
   (( segid "    " and resid 42   and name HB  ))
   (( segid "    " and resid 42   and name HN  ))
      6.000     4.500     0.000 peak    18 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.145 ppm2      9.605 CV     1
 ASSI {   23}
   (( segid "    " and resid 35   and name HB  ))
   (( segid "    " and resid 35   and name HA  ))
      6.000     4.500     0.000 peak    23 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.104 ppm2      4.593 CV     1
 ASSI {   24}
   (( segid "    " and resid 35   and name HB  ))
   (( segid "    " and resid 131  and name HA  ))
      6.000     4.500     0.000 peak    24 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.103 ppm2      4.472 CV     1
 ASSI {   26}
   (( segid "    " and resid 35   and name HB  ))
   (( segid "    " and resid 131  and name HB  ))
      6.000     4.500     0.000 peak    26 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.101 ppm2      2.124 CV     1
 ASSI {   28}
   (( segid "    " and resid 35   and name HB  ))
   (( segid "    " and resid 34   and name HB2 ))
      6.000     4.500     0.000 peak    28 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.100 ppm2      1.511 CV     1
 ASSI {   30}
   (( segid "    " and resid 35   and name HB  ))
   (  segid "    " and resid 35   and name HG2%)
      6.000     4.500     0.000 peak    30 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.102 ppm2      1.236 CV     1
 ASSI {   37}
   (( segid "    " and resid 149  and name HB  ))
   (  segid "    " and resid 149  and name HG2%)
      6.000     4.500     0.000 peak    37 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.184 ppm2      1.259 CV     1
 ASSI {   40}
   (( segid "    " and resid 93   and name HB  ))
   (  segid "    " and resid 93   and name HG2%)
      6.000     4.500     0.000 peak    40 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.389 ppm2      1.164 CV     1
 ASSI {   41}
   (( segid "    " and resid 149  and name HB  ))
   (( segid "    " and resid 146  and name HA  ))
      6.000     4.500     0.000 peak    41 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.192 ppm2      3.640 CV     1
 ASSI {   44}
   (( segid "    " and resid 149  and name HB  ))
   (( segid "    " and resid 151  and name HN  ))
      6.000     4.500     0.000 peak    44 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.183 ppm2      7.560 CV     1
 ASSI {   45}
   (( segid "    " and resid 1    and name HB  ))
   (( segid "    " and resid 62   and name HN  ))
      6.000     4.500     0.000 peak    45 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.531 ppm2      9.200 CV     1
 ASSI {   46}
   (( segid "    " and resid 1    and name HB  ))
   (( segid "    " and resid 2    and name HN  ))
      6.000     4.500     0.000 peak    46 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.527 ppm2      8.749 CV     1
 ASSI {   48}
   (( segid "    " and resid 1    and name HB  ))
   (( segid "    " and resid 1    and name HG21))
      6.000     4.500     0.000 peak    48 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.525 ppm2      0.512 CV     1
 ASSI {   49}
   (( segid "    " and resid 1    and name HB  ))
   (  segid "    " and resid 62   and name HG2%)
      6.000     4.500     0.000 peak    49 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.523 ppm2      1.088 CV     1
 ASSI {   52}
   (( segid "    " and resid 31   and name HB1 ))
   (( segid "    " and resid 31   and name HA  ))
      6.000     4.500     0.000 peak    52 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.577 ppm2      5.917 CV     1
 OR {   52}
   (( segid "    " and resid 31   and name HB2 ))
   (( segid "    " and resid 31   and name HA  ))
 ASSI {   53}
   (( segid "    " and resid 31   and name HB2 ))
   (( segid "    " and resid 28   and name HB  ))
      6.000     4.500     0.000 peak    53 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.575 ppm2      1.526 CV     1
 OR {   53}
   (( segid "    " and resid 31   and name HB1 ))
   (( segid "    " and resid 28   and name HB  ))
 ASSI {   54}
   (( segid "    " and resid 31   and name HB1 ))
   (( segid "    " and resid 60   and name HG  ))
      6.000     4.500     0.000 peak    54 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.572 ppm2      1.266 CV     1
 OR {   54}
   (( segid "    " and resid 31   and name HB2 ))
   (( segid "    " and resid 60   and name HG  ))
 ASSI {   55}
   (( segid "    " and resid 31   and name HB1 ))
   (  segid "    " and resid 60   and name HD2%)
      6.000     4.500     0.000 peak    55 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.575 ppm2      0.669 CV     1
 OR {   55}
   (( segid "    " and resid 31   and name HB2 ))
   (  segid "    " and resid 60   and name HD2%)
 ASSI {   61}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 18   and name HB  ))
      6.000     4.500     0.000 peak    61 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.324 ppm2      1.580 CV     1
 ASSI {   62}
   (( segid "    " and resid 18   and name HA  ))
   (  segid "    " and resid 21   and name HB% )
      6.000     4.500     0.000 peak    62 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.325 ppm2      1.435 CV     1
 ASSI {   63}
   (( segid "    " and resid 18   and name HA  ))
   (  segid "    " and resid 18   and name HG2%)
      6.000     4.500     0.000 peak    63 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.323 ppm2      0.648 CV     1
 ASSI {   64}
   (( segid "    " and resid 18   and name HA  ))
   (  segid "    " and resid 18   and name HG1%)
      6.000     4.500     0.000 peak    64 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.326 ppm2      0.287 CV     1
 ASSI {   69}
   (( segid "    " and resid 73   and name HB  ))
   (( segid "    " and resid 76   and name HN  ))
      6.000     4.500     0.000 peak    69 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.914 ppm2      8.083 CV     1
 ASSI {   70}
   (( segid "    " and resid 73   and name HB  ))
   (( segid "    " and resid 73   and name HA  ))
      6.000     4.500     0.000 peak    70 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.908 ppm2      4.243 CV     1
 ASSI {   71}
   (( segid "    " and resid 73   and name HB  ))
   (( segid "    " and resid 96   and name HB2 ))
      6.000     4.500     0.000 peak    71 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.912 ppm2      2.070 CV     1
 ASSI {   72}
   (( segid "    " and resid 73   and name HB  ))
   (  segid "    " and resid 73   and name HG2%)
      6.000     4.500     0.000 peak    72 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.912 ppm2      1.043 CV     1
 ASSI {   75}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 94   and name HG  ))
      6.000     4.500     0.000 peak    75 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.325 ppm2      0.788 CV     1
 ASSI {   76}
   (( segid "    " and resid 18   and name HA  ))
   (  segid "    " and resid 54   and name HD1%)
      6.000     4.500     0.000 peak    76 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.321 ppm2      0.168 CV     1
 ASSI {   78}
   (( segid "    " and resid 73   and name HA  ))
   (  segid "    " and resid 73   and name HG2%)
      6.000     4.500     0.000 peak    78 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.240 ppm2      1.042 CV     1
 ASSI {   79}
   (( segid "    " and resid 73   and name HA  ))
   (  segid "    " and resid 96   and name HD1%)
      6.000     4.500     0.000 peak    79 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.237 ppm2      0.948 CV     1
 OR {   79}
   (( segid "    " and resid 73   and name HA  ))
   (( segid "    " and resid 96   and name HB1 ))
 ASSI {   82}
   (( segid "    " and resid 66   and name HA  ))
   (( segid "    " and resid 67   and name HN  ))
      6.000     4.500     0.000 peak    82 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.344 ppm2      8.729 CV     1
 ASSI {   85}
   (( segid "    " and resid 66   and name HA  ))
   (  segid "    " and resid 101  and name HD% )
      6.000     4.500     0.000 peak    85 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.347 ppm2      7.024 CV     1
 ASSI {   86}
   (( segid "    " and resid 66   and name HA  ))
   (( segid "    " and resid 69   and name HB2 ))
      6.000     4.500     0.000 peak    86 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.342 ppm2      2.194 CV     1
 ASSI {   88}
   (( segid "    " and resid 66   and name HA  ))
   (( segid "    " and resid 66   and name HB2 ))
      6.000     4.500     0.000 peak    88 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.343 ppm2      1.258 CV     1
 ASSI {   90}
   (( segid "    " and resid 66   and name HA  ))
   (( segid "    " and resid 66   and name HB1 ))
      6.000     4.500     0.000 peak    90 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.344 ppm2      0.520 CV     1
 ASSI {   96}
   (( segid "    " and resid 66   and name HA  ))
   (  segid "    " and resid 65   and name HB% )
      6.000     4.500     0.000 peak    96 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.338 ppm2      1.413 CV     1
 ASSI {   97}
   (( segid "    " and resid 66   and name HA  ))
   (( segid "    " and resid 66   and name HG2 ))
      6.000     4.500     0.000 peak    97 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.340 ppm2      0.763 CV     1
 ASSI {  100}
   (( segid "    " and resid 138  and name HA  ))
   (( segid "    " and resid 138  and name HB2 ))
      6.000     4.500     0.000 peak   100 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.482 ppm2      2.396 CV     1
 ASSI {  104}
   (( segid "    " and resid 127  and name HA  ))
   (( segid "    " and resid 127  and name HB2 ))
      6.000     4.500     0.000 peak   104 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.442 ppm2      2.609 CV     1
 ASSI {  105}
   (( segid "    " and resid 127  and name HA  ))
   (( segid "    " and resid 127  and name HG1 ))
      6.000     4.500     0.000 peak   105 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.442 ppm2      1.447 CV     1
 ASSI {  109}
   (( segid "    " and resid 37   and name HB2 ))
   (  segid "    " and resid 39   and name HD% )
      6.000     4.500     0.000 peak   109 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.047 ppm2      6.964 CV     1
 OR {  109}
   (( segid "    " and resid 37   and name HB1 ))
   (  segid "    " and resid 39   and name HD% )
 ASSI {  111}
   (( segid "    " and resid 37   and name HB1 ))
   (  segid "    " and resid 57   and name HB% )
      6.000     4.500     0.000 peak   111 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.043 ppm2      1.329 CV     1
 OR {  111}
   (( segid "    " and resid 37   and name HB2 ))
   (  segid "    " and resid 57   and name HB% )
 ASSI {  115}
   (( segid "    " and resid 76   and name HA  ))
   (  segid "    " and resid 76   and name HG2%)
      6.000     4.500     0.000 peak   115 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.747 ppm2      0.864 CV     1
 ASSI {  118}
   (( segid "    " and resid 9    and name HB2 ))
   (  segid "    " and resid 18   and name HG2%)
      6.000     4.500     0.000 peak   118 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.682 ppm2      0.645 CV     1
 ASSI {  119}
   (( segid "    " and resid 9    and name HB2 ))
   (( segid "    " and resid 9    and name HB1 ))
      6.000     4.500     0.000 peak   119 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.673 ppm2      3.164 CV     1
 ASSI {  124}
   (( segid "    " and resid 9    and name HB1 ))
   (( segid "    " and resid 54   and name HB2 ))
      6.000     4.500     0.000 peak   124 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.174 ppm2      0.905 CV     1
 ASSI {  127}
   (( segid "    " and resid 9    and name HB1 ))
   (  segid "    " and resid 18   and name HG2%)
      6.000     4.500     0.000 peak   127 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.171 ppm2      0.650 CV     1
 ASSI {  132}
   (( segid "    " and resid 138  and name HA  ))
   (( segid "    " and resid 138  and name HB1 ))
      6.000     4.500     0.000 peak   132 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.481 ppm2      1.831 CV     1
 ASSI {  134}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 76   and name HB  ))
      6.000     4.500     0.000 peak   134 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.759 ppm2      1.884 CV     1
 ASSI {  137}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 79   and name HG1 ))
      6.000     4.500     0.000 peak   137 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.748 ppm2      2.471 CV     1
 ASSI {  138}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 76   and name HG12))
      6.000     4.500     0.000 peak   138 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.752 ppm2      2.095 CV     1
 OR {  138}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 76   and name HG11))
 ASSI {  141}
   (( segid "    " and resid 76   and name HA  ))
   (  segid "    " and resid 94   and name HD2%)
      6.000     4.500     0.000 peak   141 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.751 ppm2      0.736 CV     1
 ASSI {  142}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 77   and name HN  ))
      6.000     4.500     0.000 peak   142 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.743 ppm2      8.295 CV     1
 ASSI {  144}
   (( segid "    " and resid 146  and name HA  ))
   (( segid "    " and resid 149  and name HN  ))
      6.000     4.500     0.000 peak   144 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.644 ppm2      8.277 CV     1
 ASSI {  146}
   (( segid "    " and resid 146  and name HA  ))
   (( segid "    " and resid 147  and name HN  ))
      6.000     4.500     0.000 peak   146 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.636 ppm2      7.426 CV     1
 ASSI {  147}
   (( segid "    " and resid 146  and name HA  ))
   (( segid "    " and resid 141  and name HG2 ))
      6.000     4.500     0.000 peak   147 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.635 ppm2      2.282 CV     1
 ASSI {  149}
   (( segid "    " and resid 146  and name HA  ))
   (( segid "    " and resid 146  and name HG12))
      6.000     4.500     0.000 peak   149 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.634 ppm2      1.589 CV     1
 ASSI {  150}
   (( segid "    " and resid 146  and name HA  ))
   (( segid "    " and resid 146  and name HG11))
      6.000     4.500     0.000 peak   150 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.634 ppm2      0.965 CV     1
 ASSI {  151}
   (( segid "    " and resid 146  and name HA  ))
   (  segid "    " and resid 146  and name HG2%)
      6.000     4.500     0.000 peak   151 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.636 ppm2      0.750 CV     1
 ASSI {  156}
   (( segid "    " and resid 146  and name HA  ))
   (( segid "    " and resid 146  and name HB  ))
      6.000     4.500     0.000 peak   156 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.635 ppm2      1.797 CV     1
 ASSI {  157}
   (( segid "    " and resid 146  and name HA  ))
   (  segid "    " and resid 149  and name HG2%)
      6.000     4.500     0.000 peak   157 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.639 ppm2      1.269 CV     1
 ASSI {  158}
   (( segid "    " and resid 146  and name HA  ))
   (  segid "    " and resid 146  and name HD1%)
      6.000     4.500     0.000 peak   158 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.634 ppm2      0.476 CV     1
 ASSI {  162}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 11   and name HB1 ))
      6.000     4.500     0.000 peak   162 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.298 ppm2      1.271 CV     1
 OR {  162}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 11   and name HB2 ))
 ASSI {  163}
   (( segid "    " and resid 14   and name HA  ))
   (  segid "    " and resid 18   and name HG2%)
      6.000     4.500     0.000 peak   163 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.300 ppm2      0.652 CV     1
 ASSI {  168}
   (( segid "    " and resid 133  and name HA  ))
   (( segid "    " and resid 133  and name HD2 ))
      6.000     4.500     0.000 peak   168 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.138 ppm2      3.388 CV     1
 ASSI {  169}
   (( segid "    " and resid 133  and name HA  ))
   (( segid "    " and resid 133  and name HD1 ))
      6.000     4.500     0.000 peak   169 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.137 ppm2      3.116 CV     1
 ASSI {  170}
   (( segid "    " and resid 133  and name HA  ))
   (( segid "    " and resid 144  and name HB1 ))
      6.000     4.500     0.000 peak   170 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.140 ppm2      1.777 CV     1
 ASSI {  171}
   (( segid "    " and resid 133  and name HA  ))
   (( segid "    " and resid 133  and name HB1 ))
      6.000     4.500     0.000 peak   171 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.140 ppm2      1.591 CV     1
 ASSI {  172}
   (( segid "    " and resid 133  and name HA  ))
   (( segid "    " and resid 133  and name HB2 ))
      6.000     4.500     0.000 peak   172 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.137 ppm2      1.495 CV     1
 ASSI {  173}
   (( segid "    " and resid 133  and name HA  ))
   (( segid "    " and resid 143  and name HG  ))
      6.000     4.500     0.000 peak   173 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.139 ppm2      0.957 CV     1
 ASSI {  174}
   (( segid "    " and resid 133  and name HA  ))
   (  segid "    " and resid 129  and name HD% )
      6.000     4.500     0.000 peak   174 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.135 ppm2      7.210 CV     1
 ASSI {  175}
   (( segid "    " and resid 133  and name HA  ))
   (( segid "    " and resid 129  and name HA  ))
      6.000     4.500     0.000 peak   175 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.135 ppm2      3.876 CV     1
 ASSI {  178}
   (( segid "    " and resid 149  and name HA  ))
   (( segid "    " and resid 149  and name HN  ))
      6.000     4.500     0.000 peak   178 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.031 ppm2      8.289 CV     1
 ASSI {  179}
   (( segid "    " and resid 149  and name HA  ))
   (( segid "    " and resid 150  and name HN  ))
      6.000     4.500     0.000 peak   179 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.028 ppm2      7.845 CV     1
 ASSI {  180}
   (( segid "    " and resid 149  and name HA  ))
   (( segid "    " and resid 150  and name HG1 ))
      6.000     4.500     0.000 peak   180 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.028 ppm2      1.412 CV     1
 ASSI {  189}
   (( segid "    " and resid 149  and name HA  ))
   (  segid "    " and resid 149  and name HG2%)
      6.000     4.500     0.000 peak   189 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.031 ppm2      1.258 CV     1
 ASSI {  195}
   (( segid "    " and resid 47   and name HA  ))
   (( segid "    " and resid 47   and name HD2 ))
      6.000     4.500     0.000 peak   195 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.426 ppm2      3.681 CV     1
 OR {  195}
   (( segid "    " and resid 47   and name HA  ))
   (( segid "    " and resid 47   and name HD1 ))
 ASSI {  196}
   (( segid "    " and resid 47   and name HA  ))
   (( segid "    " and resid 47   and name HG1 ))
      6.000     4.500     0.000 peak   196 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.423 ppm2      2.021 CV     1
 OR {  196}
   (( segid "    " and resid 47   and name HA  ))
   (( segid "    " and resid 47   and name HG2 ))
 ASSI {  198}
   (( segid "    " and resid 47   and name HA  ))
   (( segid "    " and resid 47   and name HB2 ))
      6.000     4.500     0.000 peak   198 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.422 ppm2      2.310 CV     1
 ASSI {  202}
   (( segid "    " and resid 63   and name HB1 ))
   (( segid "    " and resid 62   and name HA  ))
      6.000     4.500     0.000 peak   202 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.068 ppm2      5.497 CV     1
 OR {  202}
   (( segid "    " and resid 63   and name HB2 ))
   (( segid "    " and resid 62   and name HA  ))
 ASSI {  203}
   (( segid "    " and resid 63   and name HB1 ))
   (( segid "    " and resid 63   and name HA  ))
      6.000     4.500     0.000 peak   203 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.039 ppm2      4.961 CV     1
 OR {  203}
   (( segid "    " and resid 63   and name HB2 ))
   (( segid "    " and resid 63   and name HA  ))
 ASSI {  204}
   (( segid "    " and resid 63   and name HB2 ))
   (( segid "    " and resid 30   and name HG1 ))
      6.000     4.500     0.000 peak   204 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.039 ppm2      2.112 CV     1
 OR {  204}
   (( segid "    " and resid 63   and name HB1 ))
   (( segid "    " and resid 30   and name HG1 ))
 ASSI {  210}
   (( segid "    " and resid 29   and name HA  ))
   (( segid "    " and resid 30   and name HA  ))
      6.000     4.500     0.000 peak   210 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.311 ppm2      3.906 CV     1
 ASSI {  211}
   (( segid "    " and resid 29   and name HA  ))
   (( segid "    " and resid 29   and name HB2 ))
      6.000     4.500     0.000 peak   211 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.309 ppm2      2.377 CV     1
 ASSI {  212}
   (( segid "    " and resid 29   and name HA  ))
   (( segid "    " and resid 29   and name HG2 ))
      6.000     4.500     0.000 peak   212 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.311 ppm2      2.018 CV     1
 OR {  212}
   (( segid "    " and resid 29   and name HA  ))
   (( segid "    " and resid 29   and name HG1 ))
 ASSI {  213}
   (( segid "    " and resid 29   and name HA  ))
   (( segid "    " and resid 29   and name HB1 ))
      6.000     4.500     0.000 peak   213 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.308 ppm2      1.879 CV     1
 ASSI {  220}
   (( segid "    " and resid 98   and name HA  ))
   (( segid "    " and resid 98   and name HB  ))
      6.000     4.500     0.000 peak   220 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.178 ppm2      2.092 CV     1
 ASSI {  221}
   (( segid "    " and resid 98   and name HA  ))
   (( segid "    " and resid 98   and name HG12))
      6.000     4.500     0.000 peak   221 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.182 ppm2      1.870 CV     1
 ASSI {  222}
   (( segid "    " and resid 98   and name HA  ))
   (( segid "    " and resid 5    and name HG11))
      6.000     4.500     0.000 peak   222 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.177 ppm2      1.075 CV     1
 ASSI {  223}
   (( segid "    " and resid 98   and name HA  ))
   (( segid "    " and resid 98   and name HG11))
      6.000     4.500     0.000 peak   223 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.178 ppm2      0.939 CV     1
 ASSI {  230}
   (( segid "    " and resid 112  and name HA  ))
   (( segid "    " and resid 107  and name HN  ))
      6.000     4.500     0.000 peak   230 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.211 ppm2      9.199 CV     1
 ASSI {  232}
   (( segid "    " and resid 112  and name HA  ))
   (( segid "    " and resid 113  and name HB  ))
      6.000     4.500     0.000 peak   232 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.212 ppm2      1.848 CV     1
 ASSI {  233}
   (( segid "    " and resid 112  and name HA  ))
   (  segid "    " and resid 112  and name HG2%)
      6.000     4.500     0.000 peak   233 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.211 ppm2      1.432 CV     1
 ASSI {  236}
   (( segid "    " and resid 112  and name HA  ))
   (( segid "    " and resid 112  and name HN  ))
      6.000     4.500     0.000 peak   236 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.203 ppm2      9.707 CV     1
 ASSI {  238}
   (( segid "    " and resid 2    and name HA  ))
   (  segid "    " and resid 62   and name HG2%)
      6.000     4.500     0.000 peak   238 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.215 ppm2      1.064 CV     1
 ASSI {  241}
   (( segid "    " and resid 2    and name HA  ))
   (  segid "    " and resid 3    and name HB% )
      6.000     4.500     0.000 peak   241 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.209 ppm2      1.209 CV     1
 ASSI {  242}
   (( segid "    " and resid 2    and name HA  ))
   (  segid "    " and resid 2    and name HG2%)
      6.000     4.500     0.000 peak   242 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.214 ppm2      0.769 CV     1
 ASSI {  243}
   (( segid "    " and resid 2    and name HA  ))
   (( segid "    " and resid 1    and name HG21))
      6.000     4.500     0.000 peak   243 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.212 ppm2      0.517 CV     1
 ASSI {  244}
   (( segid "    " and resid 2    and name HA  ))
   (  segid "    " and resid 2    and name HG1%)
      6.000     4.500     0.000 peak   244 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.213 ppm2      0.123 CV     1
 ASSI {  248}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 33   and name HB  ))
      6.000     4.500     0.000 peak   248 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.868 ppm2      1.763 CV     1
 ASSI {  249}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 33   and name HG12))
      6.000     4.500     0.000 peak   249 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.868 ppm2      1.560 CV     1
 OR {  249}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 33   and name HG11))
 ASSI {  251}
   (( segid "    " and resid 91   and name HA  ))
   (( segid "    " and resid 91   and name HB2 ))
      6.000     4.500     0.000 peak   251 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.574 ppm2      2.251 CV     1
 ASSI {  255}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 44   and name HB1 ))
      6.000     4.500     0.000 peak   255 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.445 ppm2      2.189 CV     1
 OR {  255}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 44   and name HB2 ))
 ASSI {  258}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 51   and name HB1 ))
      6.000     4.500     0.000 peak   258 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.433 ppm2      2.006 CV     1
 ASSI {  260}
   (( segid "    " and resid 44   and name HA  ))
   (( segid "    " and resid 46   and name HN  ))
      6.000     4.500     0.000 peak   260 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.376 ppm2      8.326 CV     1
 ASSI {  261}
   (( segid "    " and resid 44   and name HA  ))
   (( segid "    " and resid 45   and name HN  ))
      6.000     4.500     0.000 peak   261 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.376 ppm2      8.188 CV     1
 ASSI {  262}
   (( segid "    " and resid 44   and name HA  ))
   (( segid "    " and resid 44   and name HB1 ))
      6.000     4.500     0.000 peak   262 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.376 ppm2      2.159 CV     1
 OR {  262}
   (( segid "    " and resid 44   and name HA  ))
   (( segid "    " and resid 44   and name HB2 ))
 ASSI {  265}
   (( segid "    " and resid 114  and name HA  ))
   (( segid "    " and resid 113  and name HA  ))
      6.000     4.500     0.000 peak   265 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.429 ppm2      4.310 CV     1
 ASSI {  266}
   (( segid "    " and resid 114  and name HA  ))
   (( segid "    " and resid 114  and name HD1 ))
      6.000     4.500     0.000 peak   266 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.428 ppm2      4.168 CV     1
 ASSI {  267}
   (( segid "    " and resid 114  and name HA  ))
   (  segid "    " and resid 113  and name HG2%)
      6.000     4.500     0.000 peak   267 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.426 ppm2      1.140 CV     1
 ASSI {  269}
   (( segid "    " and resid 114  and name HA  ))
   (( segid "    " and resid 114  and name HD2 ))
      6.000     4.500     0.000 peak   269 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.421 ppm2      3.650 CV     1
 ASSI {  270}
   (( segid "    " and resid 114  and name HA  ))
   (( segid "    " and resid 114  and name HB2 ))
      6.000     4.500     0.000 peak   270 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.425 ppm2      2.835 CV     1
 ASSI {  271}
   (( segid "    " and resid 114  and name HA  ))
   (( segid "    " and resid 114  and name HB1 ))
      6.000     4.500     0.000 peak   271 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.424 ppm2      2.061 CV     1
 ASSI {  272}
   (( segid "    " and resid 114  and name HA  ))
   (( segid "    " and resid 113  and name HB  ))
      6.000     4.500     0.000 peak   272 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.422 ppm2      1.861 CV     1
 ASSI {  273}
   (( segid "    " and resid 114  and name HA  ))
   (  segid "    " and resid 113  and name HG1%)
      6.000     4.500     0.000 peak   273 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.424 ppm2      0.861 CV     1
 ASSI {  274}
   (( segid "    " and resid 114  and name HA  ))
   (( segid "    " and resid 114  and name HG2 ))
      6.000     4.500     0.000 peak   274 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.411 ppm2      2.455 CV     1
 ASSI {  276}
   (( segid "    " and resid 93   and name HA  ))
   (  segid "    " and resid 93   and name HG2%)
      6.000     4.500     0.000 peak   276 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.416 ppm2      1.151 CV     1
 ASSI {  279}
   (( segid "    " and resid 44   and name HA  ))
   (( segid "    " and resid 44   and name HG1 ))
      6.000     4.500     0.000 peak   279 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.373 ppm2      1.941 CV     1
 ASSI {  280}
   (( segid "    " and resid 44   and name HA  ))
   (( segid "    " and resid 45   and name HB2 ))
      6.000     4.500     0.000 peak   280 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.376 ppm2      1.587 CV     1
 OR {  280}
   (( segid "    " and resid 44   and name HA  ))
   (( segid "    " and resid 45   and name HB1 ))
 ASSI {  291}
   (( segid "    " and resid 158  and name HA  ))
   (( segid "    " and resid 158  and name HB1 ))
      6.000     4.500     0.000 peak   291 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.866 ppm2      2.796 CV     1
 ASSI {  292}
   (( segid "    " and resid 158  and name HA  ))
   (( segid "    " and resid 41   and name HB2 ))
      6.000     4.500     0.000 peak   292 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.864 ppm2      1.675 CV     1
 OR {  292}
   (( segid "    " and resid 158  and name HA  ))
   (( segid "    " and resid 41   and name HB1 ))
 ASSI {  299}
   (( segid "    " and resid 38   and name HB2 ))
   (( segid "    " and resid 38   and name HA  ))
      6.000     4.500     0.000 peak   299 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.606 ppm2      4.278 CV     1
 ASSI {  300}
   (( segid "    " and resid 1    and name HA  ))
   (( segid "    " and resid 2    and name HB  ))
      6.000     4.500     0.000 peak   300 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.606 ppm2      1.740 CV     1
 ASSI {  301}
   (( segid "    " and resid 38   and name HB2 ))
   (( segid "    " and resid 157  and name HG1 ))
      6.000     4.500     0.000 peak   301 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.605 ppm2      1.184 CV     1
 ASSI {  302}
   (( segid "    " and resid 1    and name HA  ))
   (  segid "    " and resid 2    and name HG2%)
      6.000     4.500     0.000 peak   302 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.603 ppm2      0.755 CV     1
 ASSI {  303}
   (( segid "    " and resid 1    and name HA  ))
   (( segid "    " and resid 1    and name HG21))
      6.000     4.500     0.000 peak   303 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.605 ppm2      0.510 CV     1
 ASSI {  307}
   (( segid "    " and resid 105  and name HA  ))
   (  segid "    " and resid 105  and name HG2%)
      6.000     4.500     0.000 peak   307 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.661 ppm2      1.023 CV     1
 OR {  307}
   (( segid "    " and resid 105  and name HA  ))
   (  segid "    " and resid 105  and name HG1%)
 ASSI {  310}
   (( segid "    " and resid 83   and name HA  ))
   (( segid "    " and resid 83   and name HB  ))
      6.000     4.500     0.000 peak   310 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.304 ppm2      2.055 CV     1
 ASSI {  311}
   (( segid "    " and resid 83   and name HA  ))
   (  segid "    " and resid 83   and name HG2%)
      6.000     4.500     0.000 peak   311 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.305 ppm2      0.962 CV     1
 OR {  311}
   (( segid "    " and resid 83   and name HA  ))
   (  segid "    " and resid 83   and name HG1%)
 ASSI {  317}
   (( segid "    " and resid 158  and name HA  ))
   (( segid "    " and resid 158  and name HB2 ))
      6.000     4.500     0.000 peak   317 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.862 ppm2      3.118 CV     1
 ASSI {  318}
   (( segid "    " and resid 158  and name HA  ))
   (( segid "    " and resid 41   and name HG2 ))
      6.000     4.500     0.000 peak   318 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.858 ppm2      1.493 CV     1
 ASSI {  319}
   (( segid "    " and resid 38   and name HB1 ))
   (( segid "    " and resid 38   and name HN  ))
      6.000     4.500     0.000 peak   319 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.749 ppm2      9.441 CV     1
 ASSI {  320}
   (( segid "    " and resid 38   and name HB1 ))
   (( segid "    " and resid 38   and name HA  ))
      6.000     4.500     0.000 peak   320 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.756 ppm2      4.277 CV     1
 ASSI {  322}
   (( segid "    " and resid 38   and name HB1 ))
   (( segid "    " and resid 157  and name HE2 ))
      6.000     4.500     0.000 peak   322 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.740 ppm2      2.912 CV     1
 OR {  322}
   (( segid "    " and resid 38   and name HB1 ))
   (( segid "    " and resid 157  and name HE1 ))
 ASSI {  323}
   (( segid "    " and resid 38   and name HB2 ))
   (( segid "    " and resid 157  and name HG2 ))
      6.000     4.500     0.000 peak   323 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.609 ppm2      1.554 CV     1
 ASSI {  325}
   (( segid "    " and resid 38   and name HB2 ))
   (( segid "    " and resid 38   and name HB1 ))
      6.000     4.500     0.000 peak   325 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.596 ppm2      3.735 CV     1
 ASSI {  327}
   (( segid "    " and resid 131  and name HA  ))
   (( segid "    " and resid 131  and name HB  ))
      6.000     4.500     0.000 peak   327 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.481 ppm2      2.138 CV     1
 ASSI {  328}
   (( segid "    " and resid 131  and name HA  ))
   (  segid "    " and resid 59   and name HB% )
      6.000     4.500     0.000 peak   328 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.479 ppm2      1.231 CV     1
 ASSI {  330}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 74   and name HB2 ))
      6.000     4.500     0.000 peak   330 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.379 ppm2      2.195 CV     1
 OR {  330}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 74   and name HB1 ))
 ASSI {  332}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 28   and name HB  ))
      6.000     4.500     0.000 peak   332 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.752 ppm2      1.542 CV     1
 ASSI {  333}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 44   and name HD1 ))
      6.000     4.500     0.000 peak   333 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.103 ppm2      3.728 CV     1
 ASSI {  334}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 44   and name HD2 ))
      6.000     4.500     0.000 peak   334 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.090 ppm2      3.942 CV     1
 ASSI {  335}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 43   and name HB2 ))
      6.000     4.500     0.000 peak   335 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.096 ppm2      2.491 CV     1
 ASSI {  339}
   (( segid "    " and resid 35   and name HA  ))
   (  segid "    " and resid 35   and name HG2%)
      6.000     4.500     0.000 peak   339 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.594 ppm2      1.235 CV     1
 ASSI {  345}
   (( segid "    " and resid 136  and name HA  ))
   (  segid "    " and resid 136  and name HG1%)
      6.000     4.500     0.000 peak   345 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.497 ppm2      1.019 CV     1
 OR {  345}
   (( segid "    " and resid 136  and name HA  ))
   (  segid "    " and resid 136  and name HG2%)
 ASSI {  349}
   (( segid "    " and resid 72   and name HA  ))
   (  segid "    " and resid 73   and name HG2%)
      6.000     4.500     0.000 peak   349 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.409 ppm2      1.040 CV     1
 ASSI {  351}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 72   and name HN  ))
      6.000     4.500     0.000 peak   351 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.384 ppm2      7.710 CV     1
 ASSI {  352}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 72   and name HB2 ))
      6.000     4.500     0.000 peak   352 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.390 ppm2      3.421 CV     1
 ASSI {  353}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 72   and name HB1 ))
      6.000     4.500     0.000 peak   353 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.388 ppm2      2.939 CV     1
 ASSI {  354}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 75   and name HB2 ))
      6.000     4.500     0.000 peak   354 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.388 ppm2      2.274 CV     1
 ASSI {  355}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 75   and name HB1 ))
      6.000     4.500     0.000 peak   355 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.391 ppm2      1.896 CV     1
 ASSI {  359}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 29   and name HD1 ))
      6.000     4.500     0.000 peak   359 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.755 ppm2      2.735 CV     1
 ASSI {  360}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 28   and name HG12))
      6.000     4.500     0.000 peak   360 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.751 ppm2      2.034 CV     1
 OR {  360}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 28   and name HG11))
 ASSI {  362}
   (( segid "    " and resid 28   and name HA  ))
   (  segid "    " and resid 28   and name HG2%)
      6.000     4.500     0.000 peak   362 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.752 ppm2      0.599 CV     1
 ASSI {  363}
   (( segid "    " and resid 136  and name HA  ))
   (( segid "    " and resid 136  and name HB  ))
      6.000     4.500     0.000 peak   363 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.495 ppm2      1.931 CV     1
 ASSI {  364}
   (( segid "    " and resid 106  and name HA  ))
   (( segid "    " and resid 106  and name HB  ))
      6.000     4.500     0.000 peak   364 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.293 ppm2      1.409 CV     1
 ASSI {  365}
   (( segid "    " and resid 106  and name HA  ))
   (( segid "    " and resid 106  and name HG12))
      6.000     4.500     0.000 peak   365 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.296 ppm2      1.041 CV     1
 OR {  365}
   (( segid "    " and resid 106  and name HA  ))
   (( segid "    " and resid 106  and name HG11))
 ASSI {  366}
   (( segid "    " and resid 106  and name HA  ))
   (  segid "    " and resid 106  and name HG2%)
      6.000     4.500     0.000 peak   366 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.290 ppm2      0.913 CV     1
 ASSI {  369}
   (( segid "    " and resid 77   and name HA  ))
   (( segid "    " and resid 77   and name HG1 ))
      6.000     4.500     0.000 peak   369 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.685 ppm2      2.042 CV     1
 ASSI {  370}
   (( segid "    " and resid 77   and name HA  ))
   (( segid "    " and resid 77   and name HB1 ))
      6.000     4.500     0.000 peak   370 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.686 ppm2      1.860 CV     1
 ASSI {  371}
   (( segid "    " and resid 77   and name HA  ))
   (( segid "    " and resid 94   and name HB1 ))
      6.000     4.500     0.000 peak   371 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.687 ppm2      1.403 CV     1
 ASSI {  373}
   (( segid "    " and resid 77   and name HA  ))
   (  segid "    " and resid 94   and name HD2%)
      6.000     4.500     0.000 peak   373 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.684 ppm2      0.733 CV     1
 ASSI {  376}
   (( segid "    " and resid 77   and name HA  ))
   (( segid "    " and resid 77   and name HG2 ))
      6.000     4.500     0.000 peak   376 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.680 ppm2      2.837 CV     1
 ASSI {  377}
   (( segid "    " and resid 77   and name HA  ))
   (( segid "    " and resid 77   and name HB2 ))
      6.000     4.500     0.000 peak   377 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.680 ppm2      2.591 CV     1
 ASSI {  378}
   (( segid "    " and resid 77   and name HA  ))
   (( segid "    " and resid 94   and name HB2 ))
      6.000     4.500     0.000 peak   378 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.677 ppm2      1.720 CV     1
 ASSI {  380}
   (( segid "    " and resid 62   and name HA  ))
   (( segid "    " and resid 64   and name HG  ))
      6.000     4.500     0.000 peak   380 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.506 ppm2      0.722 CV     1
 OR {  380}
   (( segid "    " and resid 62   and name HA  ))
   (  segid "    " and resid 64   and name HD1%)
 ASSI {  381}
   (( segid "    " and resid 62   and name HA  ))
   (( segid "    " and resid 32   and name HN  ))
      6.000     4.500     0.000 peak   381 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.497 ppm2      8.972 CV     1
 ASSI {  384}
   (( segid "    " and resid 62   and name HA  ))
   (( segid "    " and resid 31   and name HA  ))
      6.000     4.500     0.000 peak   384 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.502 ppm2      5.909 CV     1
 ASSI {  386}
   (( segid "    " and resid 62   and name HA  ))
   (( segid "    " and resid 31   and name HB1 ))
      6.000     4.500     0.000 peak   386 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.499 ppm2      3.579 CV     1
 OR {  386}
   (( segid "    " and resid 62   and name HA  ))
   (( segid "    " and resid 31   and name HB2 ))
 ASSI {  388}
   (( segid "    " and resid 62   and name HA  ))
   (  segid "    " and resid 62   and name HG2%)
      6.000     4.500     0.000 peak   388 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.500 ppm2      1.075 CV     1
 ASSI {  390}
   (( segid "    " and resid 106  and name HA  ))
   (( segid "    " and resid 107  and name HB2 ))
      6.000     4.500     0.000 peak   390 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.298 ppm2      2.676 CV     1
 OR {  390}
   (( segid "    " and resid 106  and name HA  ))
   (( segid "    " and resid 107  and name HB1 ))
 ASSI {  391}
   (( segid "    " and resid 106  and name HA  ))
   (( segid "    " and resid 106  and name HN  ))
      6.000     4.500     0.000 peak   391 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.291 ppm2      9.411 CV     1
 ASSI {  393}
   (( segid "    " and resid 106  and name HA  ))
   (  segid "    " and resid 108  and name HG2%)
      6.000     4.500     0.000 peak   393 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.289 ppm2      1.180 CV     1
 ASSI {  394}
   (( segid "    " and resid 106  and name HA  ))
   (  segid "    " and resid 106  and name HD1%)
      6.000     4.500     0.000 peak   394 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.292 ppm2      0.618 CV     1
 ASSI {  398}
   (( segid "    " and resid 116  and name HA  ))
   (  segid "    " and resid 116  and name HD% )
      6.000     4.500     0.000 peak   398 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.167 ppm2      6.675 CV     1
 ASSI {  399}
   (( segid "    " and resid 116  and name HA  ))
   (( segid "    " and resid 116  and name HB2 ))
      6.000     4.500     0.000 peak   399 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.163 ppm2      3.061 CV     1
 ASSI {  400}
   (( segid "    " and resid 116  and name HA  ))
   (( segid "    " and resid 116  and name HB1 ))
      6.000     4.500     0.000 peak   400 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.165 ppm2      2.931 CV     1
 ASSI {  401}
   (( segid "    " and resid 116  and name HA  ))
   (  segid "    " and resid 112  and name HG2%)
      6.000     4.500     0.000 peak   401 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.165 ppm2      1.438 CV     1
 ASSI {  404}
   (( segid "    " and resid 129  and name HA  ))
   (( segid "    " and resid 129  and name HB2 ))
      6.000     4.500     0.000 peak   404 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.866 ppm2      3.160 CV     1
 ASSI {  405}
   (( segid "    " and resid 129  and name HA  ))
   (( segid "    " and resid 132  and name HN  ))
      6.000     4.500     0.000 peak   405 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.858 ppm2      8.313 CV     1
 ASSI {  406}
   (( segid "    " and resid 129  and name HA  ))
   (  segid "    " and resid 129  and name HD% )
      6.000     4.500     0.000 peak   406 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.862 ppm2      7.198 CV     1
 ASSI {  407}
   (( segid "    " and resid 129  and name HA  ))
   (( segid "    " and resid 129  and name HB1 ))
      6.000     4.500     0.000 peak   407 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.860 ppm2      2.897 CV     1
 ASSI {  408}
   (( segid "    " and resid 129  and name HA  ))
   (( segid "    " and resid 143  and name HG  ))
      6.000     4.500     0.000 peak   408 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.861 ppm2      0.954 CV     1
 ASSI {  411}
   (( segid "    " and resid 118  and name HA  ))
   (( segid "    " and resid 121  and name HD1 ))
      6.000     4.500     0.000 peak   411 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.828 ppm2      2.428 CV     1
 ASSI {  413}
   (( segid "    " and resid 118  and name HA  ))
   (( segid "    " and resid 118  and name HB2 ))
      6.000     4.500     0.000 peak   413 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.831 ppm2      1.958 CV     1
 ASSI {  421}
   (( segid "    " and resid 38   and name HA  ))
   (( segid "    " and resid 39   and name HB2 ))
      6.000     4.500     0.000 peak   421 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.283 ppm2      3.310 CV     1
 ASSI {  422}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 15   and name HG  ))
      6.000     4.500     0.000 peak   422 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.077 ppm2      0.944 CV     1
 ASSI {  423}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 18   and name HN  ))
      6.000     4.500     0.000 peak   423 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.065 ppm2      8.509 CV     1
 ASSI {  427}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 19   and name HD21))
      6.000     4.500     0.000 peak   427 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.064 ppm2      7.389 CV     1
 ASSI {  429}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 19   and name HB2 ))
      6.000     4.500     0.000 peak   429 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.067 ppm2      2.880 CV     1
 ASSI {  430}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 19   and name HB1 ))
      6.000     4.500     0.000 peak   430 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.065 ppm2      2.684 CV     1
 ASSI {  431}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 16   and name HG2 ))
      6.000     4.500     0.000 peak   431 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.063 ppm2      2.319 CV     1
 ASSI {  433}
   (( segid "    " and resid 129  and name HA  ))
   (  segid "    " and resid 147  and name HD1%)
      6.000     4.500     0.000 peak   433 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.877 ppm2     -0.472 CV     1
 ASSI {  439}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 75   and name HB2 ))
      6.000     4.500     0.000 peak   439 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.125 ppm2      2.285 CV     1
 ASSI {  442}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 78   and name HB2 ))
      6.000     4.500     0.000 peak   442 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.121 ppm2      1.858 CV     1
 ASSI {  443}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 75   and name HG2 ))
      6.000     4.500     0.000 peak   443 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.121 ppm2      1.667 CV     1
 ASSI {  446}
   (( segid "    " and resid 109  and name HA  ))
   (( segid "    " and resid 109  and name HG2 ))
      6.000     4.500     0.000 peak   446 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.022 ppm2      2.291 CV     1
 ASSI {  449}
   (( segid "    " and resid 109  and name HA  ))
   (( segid "    " and resid 109  and name HB2 ))
      6.000     4.500     0.000 peak   449 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.016 ppm2      2.019 CV     1
 OR {  449}
   (( segid "    " and resid 109  and name HA  ))
   (( segid "    " and resid 109  and name HB1 ))
 ASSI {  453}
   (( segid "    " and resid 67   and name HA  ))
   (( segid "    " and resid 67   and name HN  ))
      6.000     4.500     0.000 peak   453 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.633 ppm2      8.718 CV     1
 ASSI {  457}
   (( segid "    " and resid 67   and name HA  ))
   (( segid "    " and resid 67   and name HG2 ))
      6.000     4.500     0.000 peak   457 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.634 ppm2      2.137 CV     1
 ASSI {  458}
   (( segid "    " and resid 67   and name HA  ))
   (( segid "    " and resid 67   and name HB1 ))
      6.000     4.500     0.000 peak   458 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.634 ppm2      1.832 CV     1
 OR {  458}
   (( segid "    " and resid 67   and name HA  ))
   (( segid "    " and resid 67   and name HB2 ))
 ASSI {  461}
   (( segid "    " and resid 67   and name HA  ))
   (( segid "    " and resid 70   and name HB1 ))
      6.000     4.500     0.000 peak   461 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.633 ppm2      0.990 CV     1
 ASSI {  463}
   (( segid "    " and resid 67   and name HA  ))
   (  segid "    " and resid 70   and name HD2%)
      6.000     4.500     0.000 peak   463 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.632 ppm2      0.446 CV     1
 ASSI {  464}
   (( segid "    " and resid 67   and name HA  ))
   (  segid "    " and resid 111  and name HD2%)
      6.000     4.500     0.000 peak   464 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.634 ppm2      0.314 CV     1
 ASSI {  465}
   (( segid "    " and resid 67   and name HA  ))
   (( segid "    " and resid 110  and name HB1 ))
      6.000     4.500     0.000 peak   465 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.626 ppm2      1.602 CV     1
 ASSI {  468}
   (( segid "    " and resid 144  and name HA  ))
   (  segid "    " and resid 129  and name HD% )
      6.000     4.500     0.000 peak   468 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.516 ppm2      7.232 CV     1
 ASSI {  470}
   (( segid "    " and resid 144  and name HA  ))
   (( segid "    " and resid 144  and name HB1 ))
      6.000     4.500     0.000 peak   470 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.513 ppm2      1.791 CV     1
 ASSI {  471}
   (( segid "    " and resid 144  and name HA  ))
   (( segid "    " and resid 147  and name HB2 ))
      6.000     4.500     0.000 peak   471 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.517 ppm2      1.082 CV     1
 ASSI {  472}
   (( segid "    " and resid 144  and name HA  ))
   (  segid "    " and resid 147  and name HD1%)
      6.000     4.500     0.000 peak   472 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.511 ppm2     -0.481 CV     1
 ASSI {  478}
   (( segid "    " and resid 113  and name HA  ))
   (( segid "    " and resid 114  and name HB2 ))
      6.000     4.500     0.000 peak   478 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.307 ppm2      2.837 CV     1
 ASSI {  479}
   (( segid "    " and resid 113  and name HA  ))
   (  segid "    " and resid 113  and name HG2%)
      6.000     4.500     0.000 peak   479 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.309 ppm2      1.141 CV     1
 ASSI {  480}
   (( segid "    " and resid 113  and name HA  ))
   (( segid "    " and resid 113  and name HN  ))
      6.000     4.500     0.000 peak   480 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.304 ppm2      9.362 CV     1
 ASSI {  498}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 24   and name HN  ))
      6.000     4.500     0.000 peak   498 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.974 ppm2      7.892 CV     1
 ASSI {  499}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 23   and name HN  ))
      6.000     4.500     0.000 peak   499 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.972 ppm2      7.749 CV     1
 ASSI {  500}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 26   and name HN  ))
      6.000     4.500     0.000 peak   500 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.978 ppm2      7.580 CV     1
 ASSI {  501}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 23   and name HB2 ))
      6.000     4.500     0.000 peak   501 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.974 ppm2      1.944 CV     1
 OR {  501}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 23   and name HB1 ))
 ASSI {  502}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 23   and name HD2 ))
      6.000     4.500     0.000 peak   502 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.970 ppm2      1.677 CV     1
 OR {  502}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 23   and name HD1 ))
 ASSI {  503}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 23   and name HG1 ))
      6.000     4.500     0.000 peak   503 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.971 ppm2      1.521 CV     1
 ASSI {  509}
   (( segid "    " and resid 119  and name HA  ))
   (  segid "    " and resid 146  and name HG2%)
      6.000     4.500     0.000 peak   509 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.789 ppm2      0.736 CV     1
 ASSI {  511}
   (( segid "    " and resid 119  and name HA  ))
   (( segid "    " and resid 125  and name HG  ))
      6.000     4.500     0.000 peak   511 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.789 ppm2      0.322 CV     1
 ASSI {  512}
   (( segid "    " and resid 119  and name HA  ))
   (( segid "    " and resid 119  and name HB2 ))
      6.000     4.500     0.000 peak   512 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.776 ppm2      1.661 CV     1
 ASSI {  513}
   (( segid "    " and resid 119  and name HA  ))
   (( segid "    " and resid 119  and name HB1 ))
      6.000     4.500     0.000 peak   513 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.783 ppm2      1.460 CV     1
 ASSI {  514}
   (( segid "    " and resid 119  and name HA  ))
   (( segid "    " and resid 119  and name HG1 ))
      6.000     4.500     0.000 peak   514 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.781 ppm2      1.255 CV     1
 ASSI {  526}
   (( segid "    " and resid 115  and name HA  ))
   (( segid "    " and resid 115  and name HB1 ))
      6.000     4.500     0.000 peak   526 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.558 ppm2      2.979 CV     1
 ASSI {  527}
   (( segid "    " and resid 137  and name HA  ))
   (( segid "    " and resid 138  and name HG1 ))
      6.000     4.500     0.000 peak   527 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.298 ppm2      2.007 CV     1
 OR {  527}
   (( segid "    " and resid 137  and name HA  ))
   (( segid "    " and resid 138  and name HG2 ))
 ASSI {  528}
   (( segid "    " and resid 137  and name HA  ))
   (  segid "    " and resid 136  and name HG1%)
      6.000     4.500     0.000 peak   528 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.295 ppm2      1.039 CV     1
 OR {  528}
   (( segid "    " and resid 137  and name HA  ))
   (  segid "    " and resid 136  and name HG2%)
 ASSI {  536}
   (( segid "    " and resid 143  and name HA  ))
   (( segid "    " and resid 143  and name HN  ))
      6.000     4.500     0.000 peak   536 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.080 ppm2      8.432 CV     1
 ASSI {  538}
   (( segid "    " and resid 143  and name HA  ))
   (( segid "    " and resid 143  and name HB1 ))
      6.000     4.500     0.000 peak   538 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.082 ppm2      1.326 CV     1
 ASSI {  539}
   (( segid "    " and resid 143  and name HA  ))
   (( segid "    " and resid 143  and name HG  ))
      6.000     4.500     0.000 peak   539 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.082 ppm2      0.943 CV     1
 ASSI {  540}
   (( segid "    " and resid 143  and name HA  ))
   (  segid "    " and resid 146  and name HD1%)
      6.000     4.500     0.000 peak   540 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.081 ppm2      0.470 CV     1
 ASSI {  544}
   (( segid "    " and resid 130  and name HA  ))
   (( segid "    " and resid 130  and name HN  ))
      6.000     4.500     0.000 peak   544 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.876 ppm2      7.603 CV     1
 ASSI {  545}
   (( segid "    " and resid 130  and name HA  ))
   (( segid "    " and resid 130  and name HG2 ))
      6.000     4.500     0.000 peak   545 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.879 ppm2      2.553 CV     1
 ASSI {  546}
   (( segid "    " and resid 130  and name HA  ))
   (( segid "    " and resid 130  and name HG1 ))
      6.000     4.500     0.000 peak   546 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.880 ppm2      2.284 CV     1
 OR {  546}
   (( segid "    " and resid 130  and name HA  ))
   (( segid "    " and resid 130  and name HB1 ))
 ASSI {  548}
   (( segid "    " and resid 119  and name HA  ))
   (( segid "    " and resid 119  and name HE2 ))
      6.000     4.500     0.000 peak   548 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.771 ppm2      2.273 CV     1
 ASSI {  552}
   (( segid "    " and resid 40   and name HA  ))
   (  segid "    " and resid 40   and name HD% )
      6.000     4.500     0.000 peak   552 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.147 ppm2      7.132 CV     1
 ASSI {  553}
   (( segid "    " and resid 148  and name HA  ))
   (( segid "    " and resid 149  and name HN  ))
      6.000     4.500     0.000 peak   553 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.443 ppm2      8.285 CV     1
 ASSI {  556}
   (( segid "    " and resid 148  and name HA  ))
   (( segid "    " and resid 148  and name HB1 ))
      6.000     4.500     0.000 peak   556 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.442 ppm2      3.209 CV     1
 ASSI {  558}
   (( segid "    " and resid 137  and name HA  ))
   (  segid "    " and resid 135  and name HD2%)
      6.000     4.500     0.000 peak   558 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.294 ppm2      0.080 CV     1
 ASSI {  560}
   (( segid "    " and resid 137  and name HA  ))
   (( segid "    " and resid 137  and name HB1 ))
      6.000     4.500     0.000 peak   560 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.291 ppm2      3.243 CV     1
 ASSI {  562}
   (( segid "    " and resid 69   and name HA  ))
   (( segid "    " and resid 72   and name HB2 ))
      6.000     4.500     0.000 peak   562 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.170 ppm2      3.396 CV     1
 ASSI {  563}
   (( segid "    " and resid 69   and name HA  ))
   (( segid "    " and resid 69   and name HB1 ))
      6.000     4.500     0.000 peak   563 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.171 ppm2      1.298 CV     1
 ASSI {  564}
   (( segid "    " and resid 69   and name HA  ))
   (  segid "    " and resid 69   and name HD1%)
      6.000     4.500     0.000 peak   564 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.168 ppm2      0.933 CV     1
 ASSI {  565}
   (( segid "    " and resid 69   and name HA  ))
   (  segid "    " and resid 64   and name HD1%)
      6.000     4.500     0.000 peak   565 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.165 ppm2      0.711 CV     1
 ASSI {  566}
   (( segid "    " and resid 69   and name HA  ))
   (( segid "    " and resid 69   and name HN  ))
      6.000     4.500     0.000 peak   566 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.160 ppm2      8.158 CV     1
 ASSI {  576}
   (( segid "    " and resid 130  and name HA  ))
   (( segid "    " and resid 131  and name HN  ))
      6.000     4.500     0.000 peak   576 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.871 ppm2      6.909 CV     1
 ASSI {  579}
   (( segid "    " and resid 124  and name HA  ))
   (( segid "    " and resid 127  and name HG1 ))
      6.000     4.500     0.000 peak   579 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.407 ppm2      1.397 CV     1
 ASSI {  580}
   (( segid "    " and resid 124  and name HA  ))
   (( segid "    " and resid 124  and name HG2 ))
      6.000     4.500     0.000 peak   580 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.391 ppm2      2.127 CV     1
 OR {  580}
   (( segid "    " and resid 124  and name HA  ))
   (( segid "    " and resid 124  and name HB1 ))
 OR {  580}
   (( segid "    " and resid 124  and name HA  ))
   (( segid "    " and resid 124  and name HB2 ))
 OR {  580}
   (( segid "    " and resid 124  and name HA  ))
   (( segid "    " and resid 124  and name HG1 ))
 ASSI {  588}
   (( segid "    " and resid 79   and name HA  ))
   (( segid "    " and resid 79   and name HG1 ))
      6.000     4.500     0.000 peak   588 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.164 ppm2      2.463 CV     1
 ASSI {  589}
   (( segid "    " and resid 69   and name HA  ))
   (( segid "    " and resid 68   and name HB2 ))
      6.000     4.500     0.000 peak   589 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.165 ppm2      2.152 CV     1
 ASSI {  592}
   (( segid "    " and resid 79   and name HA  ))
   (( segid "    " and resid 79   and name HG2 ))
      6.000     4.500     0.000 peak   592 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.157 ppm2      2.612 CV     1
 ASSI {  593}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 22   and name HG  ))
      6.000     4.500     0.000 peak   593 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.959 ppm2      1.847 CV     1
 ASSI {  595}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 22   and name HN  ))
      6.000     4.500     0.000 peak   595 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.951 ppm2      8.557 CV     1
 ASSI {  596}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 22   and name HB2 ))
      6.000     4.500     0.000 peak   596 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.954 ppm2      2.100 CV     1
 ASSI {  597}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 22   and name HB1 ))
      6.000     4.500     0.000 peak   597 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.949 ppm2      1.450 CV     1
 ASSI {  598}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 25   and name HB1 ))
      6.000     4.500     0.000 peak   598 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.951 ppm2      1.227 CV     1
 ASSI {  599}
   (( segid "    " and resid 22   and name HA  ))
   (  segid "    " and resid 22   and name HD2%)
      6.000     4.500     0.000 peak   599 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.951 ppm2      1.091 CV     1
 ASSI {  600}
   (( segid "    " and resid 101  and name HA  ))
   (  segid "    " and resid 3    and name HB% )
      6.000     4.500     0.000 peak   600 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.533 ppm2      1.209 CV     1
 ASSI {  601}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 70   and name HN  ))
      6.000     4.500     0.000 peak   601 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.328 ppm2      7.837 CV     1
 ASSI {  602}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 71   and name HD22))
      6.000     4.500     0.000 peak   602 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.319 ppm2      7.429 CV     1
 ASSI {  604}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 71   and name HB2 ))
      6.000     4.500     0.000 peak   604 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.324 ppm2      3.056 CV     1
 ASSI {  605}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 71   and name HB1 ))
      6.000     4.500     0.000 peak   605 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.326 ppm2      2.582 CV     1
 ASSI {  606}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 71   and name HN  ))
      6.000     4.500     0.000 peak   606 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.315 ppm2      7.684 CV     1
 ASSI {  607}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 71   and name HD21))
      6.000     4.500     0.000 peak   607 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.318 ppm2      7.181 CV     1
 ASSI {  608}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 68   and name HG2 ))
      6.000     4.500     0.000 peak   608 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.318 ppm2      2.389 CV     1
 OR {  608}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 68   and name HG1 ))
 ASSI {  609}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 68   and name HB1 ))
      6.000     4.500     0.000 peak   609 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.310 ppm2      2.250 CV     1
 ASSI {  610}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 68   and name HB2 ))
      6.000     4.500     0.000 peak   610 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.316 ppm2      2.169 CV     1
 ASSI {  616}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 25   and name HN  ))
      6.000     4.500     0.000 peak   616 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.947 ppm2      8.991 CV     1
 ASSI {  619}
   (( segid "    " and resid 101  and name HA  ))
   (( segid "    " and resid 101  and name HB2 ))
      6.000     4.500     0.000 peak   619 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.530 ppm2      3.322 CV     1
 ASSI {  624}
   (( segid "    " and resid 123  and name HA  ))
   (( segid "    " and resid 123  and name HB1 ))
      6.000     4.500     0.000 peak   624 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.331 ppm2      2.912 CV     1
 ASSI {  625}
   (( segid "    " and resid 123  and name HA  ))
   (  segid "    " and resid 42   and name HG2%)
      6.000     4.500     0.000 peak   625 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.329 ppm2      1.233 CV     1
 ASSI {  626}
   (( segid "    " and resid 141  and name HA  ))
   (( segid "    " and resid 141  and name HG2 ))
      6.000     4.500     0.000 peak   626 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.284 ppm2      2.262 CV     1
 ASSI {  629}
   (( segid "    " and resid 78   and name HA  ))
   (  segid "    " and resid 78   and name HD2%)
      6.000     4.500     0.000 peak   629 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.057 ppm2      0.792 CV     1
 ASSI {  631}
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 28   and name HN  ))
      6.000     4.500     0.000 peak   631 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.868 ppm2      7.123 CV     1
 ASSI {  634}
   (( segid "    " and resid 135  and name HA  ))
   (( segid "    " and resid 134  and name HN  ))
      6.000     4.500     0.000 peak   634 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.831 ppm2      8.271 CV     1
 ASSI {  637}
   (( segid "    " and resid 135  and name HA  ))
   (( segid "    " and resid 135  and name HB2 ))
      6.000     4.500     0.000 peak   637 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.830 ppm2      1.742 CV     1
 ASSI {  638}
   (( segid "    " and resid 135  and name HA  ))
   (( segid "    " and resid 135  and name HG  ))
      6.000     4.500     0.000 peak   638 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.835 ppm2      1.209 CV     1
 ASSI {  640}
   (( segid "    " and resid 135  and name HA  ))
   (  segid "    " and resid 135  and name HD2%)
      6.000     4.500     0.000 peak   640 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.829 ppm2      0.082 CV     1
 ASSI {  644}
   (( segid "    " and resid 147  and name HA  ))
   (( segid "    " and resid 147  and name HB2 ))
      6.000     4.500     0.000 peak   644 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.672 ppm2      1.073 CV     1
 ASSI {  645}
   (( segid "    " and resid 147  and name HA  ))
   (( segid "    " and resid 147  and name HG  ))
      6.000     4.500     0.000 peak   645 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.673 ppm2      0.868 CV     1
 ASSI {  646}
   (( segid "    " and resid 147  and name HA  ))
   (( segid "    " and resid 147  and name HB1 ))
      6.000     4.500     0.000 peak   646 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.675 ppm2      0.695 CV     1
 ASSI {  647}
   (( segid "    " and resid 147  and name HA  ))
   (  segid "    " and resid 147  and name HD2%)
      6.000     4.500     0.000 peak   647 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.673 ppm2     -0.563 CV     1
 ASSI {  650}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 62   and name HB  ))
      6.000     4.500     0.000 peak   650 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.941 ppm2      3.811 CV     1
 ASSI {  652}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 28   and name HB  ))
      6.000     4.500     0.000 peak   652 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.940 ppm2      1.520 CV     1
 ASSI {  653}
   (( segid "    " and resid 31   and name HA  ))
   (  segid "    " and resid 62   and name HG2%)
      6.000     4.500     0.000 peak   653 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.942 ppm2      1.079 CV     1
 ASSI {  658}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 60   and name HG  ))
      6.000     4.500     0.000 peak   658 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.929 ppm2      1.268 CV     1
 ASSI {  664}
   (( segid "    " and resid 141  and name HA  ))
   (( segid "    " and resid 141  and name HB1 ))
      6.000     4.500     0.000 peak   664 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.281 ppm2      1.752 CV     1
 ASSI {  668}
   (( segid "    " and resid 141  and name HA  ))
   (( segid "    " and resid 142  and name HG2 ))
      6.000     4.500     0.000 peak   668 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.272 ppm2      2.800 CV     1
 ASSI {  669}
   (( segid "    " and resid 141  and name HA  ))
   (( segid "    " and resid 141  and name HG1 ))
      6.000     4.500     0.000 peak   669 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.273 ppm2      2.035 CV     1
 ASSI {  670}
   (( segid "    " and resid 141  and name HA  ))
   (( segid "    " and resid 141  and name HB2 ))
      6.000     4.500     0.000 peak   670 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.274 ppm2      1.848 CV     1
 ASSI {  672}
   (( segid "    " and resid 104  and name HA  ))
   (( segid "    " and resid 104  and name HB2 ))
      6.000     4.500     0.000 peak   672 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.246 ppm2      2.154 CV     1
 ASSI {  675}
   (( segid "    " and resid 110  and name HA  ))
   (( segid "    " and resid 111  and name HB1 ))
      6.000     4.500     0.000 peak   675 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.201 ppm2      0.914 CV     1
 ASSI {  680}
   (( segid "    " and resid 78   and name HA  ))
   (( segid "    " and resid 78   and name HB1 ))
      6.000     4.500     0.000 peak   680 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.062 ppm2      1.540 CV     1
 ASSI {  681}
   (( segid "    " and resid 78   and name HA  ))
   (( segid "    " and resid 78   and name HN  ))
      6.000     4.500     0.000 peak   681 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.055 ppm2      7.596 CV     1
 ASSI {  682}
   (( segid "    " and resid 78   and name HA  ))
   (( segid "    " and resid 78   and name HB2 ))
      6.000     4.500     0.000 peak   682 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.054 ppm2      1.849 CV     1
 ASSI {  687}
   (( segid "    " and resid 125  and name HA  ))
   (( segid "    " and resid 128  and name HB2 ))
      6.000     4.500     0.000 peak   687 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.817 ppm2      1.966 CV     1
 ASSI {  688}
   (( segid "    " and resid 128  and name HA  ))
   (( segid "    " and resid 131  and name HG11))
      6.000     4.500     0.000 peak   688 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.818 ppm2      1.480 CV     1
 ASSI {  689}
   (( segid "    " and resid 125  and name HA  ))
   (( segid "    " and resid 125  and name HB1 ))
      6.000     4.500     0.000 peak   689 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.815 ppm2      0.942 CV     1
 ASSI {  690}
   (( segid "    " and resid 125  and name HA  ))
   (  segid "    " and resid 128  and name HD2%)
      6.000     4.500     0.000 peak   690 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.816 ppm2      0.567 CV     1
 OR {  690}
   (( segid "    " and resid 125  and name HA  ))
   (  segid "    " and resid 128  and name HD1%)
 ASSI {  691}
   (( segid "    " and resid 125  and name HA  ))
   (  segid "    " and resid 125  and name HD1%)
      6.000     4.500     0.000 peak   691 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.817 ppm2      0.447 CV     1
 ASSI {  696}
   (( segid "    " and resid 147  and name HA  ))
   (  segid "    " and resid 125  and name HD1%)
      6.000     4.500     0.000 peak   696 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.665 ppm2      0.454 CV     1
 ASSI {  698}
   (( segid "    " and resid 4    and name HA  ))
   (  segid "    " and resid 4    and name HD% )
      6.000     4.500     0.000 peak   698 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.610 ppm2      6.821 CV     1
 ASSI {  701}
   (( segid "    " and resid 4    and name HA  ))
   (( segid "    " and resid 58   and name HN  ))
      6.000     4.500     0.000 peak   701 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.599 ppm2      9.137 CV     1
 ASSI {  703}
   (( segid "    " and resid 4    and name HA  ))
   (( segid "    " and resid 4    and name HB1 ))
      6.000     4.500     0.000 peak   703 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.603 ppm2      2.721 CV     1
 OR {  703}
   (( segid "    " and resid 4    and name HA  ))
   (( segid "    " and resid 4    and name HB2 ))
 ASSI {  704}
   (( segid "    " and resid 4    and name HA  ))
   (( segid "    " and resid 100  and name HB2 ))
      6.000     4.500     0.000 peak   704 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.603 ppm2      2.004 CV     1
 ASSI {  705}
   (( segid "    " and resid 4    and name HA  ))
   (( segid "    " and resid 5    and name HB  ))
      6.000     4.500     0.000 peak   705 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.602 ppm2      1.745 CV     1
 ASSI {  706}
   (( segid "    " and resid 4    and name HA  ))
   (( segid "    " and resid 5    and name HG12))
      6.000     4.500     0.000 peak   706 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.600 ppm2      1.545 CV     1
 ASSI {  713}
   (( segid "    " and resid 110  and name HA  ))
   (( segid "    " and resid 110  and name HB1 ))
      6.000     4.500     0.000 peak   713 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.217 ppm2      1.627 CV     1
 ASSI {  714}
   (( segid "    " and resid 110  and name HA  ))
   (( segid "    " and resid 110  and name HG2 ))
      6.000     4.500     0.000 peak   714 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.216 ppm2      1.484 CV     1
 ASSI {  715}
   (( segid "    " and resid 110  and name HA  ))
   (( segid "    " and resid 110  and name HB2 ))
      6.000     4.500     0.000 peak   715 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.219 ppm2      1.355 CV     1
 ASSI {  716}
   (( segid "    " and resid 110  and name HA  ))
   (  segid "    " and resid 70   and name HD2%)
      6.000     4.500     0.000 peak   716 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.218 ppm2      0.451 CV     1
 ASSI {  725}
   (( segid "    " and resid 125  and name HA  ))
   (( segid "    " and resid 128  and name HG  ))
      6.000     4.500     0.000 peak   725 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.806 ppm2      0.279 CV     1
 ASSI {  728}
   (( segid "    " and resid 19   and name HA  ))
   (( segid "    " and resid 19   and name HB2 ))
      6.000     4.500     0.000 peak   728 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.555 ppm2      2.870 CV     1
 ASSI {  729}
   (( segid "    " and resid 19   and name HA  ))
   (( segid "    " and resid 19   and name HB1 ))
      6.000     4.500     0.000 peak   729 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.564 ppm2      2.672 CV     1
 ASSI {  730}
   (( segid "    " and resid 19   and name HA  ))
   (( segid "    " and resid 22   and name HB2 ))
      6.000     4.500     0.000 peak   730 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.553 ppm2      2.077 CV     1
 ASSI {  736}
   (( segid "    " and resid 87   and name HA  ))
   (( segid "    " and resid 87   and name HG1 ))
      6.000     4.500     0.000 peak   736 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.067 ppm2      2.194 CV     1
 ASSI {  737}
   (( segid "    " and resid 87   and name HA  ))
   (( segid "    " and resid 87   and name HB2 ))
      6.000     4.500     0.000 peak   737 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.069 ppm2      2.011 CV     1
 ASSI {  739}
   (( segid "    " and resid 30   and name HA  ))
   (( segid "    " and resid 30   and name HG1 ))
      6.000     4.500     0.000 peak   739 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.905 ppm2      2.105 CV     1
 ASSI {  740}
   (( segid "    " and resid 30   and name HA  ))
   (( segid "    " and resid 30   and name HB1 ))
      6.000     4.500     0.000 peak   740 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.909 ppm2      2.019 CV     1
 ASSI {  753}
   (( segid "    " and resid 70   and name HA  ))
   (  segid "    " and resid 70   and name HD1%)
      6.000     4.500     0.000 peak   753 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.549 ppm2      0.688 CV     1
 ASSI {  755}
   (( segid "    " and resid 157  and name HA  ))
   (( segid "    " and resid 157  and name HB2 ))
      6.000     4.500     0.000 peak   755 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.466 ppm2      1.954 CV     1
 ASSI {  756}
   (( segid "    " and resid 157  and name HA  ))
   (( segid "    " and resid 157  and name HG1 ))
      6.000     4.500     0.000 peak   756 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.464 ppm2      1.177 CV     1
 ASSI {  758}
   (( segid "    " and resid 157  and name HA  ))
   (( segid "    " and resid 40   and name HA  ))
      6.000     4.500     0.000 peak   758 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.457 ppm2      5.156 CV     1
 ASSI {  759}
   (( segid "    " and resid 157  and name HA  ))
   (( segid "    " and resid 158  and name HB1 ))
      6.000     4.500     0.000 peak   759 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.456 ppm2      2.818 CV     1
 ASSI {  764}
   (( segid "    " and resid 70   and name HA  ))
   (( segid "    " and resid 70   and name HB2 ))
      6.000     4.500     0.000 peak   764 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.549 ppm2      1.839 CV     1
 ASSI {  768}
   (( segid "    " and resid 34   and name HA  ))
   (( segid "    " and resid 34   and name HB1 ))
      6.000     4.500     0.000 peak   768 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.491 ppm2      1.611 CV     1
 ASSI {  769}
   (( segid "    " and resid 34   and name HA  ))
   (( segid "    " and resid 34   and name HB2 ))
      6.000     4.500     0.000 peak   769 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.491 ppm2      1.550 CV     1
 ASSI {  773}
   (( segid "    " and resid 84   and name HA  ))
   (( segid "    " and resid 84   and name HG2 ))
      6.000     4.500     0.000 peak   773 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.322 ppm2      1.232 CV     1
 ASSI {  774}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 71   and name HD22))
      6.000     4.500     0.000 peak   774 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.301 ppm2      7.428 CV     1
 ASSI {  775}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 70   and name HB1 ))
      6.000     4.500     0.000 peak   775 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.300 ppm2      1.010 CV     1
 ASSI {  776}
   (( segid "    " and resid 84   and name HA  ))
   (  segid "    " and resid 83   and name HG1%)
      6.000     4.500     0.000 peak   776 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.296 ppm2      0.949 CV     1
 ASSI {  777}
   (( segid "    " and resid 71   and name HA  ))
   (  segid "    " and resid 70   and name HD1%)
      6.000     4.500     0.000 peak   777 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.297 ppm2      0.689 CV     1
 ASSI {  778}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 74   and name HN  ))
      6.000     4.500     0.000 peak   778 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.287 ppm2      8.881 CV     1
 ASSI {  779}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 71   and name HN  ))
      6.000     4.500     0.000 peak   779 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.287 ppm2      7.681 CV     1
 ASSI {  780}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 71   and name HD21))
      6.000     4.500     0.000 peak   780 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.288 ppm2      7.192 CV     1
 ASSI {  782}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 71   and name HB2 ))
      6.000     4.500     0.000 peak   782 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.285 ppm2      3.034 CV     1
 ASSI {  783}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 71   and name HB1 ))
      6.000     4.500     0.000 peak   783 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.287 ppm2      2.587 CV     1
 ASSI {  784}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 75   and name HB1 ))
      6.000     4.500     0.000 peak   784 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.283 ppm2      1.903 CV     1
 ASSI {  789}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 48   and name HG1 ))
      6.000     4.500     0.000 peak   789 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.235 ppm2      2.403 CV     1
 OR {  789}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 48   and name HG2 ))
 ASSI {  790}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 48   and name HB1 ))
      6.000     4.500     0.000 peak   790 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.233 ppm2      2.238 CV     1
 ASSI {  791}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 48   and name HB2 ))
      6.000     4.500     0.000 peak   791 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.235 ppm2      2.004 CV     1
 ASSI {  797}
   (( segid "    " and resid 84   and name HA  ))
   (( segid "    " and resid 84   and name HN  ))
      6.000     4.500     0.000 peak   797 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.324 ppm2      8.700 CV     1
 ASSI {  803}
   (( segid "    " and resid 80   and name HA  ))
   (( segid "    " and resid 80   and name HB2 ))
      6.000     4.500     0.000 peak   803 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.595 ppm2      2.293 CV     1
 OR {  803}
   (( segid "    " and resid 80   and name HA  ))
   (( segid "    " and resid 80   and name HB1 ))
 ASSI {  808}
   (( segid "    " and resid 150  and name HA  ))
   (( segid "    " and resid 151  and name HN  ))
      6.000     4.500     0.000 peak   808 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.022 ppm2      7.548 CV     1
 ASSI {  809}
   (( segid "    " and resid 150  and name HA  ))
   (( segid "    " and resid 150  and name HD2 ))
      6.000     4.500     0.000 peak   809 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.022 ppm2      3.096 CV     1
 ASSI {  810}
   (( segid "    " and resid 150  and name HA  ))
   (( segid "    " and resid 150  and name HD1 ))
      6.000     4.500     0.000 peak   810 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.025 ppm2      2.950 CV     1
 ASSI {  811}
   (( segid "    " and resid 150  and name HA  ))
   (( segid "    " and resid 150  and name HB2 ))
      6.000     4.500     0.000 peak   811 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.023 ppm2      1.257 CV     1
 ASSI {  812}
   (( segid "    " and resid 150  and name HA  ))
   (( segid "    " and resid 150  and name HB1 ))
      6.000     4.500     0.000 peak   812 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.023 ppm2      0.900 CV     1
 ASSI {  819}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 27   and name HB2 ))
      6.000     4.500     0.000 peak   819 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.182 ppm2      2.903 CV     1
 ASSI {  820}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 27   and name HB1 ))
      6.000     4.500     0.000 peak   820 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.177 ppm2      2.576 CV     1
 ASSI {  823}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 23   and name HD2 ))
      6.000     4.500     0.000 peak   823 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.181 ppm2      1.668 CV     1
 OR {  823}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 23   and name HD1 ))
 ASSI {  830}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 24   and name HN  ))
      6.000     4.500     0.000 peak   830 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.961 ppm2      7.890 CV     1
 ASSI {  831}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 23   and name HN  ))
      6.000     4.500     0.000 peak   831 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.960 ppm2      7.766 CV     1
 ASSI {  832}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 80   and name HB2 ))
      6.000     4.500     0.000 peak   832 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.959 ppm2      2.295 CV     1
 OR {  832}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 80   and name HB1 ))
 ASSI {  834}
   (( segid "    " and resid 21   and name HA  ))
   (  segid "    " and resid 21   and name HB% )
      6.000     4.500     0.000 peak   834 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.962 ppm2      1.462 CV     1
 ASSI {  835}
   (( segid "    " and resid 21   and name HA  ))
   (  segid "    " and resid 76   and name HG2%)
      6.000     4.500     0.000 peak   835 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.960 ppm2      0.855 CV     1
 ASSI {  836}
   (( segid "    " and resid 21   and name HA  ))
   (  segid "    " and resid 94   and name HD2%)
      6.000     4.500     0.000 peak   836 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.961 ppm2      0.740 CV     1
 OR {  836}
   (( segid "    " and resid 21   and name HA  ))
   (  segid "    " and resid 94   and name HD1%)
 ASSI {  841}
   (( segid "    " and resid 41   and name HA  ))
   (( segid "    " and resid 41   and name HB2 ))
      6.000     4.500     0.000 peak   841 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.756 ppm2      1.687 CV     1
 OR {  841}
   (( segid "    " and resid 41   and name HA  ))
   (( segid "    " and resid 41   and name HB1 ))
 ASSI {  842}
   (( segid "    " and resid 41   and name HA  ))
   (( segid "    " and resid 42   and name HN  ))
      6.000     4.500     0.000 peak   842 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.748 ppm2      9.591 CV     1
 ASSI {  847}
   (( segid "    " and resid 54   and name HA  ))
   (( segid "    " and resid 54   and name HB2 ))
      6.000     4.500     0.000 peak   847 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.365 ppm2      0.945 CV     1
 ASSI {  851}
   (( segid "    " and resid 54   and name HA  ))
   (( segid "    " and resid 54   and name HB1 ))
      6.000     4.500     0.000 peak   851 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.354 ppm2      0.601 CV     1
 ASSI {  852}
   (( segid "    " and resid 54   and name HA  ))
   (  segid "    " and resid 54   and name HD1%)
      6.000     4.500     0.000 peak   852 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.353 ppm2      0.174 CV     1
 ASSI {  853}
   (( segid "    " and resid 54   and name HA  ))
   (  segid "    " and resid 54   and name HD2%)
      6.000     4.500     0.000 peak   853 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.357 ppm2     -0.529 CV     1
 ASSI {  855}
   (( segid "    " and resid 61   and name HA  ))
   (( segid "    " and resid 62   and name HN  ))
      6.000     4.500     0.000 peak   855 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.707 ppm2      9.218 CV     1
 ASSI {  857}
   (( segid "    " and resid 153  and name HA  ))
   (( segid "    " and resid 153  and name HB2 ))
      6.000     4.500     0.000 peak   857 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.569 ppm2      2.739 CV     1
 ASSI {  858}
   (( segid "    " and resid 153  and name HA  ))
   (( segid "    " and resid 154  and name HB1 ))
      6.000     4.500     0.000 peak   858 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.572 ppm2      1.363 CV     1
 OR {  858}
   (( segid "    " and resid 153  and name HA  ))
   (( segid "    " and resid 154  and name HB2 ))
 ASSI {  859}
   (( segid "    " and resid 153  and name HA  ))
   (( segid "    " and resid 153  and name HB1 ))
      6.000     4.500     0.000 peak   859 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.565 ppm2      2.588 CV     1
 ASSI {  860}
   (( segid "    " and resid 52   and name HA  ))
   (( segid "    " and resid 53   and name HN  ))
      6.000     4.500     0.000 peak   860 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.544 ppm2      8.730 CV     1
 ASSI {  861}
   (( segid "    " and resid 52   and name HA  ))
   (( segid "    " and resid 52   and name HB1 ))
      6.000     4.500     0.000 peak   861 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.542 ppm2      2.450 CV     1
 ASSI {  864}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 45   and name HN  ))
      6.000     4.500     0.000 peak   864 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.426 ppm2      8.192 CV     1
 ASSI {  866}
   (( segid "    " and resid 45   and name HA  ))
   (  segid "    " and resid 45   and name HD2%)
      6.000     4.500     0.000 peak   866 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.431 ppm2      0.856 CV     1
 ASSI {  872}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 64   and name HG  ))
      6.000     4.500     0.000 peak   872 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.216 ppm2      0.742 CV     1
 ASSI {  880}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 11   and name HG  ))
      6.000     4.500     0.000 peak   880 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.227 ppm2      0.881 CV     1
 ASSI {  883}
   (( segid "    " and resid 134  and name HA  ))
   (( segid "    " and resid 134  and name HB2 ))
      6.000     4.500     0.000 peak   883 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.544 ppm2      2.301 CV     1
 OR {  883}
   (( segid "    " and resid 134  and name HA  ))
   (( segid "    " and resid 134  and name HG2 ))
 ASSI {  884}
   (( segid "    " and resid 134  and name HA  ))
   (( segid "    " and resid 134  and name HG1 ))
      6.000     4.500     0.000 peak   884 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.543 ppm2      2.106 CV     1
 ASSI {  885}
   (( segid "    " and resid 134  and name HA  ))
   (( segid "    " and resid 134  and name HB1 ))
      6.000     4.500     0.000 peak   885 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.541 ppm2      1.739 CV     1
 ASSI {  888}
   (( segid "    " and resid 49   and name HA  ))
   (( segid "    " and resid 49   and name HB1 ))
      6.000     4.500     0.000 peak   888 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.597 ppm2      2.631 CV     1
 ASSI {  889}
   (( segid "    " and resid 49   and name HA  ))
   (( segid "    " and resid 49   and name HB2 ))
      6.000     4.500     0.000 peak   889 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.597 ppm2      2.736 CV     1
 ASSI {  890}
   (( segid "    " and resid 155  and name HA  ))
   (( segid "    " and resid 41   and name HB1 ))
      6.000     4.500     0.000 peak   890 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.526 ppm2      1.670 CV     1
 OR {  890}
   (( segid "    " and resid 155  and name HA  ))
   (( segid "    " and resid 41   and name HB2 ))
 ASSI {  893}
   (( segid "    " and resid 139  and name HA  ))
   (( segid "    " and resid 140  and name HN  ))
      6.000     4.500     0.000 peak   893 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.492 ppm2      8.362 CV     1
 ASSI {  894}
   (( segid "    " and resid 139  and name HA  ))
   (( segid "    " and resid 139  and name HN  ))
      6.000     4.500     0.000 peak   894 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.496 ppm2      7.481 CV     1
 ASSI {  895}
   (( segid "    " and resid 139  and name HA  ))
   (( segid "    " and resid 139  and name HB2 ))
      6.000     4.500     0.000 peak   895 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.495 ppm2      3.020 CV     1
 ASSI {  896}
   (( segid "    " and resid 139  and name HA  ))
   (( segid "    " and resid 139  and name HB1 ))
      6.000     4.500     0.000 peak   896 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.492 ppm2      2.584 CV     1
 ASSI {  900}
   (( segid "    " and resid 121  and name HA  ))
   (( segid "    " and resid 121  and name HB2 ))
      6.000     4.500     0.000 peak   900 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.284 ppm2      0.957 CV     1
 ASSI {  902}
   (( segid "    " and resid 121  and name HA  ))
   (( segid "    " and resid 121  and name HB1 ))
      6.000     4.500     0.000 peak   902 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.274 ppm2     -0.386 CV     1
 ASSI {  907}
   (( segid "    " and resid 86   and name HA  ))
   (  segid "    " and resid 86   and name HB% )
      6.000     4.500     0.000 peak   907 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.026 ppm2      1.410 CV     1
 ASSI {  911}
   (( segid "    " and resid 111  and name HA  ))
   (  segid "    " and resid 111  and name HD1%)
      6.000     4.500     0.000 peak   911 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.893 ppm2      0.335 CV     1
 ASSI {  912}
   (( segid "    " and resid 111  and name HA  ))
   (( segid "    " and resid 111  and name HB2 ))
      6.000     4.500     0.000 peak   912 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.886 ppm2      1.320 CV     1
 ASSI {  913}
   (( segid "    " and resid 111  and name HA  ))
   (( segid "    " and resid 111  and name HB1 ))
      6.000     4.500     0.000 peak   913 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.887 ppm2      0.897 CV     1
 ASSI {  915}
   (( segid "    " and resid 39   and name HA  ))
   (( segid "    " and resid 39   and name HB1 ))
      6.000     4.500     0.000 peak   915 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.376 ppm2      2.810 CV     1
 ASSI {  916}
   (( segid "    " and resid 39   and name HA  ))
   (  segid "    " and resid 39   and name HD% )
      6.000     4.500     0.000 peak   916 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.372 ppm2      6.963 CV     1
 ASSI {  917}
   (( segid "    " and resid 39   and name HA  ))
   (( segid "    " and resid 39   and name HB2 ))
      6.000     4.500     0.000 peak   917 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.367 ppm2      3.317 CV     1
 ASSI {  918}
   (( segid "    " and resid 39   and name HA  ))
   (  segid "    " and resid 56   and name HB% )
      6.000     4.500     0.000 peak   918 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.368 ppm2      1.456 CV     1
 ASSI {  922}
   (( segid "    " and resid 155  and name HA  ))
   (( segid "    " and resid 155  and name HG  ))
      6.000     4.500     0.000 peak   922 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.512 ppm2      0.913 CV     1
 ASSI {  924}
   (( segid "    " and resid 121  and name HA  ))
   (( segid "    " and resid 121  and name HG1 ))
      6.000     4.500     0.000 peak   924 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.277 ppm2      1.076 CV     1
 ASSI {  928}
   (( segid "    " and resid 55   and name HA  ))
   (( segid "    " and resid 8    and name HA2 ))
      6.000     4.500     0.000 peak   928 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.131 ppm2      3.753 CV     1
 ASSI {  930}
   (( segid "    " and resid 55   and name HA  ))
   (( segid "    " and resid 55   and name HB1 ))
      6.000     4.500     0.000 peak   930 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.126 ppm2      3.156 CV     1
 ASSI {  931}
   (( segid "    " and resid 55   and name HA  ))
   (( segid "    " and resid 55   and name HB2 ))
      6.000     4.500     0.000 peak   931 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.125 ppm2      2.412 CV     1
 ASSI {  933}
   (( segid "    " and resid 55   and name HA  ))
   (  segid "    " and resid 7    and name HD1%)
      6.000     4.500     0.000 peak   933 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.128 ppm2      0.654 CV     1
 ASSI {  937}
   (( segid "    " and resid 107  and name HA  ))
   (( segid "    " and resid 106  and name HA  ))
      6.000     4.500     0.000 peak   937 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.506 ppm2      4.296 CV     1
 ASSI {  941}
   (( segid "    " and resid 107  and name HA  ))
   (( segid "    " and resid 112  and name HA  ))
      6.000     4.500     0.000 peak   941 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.498 ppm2      5.215 CV     1
 ASSI {  942}
   (( segid "    " and resid 107  and name HA  ))
   (( segid "    " and resid 107  and name HB1 ))
      6.000     4.500     0.000 peak   942 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.499 ppm2      2.698 CV     1
 ASSI {  943}
   (( segid "    " and resid 107  and name HA  ))
   (  segid "    " and resid 112  and name HG2%)
      6.000     4.500     0.000 peak   943 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.499 ppm2      1.433 CV     1
 ASSI {  944}
   (( segid "    " and resid 107  and name HA  ))
   (  segid "    " and resid 108  and name HG2%)
      6.000     4.500     0.000 peak   944 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.493 ppm2      1.197 CV     1
 ASSI {  946}
   (( segid "    " and resid 96   and name HA  ))
   (  segid "    " and resid 96   and name HD2%)
      6.000     4.500     0.000 peak   946 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.449 ppm2      0.933 CV     1
 OR {  946}
   (( segid "    " and resid 96   and name HA  ))
   (  segid "    " and resid 96   and name HD1%)
 ASSI {  947}
   (( segid "    " and resid 96   and name HA  ))
   (( segid "    " and resid 96   and name HB2 ))
      6.000     4.500     0.000 peak   947 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.436 ppm2      2.069 CV     1
 ASSI {  950}
   (( segid "    " and resid 97   and name HA  ))
   (( segid "    " and resid 97   and name HN  ))
      6.000     4.500     0.000 peak   950 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.531 ppm2      8.835 CV     1
 ASSI {  953}
   (( segid "    " and resid 97   and name HA  ))
   (( segid "    " and resid 97   and name HB1 ))
      6.000     4.500     0.000 peak   953 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.526 ppm2      2.340 CV     1
 ASSI {  954}
   (( segid "    " and resid 151  and name HA  ))
   (( segid "    " and resid 150  and name HN  ))
      6.000     4.500     0.000 peak   954 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.111 ppm2      7.840 CV     1
 ASSI {  957}
   (( segid "    " and resid 151  and name HA  ))
   (  segid "    " and resid 151  and name HB% )
      6.000     4.500     0.000 peak   957 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.095 ppm2      1.200 CV     1
 ASSI {  959}
   (( segid "    " and resid 97   and name HA  ))
   (( segid "    " and resid 97   and name HB2 ))
      6.000     4.500     0.000 peak   959 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.527 ppm2      2.520 CV     1
 ASSI {  960}
   (( segid "    " and resid 97   and name HA  ))
   (( segid "    " and resid 98   and name HB  ))
      6.000     4.500     0.000 peak   960 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.523 ppm2      2.072 CV     1
 ASSI {  961}
   (( segid "    " and resid 97   and name HA  ))
   (( segid "    " and resid 98   and name HG12))
      6.000     4.500     0.000 peak   961 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.525 ppm2      1.888 CV     1
 ASSI {  966}
   (( segid "    " and resid 103  and name HA  ))
   (( segid "    " and resid 138  and name HB2 ))
      6.000     4.500     0.000 peak   966 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.175 ppm2      2.410 CV     1
 ASSI {  967}
   (( segid "    " and resid 103  and name HA  ))
   (( segid "    " and resid 103  and name HB1 ))
      6.000     4.500     0.000 peak   967 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.164 ppm2      2.985 CV     1
 ASSI {  968}
   (( segid "    " and resid 103  and name HA  ))
   (( segid "    " and resid 103  and name HB2 ))
      6.000     4.500     0.000 peak   968 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.165 ppm2      2.652 CV     1
 ASSI {  969}
   (( segid "    " and resid 103  and name HA  ))
   (( segid "    " and resid 138  and name HG1 ))
      6.000     4.500     0.000 peak   969 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.161 ppm2      1.999 CV     1
 OR {  969}
   (( segid "    " and resid 103  and name HA  ))
   (( segid "    " and resid 138  and name HG2 ))
 ASSI {  970}
   (( segid "    " and resid 117  and name HA  ))
   (( segid "    " and resid 117  and name HB1 ))
      6.000     4.500     0.000 peak   970 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.033 ppm2      0.850 CV     1
 ASSI {  978}
   (( segid "    " and resid 57   and name HA  ))
   (  segid "    " and resid 6    and name HB% )
      6.000     4.500     0.000 peak   978 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.658 ppm2      1.749 CV     1
 ASSI {  979}
   (( segid "    " and resid 57   and name HA  ))
   (  segid "    " and resid 57   and name HB% )
      6.000     4.500     0.000 peak   979 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.656 ppm2      1.335 CV     1
 ASSI {  980}
   (( segid "    " and resid 57   and name HA  ))
   (  segid "    " and resid 58   and name HG2%)
      6.000     4.500     0.000 peak   980 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.659 ppm2      0.959 CV     1
 OR {  980}
   (( segid "    " and resid 57   and name HA  ))
   (  segid "    " and resid 58   and name HG1%)
 ASSI {  982}
   (( segid "    " and resid 6    and name HA  ))
   (  segid "    " and resid 6    and name HB% )
      6.000     4.500     0.000 peak   982 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.054 ppm2      1.749 CV     1
 ASSI {  985}
   (( segid "    " and resid 114  and name HD1 ))
   (( segid "    " and resid 114  and name HD2 ))
      6.000     4.500     0.000 peak   985 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.174 ppm2      3.667 CV     1
 ASSI {  987}
   (( segid "    " and resid 114  and name HD1 ))
   (  segid "    " and resid 105  and name HG2%)
      6.000     4.500     0.000 peak   987 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.175 ppm2      1.019 CV     1
 OR {  987}
   (( segid "    " and resid 114  and name HD1 ))
   (  segid "    " and resid 105  and name HG1%)
 ASSI {  988}
   (( segid "    " and resid 114  and name HD1 ))
   (( segid "    " and resid 114  and name HG2 ))
      6.000     4.500     0.000 peak   988 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.156 ppm2      2.429 CV     1
 ASSI {  989}
   (( segid "    " and resid 43   and name HD2 ))
   (( segid "    " and resid 42   and name HA  ))
      6.000     4.500     0.000 peak   989 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.832 ppm2      4.976 CV     1
 OR {  989}
   (( segid "    " and resid 43   and name HD1 ))
   (( segid "    " and resid 42   and name HA  ))
 ASSI {  991}
   (( segid "    " and resid 43   and name HD1 ))
   (( segid "    " and resid 43   and name HB2 ))
      6.000     4.500     0.000 peak   991 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.833 ppm2      2.480 CV     1
 OR {  991}
   (( segid "    " and resid 43   and name HD2 ))
   (( segid "    " and resid 43   and name HB2 ))
 ASSI {  992}
   (( segid "    " and resid 43   and name HD1 ))
   (( segid "    " and resid 43   and name HG1 ))
      6.000     4.500     0.000 peak   992 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.830 ppm2      2.075 CV     1
 OR {  992}
   (( segid "    " and resid 43   and name HD2 ))
   (( segid "    " and resid 43   and name HG1 ))
 ASSI {  993}
   (( segid "    " and resid 43   and name HD2 ))
   (  segid "    " and resid 42   and name HG2%)
      6.000     4.500     0.000 peak   993 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.829 ppm2      1.239 CV     1
 OR {  993}
   (( segid "    " and resid 43   and name HD1 ))
   (  segid "    " and resid 42   and name HG2%)
 ASSI {  996}
   (( segid "    " and resid 114  and name HD2 ))
   (( segid "    " and resid 114  and name HG2 ))
      6.000     4.500     0.000 peak   996 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.660 ppm2      2.440 CV     1
 ASSI {  997}
   (( segid "    " and resid 114  and name HD2 ))
   (  segid "    " and resid 105  and name HG2%)
      6.000     4.500     0.000 peak   997 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.662 ppm2      1.021 CV     1
 OR {  997}
   (( segid "    " and resid 114  and name HD2 ))
   (  segid "    " and resid 105  and name HG1%)
 ASSI {  999}
   (( segid "    " and resid 138  and name HD2 ))
   (( segid "    " and resid 137  and name HB1 ))
      6.000     4.500     0.000 peak   999 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.035 ppm2      3.269 CV     1
 OR {  999}
   (( segid "    " and resid 138  and name HD1 ))
   (( segid "    " and resid 137  and name HB1 ))
 ASSI { 1003}
   (( segid "    " and resid 138  and name HD1 ))
   (( segid "    " and resid 137  and name HA  ))
      6.000     4.500     0.000 peak  1003 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.003 ppm2      4.292 CV     1
 OR { 1003}
   (( segid "    " and resid 138  and name HD2 ))
   (( segid "    " and resid 137  and name HA  ))
 ASSI { 1004}
   (( segid "    " and resid 138  and name HD2 ))
   (( segid "    " and resid 137  and name HB2 ))
      6.000     4.500     0.000 peak  1004 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.005 ppm2      3.364 CV     1
 OR { 1004}
   (( segid "    " and resid 138  and name HD1 ))
   (( segid "    " and resid 137  and name HB2 ))
 ASSI { 1010}
   (( segid "    " and resid 29   and name HD2 ))
   (( segid "    " and resid 29   and name HD1 ))
      6.000     4.500     0.000 peak  1010 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.636 ppm2      2.733 CV     1
 ASSI { 1011}
   (( segid "    " and resid 29   and name HD2 ))
   (( segid "    " and resid 28   and name HB  ))
      6.000     4.500     0.000 peak  1011 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.634 ppm2      1.532 CV     1
 ASSI { 1012}
   (( segid "    " and resid 29   and name HD2 ))
   (  segid "    " and resid 28   and name HG2%)
      6.000     4.500     0.000 peak  1012 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.636 ppm2      0.595 CV     1
 ASSI { 1013}
   (( segid "    " and resid 29   and name HD2 ))
   (( segid "    " and resid 64   and name HG  ))
      6.000     4.500     0.000 peak  1013 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.628 ppm2      0.751 CV     1
 ASSI { 1017}
   (( segid "    " and resid 51   and name HD1 ))
   (( segid "    " and resid 51   and name HG1 ))
      6.000     4.500     0.000 peak  1017 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.535 ppm2      1.877 CV     1
 OR { 1017}
   (( segid "    " and resid 51   and name HD1 ))
   (( segid "    " and resid 51   and name HG2 ))
 ASSI { 1022}
   (( segid "    " and resid 29   and name HD1 ))
   (( segid "    " and resid 29   and name HG1 ))
      6.000     4.500     0.000 peak  1022 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.735 ppm2      2.003 CV     1
 OR { 1022}
   (( segid "    " and resid 29   and name HD1 ))
   (( segid "    " and resid 29   and name HG2 ))
 ASSI { 1024}
   (( segid "    " and resid 29   and name HD1 ))
   (  segid "    " and resid 28   and name HG2%)
      6.000     4.500     0.000 peak  1024 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.734 ppm2      0.598 CV     1
 ASSI { 1027}
   (( segid "    " and resid 65   and name HA  ))
   (( segid "    " and resid 66   and name HD1 ))
      6.000     4.500     0.000 peak  1027 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.595 ppm2      3.403 CV     1
 ASSI { 1028}
   (( segid "    " and resid 65   and name HA  ))
   (( segid "    " and resid 65   and name HN  ))
      6.000     4.500     0.000 peak  1028 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.586 ppm2      8.385 CV     1
 ASSI { 1029}
   (( segid "    " and resid 65   and name HA  ))
   (( segid "    " and resid 66   and name HD2 ))
      6.000     4.500     0.000 peak  1029 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.588 ppm2      3.598 CV     1
 ASSI { 1030}
   (( segid "    " and resid 65   and name HA  ))
   (  segid "    " and resid 65   and name HB% )
      6.000     4.500     0.000 peak  1030 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.587 ppm2      1.432 CV     1
 ASSI { 1031}
   (( segid "    " and resid 138  and name HD2 ))
   (( segid "    " and resid 114  and name HG2 ))
      6.000     4.500     0.000 peak  1031 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.038 ppm2      2.451 CV     1
 OR { 1031}
   (( segid "    " and resid 138  and name HD1 ))
   (( segid "    " and resid 114  and name HG2 ))
 ASSI { 1032}
   (( segid "    " and resid 14   and name HD1 ))
   (( segid "    " and resid 11   and name HN  ))
      6.000     4.500     0.000 peak  1032 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.015 ppm2      7.319 CV     1
 OR { 1032}
   (( segid "    " and resid 14   and name HD2 ))
   (( segid "    " and resid 11   and name HN  ))
 ASSI { 1034}
   (( segid "    " and resid 44   and name HD2 ))
   (( segid "    " and resid 43   and name HB2 ))
      6.000     4.500     0.000 peak  1034 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.956 ppm2      2.475 CV     1
 ASSI { 1037}
   (( segid "    " and resid 44   and name HD2 ))
   (( segid "    " and resid 43   and name HB1 ))
      6.000     4.500     0.000 peak  1037 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.948 ppm2      1.984 CV     1
 ASSI { 1039}
   (( segid "    " and resid 44   and name HD1 ))
   (( segid "    " and resid 43   and name HB2 ))
      6.000     4.500     0.000 peak  1039 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.733 ppm2      2.480 CV     1
 ASSI { 1050}
   (( segid "    " and resid 127  and name HD1 ))
   (( segid "    " and resid 127  and name HB2 ))
      6.000     4.500     0.000 peak  1050 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.156 ppm2      2.611 CV     1
 ASSI { 1060}
   (( segid "    " and resid 47   and name HD1 ))
   (( segid "    " and resid 46   and name HN  ))
      6.000     4.500     0.000 peak  1060 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.660 ppm2      8.297 CV     1
 ASSI { 1065}
   (( segid "    " and resid 127  and name HD1 ))
   (( segid "    " and resid 126  and name HN  ))
      6.000     4.500     0.000 peak  1065 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.168 ppm2      8.724 CV     1
 ASSI { 1068}
   (( segid "    " and resid 91   and name HD1 ))
   (( segid "    " and resid 91   and name HB2 ))
      6.000     4.500     0.000 peak  1068 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.580 ppm2      2.247 CV     1
 ASSI { 1071}
   (( segid "    " and resid 133  and name HD2 ))
   (( segid "    " and resid 133  and name HD1 ))
      6.000     4.500     0.000 peak  1071 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.422 ppm2      3.102 CV     1
 ASSI { 1072}
   (( segid "    " and resid 133  and name HD2 ))
   (  segid "    " and resid 132  and name HB% )
      6.000     4.500     0.000 peak  1072 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.404 ppm2      0.987 CV     1
 ASSI { 1075}
   (( segid "    " and resid 133  and name HD1 ))
   (( segid "    " and resid 133  and name HG1 ))
      6.000     4.500     0.000 peak  1075 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.102 ppm2      1.783 CV     1
 OR { 1075}
   (( segid "    " and resid 133  and name HD1 ))
   (( segid "    " and resid 133  and name HG2 ))
 ASSI { 1076}
   (( segid "    " and resid 133  and name HD1 ))
   (( segid "    " and resid 133  and name HB1 ))
      6.000     4.500     0.000 peak  1076 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.100 ppm2      1.596 CV     1
 ASSI { 1077}
   (( segid "    " and resid 133  and name HD1 ))
   (  segid "    " and resid 132  and name HB% )
      6.000     4.500     0.000 peak  1077 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.100 ppm2      0.990 CV     1
 ASSI { 1078}
   (( segid "    " and resid 66   and name HD2 ))
   (( segid "    " and resid 67   and name HN  ))
      6.000     4.500     0.000 peak  1078 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.607 ppm2      8.721 CV     1
 ASSI { 1079}
   (( segid "    " and resid 66   and name HD2 ))
   (  segid "    " and resid 65   and name HB% )
      6.000     4.500     0.000 peak  1079 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.604 ppm2      1.433 CV     1
 ASSI { 1080}
   (( segid "    " and resid 66   and name HD2 ))
   (( segid "    " and resid 66   and name HB2 ))
      6.000     4.500     0.000 peak  1080 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.603 ppm2      1.273 CV     1
 ASSI { 1081}
   (( segid "    " and resid 66   and name HD2 ))
   (( segid "    " and resid 66   and name HB1 ))
      6.000     4.500     0.000 peak  1081 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.610 ppm2      0.524 CV     1
 ASSI { 1083}
   (( segid "    " and resid 66   and name HD2 ))
   (( segid "    " and resid 66   and name HD1 ))
      6.000     4.500     0.000 peak  1083 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.601 ppm2      3.406 CV     1
 ASSI { 1084}
   (( segid "    " and resid 66   and name HD2 ))
   (( segid "    " and resid 66   and name HG1 ))
      6.000     4.500     0.000 peak  1084 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.598 ppm2      1.717 CV     1
 ASSI { 1085}
   (( segid "    " and resid 66   and name HD2 ))
   (( segid "    " and resid 66   and name HG2 ))
      6.000     4.500     0.000 peak  1085 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.600 ppm2      0.763 CV     1
 ASSI { 1089}
   (( segid "    " and resid 133  and name HD2 ))
   (( segid "    " and resid 133  and name HB1 ))
      6.000     4.500     0.000 peak  1089 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.409 ppm2      1.599 CV     1
 ASSI { 1090}
   (( segid "    " and resid 66   and name HD1 ))
   (( segid "    " and resid 66   and name HB2 ))
      6.000     4.500     0.000 peak  1090 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.409 ppm2      1.267 CV     1
 ASSI { 1091}
   (( segid "    " and resid 66   and name HD1 ))
   (  segid "    " and resid 106  and name HD1%)
      6.000     4.500     0.000 peak  1091 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.414 ppm2      0.600 CV     1
 ASSI { 1092}
   (( segid "    " and resid 66   and name HD1 ))
   (( segid "    " and resid 66   and name HB1 ))
      6.000     4.500     0.000 peak  1092 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.411 ppm2      0.532 CV     1
 ASSI { 1096}
   (( segid "    " and resid 66   and name HD1 ))
   (  segid "    " and resid 65   and name HB% )
      6.000     4.500     0.000 peak  1096 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.407 ppm2      1.436 CV     1
 ASSI { 1097}
   (( segid "    " and resid 66   and name HD1 ))
   (( segid "    " and resid 66   and name HG2 ))
      6.000     4.500     0.000 peak  1097 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.402 ppm2      0.770 CV     1
 ASSI { 1102}
   (( segid "    " and resid 133  and name HD1 ))
   (( segid "    " and resid 133  and name HB2 ))
      6.000     4.500     0.000 peak  1102 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.111 ppm2      1.488 CV     1
 ASSI { 1105}
   (( segid "    " and resid 100  and name HB2 ))
   (  segid "    " and resid 4    and name HD% )
      6.000     4.500     0.000 peak  1105 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.992 ppm2      6.816 CV     1
 ASSI { 1106}
   (( segid "    " and resid 100  and name HB2 ))
   (( segid "    " and resid 100  and name HG  ))
      6.000     4.500     0.000 peak  1106 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.997 ppm2      1.615 CV     1
 ASSI { 1107}
   (( segid "    " and resid 100  and name HB2 ))
   (  segid "    " and resid 100  and name HD1%)
      6.000     4.500     0.000 peak  1107 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.991 ppm2      1.050 CV     1
 ASSI { 1108}
   (( segid "    " and resid 100  and name HB2 ))
   (  segid "    " and resid 100  and name HD2%)
      6.000     4.500     0.000 peak  1108 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.991 ppm2      0.657 CV     1
 ASSI { 1110}
   (( segid "    " and resid 100  and name HB1 ))
   (  segid "    " and resid 100  and name HD2%)
      6.000     4.500     0.000 peak  1110 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.794 ppm2      0.656 CV     1
 ASSI { 1114}
   (( segid "    " and resid 122  and name HA2 ))
   (  segid "    " and resid 152  and name HD% )
      6.000     4.500     0.000 peak  1114 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.073 ppm2      7.071 CV     1
 ASSI { 1115}
   (( segid "    " and resid 122  and name HA2 ))
   (( segid "    " and resid 126  and name HD1 ))
      6.000     4.500     0.000 peak  1115 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.075 ppm2      6.779 CV     1
 ASSI { 1116}
   (( segid "    " and resid 122  and name HA2 ))
   (( segid "    " and resid 122  and name HA1 ))
      6.000     4.500     0.000 peak  1116 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.075 ppm2      2.802 CV     1
 ASSI { 1122}
   (( segid "    " and resid 122  and name HA1 ))
   (( segid "    " and resid 126  and name HD1 ))
      6.000     4.500     0.000 peak  1122 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.810 ppm2      6.784 CV     1
 ASSI { 1123}
   (( segid "    " and resid 122  and name HA1 ))
   (( segid "    " and resid 125  and name HG  ))
      6.000     4.500     0.000 peak  1123 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.818 ppm2      0.328 CV     1
 ASSI { 1126}
   (( segid "    " and resid 122  and name HA1 ))
   (( segid "    " and resid 125  and name HB1 ))
      6.000     4.500     0.000 peak  1126 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.806 ppm2      0.936 CV     1
 ASSI { 1127}
   (( segid "    " and resid 122  and name HA1 ))
   (  segid "    " and resid 147  and name HD2%)
      6.000     4.500     0.000 peak  1127 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.803 ppm2     -0.564 CV     1
 ASSI { 1130}
   (( segid "    " and resid 60   and name HB2 ))
   (( segid "    " and resid 60   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      9.316 CV     1
 ASSI { 1131}
   (( segid "    " and resid 60   and name HB2 ))
   (( segid "    " and resid 60   and name HB1 ))
      6.000     4.500     0.000 peak  1131 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.809 ppm2      0.995 CV     1
 ASSI { 1132}
   (( segid "    " and resid 60   and name HB2 ))
   (  segid "    " and resid 60   and name HD1%)
      6.000     4.500     0.000 peak  1132 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.807 ppm2      0.712 CV     1
 ASSI { 1133}
   (( segid "    " and resid 60   and name HB2 ))
   (( segid "    " and resid 25   and name HB1 ))
      6.000     4.500     0.000 peak  1133 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.805 ppm2      1.243 CV     1
 ASSI { 1134}
   (( segid "    " and resid 60   and name HB1 ))
   (( segid "    " and resid 60   and name HN  ))
      6.000     4.500     0.000 peak  1134 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.003 ppm2      9.319 CV     1
 ASSI { 1142}
   (( segid "    " and resid 81   and name HA1 ))
   (( segid "    " and resid 94   and name HB2 ))
      6.000     4.500     0.000 peak  1142 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.144 ppm2      1.694 CV     1
 OR { 1142}
   (( segid "    " and resid 81   and name HA2 ))
   (( segid "    " and resid 94   and name HB2 ))
 ASSI { 1143}
   (( segid "    " and resid 81   and name HA1 ))
   (  segid "    " and resid 94   and name HD2%)
      6.000     4.500     0.000 peak  1143 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.143 ppm2      0.739 CV     1
 OR { 1143}
   (( segid "    " and resid 81   and name HA2 ))
   (  segid "    " and resid 94   and name HD2%)
 OR { 1143}
   (( segid "    " and resid 81   and name HA1 ))
   (  segid "    " and resid 94   and name HD1%)
 ASSI { 1144}
   (( segid "    " and resid 81   and name HA1 ))
   (( segid "    " and resid 94   and name HB1 ))
      6.000     4.500     0.000 peak  1144 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.124 ppm2      1.397 CV     1
 OR { 1144}
   (( segid "    " and resid 81   and name HA2 ))
   (( segid "    " and resid 94   and name HB1 ))
 ASSI { 1146}
   (( segid "    " and resid 94   and name HB2 ))
   (  segid "    " and resid 94   and name HD1%)
      6.000     4.500     0.000 peak  1146 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.706 ppm2      0.744 CV     1
 OR { 1146}
   (( segid "    " and resid 94   and name HB2 ))
   (  segid "    " and resid 94   and name HD2%)
 ASSI { 1148}
   (( segid "    " and resid 94   and name HB1 ))
   (( segid "    " and resid 94   and name HG  ))
      6.000     4.500     0.000 peak  1148 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.392 ppm2      0.760 CV     1
 ASSI { 1150}
   (( segid "    " and resid 94   and name HB1 ))
   (( segid "    " and resid 94   and name HB2 ))
      6.000     4.500     0.000 peak  1150 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.395 ppm2      1.698 CV     1
 ASSI { 1152}
   (( segid "    " and resid 111  and name HB2 ))
   (  segid "    " and resid 111  and name HD2%)
      6.000     4.500     0.000 peak  1152 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.298 ppm2      0.317 CV     1
 ASSI { 1155}
   (( segid "    " and resid 26   and name HA2 ))
   (( segid "    " and resid 33   and name HN  ))
      6.000     4.500     0.000 peak  1155 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.905 ppm2      9.151 CV     1
 ASSI { 1156}
   (( segid "    " and resid 26   and name HA2 ))
   (( segid "    " and resid 26   and name HN  ))
      6.000     4.500     0.000 peak  1156 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.909 ppm2      7.572 CV     1
 ASSI { 1157}
   (( segid "    " and resid 26   and name HA2 ))
   (  segid "    " and resid 33   and name HD1%)
      6.000     4.500     0.000 peak  1157 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.910 ppm2      0.858 CV     1
 ASSI { 1158}
   (( segid "    " and resid 26   and name HA1 ))
   (( segid "    " and resid 27   and name HN  ))
      6.000     4.500     0.000 peak  1158 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.894 ppm2      7.320 CV     1
 ASSI { 1159}
   (( segid "    " and resid 26   and name HA1 ))
   (( segid "    " and resid 33   and name HG11))
      6.000     4.500     0.000 peak  1159 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.895 ppm2      1.559 CV     1
 OR { 1159}
   (( segid "    " and resid 26   and name HA1 ))
   (( segid "    " and resid 33   and name HG12))
 ASSI { 1166}
   (( segid "    " and resid 111  and name HB2 ))
   (( segid "    " and resid 111  and name HB1 ))
      6.000     4.500     0.000 peak  1166 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.294 ppm2      0.891 CV     1
 ASSI { 1167}
   (( segid "    " and resid 111  and name HB1 ))
   (( segid "    " and resid 111  and name HN  ))
      6.000     4.500     0.000 peak  1167 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.894 ppm2      7.595 CV     1
 ASSI { 1170}
   (( segid "    " and resid 111  and name HB1 ))
   (  segid "    " and resid 111  and name HD2%)
      6.000     4.500     0.000 peak  1170 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.888 ppm2      0.314 CV     1
 ASSI { 1172}
   (( segid "    " and resid 140  and name HA2 ))
   (( segid "    " and resid 141  and name HN  ))
      6.000     4.500     0.000 peak  1172 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.398 ppm2      7.990 CV     1
 ASSI { 1174}
   (( segid "    " and resid 140  and name HA2 ))
   (( segid "    " and resid 140  and name HA1 ))
      6.000     4.500     0.000 peak  1174 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.392 ppm2      3.511 CV     1
 ASSI { 1175}
   (( segid "    " and resid 140  and name HA2 ))
   (  segid "    " and resid 136  and name HG1%)
      6.000     4.500     0.000 peak  1175 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.391 ppm2      1.016 CV     1
 ASSI { 1181}
   (( segid "    " and resid 140  and name HA1 ))
   (  segid "    " and resid 136  and name HG1%)
      6.000     4.500     0.000 peak  1181 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.508 ppm2      1.018 CV     1
 ASSI { 1185}
   (( segid "    " and resid 55   and name HB1 ))
   (( segid "    " and resid 55   and name HB2 ))
      6.000     4.500     0.000 peak  1185 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.153 ppm2      2.404 CV     1
 ASSI { 1186}
   (( segid "    " and resid 55   and name HB2 ))
   (  segid "    " and resid 40   and name HD% )
      6.000     4.500     0.000 peak  1186 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.411 ppm2      7.123 CV     1
 ASSI { 1193}
   (( segid "    " and resid 8    and name HA1 ))
   (( segid "    " and resid 55   and name HA  ))
      6.000     4.500     0.000 peak  1193 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.742 ppm2      6.128 CV     1
 ASSI { 1194}
   (( segid "    " and resid 8    and name HA1 ))
   (( segid "    " and resid 8    and name HA2 ))
      6.000     4.500     0.000 peak  1194 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.743 ppm2      3.754 CV     1
 ASSI { 1213}
   (( segid "    " and resid 121  and name HD1 ))
   (( segid "    " and resid 121  and name HB2 ))
      6.000     4.500     0.000 peak  1213 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.436 ppm2      0.955 CV     1
 ASSI { 1214}
   (( segid "    " and resid 121  and name HD1 ))
   (( segid "    " and resid 121  and name HG2 ))
      6.000     4.500     0.000 peak  1214 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.427 ppm2      1.390 CV     1
 ASSI { 1216}
   (( segid "    " and resid 46   and name HA2 ))
   (( segid "    " and resid 47   and name HD1 ))
      6.000     4.500     0.000 peak  1216 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.256 ppm2      3.671 CV     1
 OR { 1216}
   (( segid "    " and resid 46   and name HA2 ))
   (( segid "    " and resid 47   and name HD2 ))
 ASSI { 1217}
   (( segid "    " and resid 46   and name HA2 ))
   (( segid "    " and resid 47   and name HG1 ))
      6.000     4.500     0.000 peak  1217 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.265 ppm2      2.028 CV     1
 OR { 1217}
   (( segid "    " and resid 46   and name HA2 ))
   (( segid "    " and resid 47   and name HG2 ))
 ASSI { 1218}
   (( segid "    " and resid 46   and name HA2 ))
   (( segid "    " and resid 46   and name HA1 ))
      6.000     4.500     0.000 peak  1218 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.249 ppm2      3.870 CV     1
 ASSI { 1220}
   (( segid "    " and resid 46   and name HA1 ))
   (( segid "    " and resid 47   and name HD1 ))
      6.000     4.500     0.000 peak  1220 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.866 ppm2      3.663 CV     1
 OR { 1220}
   (( segid "    " and resid 46   and name HA1 ))
   (( segid "    " and resid 47   and name HD2 ))
 ASSI { 1221}
   (( segid "    " and resid 46   and name HA1 ))
   (( segid "    " and resid 47   and name HG1 ))
      6.000     4.500     0.000 peak  1221 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.866 ppm2      2.015 CV     1
 OR { 1221}
   (( segid "    " and resid 46   and name HA1 ))
   (( segid "    " and resid 47   and name HG2 ))
 ASSI { 1222}
   (( segid "    " and resid 11   and name HB1 ))
   (( segid "    " and resid 11   and name HG  ))
      6.000     4.500     0.000 peak  1222 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.268 ppm2      0.882 CV     1
 OR { 1222}
   (( segid "    " and resid 11   and name HB2 ))
   (( segid "    " and resid 11   and name HG  ))
 ASSI { 1229}
   (( segid "    " and resid 117  and name HB2 ))
   (( segid "    " and resid 120  and name HD22))
      6.000     4.500     0.000 peak  1229 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.602 ppm2      6.880 CV     1
 ASSI { 1231}
   (( segid "    " and resid 117  and name HB2 ))
   (( segid "    " and resid 117  and name HB1 ))
      6.000     4.500     0.000 peak  1231 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.590 ppm2      0.856 CV     1
 ASSI { 1237}
   (( segid "    " and resid 54   and name HB2 ))
   (  segid "    " and resid 54   and name HD2%)
      6.000     4.500     0.000 peak  1237 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.937 ppm2     -0.519 CV     1
 ASSI { 1238}
   (( segid "    " and resid 54   and name HB2 ))
   (( segid "    " and resid 54   and name HB1 ))
      6.000     4.500     0.000 peak  1238 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.931 ppm2      0.630 CV     1
 ASSI { 1239}
   (( segid "    " and resid 54   and name HB2 ))
   (  segid "    " and resid 54   and name HD1%)
      6.000     4.500     0.000 peak  1239 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.918 ppm2      0.184 CV     1
 ASSI { 1257}
   (( segid "    " and resid 75   and name HD1 ))
   (( segid "    " and resid 72   and name HD2 ))
      6.000     4.500     0.000 peak  1257 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.158 ppm2      7.184 CV     1
 ASSI { 1274}
   (( segid "    " and resid 144  and name HD1 ))
   (( segid "    " and resid 144  and name HB2 ))
      6.000     4.500     0.000 peak  1274 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.259 ppm2      2.119 CV     1
 OR { 1274}
   (( segid "    " and resid 144  and name HD2 ))
   (( segid "    " and resid 144  and name HB2 ))
 ASSI { 1275}
   (( segid "    " and resid 144  and name HD2 ))
   (( segid "    " and resid 144  and name HG2 ))
      6.000     4.500     0.000 peak  1275 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.258 ppm2      1.591 CV     1
 OR { 1275}
   (( segid "    " and resid 144  and name HD1 ))
   (( segid "    " and resid 144  and name HG2 ))
 ASSI { 1279}
   (( segid "    " and resid 75   and name HD1 ))
   (( segid "    " and resid 75   and name HA  ))
      6.000     4.500     0.000 peak  1279 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.177 ppm2      4.138 CV     1
 ASSI { 1285}
   (( segid "    " and resid 75   and name HD1 ))
   (( segid "    " and resid 75   and name HG2 ))
      6.000     4.500     0.000 peak  1285 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.158 ppm2      1.625 CV     1
 ASSI { 1293}
   (( segid "    " and resid 155  and name HB2 ))
   (( segid "    " and resid 155  and name HN  ))
      6.000     4.500     0.000 peak  1293 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.705 ppm2      7.421 CV     1
 ASSI { 1294}
   (( segid "    " and resid 155  and name HB2 ))
   (  segid "    " and resid 40   and name HD% )
      6.000     4.500     0.000 peak  1294 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.702 ppm2      7.134 CV     1
 ASSI { 1295}
   (( segid "    " and resid 34   and name HB1 ))
   (( segid "    " and resid 34   and name HN  ))
      6.000     4.500     0.000 peak  1295 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.647 ppm2      9.154 CV     1
 ASSI { 1298}
   (( segid "    " and resid 34   and name HB2 ))
   (  segid "    " and resid 59   and name HB% )
      6.000     4.500     0.000 peak  1298 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.521 ppm2      1.243 CV     1
 ASSI { 1299}
   (( segid "    " and resid 34   and name HB2 ))
   (( segid "    " and resid 34   and name HG  ))
      6.000     4.500     0.000 peak  1299 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.522 ppm2      0.807 CV     1
 ASSI { 1308}
   (( segid "    " and resid 41   and name HD1 ))
   (( segid "    " and resid 41   and name HG1 ))
      6.000     4.500     0.000 peak  1308 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.185 ppm2      1.143 CV     1
 ASSI { 1310}
   (( segid "    " and resid 75   and name HD1 ))
   (( segid "    " and resid 75   and name HB2 ))
      6.000     4.500     0.000 peak  1310 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.169 ppm2      2.262 CV     1
 ASSI { 1311}
   (( segid "    " and resid 41   and name HD2 ))
   (( segid "    " and resid 41   and name HG2 ))
      6.000     4.500     0.000 peak  1311 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.758 ppm2      1.502 CV     1
 ASSI { 1313}
   (( segid "    " and resid 41   and name HD2 ))
   (( segid "    " and resid 41   and name HD1 ))
      6.000     4.500     0.000 peak  1313 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.746 ppm2      3.179 CV     1
 ASSI { 1314}
   (( segid "    " and resid 41   and name HD2 ))
   (( segid "    " and resid 41   and name HG1 ))
      6.000     4.500     0.000 peak  1314 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.737 ppm2      1.124 CV     1
 ASSI { 1315}
   (( segid "    " and resid 96   and name HB2 ))
   (( segid "    " and resid 96   and name HB1 ))
      6.000     4.500     0.000 peak  1315 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.062 ppm2      0.981 CV     1
 ASSI { 1316}
   (( segid "    " and resid 34   and name HB1 ))
   (( segid "    " and resid 34   and name HG  ))
      6.000     4.500     0.000 peak  1316 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.637 ppm2      0.810 CV     1
 ASSI { 1318}
   (( segid "    " and resid 64   and name HB1 ))
   (( segid "    " and resid 64   and name HA  ))
      6.000     4.500     0.000 peak  1318 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.489 ppm2      4.216 CV     1
 ASSI { 1321}
   (( segid "    " and resid 64   and name HB1 ))
   (( segid "    " and resid 68   and name HB2 ))
      6.000     4.500     0.000 peak  1321 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.473 ppm2      2.180 CV     1
 ASSI { 1323}
   (( segid "    " and resid 125  and name HB2 ))
   (( segid "    " and resid 125  and name HG  ))
      6.000     4.500     0.000 peak  1323 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.066 ppm2      0.327 CV     1
 ASSI { 1325}
   (( segid "    " and resid 125  and name HB2 ))
   (  segid "    " and resid 125  and name HD1%)
      6.000     4.500     0.000 peak  1325 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.058 ppm2      0.449 CV     1
 ASSI { 1327}
   (( segid "    " and resid 125  and name HB2 ))
   (  segid "    " and resid 147  and name HD2%)
      6.000     4.500     0.000 peak  1327 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.046 ppm2     -0.559 CV     1
 ASSI { 1328}
   (( segid "    " and resid 96   and name HB1 ))
   (( segid "    " and resid 96   and name HA  ))
      6.000     4.500     0.000 peak  1328 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.969 ppm2      5.438 CV     1
 ASSI { 1330}
   (( segid "    " and resid 96   and name HB1 ))
   (( segid "    " and resid 96   and name HG  ))
      6.000     4.500     0.000 peak  1330 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.961 ppm2      1.635 CV     1
 ASSI { 1335}
   (( segid "    " and resid 125  and name HB1 ))
   (( segid "    " and resid 125  and name HG  ))
      6.000     4.500     0.000 peak  1335 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.925 ppm2      0.319 CV     1
 ASSI { 1337}
   (( segid "    " and resid 41   and name HD2 ))
   (( segid "    " and resid 41   and name HB1 ))
      6.000     4.500     0.000 peak  1337 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.753 ppm2      1.691 CV     1
 OR { 1337}
   (( segid "    " and resid 41   and name HD2 ))
   (( segid "    " and resid 41   and name HB2 ))
 ASSI { 1339}
   (( segid "    " and resid 25   and name HB2 ))
   (  segid "    " and resid 7    and name HD1%)
      6.000     4.500     0.000 peak  1339 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.125 ppm2      0.689 CV     1
 ASSI { 1340}
   (( segid "    " and resid 64   and name HB2 ))
   (( segid "    " and resid 64   and name HA  ))
      6.000     4.500     0.000 peak  1340 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.747 ppm2      4.206 CV     1
 ASSI { 1342}
   (( segid "    " and resid 64   and name HB2 ))
   (( segid "    " and resid 64   and name HG  ))
      6.000     4.500     0.000 peak  1342 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.732 ppm2      0.727 CV     1
 OR { 1342}
   (( segid "    " and resid 64   and name HB2 ))
   (  segid "    " and resid 64   and name HD1%)
 OR { 1342}
   (( segid "    " and resid 64   and name HB2 ))
   (  segid "    " and resid 64   and name HD2%)
 ASSI { 1343}
   (( segid "    " and resid 135  and name HB2 ))
   (  segid "    " and resid 135  and name HD2%)
      6.000     4.500     0.000 peak  1343 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.728 ppm2      0.080 CV     1
 ASSI { 1347}
   (( segid "    " and resid 64   and name HB2 ))
   (( segid "    " and resid 68   and name HB2 ))
      6.000     4.500     0.000 peak  1347 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.724 ppm2      2.169 CV     1
 ASSI { 1349}
   (( segid "    " and resid 135  and name HB2 ))
   (( segid "    " and resid 135  and name HB1 ))
      6.000     4.500     0.000 peak  1349 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.721 ppm2      1.305 CV     1
 ASSI { 1350}
   (( segid "    " and resid 135  and name HB2 ))
   (  segid "    " and resid 135  and name HD1%)
      6.000     4.500     0.000 peak  1350 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.723 ppm2      0.370 CV     1
 ASSI { 1353}
   (( segid "    " and resid 45   and name HB1 ))
   (( segid "    " and resid 45   and name HA  ))
      6.000     4.500     0.000 peak  1353 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.597 ppm2      4.428 CV     1
 OR { 1353}
   (( segid "    " and resid 45   and name HB2 ))
   (( segid "    " and resid 45   and name HA  ))
 ASSI { 1355}
   (( segid "    " and resid 45   and name HB2 ))
   (  segid "    " and resid 45   and name HD1%)
      6.000     4.500     0.000 peak  1355 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.607 ppm2      0.871 CV     1
 OR { 1355}
   (( segid "    " and resid 45   and name HB1 ))
   (  segid "    " and resid 45   and name HD1%)
 ASSI { 1368}
   (( segid "    " and resid 150  and name HD2 ))
   (( segid "    " and resid 150  and name HB2 ))
      6.000     4.500     0.000 peak  1368 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.096 ppm2      1.261 CV     1
 ASSI { 1373}
   (( segid "    " and resid 150  and name HD2 ))
   (( segid "    " and resid 150  and name HB1 ))
      6.000     4.500     0.000 peak  1373 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.094 ppm2      0.906 CV     1
 ASSI { 1374}
   (( segid "    " and resid 23   and name HE2 ))
   (( segid "    " and resid 23   and name HD1 ))
      6.000     4.500     0.000 peak  1374 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.988 ppm2      1.678 CV     1
 OR { 1374}
   (( segid "    " and resid 23   and name HE1 ))
   (( segid "    " and resid 23   and name HD2 ))
 OR { 1374}
   (( segid "    " and resid 23   and name HE2 ))
   (( segid "    " and resid 23   and name HD2 ))
 OR { 1374}
   (( segid "    " and resid 23   and name HE1 ))
   (( segid "    " and resid 23   and name HD1 ))
 ASSI { 1376}
   (( segid "    " and resid 157  and name HE2 ))
   (( segid "    " and resid 157  and name HG2 ))
      6.000     4.500     0.000 peak  1376 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.959 ppm2      1.541 CV     1
 OR { 1376}
   (( segid "    " and resid 157  and name HE1 ))
   (( segid "    " and resid 157  and name HG2 ))
 ASSI { 1377}
   (( segid "    " and resid 150  and name HD1 ))
   (( segid "    " and resid 150  and name HG1 ))
      6.000     4.500     0.000 peak  1377 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.962 ppm2      1.423 CV     1
 ASSI { 1378}
   (( segid "    " and resid 157  and name HE1 ))
   (  segid "    " and resid 40   and name HD% )
      6.000     4.500     0.000 peak  1378 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.945 ppm2      7.147 CV     1
 ASSI { 1381}
   (( segid "    " and resid 157  and name HE1 ))
   (( segid "    " and resid 154  and name HG2 ))
      6.000     4.500     0.000 peak  1381 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.946 ppm2      0.745 CV     1
 OR { 1381}
   (( segid "    " and resid 157  and name HE2 ))
   (( segid "    " and resid 154  and name HG2 ))
 ASSI { 1387}
   (( segid "    " and resid 25   and name HB2 ))
   (( segid "    " and resid 25   and name HB1 ))
      6.000     4.500     0.000 peak  1387 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.129 ppm2      1.231 CV     1
 ASSI { 1388}
   (( segid "    " and resid 25   and name HB2 ))
   (  segid "    " and resid 25   and name HD1%)
      6.000     4.500     0.000 peak  1388 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.127 ppm2      0.827 CV     1
 OR { 1388}
   (( segid "    " and resid 25   and name HB2 ))
   (  segid "    " and resid 25   and name HD2%)
 ASSI { 1389}
   (( segid "    " and resid 128  and name HB2 ))
   (( segid "    " and resid 128  and name HG  ))
      6.000     4.500     0.000 peak  1389 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.003 ppm2      0.267 CV     1
 ASSI { 1391}
   (( segid "    " and resid 128  and name HB2 ))
   (( segid "    " and resid 128  and name HB1 ))
      6.000     4.500     0.000 peak  1391 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.976 ppm2      1.200 CV     1
 ASSI { 1392}
   (( segid "    " and resid 128  and name HB2 ))
   (  segid "    " and resid 128  and name HD2%)
      6.000     4.500     0.000 peak  1392 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.979 ppm2      0.570 CV     1
 OR { 1392}
   (( segid "    " and resid 128  and name HB2 ))
   (  segid "    " and resid 128  and name HD1%)
 ASSI { 1399}
   (( segid "    " and resid 135  and name HB1 ))
   (( segid "    " and resid 143  and name HG  ))
      6.000     4.500     0.000 peak  1399 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.318 ppm2      0.955 CV     1
 ASSI { 1401}
   (( segid "    " and resid 135  and name HB1 ))
   (  segid "    " and resid 135  and name HD1%)
      6.000     4.500     0.000 peak  1401 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.308 ppm2      0.377 CV     1
 ASSI { 1402}
   (( segid "    " and resid 135  and name HB1 ))
   (  segid "    " and resid 135  and name HD2%)
      6.000     4.500     0.000 peak  1402 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.307 ppm2      0.084 CV     1
 ASSI { 1406}
   (( segid "    " and resid 25   and name HB1 ))
   (( segid "    " and resid 33   and name HA  ))
      6.000     4.500     0.000 peak  1406 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.228 ppm2      3.848 CV     1
 ASSI { 1408}
   (( segid "    " and resid 25   and name HB1 ))
   (  segid "    " and resid 25   and name HD2%)
      6.000     4.500     0.000 peak  1408 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.231 ppm2      0.828 CV     1
 OR { 1408}
   (( segid "    " and resid 25   and name HB1 ))
   (  segid "    " and resid 25   and name HD1%)
 ASSI { 1409}
   (( segid "    " and resid 128  and name HB1 ))
   (( segid "    " and resid 129  and name HN  ))
      6.000     4.500     0.000 peak  1409 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.213 ppm2      8.631 CV     1
 ASSI { 1411}
   (( segid "    " and resid 25   and name HB1 ))
   (( segid "    " and resid 25   and name HG  ))
      6.000     4.500     0.000 peak  1411 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.212 ppm2      1.947 CV     1
 ASSI { 1412}
   (( segid "    " and resid 128  and name HB1 ))
   (  segid "    " and resid 128  and name HD2%)
      6.000     4.500     0.000 peak  1412 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.207 ppm2      0.572 CV     1
 OR { 1412}
   (( segid "    " and resid 128  and name HB1 ))
   (  segid "    " and resid 128  and name HD1%)
 ASSI { 1414}
   (( segid "    " and resid 128  and name HB1 ))
   (( segid "    " and resid 128  and name HG  ))
      6.000     4.500     0.000 peak  1414 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.200 ppm2      0.275 CV     1
 ASSI { 1431}
   (( segid "    " and resid 22   and name HB2 ))
   (  segid "    " and resid 7    and name HD1%)
      6.000     4.500     0.000 peak  1431 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.070 ppm2      0.694 CV     1
 ASSI { 1432}
   (( segid "    " and resid 128  and name HB2 ))
   (( segid "    " and resid 129  and name HN  ))
      6.000     4.500     0.000 peak  1432 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.989 ppm2      8.599 CV     1
 ASSI { 1433}
   (( segid "    " and resid 128  and name HB2 ))
   (  segid "    " and resid 57   and name HB% )
      6.000     4.500     0.000 peak  1433 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.996 ppm2      1.325 CV     1
 ASSI { 1438}
   (( segid "    " and resid 78   and name HB2 ))
   (( segid "    " and resid 78   and name HN  ))
      6.000     4.500     0.000 peak  1438 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.860 ppm2      7.610 CV     1
 ASSI { 1440}
   (( segid "    " and resid 78   and name HB2 ))
   (  segid "    " and resid 78   and name HD1%)
      6.000     4.500     0.000 peak  1440 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.859 ppm2      0.807 CV     1
 OR { 1440}
   (( segid "    " and resid 78   and name HB2 ))
   (  segid "    " and resid 78   and name HD2%)
 ASSI { 1441}
   (( segid "    " and resid 78   and name HB2 ))
   (( segid "    " and resid 79   and name HN  ))
      6.000     4.500     0.000 peak  1441 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.855 ppm2      8.603 CV     1
 ASSI { 1442}
   (( segid "    " and resid 78   and name HB2 ))
   (( segid "    " and resid 78   and name HB1 ))
      6.000     4.500     0.000 peak  1442 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.857 ppm2      1.533 CV     1
 ASSI { 1443}
   (( segid "    " and resid 5    and name HB  ))
   (( segid "    " and resid 58   and name HN  ))
      6.000     4.500     0.000 peak  1443 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.743 ppm2      9.148 CV     1
 ASSI { 1446}
   (( segid "    " and resid 5    and name HB  ))
   (  segid "    " and resid 5    and name HG2%)
      6.000     4.500     0.000 peak  1446 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.733 ppm2      0.827 CV     1
 ASSI { 1454}
   (( segid "    " and resid 106  and name HB  ))
   (  segid "    " and resid 108  and name HG2%)
      6.000     4.500     0.000 peak  1454 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.434 ppm2      1.187 CV     1
 ASSI { 1457}
   (( segid "    " and resid 106  and name HB  ))
   (  segid "    " and resid 106  and name HD1%)
      6.000     4.500     0.000 peak  1457 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.426 ppm2      0.612 CV     1
 ASSI { 1461}
   (( segid "    " and resid 27   and name HB2 ))
   (( segid "    " and resid 27   and name HB1 ))
      6.000     4.500     0.000 peak  1461 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.904 ppm2      2.567 CV     1
 ASSI { 1472}
   (( segid "    " and resid 52   and name HB1 ))
   (( segid "    " and resid 52   and name HN  ))
      6.000     4.500     0.000 peak  1472 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.444 ppm2      7.992 CV     1
 ASSI { 1474}
   (( segid "    " and resid 22   and name HB2 ))
   (( segid "    " and resid 23   and name HN  ))
      6.000     4.500     0.000 peak  1474 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.085 ppm2      7.765 CV     1
 ASSI { 1477}
   (( segid "    " and resid 22   and name HB2 ))
   (( segid "    " and resid 22   and name HB1 ))
      6.000     4.500     0.000 peak  1477 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.072 ppm2      1.442 CV     1
 ASSI { 1478}
   (( segid "    " and resid 22   and name HB2 ))
   (  segid "    " and resid 22   and name HD2%)
      6.000     4.500     0.000 peak  1478 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.075 ppm2      1.092 CV     1
 ASSI { 1481}
   (( segid "    " and resid 70   and name HB2 ))
   (( segid "    " and resid 70   and name HB1 ))
      6.000     4.500     0.000 peak  1481 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.844 ppm2      0.985 CV     1
 ASSI { 1484}
   (( segid "    " and resid 5    and name HB  ))
   (( segid "    " and resid 58   and name HB  ))
      6.000     4.500     0.000 peak  1484 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.744 ppm2      1.951 CV     1
 ASSI { 1489}
   (( segid "    " and resid 22   and name HB1 ))
   (( segid "    " and resid 22   and name HN  ))
      6.000     4.500     0.000 peak  1489 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.439 ppm2      8.550 CV     1
 ASSI { 1490}
   (( segid "    " and resid 22   and name HB1 ))
   (( segid "    " and resid 23   and name HN  ))
      6.000     4.500     0.000 peak  1490 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.433 ppm2      7.746 CV     1
 ASSI { 1492}
   (( segid "    " and resid 22   and name HB1 ))
   (  segid "    " and resid 22   and name HD2%)
      6.000     4.500     0.000 peak  1492 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.440 ppm2      1.084 CV     1
 ASSI { 1493}
   (( segid "    " and resid 147  and name HB2 ))
   (( segid "    " and resid 147  and name HG  ))
      6.000     4.500     0.000 peak  1493 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.091 ppm2      0.866 CV     1
 ASSI { 1497}
   (( segid "    " and resid 147  and name HB2 ))
   (( segid "    " and resid 147  and name HB1 ))
      6.000     4.500     0.000 peak  1497 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.084 ppm2      0.679 CV     1
 ASSI { 1507}
   (( segid "    " and resid 147  and name HB1 ))
   (( segid "    " and resid 147  and name HG  ))
      6.000     4.500     0.000 peak  1507 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.676 ppm2      0.871 CV     1
 ASSI { 1509}
   (( segid "    " and resid 147  and name HB1 ))
   (( segid "    " and resid 147  and name HN  ))
      6.000     4.500     0.000 peak  1509 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.671 ppm2      7.417 CV     1
 ASSI { 1510}
   (( segid "    " and resid 101  and name HB2 ))
   (  segid "    " and resid 101  and name HD% )
      6.000     4.500     0.000 peak  1510 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.319 ppm2      7.007 CV     1
 ASSI { 1511}
   (( segid "    " and resid 101  and name HB2 ))
   (( segid "    " and resid 101  and name HB1 ))
      6.000     4.500     0.000 peak  1511 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.311 ppm2      2.306 CV     1
 ASSI { 1512}
   (( segid "    " and resid 101  and name HB2 ))
   (  segid "    " and resid 113  and name HG2%)
      6.000     4.500     0.000 peak  1512 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.315 ppm2      1.145 CV     1
 ASSI { 1513}
   (( segid "    " and resid 101  and name HB2 ))
   (  segid "    " and resid 106  and name HD1%)
      6.000     4.500     0.000 peak  1513 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.306 ppm2      0.620 CV     1
 ASSI { 1515}
   (( segid "    " and resid 40   and name HB1 ))
   (( segid "    " and resid 40   and name HN  ))
      6.000     4.500     0.000 peak  1515 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.864 ppm2      9.400 CV     1
 ASSI { 1519}
   (( segid "    " and resid 97   and name HB2 ))
   (  segid "    " and resid 6    and name HB% )
      6.000     4.500     0.000 peak  1519 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.536 ppm2      1.749 CV     1
 ASSI { 1530}
   (( segid "    " and resid 97   and name HB1 ))
   (  segid "    " and resid 6    and name HB% )
      6.000     4.500     0.000 peak  1530 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.332 ppm2      1.747 CV     1
 ASSI { 1532}
   (( segid "    " and resid 101  and name HB1 ))
   (  segid "    " and resid 101  and name HD% )
      6.000     4.500     0.000 peak  1532 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.318 ppm2      7.016 CV     1
 ASSI { 1535}
   (( segid "    " and resid 101  and name HB1 ))
   (  segid "    " and resid 106  and name HD1%)
      6.000     4.500     0.000 peak  1535 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.305 ppm2      0.620 CV     1
 ASSI { 1538}
   (( segid "    " and resid 70   and name HB2 ))
   (( segid "    " and resid 67   and name HA  ))
      6.000     4.500     0.000 peak  1538 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.847 ppm2      3.639 CV     1
 ASSI { 1539}
   (( segid "    " and resid 70   and name HB2 ))
   (  segid "    " and resid 70   and name HD2%)
      6.000     4.500     0.000 peak  1539 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.841 ppm2      0.449 CV     1
 ASSI { 1542}
   (( segid "    " and resid 15   and name HB2 ))
   (( segid "    " and resid 15   and name HN  ))
      6.000     4.500     0.000 peak  1542 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.601 ppm2      8.195 CV     1
 ASSI { 1543}
   (( segid "    " and resid 15   and name HB2 ))
   (( segid "    " and resid 15   and name HB1 ))
      6.000     4.500     0.000 peak  1543 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.603 ppm2      1.446 CV     1
 ASSI { 1544}
   (( segid "    " and resid 15   and name HB1 ))
   (( segid "    " and resid 15   and name HN  ))
      6.000     4.500     0.000 peak  1544 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.446 ppm2      8.189 CV     1
 ASSI { 1546}
   (( segid "    " and resid 70   and name HB1 ))
   (( segid "    " and resid 70   and name HN  ))
      6.000     4.500     0.000 peak  1546 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.993 ppm2      7.795 CV     1
 ASSI { 1551}
   (( segid "    " and resid 40   and name HB2 ))
   (( segid "    " and resid 40   and name HN  ))
      6.000     4.500     0.000 peak  1551 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.088 ppm2      9.400 CV     1
 ASSI { 1552}
   (( segid "    " and resid 40   and name HB2 ))
   (  segid "    " and resid 40   and name HD% )
      6.000     4.500     0.000 peak  1552 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.085 ppm2      7.120 CV     1
 ASSI { 1554}
   (( segid "    " and resid 40   and name HB2 ))
   (( segid "    " and resid 40   and name HB1 ))
      6.000     4.500     0.000 peak  1554 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.072 ppm2      2.840 CV     1
 ASSI { 1558}
   (( segid "    " and resid 153  and name HB2 ))
   (( segid "    " and resid 154  and name HB1 ))
      6.000     4.500     0.000 peak  1558 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.744 ppm2      1.365 CV     1
 OR { 1558}
   (( segid "    " and resid 153  and name HB2 ))
   (( segid "    " and resid 154  and name HB2 ))
 ASSI { 1564}
   (( segid "    " and resid 153  and name HB1 ))
   (( segid "    " and resid 153  and name HB2 ))
      6.000     4.500     0.000 peak  1564 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.592 ppm2      2.740 CV     1
 ASSI { 1566}
   (( segid "    " and resid 119  and name HE2 ))
   (( segid "    " and resid 119  and name HB2 ))
      6.000     4.500     0.000 peak  1566 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.270 ppm2      1.696 CV     1
 ASSI { 1567}
   (( segid "    " and resid 15   and name HB2 ))
   (( segid "    " and resid 15   and name HA  ))
      6.000     4.500     0.000 peak  1567 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.609 ppm2      3.465 CV     1
 ASSI { 1568}
   (( segid "    " and resid 15   and name HB1 ))
   (( segid "    " and resid 15   and name HA  ))
      6.000     4.500     0.000 peak  1568 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.441 ppm2      3.468 CV     1
 ASSI { 1571}
   (( segid "    " and resid 7    and name HB  ))
   (  segid "    " and resid 18   and name HG1%)
      6.000     4.500     0.000 peak  1571 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.443 ppm2      0.294 CV     1
 ASSI { 1575}
   (( segid "    " and resid 4    and name HB1 ))
   (( segid "    " and resid 128  and name HG  ))
      6.000     4.500     0.000 peak  1575 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.724 ppm2      0.277 CV     1
 OR { 1575}
   (( segid "    " and resid 4    and name HB2 ))
   (( segid "    " and resid 128  and name HG  ))
 ASSI { 1576}
   (( segid "    " and resid 4    and name HB2 ))
   (( segid "    " and resid 100  and name HB1 ))
      6.000     4.500     0.000 peak  1576 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.709 ppm2      1.789 CV     1
 OR { 1576}
   (( segid "    " and resid 4    and name HB1 ))
   (( segid "    " and resid 100  and name HB1 ))
 ASSI { 1579}
   (( segid "    " and resid 119  and name HE2 ))
   (( segid "    " and resid 119  and name HG1 ))
      6.000     4.500     0.000 peak  1579 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.260 ppm2      1.275 CV     1
 ASSI { 1582}
   (( segid "    " and resid 7    and name HB  ))
   (( segid "    " and resid 56   and name HN  ))
      6.000     4.500     0.000 peak  1582 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.453 ppm2      9.190 CV     1
 ASSI { 1583}
   (( segid "    " and resid 7    and name HB  ))
   (( segid "    " and resid 7    and name HN  ))
      6.000     4.500     0.000 peak  1583 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.441 ppm2      8.811 CV     1
 ASSI { 1585}
   (( segid "    " and resid 7    and name HB  ))
   (  segid "    " and resid 7    and name HD1%)
      6.000     4.500     0.000 peak  1585 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.446 ppm2      0.664 CV     1
 ASSI { 1589}
   (( segid "    " and resid 69   and name HB1 ))
   (  segid "    " and resid 69   and name HD2%)
      6.000     4.500     0.000 peak  1589 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.291 ppm2      0.951 CV     1
 OR { 1589}
   (( segid "    " and resid 69   and name HB1 ))
   (  segid "    " and resid 69   and name HD1%)
 ASSI { 1594}
   (( segid "    " and resid 120  and name HB2 ))
   (( segid "    " and resid 120  and name HB1 ))
      6.000     4.500     0.000 peak  1594 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.008 ppm2      2.566 CV     1
 ASSI { 1604}
   (( segid "    " and resid 4    and name HB2 ))
   (  segid "    " and resid 100  and name HD2%)
      6.000     4.500     0.000 peak  1604 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.737 ppm2      0.650 CV     1
 OR { 1604}
   (( segid "    " and resid 4    and name HB1 ))
   (  segid "    " and resid 100  and name HD2%)
 ASSI { 1605}
   (( segid "    " and resid 4    and name HB2 ))
   (  segid "    " and resid 4    and name HD% )
      6.000     4.500     0.000 peak  1605 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.726 ppm2      6.811 CV     1
 OR { 1605}
   (( segid "    " and resid 4    and name HB1 ))
   (  segid "    " and resid 4    and name HD% )
 ASSI { 1615}
   (( segid "    " and resid 139  and name HB1 ))
   (( segid "    " and resid 139  and name HB2 ))
      6.000     4.500     0.000 peak  1615 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.572 ppm2      3.017 CV     1
 ASSI { 1618}
   (( segid "    " and resid 120  and name HB1 ))
   (( segid "    " and resid 121  and name HN  ))
      6.000     4.500     0.000 peak  1618 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.533 ppm2      7.024 CV     1
 ASSI { 1621}
   (( segid "    " and resid 69   and name HB2 ))
   (( segid "    " and resid 69   and name HA  ))
      6.000     4.500     0.000 peak  1621 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.204 ppm2      4.165 CV     1
 ASSI { 1623}
   (( segid "    " and resid 69   and name HB2 ))
   (  segid "    " and resid 69   and name HD2%)
      6.000     4.500     0.000 peak  1623 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.189 ppm2      0.960 CV     1
 OR { 1623}
   (( segid "    " and resid 69   and name HB2 ))
   (  segid "    " and resid 69   and name HD1%)
 ASSI { 1624}
   (( segid "    " and resid 69   and name HB2 ))
   (( segid "    " and resid 66   and name HG2 ))
      6.000     4.500     0.000 peak  1624 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.189 ppm2      0.744 CV     1
 ASSI { 1626}
   (( segid "    " and resid 69   and name HB1 ))
   (( segid "    " and resid 66   and name HA  ))
      6.000     4.500     0.000 peak  1626 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.299 ppm2      3.339 CV     1
 ASSI { 1629}
   (( segid "    " and resid 69   and name HB1 ))
   (( segid "    " and resid 69   and name HB2 ))
      6.000     4.500     0.000 peak  1629 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.295 ppm2      2.208 CV     1
 ASSI { 1630}
   (( segid "    " and resid 69   and name HB1 ))
   (( segid "    " and resid 66   and name HG2 ))
      6.000     4.500     0.000 peak  1630 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.290 ppm2      0.747 CV     1
 ASSI { 1632}
   (( segid "    " and resid 53   and name HB2 ))
   (  segid "    " and resid 42   and name HG2%)
      6.000     4.500     0.000 peak  1632 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.878 ppm2      1.240 CV     1
 ASSI { 1634}
   (( segid "    " and resid 156  and name HB2 ))
   (( segid "    " and resid 41   and name HB1 ))
      6.000     4.500     0.000 peak  1634 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.865 ppm2      1.662 CV     1
 OR { 1634}
   (( segid "    " and resid 156  and name HB2 ))
   (( segid "    " and resid 41   and name HB2 ))
 ASSI { 1637}
   (( segid "    " and resid 156  and name HB1 ))
   (( segid "    " and resid 41   and name HB1 ))
      6.000     4.500     0.000 peak  1637 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.748 ppm2      1.709 CV     1
 OR { 1637}
   (( segid "    " and resid 156  and name HB1 ))
   (( segid "    " and resid 41   and name HB2 ))
 ASSI { 1646}
   (( segid "    " and resid 107  and name HB2 ))
   (( segid "    " and resid 107  and name HN  ))
      6.000     4.500     0.000 peak  1646 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.667 ppm2      9.180 CV     1
 ASSI { 1648}
   (( segid "    " and resid 107  and name HB2 ))
   (( segid "    " and resid 107  and name HD21))
      6.000     4.500     0.000 peak  1648 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.666 ppm2      7.799 CV     1
 ASSI { 1649}
   (( segid "    " and resid 107  and name HB2 ))
   (( segid "    " and resid 107  and name HA  ))
      6.000     4.500     0.000 peak  1649 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.672 ppm2      5.500 CV     1
 ASSI { 1653}
   (( segid "    " and resid 107  and name HB2 ))
   (  segid "    " and resid 105  and name HG1%)
      6.000     4.500     0.000 peak  1653 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.662 ppm2      1.010 CV     1
 ASSI { 1669}
   (( segid "    " and resid 152  and name HB2 ))
   (  segid "    " and resid 152  and name HD% )
      6.000     4.500     0.000 peak  1669 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.390 ppm2      7.072 CV     1
 ASSI { 1670}
   (( segid "    " and resid 152  and name HB2 ))
   (( segid "    " and resid 152  and name HB1 ))
      6.000     4.500     0.000 peak  1670 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.393 ppm2      2.688 CV     1
 ASSI { 1674}
   (( segid "    " and resid 129  and name HB2 ))
   (( segid "    " and resid 129  and name HB1 ))
      6.000     4.500     0.000 peak  1674 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.163 ppm2      2.910 CV     1
 ASSI { 1675}
   (( segid "    " and resid 129  and name HB2 ))
   (  segid "    " and resid 147  and name HD1%)
      6.000     4.500     0.000 peak  1675 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.164 ppm2     -0.465 CV     1
 ASSI { 1676}
   (( segid "    " and resid 129  and name HB2 ))
   (  segid "    " and resid 129  and name HD% )
      6.000     4.500     0.000 peak  1676 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.155 ppm2      7.198 CV     1
 ASSI { 1677}
   (( segid "    " and resid 129  and name HB2 ))
   (( segid "    " and resid 143  and name HG  ))
      6.000     4.500     0.000 peak  1677 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.153 ppm2      0.942 CV     1
 ASSI { 1679}
   (( segid "    " and resid 129  and name HB1 ))
   (  segid "    " and resid 129  and name HD% )
      6.000     4.500     0.000 peak  1679 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.888 ppm2      7.198 CV     1
 ASSI { 1682}
   (( segid "    " and resid 129  and name HB1 ))
   (( segid "    " and resid 143  and name HG  ))
      6.000     4.500     0.000 peak  1682 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.892 ppm2      0.945 CV     1
 ASSI { 1685}
   (( segid "    " and resid 129  and name HB1 ))
   (  segid "    " and resid 147  and name HD1%)
      6.000     4.500     0.000 peak  1685 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.885 ppm2     -0.468 CV     1
 ASSI { 1688}
   (( segid "    " and resid 156  and name HB2 ))
   (( segid "    " and resid 155  and name HB2 ))
      6.000     4.500     0.000 peak  1688 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.866 ppm2      1.712 CV     1
 ASSI { 1693}
   (( segid "    " and resid 152  and name HB1 ))
   (  segid "    " and resid 147  and name HD2%)
      6.000     4.500     0.000 peak  1693 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.695 ppm2     -0.557 CV     1
 ASSI { 1694}
   (( segid "    " and resid 152  and name HB1 ))
   (( segid "    " and resid 153  and name HN  ))
      6.000     4.500     0.000 peak  1694 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.681 ppm2      8.790 CV     1
 ASSI { 1695}
   (( segid "    " and resid 152  and name HB1 ))
   (  segid "    " and resid 152  and name HD% )
      6.000     4.500     0.000 peak  1695 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.690 ppm2      7.085 CV     1
 ASSI { 1706}
   (( segid "    " and resid 103  and name HB1 ))
   (( segid "    " and resid 103  and name HD21))
      6.000     4.500     0.000 peak  1706 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.985 ppm2      7.568 CV     1
 ASSI { 1707}
   (( segid "    " and resid 103  and name HB1 ))
   (( segid "    " and resid 103  and name HD22))
      6.000     4.500     0.000 peak  1707 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.985 ppm2      6.982 CV     1
 ASSI { 1710}
   (( segid "    " and resid 103  and name HB1 ))
   (( segid "    " and resid 103  and name HB2 ))
      6.000     4.500     0.000 peak  1710 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.983 ppm2      2.654 CV     1
 ASSI { 1712}
   (( segid "    " and resid 103  and name HB1 ))
   (( segid "    " and resid 138  and name HG1 ))
      6.000     4.500     0.000 peak  1712 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.986 ppm2      1.982 CV     1
 OR { 1712}
   (( segid "    " and resid 103  and name HB1 ))
   (( segid "    " and resid 138  and name HG2 ))
 ASSI { 1714}
   (( segid "    " and resid 103  and name HB2 ))
   (( segid "    " and resid 104  and name HN  ))
      6.000     4.500     0.000 peak  1714 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.656 ppm2      8.333 CV     1
 ASSI { 1715}
   (( segid "    " and resid 103  and name HB2 ))
   (( segid "    " and resid 103  and name HD21))
      6.000     4.500     0.000 peak  1715 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.657 ppm2      7.564 CV     1
 ASSI { 1717}
   (( segid "    " and resid 103  and name HB2 ))
   (( segid "    " and resid 102  and name HA1 ))
      6.000     4.500     0.000 peak  1717 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.661 ppm2      3.873 CV     1
 OR { 1717}
   (( segid "    " and resid 103  and name HB2 ))
   (( segid "    " and resid 102  and name HA2 ))
 ASSI { 1723}
   (( segid "    " and resid 131  and name HB  ))
   (( segid "    " and resid 131  and name HG12))
      6.000     4.500     0.000 peak  1723 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.132 ppm2      1.595 CV     1
 ASSI { 1724}
   (( segid "    " and resid 131  and name HB  ))
   (( segid "    " and resid 131  and name HG11))
      6.000     4.500     0.000 peak  1724 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.137 ppm2      1.483 CV     1
 ASSI { 1725}
   (( segid "    " and resid 131  and name HB  ))
   (  segid "    " and resid 59   and name HB% )
      6.000     4.500     0.000 peak  1725 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.133 ppm2      1.235 CV     1
 ASSI { 1732}
   (( segid "    " and resid 137  and name HB2 ))
   (( segid "    " and resid 137  and name HA  ))
      6.000     4.500     0.000 peak  1732 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.352 ppm2      4.302 CV     1
 ASSI { 1740}
   (( segid "    " and resid 33   and name HB  ))
   (  segid "    " and resid 33   and name HG2%)
      6.000     4.500     0.000 peak  1740 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.767 ppm2      0.758 CV     1
 ASSI { 1746}
   (( segid "    " and resid 116  and name HB2 ))
   (  segid "    " and resid 116  and name HD% )
      6.000     4.500     0.000 peak  1746 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.074 ppm2      6.676 CV     1
 ASSI { 1747}
   (( segid "    " and resid 116  and name HB2 ))
   (  segid "    " and resid 112  and name HG2%)
      6.000     4.500     0.000 peak  1747 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.069 ppm2      1.432 CV     1
 ASSI { 1751}
   (( segid "    " and resid 116  and name HB1 ))
   (  segid "    " and resid 116  and name HD% )
      6.000     4.500     0.000 peak  1751 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.928 ppm2      6.673 CV     1
 ASSI { 1753}
   (( segid "    " and resid 116  and name HB1 ))
   (  segid "    " and resid 112  and name HG2%)
      6.000     4.500     0.000 peak  1753 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.934 ppm2      1.437 CV     1
 ASSI { 1757}
   (( segid "    " and resid 67   and name HG1 ))
   (( segid "    " and resid 67   and name HN  ))
      6.000     4.500     0.000 peak  1757 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.950 ppm2      8.720 CV     1
 ASSI { 1759}
   (( segid "    " and resid 67   and name HG1 ))
   (( segid "    " and resid 67   and name HG2 ))
      6.000     4.500     0.000 peak  1759 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.947 ppm2      2.132 CV     1
 ASSI { 1760}
   (( segid "    " and resid 67   and name HG1 ))
   (  segid "    " and resid 111  and name HD2%)
      6.000     4.500     0.000 peak  1760 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.946 ppm2      0.305 CV     1
 ASSI { 1764}
   (( segid "    " and resid 146  and name HB  ))
   (( segid "    " and resid 143  and name HA  ))
      6.000     4.500     0.000 peak  1764 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.789 ppm2      4.075 CV     1
 ASSI { 1766}
   (( segid "    " and resid 146  and name HB  ))
   (  segid "    " and resid 146  and name HD1%)
      6.000     4.500     0.000 peak  1766 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.788 ppm2      0.475 CV     1
 ASSI { 1772}
   (( segid "    " and resid 19   and name HB2 ))
   (( segid "    " and resid 19   and name HD22))
      6.000     4.500     0.000 peak  1772 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.887 ppm2      6.840 CV     1
 ASSI { 1775}
   (( segid "    " and resid 19   and name HB2 ))
   (( segid "    " and resid 19   and name HD21))
      6.000     4.500     0.000 peak  1775 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.880 ppm2      7.391 CV     1
 ASSI { 1776}
   (( segid "    " and resid 19   and name HB2 ))
   (( segid "    " and resid 19   and name HB1 ))
      6.000     4.500     0.000 peak  1776 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.873 ppm2      2.671 CV     1
 ASSI { 1782}
   (( segid "    " and resid 19   and name HB1 ))
   (( segid "    " and resid 19   and name HD21))
      6.000     4.500     0.000 peak  1782 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.673 ppm2      7.386 CV     1
 ASSI { 1783}
   (( segid "    " and resid 19   and name HB1 ))
   (( segid "    " and resid 19   and name HD22))
      6.000     4.500     0.000 peak  1783 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.670 ppm2      6.839 CV     1
 ASSI { 1790}
   (( segid "    " and resid 67   and name HG2 ))
   (  segid "    " and resid 70   and name HD2%)
      6.000     4.500     0.000 peak  1790 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.135 ppm2      0.449 CV     1
 ASSI { 1791}
   (( segid "    " and resid 67   and name HG2 ))
   (  segid "    " and resid 111  and name HD2%)
      6.000     4.500     0.000 peak  1791 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.133 ppm2      0.308 CV     1
 ASSI { 1792}
   (( segid "    " and resid 67   and name HG2 ))
   (( segid "    " and resid 68   and name HN  ))
      6.000     4.500     0.000 peak  1792 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.129 ppm2      6.873 CV     1
 ASSI { 1793}
   (( segid "    " and resid 67   and name HG1 ))
   (( segid "    " and resid 66   and name HG2 ))
      6.000     4.500     0.000 peak  1793 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.964 ppm2      0.779 CV     1
 ASSI { 1794}
   (( segid "    " and resid 67   and name HG1 ))
   (( segid "    " and resid 67   and name HA  ))
      6.000     4.500     0.000 peak  1794 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.950 ppm2      3.623 CV     1
 ASSI { 1796}
   (( segid "    " and resid 67   and name HG1 ))
   (  segid "    " and resid 70   and name HD2%)
      6.000     4.500     0.000 peak  1796 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.949 ppm2      0.444 CV     1
 ASSI { 1798}
   (( segid "    " and resid 76   and name HB  ))
   (( segid "    " and resid 77   and name HN  ))
      6.000     4.500     0.000 peak  1798 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.874 ppm2      8.299 CV     1
 ASSI { 1799}
   (( segid "    " and resid 76   and name HB  ))
   (( segid "    " and resid 76   and name HN  ))
      6.000     4.500     0.000 peak  1799 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.877 ppm2      8.071 CV     1
 ASSI { 1805}
   (( segid "    " and resid 28   and name HB  ))
   (  segid "    " and resid 69   and name HD1%)
      6.000     4.500     0.000 peak  1805 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.546 ppm2      0.939 CV     1
 OR { 1805}
   (( segid "    " and resid 28   and name HB  ))
   (  segid "    " and resid 69   and name HD2%)
 ASSI { 1808}
   (( segid "    " and resid 28   and name HB  ))
   (( segid "    " and resid 28   and name HG11))
      6.000     4.500     0.000 peak  1808 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.539 ppm2      2.055 CV     1
 OR { 1808}
   (( segid "    " and resid 28   and name HB  ))
   (( segid "    " and resid 28   and name HG12))
 ASSI { 1810}
   (( segid "    " and resid 28   and name HB  ))
   (  segid "    " and resid 28   and name HG2%)
      6.000     4.500     0.000 peak  1810 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.540 ppm2      0.606 CV     1
 ASSI { 1813}
   (( segid "    " and resid 39   and name HB2 ))
   (  segid "    " and resid 39   and name HD% )
      6.000     4.500     0.000 peak  1813 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.319 ppm2      6.977 CV     1
 ASSI { 1814}
   (( segid "    " and resid 39   and name HB2 ))
   (  segid "    " and resid 54   and name HD2%)
      6.000     4.500     0.000 peak  1814 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.321 ppm2     -0.528 CV     1
 ASSI { 1818}
   (( segid "    " and resid 39   and name HB2 ))
   (  segid "    " and resid 54   and name HD1%)
      6.000     4.500     0.000 peak  1818 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.296 ppm2      0.170 CV     1
 ASSI { 1821}
   (( segid "    " and resid 39   and name HB1 ))
   (  segid "    " and resid 39   and name HD% )
      6.000     4.500     0.000 peak  1821 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.817 ppm2      6.984 CV     1
 ASSI { 1822}
   (( segid "    " and resid 39   and name HB1 ))
   (( segid "    " and resid 39   and name HB2 ))
      6.000     4.500     0.000 peak  1822 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.812 ppm2      3.315 CV     1
 ASSI { 1823}
   (( segid "    " and resid 39   and name HB1 ))
   (  segid "    " and resid 54   and name HD2%)
      6.000     4.500     0.000 peak  1823 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.821 ppm2     -0.519 CV     1
 ASSI { 1824}
   (( segid "    " and resid 39   and name HB1 ))
   (( segid "    " and resid 39   and name HN  ))
      6.000     4.500     0.000 peak  1824 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.807 ppm2      8.739 CV     1
 ASSI { 1826}
   (( segid "    " and resid 39   and name HB1 ))
   (  segid "    " and resid 54   and name HD1%)
      6.000     4.500     0.000 peak  1826 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.804 ppm2      0.175 CV     1
 ASSI { 1827}
   (( segid "    " and resid 98   and name HB  ))
   (  segid "    " and resid 98   and name HG2%)
      6.000     4.500     0.000 peak  1827 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.079 ppm2      0.801 CV     1
 ASSI { 1828}
   (( segid "    " and resid 98   and name HB  ))
   (  segid "    " and resid 111  and name HD1%)
      6.000     4.500     0.000 peak  1828 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.079 ppm2      0.336 CV     1
 ASSI { 1836}
   (( segid "    " and resid 113  and name HB  ))
   (  segid "    " and resid 106  and name HD1%)
      6.000     4.500     0.000 peak  1836 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.853 ppm2      0.612 CV     1
 ASSI { 1837}
   (( segid "    " and resid 123  and name HB2 ))
   (( segid "    " and resid 123  and name HA  ))
      6.000     4.500     0.000 peak  1837 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.183 ppm2      4.336 CV     1
 ASSI { 1838}
   (( segid "    " and resid 123  and name HB2 ))
   (( segid "    " and resid 123  and name HB1 ))
      6.000     4.500     0.000 peak  1838 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.178 ppm2      2.907 CV     1
 ASSI { 1840}
   (( segid "    " and resid 123  and name HB2 ))
   (( segid "    " and resid 126  and name HB2 ))
      6.000     4.500     0.000 peak  1840 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.171 ppm2      3.019 CV     1
 ASSI { 1841}
   (( segid "    " and resid 123  and name HB2 ))
   (  segid "    " and resid 42   and name HG2%)
      6.000     4.500     0.000 peak  1841 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.170 ppm2      1.239 CV     1
 ASSI { 1842}
   (( segid "    " and resid 123  and name HB1 ))
   (  segid "    " and resid 42   and name HG2%)
      6.000     4.500     0.000 peak  1842 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.928 ppm2      1.242 CV     1
 ASSI { 1844}
   (( segid "    " and resid 123  and name HB1 ))
   (( segid "    " and resid 155  and name HG  ))
      6.000     4.500     0.000 peak  1844 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.923 ppm2      0.913 CV     1
 ASSI { 1851}
   (( segid "    " and resid 141  and name HG2 ))
   (( segid "    " and resid 142  and name HN  ))
      6.000     4.500     0.000 peak  1851 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.280 ppm2      9.256 CV     1
 ASSI { 1854}
   (( segid "    " and resid 141  and name HG2 ))
   (( segid "    " and resid 141  and name HB2 ))
      6.000     4.500     0.000 peak  1854 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.279 ppm2      1.858 CV     1
 ASSI { 1855}
   (( segid "    " and resid 141  and name HG2 ))
   (( segid "    " and resid 146  and name HG11))
      6.000     4.500     0.000 peak  1855 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.285 ppm2      0.985 CV     1
 ASSI { 1856}
   (( segid "    " and resid 141  and name HG2 ))
   (  segid "    " and resid 146  and name HD1%)
      6.000     4.500     0.000 peak  1856 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.279 ppm2      0.468 CV     1
 ASSI { 1857}
   (( segid "    " and resid 141  and name HG1 ))
   (( segid "    " and resid 142  and name HN  ))
      6.000     4.500     0.000 peak  1857 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.047 ppm2      9.264 CV     1
 ASSI { 1860}
   (( segid "    " and resid 141  and name HG1 ))
   (( segid "    " and resid 141  and name HG2 ))
      6.000     4.500     0.000 peak  1860 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.048 ppm2      2.277 CV     1
 ASSI { 1863}
   (( segid "    " and resid 141  and name HG1 ))
   (  segid "    " and resid 146  and name HD1%)
      6.000     4.500     0.000 peak  1863 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.044 ppm2      0.477 CV     1
 ASSI { 1868}
   (( segid "    " and resid 113  and name HB  ))
   (( segid "    " and resid 106  and name HB  ))
      6.000     4.500     0.000 peak  1868 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.853 ppm2      1.412 CV     1
 ASSI { 1869}
   (( segid "    " and resid 113  and name HB  ))
   (  segid "    " and resid 113  and name HG2%)
      6.000     4.500     0.000 peak  1869 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.852 ppm2      1.145 CV     1
 ASSI { 1876}
   (( segid "    " and resid 71   and name HB2 ))
   (( segid "    " and resid 71   and name HB1 ))
      6.000     4.500     0.000 peak  1876 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.048 ppm2      2.583 CV     1
 ASSI { 1881}
   (( segid "    " and resid 77   and name HG2 ))
   (( segid "    " and resid 77   and name HB1 ))
      6.000     4.500     0.000 peak  1881 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.826 ppm2      1.860 CV     1
 ASSI { 1882}
   (( segid "    " and resid 77   and name HG2 ))
   (( segid "    " and resid 96   and name HG  ))
      6.000     4.500     0.000 peak  1882 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.831 ppm2      1.594 CV     1
 ASSI { 1883}
   (( segid "    " and resid 77   and name HG2 ))
   (( segid "    " and resid 77   and name HB2 ))
      6.000     4.500     0.000 peak  1883 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.819 ppm2      2.580 CV     1
 ASSI { 1884}
   (( segid "    " and resid 77   and name HG2 ))
   (( segid "    " and resid 77   and name HG1 ))
      6.000     4.500     0.000 peak  1884 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.816 ppm2      2.054 CV     1
 ASSI { 1892}
   (( segid "    " and resid 77   and name HG1 ))
   (( segid "    " and resid 96   and name HN  ))
      6.000     4.500     0.000 peak  1892 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.057 ppm2     10.547 CV     1
 ASSI { 1895}
   (( segid "    " and resid 77   and name HG1 ))
   (( segid "    " and resid 77   and name HB2 ))
      6.000     4.500     0.000 peak  1895 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.050 ppm2      2.581 CV     1
 ASSI { 1899}
   (( segid "    " and resid 77   and name HG2 ))
   (( segid "    " and resid 80   and name HB1 ))
      6.000     4.500     0.000 peak  1899 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.824 ppm2      2.317 CV     1
 OR { 1899}
   (( segid "    " and resid 77   and name HG2 ))
   (( segid "    " and resid 80   and name HB2 ))
 ASSI { 1902}
   (( segid "    " and resid 104  and name HG1 ))
   (( segid "    " and resid 103  and name HN  ))
      6.000     4.500     0.000 peak  1902 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.583 ppm2      9.250 CV     1
 ASSI { 1903}
   (( segid "    " and resid 104  and name HG1 ))
   (( segid "    " and resid 104  and name HN  ))
      6.000     4.500     0.000 peak  1903 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.582 ppm2      8.328 CV     1
 ASSI { 1904}
   (( segid "    " and resid 104  and name HG1 ))
   (( segid "    " and resid 105  and name HN  ))
      6.000     4.500     0.000 peak  1904 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.583 ppm2      8.176 CV     1
 ASSI { 1906}
   (( segid "    " and resid 104  and name HG1 ))
   (  segid "    " and resid 101  and name HD% )
      6.000     4.500     0.000 peak  1906 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.581 ppm2      7.013 CV     1
 ASSI { 1907}
   (( segid "    " and resid 104  and name HG1 ))
   (( segid "    " and resid 104  and name HA  ))
      6.000     4.500     0.000 peak  1907 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.581 ppm2      4.256 CV     1
 ASSI { 1908}
   (( segid "    " and resid 104  and name HG1 ))
   (( segid "    " and resid 104  and name HB2 ))
      6.000     4.500     0.000 peak  1908 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.583 ppm2      2.159 CV     1
 ASSI { 1910}
   (( segid "    " and resid 104  and name HG1 ))
   (  segid "    " and resid 106  and name HD1%)
      6.000     4.500     0.000 peak  1910 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.585 ppm2      0.595 CV     1
 ASSI { 1915}
   (( segid "    " and resid 104  and name HG2 ))
   (( segid "    " and resid 104  and name HA  ))
      6.000     4.500     0.000 peak  1915 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.504 ppm2      4.253 CV     1
 ASSI { 1918}
   (( segid "    " and resid 104  and name HG2 ))
   (  segid "    " and resid 106  and name HD1%)
      6.000     4.500     0.000 peak  1918 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.498 ppm2      0.601 CV     1
 ASSI { 1919}
   (( segid "    " and resid 104  and name HG2 ))
   (  segid "    " and resid 101  and name HD% )
      6.000     4.500     0.000 peak  1919 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.494 ppm2      7.011 CV     1
 ASSI { 1922}
   (( segid "    " and resid 109  and name HG2 ))
   (( segid "    " and resid 109  and name HB1 ))
      6.000     4.500     0.000 peak  1922 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.319 ppm2      2.057 CV     1
 OR { 1922}
   (( segid "    " and resid 109  and name HG2 ))
   (( segid "    " and resid 109  and name HB2 ))
 ASSI { 1923}
   (( segid "    " and resid 30   and name HG2 ))
   (( segid "    " and resid 30   and name HN  ))
      6.000     4.500     0.000 peak  1923 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.155 ppm2      8.896 CV     1
 ASSI { 1927}
   (( segid "    " and resid 58   and name HB  ))
   (  segid "    " and resid 58   and name HG2%)
      6.000     4.500     0.000 peak  1927 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.956 ppm2      0.968 CV     1
 OR { 1927}
   (( segid "    " and resid 58   and name HB  ))
   (  segid "    " and resid 58   and name HG1%)
 ASSI { 1935}
   (( segid "    " and resid 68   and name HG1 ))
   (  segid "    " and resid 65   and name HB% )
      6.000     4.500     0.000 peak  1935 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.386 ppm2      1.436 CV     1
 OR { 1935}
   (( segid "    " and resid 68   and name HG2 ))
   (  segid "    " and resid 65   and name HB% )
 ASSI { 1936}
   (( segid "    " and resid 68   and name HG2 ))
   (  segid "    " and resid 64   and name HD2%)
      6.000     4.500     0.000 peak  1936 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.389 ppm2      0.732 CV     1
 OR { 1936}
   (( segid "    " and resid 68   and name HG1 ))
   (  segid "    " and resid 64   and name HD2%)
 OR { 1936}
   (( segid "    " and resid 68   and name HG2 ))
   (  segid "    " and resid 64   and name HD1%)
 ASSI { 1937}
   (( segid "    " and resid 109  and name HG2 ))
   (( segid "    " and resid 109  and name HN  ))
      6.000     4.500     0.000 peak  1937 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.312 ppm2      8.874 CV     1
 ASSI { 1939}
   (( segid "    " and resid 109  and name HG1 ))
   (( segid "    " and resid 109  and name HA  ))
      6.000     4.500     0.000 peak  1939 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.249 ppm2      4.030 CV     1
 ASSI { 1940}
   (( segid "    " and resid 87   and name HG2 ))
   (( segid "    " and resid 87   and name HN  ))
      6.000     4.500     0.000 peak  1940 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.239 ppm2      8.455 CV     1
 ASSI { 1943}
   (( segid "    " and resid 30   and name HG2 ))
   (( segid "    " and resid 30   and name HA  ))
      6.000     4.500     0.000 peak  1943 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.161 ppm2      3.905 CV     1
 ASSI { 1944}
   (( segid "    " and resid 30   and name HG2 ))
   (( segid "    " and resid 30   and name HB2 ))
      6.000     4.500     0.000 peak  1944 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.165 ppm2      2.395 CV     1
 ASSI { 1945}
   (( segid "    " and resid 30   and name HG2 ))
   (( segid "    " and resid 64   and name HG  ))
      6.000     4.500     0.000 peak  1945 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.159 ppm2      0.741 CV     1
 ASSI { 1948}
   (( segid "    " and resid 30   and name HG1 ))
   (  segid "    " and resid 64   and name HD2%)
      6.000     4.500     0.000 peak  1948 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.089 ppm2      0.736 CV     1
 OR { 1948}
   (( segid "    " and resid 30   and name HG1 ))
   (( segid "    " and resid 64   and name HG  ))
 ASSI { 1950}
   (( segid "    " and resid 58   and name HB  ))
   (( segid "    " and resid 57   and name HA  ))
      6.000     4.500     0.000 peak  1950 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.964 ppm2      5.633 CV     1
 ASSI { 1956}
   (( segid "    " and resid 58   and name HB  ))
   (  segid "    " and resid 7    and name HD1%)
      6.000     4.500     0.000 peak  1956 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.958 ppm2      0.678 CV     1
 ASSI { 1962}
   (( segid "    " and resid 68   and name HG1 ))
   (( segid "    " and resid 69   and name HB1 ))
      6.000     4.500     0.000 peak  1962 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.397 ppm2      1.294 CV     1
 ASSI { 1963}
   (( segid "    " and resid 68   and name HG1 ))
   (( segid "    " and resid 67   and name HN  ))
      6.000     4.500     0.000 peak  1963 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.385 ppm2      8.710 CV     1
 ASSI { 1964}
   (( segid "    " and resid 68   and name HG1 ))
   (( segid "    " and resid 69   and name HN  ))
      6.000     4.500     0.000 peak  1964 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.389 ppm2      8.163 CV     1
 OR { 1964}
   (( segid "    " and resid 68   and name HG2 ))
   (( segid "    " and resid 69   and name HN  ))
 ASSI { 1965}
   (( segid "    " and resid 68   and name HG1 ))
   (( segid "    " and resid 64   and name HB2 ))
      6.000     4.500     0.000 peak  1965 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.389 ppm2      1.733 CV     1
 ASSI { 1968}
   (( segid "    " and resid 61   and name HG2 ))
   (( segid "    " and resid 61   and name HB2 ))
      6.000     4.500     0.000 peak  1968 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.200 ppm2      1.738 CV     1
 ASSI { 1970}
   (( segid "    " and resid 87   and name HG1 ))
   (( segid "    " and resid 87   and name HN  ))
      6.000     4.500     0.000 peak  1970 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.192 ppm2      8.473 CV     1
 ASSI { 1972}
   (( segid "    " and resid 61   and name HG2 ))
   (( segid "    " and resid 60   and name HG  ))
      6.000     4.500     0.000 peak  1972 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.191 ppm2      1.262 CV     1
 ASSI { 1974}
   (( segid "    " and resid 87   and name HG1 ))
   (  segid "    " and resid 86   and name HB% )
      6.000     4.500     0.000 peak  1974 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.179 ppm2      1.434 CV     1
 ASSI { 1980}
   (( segid "    " and resid 134  and name HG2 ))
   (( segid "    " and resid 134  and name HN  ))
      6.000     4.500     0.000 peak  1980 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.300 ppm2      8.287 CV     1
 ASSI { 1981}
   (( segid "    " and resid 134  and name HG2 ))
   (( segid "    " and resid 134  and name HB1 ))
      6.000     4.500     0.000 peak  1981 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.298 ppm2      1.741 CV     1
 ASSI { 1985}
   (( segid "    " and resid 134  and name HG1 ))
   (( segid "    " and resid 134  and name HB1 ))
      6.000     4.500     0.000 peak  1985 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.104 ppm2      1.739 CV     1
 ASSI { 1988}
   (( segid "    " and resid 61   and name HG1 ))
   (( segid "    " and resid 61   and name HG2 ))
      6.000     4.500     0.000 peak  1988 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.904 ppm2      2.191 CV     1
 ASSI { 1989}
   (( segid "    " and resid 61   and name HG1 ))
   (( segid "    " and resid 61   and name HB2 ))
      6.000     4.500     0.000 peak  1989 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.905 ppm2      1.736 CV     1
 ASSI { 1993}
   (( segid "    " and resid 74   and name HG2 ))
   (( segid "    " and resid 74   and name HA  ))
      6.000     4.500     0.000 peak  1993 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.917 ppm2      4.197 CV     1
 ASSI { 1995}
   (( segid "    " and resid 74   and name HG2 ))
   (( segid "    " and resid 74   and name HG1 ))
      6.000     4.500     0.000 peak  1995 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.908 ppm2      2.396 CV     1
 ASSI { 1996}
   (( segid "    " and resid 74   and name HG2 ))
   (( segid "    " and resid 74   and name HB1 ))
      6.000     4.500     0.000 peak  1996 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.906 ppm2      2.215 CV     1
 OR { 1996}
   (( segid "    " and resid 74   and name HG2 ))
   (( segid "    " and resid 74   and name HB2 ))
 ASSI { 1997}
   (( segid "    " and resid 74   and name HG2 ))
   (  segid "    " and resid 70   and name HD1%)
      6.000     4.500     0.000 peak  1997 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.907 ppm2      0.697 CV     1
 ASSI { 2003}
   (( segid "    " and resid 130  and name HG2 ))
   (( segid "    " and resid 130  and name HN  ))
      6.000     4.500     0.000 peak  2003 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.526 ppm2      7.600 CV     1
 ASSI { 2005}
   (( segid "    " and resid 130  and name HG2 ))
   (( segid "    " and resid 130  and name HG1 ))
      6.000     4.500     0.000 peak  2005 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.528 ppm2      2.272 CV     1
 OR { 2005}
   (( segid "    " and resid 130  and name HG2 ))
   (( segid "    " and resid 130  and name HB1 ))
 ASSI { 2008}
   (( segid "    " and resid 130  and name HG1 ))
   (( segid "    " and resid 130  and name HN  ))
      6.000     4.500     0.000 peak  2008 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.281 ppm2      7.609 CV     1
 ASSI { 2009}
   (( segid "    " and resid 130  and name HG1 ))
   (( segid "    " and resid 130  and name HA  ))
      6.000     4.500     0.000 peak  2009 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.269 ppm2      3.876 CV     1
 ASSI { 2012}
   (( segid "    " and resid 36   and name HB  ))
   (  segid "    " and resid 36   and name HG2%)
      6.000     4.500     0.000 peak  2012 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.943 ppm2      1.327 CV     1
 ASSI { 2013}
   (( segid "    " and resid 36   and name HB  ))
   (  segid "    " and resid 36   and name HG1%)
      6.000     4.500     0.000 peak  2013 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.943 ppm2      1.090 CV     1
 ASSI { 2022}
   (( segid "    " and resid 114  and name HB1 ))
   (( segid "    " and resid 114  and name HD1 ))
      6.000     4.500     0.000 peak  2022 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.094 ppm2      4.178 CV     1
 ASSI { 2024}
   (( segid "    " and resid 114  and name HB2 ))
   (( segid "    " and resid 114  and name HD1 ))
      6.000     4.500     0.000 peak  2024 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.845 ppm2      4.158 CV     1
 ASSI { 2025}
   (( segid "    " and resid 114  and name HB2 ))
   (( segid "    " and resid 114  and name HB1 ))
      6.000     4.500     0.000 peak  2025 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.840 ppm2      2.076 CV     1
 ASSI { 2028}
   (( segid "    " and resid 114  and name HB2 ))
   (( segid "    " and resid 114  and name HD2 ))
      6.000     4.500     0.000 peak  2028 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.831 ppm2      3.669 CV     1
 ASSI { 2037}
   (( segid "    " and resid 124  and name HB1 ))
   (( segid "    " and resid 124  and name HA  ))
      6.000     4.500     0.000 peak  2037 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.117 ppm2      4.374 CV     1
 OR { 2037}
   (( segid "    " and resid 124  and name HB2 ))
   (( segid "    " and resid 124  and name HA  ))
 ASSI { 2040}
   (( segid "    " and resid 124  and name HB1 ))
   (( segid "    " and resid 99   and name HG2 ))
      6.000     4.500     0.000 peak  2040 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.104 ppm2      2.636 CV     1
 OR { 2040}
   (( segid "    " and resid 124  and name HB2 ))
   (( segid "    " and resid 99   and name HG2 ))
 ASSI { 2041}
   (( segid "    " and resid 114  and name HB1 ))
   (( segid "    " and resid 114  and name HG2 ))
      6.000     4.500     0.000 peak  2041 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.093 ppm2      2.455 CV     1
 ASSI { 2044}
   (( segid "    " and resid 114  and name HB1 ))
   (  segid "    " and resid 113  and name HG1%)
      6.000     4.500     0.000 peak  2044 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.088 ppm2      0.831 CV     1
 ASSI { 2055}
   (( segid "    " and resid 79   and name HG2 ))
   (( segid "    " and resid 79   and name HB1 ))
      6.000     4.500     0.000 peak  2055 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.611 ppm2      2.121 CV     1
 ASSI { 2056}
   (( segid "    " and resid 79   and name HG2 ))
   (( segid "    " and resid 78   and name HB2 ))
      6.000     4.500     0.000 peak  2056 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.611 ppm2      1.875 CV     1
 ASSI { 2057}
   (( segid "    " and resid 79   and name HG2 ))
   (( segid "    " and resid 75   and name HG1 ))
      6.000     4.500     0.000 peak  2057 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.605 ppm2      1.550 CV     1
 ASSI { 2061}
   (( segid "    " and resid 79   and name HG1 ))
   (( segid "    " and resid 79   and name HG2 ))
      6.000     4.500     0.000 peak  2061 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.449 ppm2      2.603 CV     1
 ASSI { 2066}
   (( segid "    " and resid 142  and name HB2 ))
   (( segid "    " and resid 144  and name HN  ))
      6.000     4.500     0.000 peak  2066 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.262 ppm2      9.587 CV     1
 ASSI { 2073}
   (( segid "    " and resid 124  and name HB2 ))
   (( segid "    " and resid 121  and name HG2 ))
      6.000     4.500     0.000 peak  2073 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.101 ppm2      1.403 CV     1
 OR { 2073}
   (( segid "    " and resid 124  and name HB1 ))
   (( segid "    " and resid 121  and name HG2 ))
 ASSI { 2075}
   (( segid "    " and resid 142  and name HB1 ))
   (( segid "    " and resid 145  and name HN  ))
      6.000     4.500     0.000 peak  2075 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.061 ppm2      6.740 CV     1
 ASSI { 2081}
   (( segid "    " and resid 136  and name HB  ))
   (( segid "    " and resid 135  and name HA  ))
      6.000     4.500     0.000 peak  2081 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.931 ppm2      3.826 CV     1
 ASSI { 2082}
   (( segid "    " and resid 136  and name HB  ))
   (  segid "    " and resid 136  and name HG2%)
      6.000     4.500     0.000 peak  2082 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.932 ppm2      1.022 CV     1
 OR { 2082}
   (( segid "    " and resid 136  and name HB  ))
   (  segid "    " and resid 136  and name HG1%)
 ASSI { 2083}
   (( segid "    " and resid 136  and name HB  ))
   (  segid "    " and resid 135  and name HD2%)
      6.000     4.500     0.000 peak  2083 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.921 ppm2      0.097 CV     1
 ASSI { 2091}
   (( segid "    " and resid 41   and name HB2 ))
   (( segid "    " and resid 41   and name HD1 ))
      6.000     4.500     0.000 peak  2091 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.675 ppm2      3.197 CV     1
 OR { 2091}
   (( segid "    " and resid 41   and name HB1 ))
   (( segid "    " and resid 41   and name HD1 ))
 ASSI { 2094}
   (( segid "    " and resid 41   and name HB2 ))
   (( segid "    " and resid 41   and name HG1 ))
      6.000     4.500     0.000 peak  2094 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.668 ppm2      1.136 CV     1
 OR { 2094}
   (( segid "    " and resid 41   and name HB1 ))
   (( segid "    " and resid 41   and name HG1 ))
 ASSI { 2104}
   (( segid "    " and resid 145  and name HG1 ))
   (( segid "    " and resid 145  and name HA  ))
      6.000     4.500     0.000 peak  2104 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.472 ppm2      4.230 CV     1
 OR { 2104}
   (( segid "    " and resid 145  and name HG2 ))
   (( segid "    " and resid 145  and name HA  ))
 ASSI { 2105}
   (( segid "    " and resid 145  and name HG1 ))
   (( segid "    " and resid 146  and name HA  ))
      6.000     4.500     0.000 peak  2105 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.472 ppm2      3.641 CV     1
 OR { 2105}
   (( segid "    " and resid 145  and name HG2 ))
   (( segid "    " and resid 146  and name HA  ))
 ASSI { 2106}
   (( segid "    " and resid 145  and name HG1 ))
   (( segid "    " and resid 148  and name HB2 ))
      6.000     4.500     0.000 peak  2106 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.479 ppm2      3.254 CV     1
 OR { 2106}
   (( segid "    " and resid 145  and name HG2 ))
   (( segid "    " and resid 148  and name HB2 ))
 ASSI { 2107}
   (( segid "    " and resid 145  and name HG1 ))
   (( segid "    " and resid 146  and name HB  ))
      6.000     4.500     0.000 peak  2107 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.473 ppm2      1.792 CV     1
 ASSI { 2108}
   (( segid "    " and resid 145  and name HG2 ))
   (( segid "    " and resid 144  and name HG2 ))
      6.000     4.500     0.000 peak  2108 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.475 ppm2      1.590 CV     1
 OR { 2108}
   (( segid "    " and resid 145  and name HG1 ))
   (( segid "    " and resid 144  and name HG2 ))
 ASSI { 2109}
   (( segid "    " and resid 145  and name HG1 ))
   (  segid "    " and resid 149  and name HG2%)
      6.000     4.500     0.000 peak  2109 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.470 ppm2      1.264 CV     1
 OR { 2109}
   (( segid "    " and resid 145  and name HG2 ))
   (  segid "    " and resid 149  and name HG2%)
 ASSI { 2110}
   (( segid "    " and resid 145  and name HG1 ))
   (( segid "    " and resid 146  and name HG11))
      6.000     4.500     0.000 peak  2110 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.477 ppm2      0.967 CV     1
 ASSI { 2111}
   (( segid "    " and resid 145  and name HG2 ))
   (( segid "    " and resid 141  and name HG1 ))
      6.000     4.500     0.000 peak  2111 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.469 ppm2      2.087 CV     1
 OR { 2111}
   (( segid "    " and resid 145  and name HG1 ))
   (( segid "    " and resid 141  and name HG1 ))
 ASSI { 2117}
   (( segid "    " and resid 50   and name HG1 ))
   (( segid "    " and resid 48   and name HA  ))
      6.000     4.500     0.000 peak  2117 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.307 ppm2      4.245 CV     1
 ASSI { 2118}
   (( segid "    " and resid 50   and name HG2 ))
   (( segid "    " and resid 51   and name HD1 ))
      6.000     4.500     0.000 peak  2118 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.308 ppm2      3.543 CV     1
 OR { 2118}
   (( segid "    " and resid 50   and name HG1 ))
   (( segid "    " and resid 51   and name HD1 ))
 ASSI { 2119}
   (( segid "    " and resid 50   and name HG2 ))
   (( segid "    " and resid 91   and name HB1 ))
      6.000     4.500     0.000 peak  2119 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.304 ppm2      1.827 CV     1
 OR { 2119}
   (( segid "    " and resid 50   and name HG1 ))
   (( segid "    " and resid 91   and name HB1 ))
 ASSI { 2125}
   (( segid "    " and resid 142  and name HB2 ))
   (( segid "    " and resid 145  and name HN  ))
      6.000     4.500     0.000 peak  2125 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.264 ppm2      6.734 CV     1
 ASSI { 2126}
   (( segid "    " and resid 142  and name HB2 ))
   (( segid "    " and resid 142  and name HG1 ))
      6.000     4.500     0.000 peak  2126 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.269 ppm2      2.655 CV     1
 ASSI { 2127}
   (( segid "    " and resid 142  and name HB2 ))
   (( segid "    " and resid 142  and name HN  ))
      6.000     4.500     0.000 peak  2127 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.257 ppm2      9.266 CV     1
 ASSI { 2128}
   (( segid "    " and resid 142  and name HB2 ))
   (( segid "    " and resid 145  and name HA  ))
      6.000     4.500     0.000 peak  2128 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.254 ppm2      4.231 CV     1
 ASSI { 2129}
   (( segid "    " and resid 142  and name HB2 ))
   (  segid "    " and resid 136  and name HG2%)
      6.000     4.500     0.000 peak  2129 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.254 ppm2      1.023 CV     1
 OR { 2129}
   (( segid "    " and resid 142  and name HB2 ))
   (  segid "    " and resid 136  and name HG1%)
 ASSI { 2133}
   (( segid "    " and resid 142  and name HB1 ))
   (( segid "    " and resid 142  and name HN  ))
      6.000     4.500     0.000 peak  2133 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.077 ppm2      9.267 CV     1
 ASSI { 2147}
   (( segid "    " and resid 99   and name HG2 ))
   (( segid "    " and resid 99   and name HG1 ))
      6.000     4.500     0.000 peak  2147 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.650 ppm2      2.172 CV     1
 ASSI { 2148}
   (( segid "    " and resid 99   and name HG2 ))
   (  segid "    " and resid 6    and name HB% )
      6.000     4.500     0.000 peak  2148 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.645 ppm2      1.761 CV     1
 ASSI { 2153}
   (( segid "    " and resid 83   and name HB  ))
   (( segid "    " and resid 84   and name HN  ))
      6.000     4.500     0.000 peak  2153 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.057 ppm2      8.695 CV     1
 ASSI { 2154}
   (( segid "    " and resid 83   and name HB  ))
   (( segid "    " and resid 84   and name HG2 ))
      6.000     4.500     0.000 peak  2154 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.057 ppm2      1.198 CV     1
 ASSI { 2155}
   (( segid "    " and resid 83   and name HB  ))
   (  segid "    " and resid 83   and name HG1%)
      6.000     4.500     0.000 peak  2155 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.049 ppm2      0.965 CV     1
 OR { 2155}
   (( segid "    " and resid 83   and name HB  ))
   (  segid "    " and resid 83   and name HG2%)
 ASSI { 2156}
   (( segid "    " and resid 157  and name HB2 ))
   (( segid "    " and resid 157  and name HE2 ))
      6.000     4.500     0.000 peak  2156 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.970 ppm2      2.966 CV     1
 OR { 2156}
   (( segid "    " and resid 157  and name HB2 ))
   (( segid "    " and resid 157  and name HE1 ))
 ASSI { 2159}
   (( segid "    " and resid 85   and name HB2 ))
   (( segid "    " and resid 85   and name HG2 ))
      6.000     4.500     0.000 peak  2159 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.794 ppm2      1.372 CV     1
 ASSI { 2161}
   (( segid "    " and resid 157  and name HB1 ))
   (( segid "    " and resid 157  and name HE2 ))
      6.000     4.500     0.000 peak  2161 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.782 ppm2      2.949 CV     1
 OR { 2161}
   (( segid "    " and resid 157  and name HB1 ))
   (( segid "    " and resid 157  and name HE1 ))
 ASSI { 2162}
   (( segid "    " and resid 85   and name HB1 ))
   (( segid "    " and resid 85   and name HA  ))
      6.000     4.500     0.000 peak  2162 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.642 ppm2      4.362 CV     1
 ASSI { 2163}
   (( segid "    " and resid 85   and name HB1 ))
   (( segid "    " and resid 85   and name HG2 ))
      6.000     4.500     0.000 peak  2163 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.643 ppm2      1.370 CV     1
 ASSI { 2166}
   (( segid "    " and resid 142  and name HG2 ))
   (( segid "    " and resid 142  and name HB1 ))
      6.000     4.500     0.000 peak  2166 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.802 ppm2      2.082 CV     1
 ASSI { 2169}
   (( segid "    " and resid 105  and name HB  ))
   (  segid "    " and resid 105  and name HG1%)
      6.000     4.500     0.000 peak  2169 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.999 ppm2      1.016 CV     1
 OR { 2169}
   (( segid "    " and resid 105  and name HB  ))
   (  segid "    " and resid 105  and name HG2%)
 ASSI { 2172}
   (( segid "    " and resid 157  and name HB1 ))
   (( segid "    " and resid 157  and name HG1 ))
      6.000     4.500     0.000 peak  2172 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.764 ppm2      1.169 CV     1
 ASSI { 2178}
   (( segid "    " and resid 142  and name HG2 ))
   (  segid "    " and resid 136  and name HG2%)
      6.000     4.500     0.000 peak  2178 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.799 ppm2      1.026 CV     1
 OR { 2178}
   (( segid "    " and resid 142  and name HG2 ))
   (  segid "    " and resid 136  and name HG1%)
 ASSI { 2180}
   (( segid "    " and resid 142  and name HG1 ))
   (  segid "    " and resid 136  and name HG1%)
      6.000     4.500     0.000 peak  2180 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.654 ppm2      1.030 CV     1
 OR { 2180}
   (( segid "    " and resid 142  and name HG1 ))
   (  segid "    " and resid 136  and name HG2%)
 ASSI { 2183}
   (( segid "    " and resid 29   and name HB2 ))
   (( segid "    " and resid 30   and name HA  ))
      6.000     4.500     0.000 peak  2183 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.382 ppm2      3.901 CV     1
 ASSI { 2184}
   (( segid "    " and resid 29   and name HB2 ))
   (( segid "    " and resid 30   and name HN  ))
      6.000     4.500     0.000 peak  2184 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.375 ppm2      8.887 CV     1
 ASSI { 2186}
   (( segid "    " and resid 29   and name HB2 ))
   (( segid "    " and resid 29   and name HD2 ))
      6.000     4.500     0.000 peak  2186 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.371 ppm2      3.641 CV     1
 ASSI { 2187}
   (( segid "    " and resid 29   and name HB2 ))
   (( segid "    " and resid 29   and name HB1 ))
      6.000     4.500     0.000 peak  2187 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.374 ppm2      1.881 CV     1
 ASSI { 2189}
   (( segid "    " and resid 29   and name HB2 ))
   (  segid "    " and resid 64   and name HD2%)
      6.000     4.500     0.000 peak  2189 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.374 ppm2      0.734 CV     1
 OR { 2189}
   (( segid "    " and resid 29   and name HB2 ))
   (  segid "    " and resid 64   and name HD1%)
 ASSI { 2194}
   (( segid "    " and resid 91   and name HB2 ))
   (( segid "    " and resid 11   and name HG  ))
      6.000     4.500     0.000 peak  2194 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.279 ppm2      0.867 CV     1
 ASSI { 2202}
   (( segid "    " and resid 29   and name HB1 ))
   (( segid "    " and resid 29   and name HD1 ))
      6.000     4.500     0.000 peak  2202 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.874 ppm2      2.734 CV     1
 ASSI { 2206}
   (( segid "    " and resid 29   and name HB1 ))
   (( segid "    " and resid 29   and name HD2 ))
      6.000     4.500     0.000 peak  2206 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.870 ppm2      3.620 CV     1
 ASSI { 2209}
   (( segid "    " and resid 110  and name HB1 ))
   (( segid "    " and resid 110  and name HD1 ))
      6.000     4.500     0.000 peak  2209 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.631 ppm2      3.231 CV     1
 OR { 2209}
   (( segid "    " and resid 110  and name HB1 ))
   (( segid "    " and resid 110  and name HD2 ))
 ASSI { 2217}
   (( segid "    " and resid 47   and name HB2 ))
   (( segid "    " and resid 48   and name HN  ))
      6.000     4.500     0.000 peak  2217 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.312 ppm2      8.502 CV     1
 ASSI { 2218}
   (( segid "    " and resid 47   and name HB2 ))
   (( segid "    " and resid 47   and name HD2 ))
      6.000     4.500     0.000 peak  2218 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.306 ppm2      3.667 CV     1
 OR { 2218}
   (( segid "    " and resid 47   and name HB2 ))
   (( segid "    " and resid 47   and name HD1 ))
 ASSI { 2224}
   (( segid "    " and resid 44   and name HB1 ))
   (( segid "    " and resid 44   and name HD2 ))
      6.000     4.500     0.000 peak  2224 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.165 ppm2      3.956 CV     1
 OR { 2224}
   (( segid "    " and resid 44   and name HB2 ))
   (( segid "    " and resid 44   and name HD2 ))
 ASSI { 2230}
   (( segid "    " and resid 91   and name HB1 ))
   (( segid "    " and resid 91   and name HB2 ))
      6.000     4.500     0.000 peak  2230 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.865 ppm2      2.266 CV     1
 ASSI { 2231}
   (( segid "    " and resid 91   and name HB1 ))
   (( segid "    " and resid 11   and name HG  ))
      6.000     4.500     0.000 peak  2231 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.867 ppm2      0.882 CV     1
 ASSI { 2235}
   (( segid "    " and resid 110  and name HB1 ))
   (  segid "    " and resid 70   and name HD2%)
      6.000     4.500     0.000 peak  2235 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.638 ppm2      0.467 CV     1
 ASSI { 2239}
   (( segid "    " and resid 154  and name HB1 ))
   (( segid "    " and resid 154  and name HN  ))
      6.000     4.500     0.000 peak  2239 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.366 ppm2      8.388 CV     1
 OR { 2239}
   (( segid "    " and resid 154  and name HB2 ))
   (( segid "    " and resid 154  and name HN  ))
 ASSI { 2241}
   (( segid "    " and resid 154  and name HB2 ))
   (( segid "    " and resid 126  and name HB1 ))
      6.000     4.500     0.000 peak  2241 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.368 ppm2      2.970 CV     1
 OR { 2241}
   (( segid "    " and resid 154  and name HB1 ))
   (( segid "    " and resid 126  and name HB1 ))
 ASSI { 2242}
   (( segid "    " and resid 154  and name HB2 ))
   (( segid "    " and resid 154  and name HG1 ))
      6.000     4.500     0.000 peak  2242 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.368 ppm2      1.021 CV     1
 OR { 2242}
   (( segid "    " and resid 154  and name HB1 ))
   (( segid "    " and resid 154  and name HG1 ))
 ASSI { 2243}
   (( segid "    " and resid 154  and name HB1 ))
   (( segid "    " and resid 154  and name HG2 ))
      6.000     4.500     0.000 peak  2243 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.364 ppm2      0.714 CV     1
 OR { 2243}
   (( segid "    " and resid 154  and name HB2 ))
   (( segid "    " and resid 154  and name HG2 ))
 ASSI { 2244}
   (( segid "    " and resid 110  and name HB2 ))
   (( segid "    " and resid 111  and name HN  ))
      6.000     4.500     0.000 peak  2244 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.360 ppm2      7.602 CV     1
 ASSI { 2245}
   (( segid "    " and resid 110  and name HB2 ))
   (( segid "    " and resid 110  and name HD1 ))
      6.000     4.500     0.000 peak  2245 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.358 ppm2      3.232 CV     1
 OR { 2245}
   (( segid "    " and resid 110  and name HB2 ))
   (( segid "    " and resid 110  and name HD2 ))
 ASSI { 2247}
   (( segid "    " and resid 110  and name HB2 ))
   (  segid "    " and resid 70   and name HD2%)
      6.000     4.500     0.000 peak  2247 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.359 ppm2      0.457 CV     1
 ASSI { 2250}
   (( segid "    " and resid 72   and name HB2 ))
   (( segid "    " and resid 72   and name HB1 ))
      6.000     4.500     0.000 peak  2250 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.423 ppm2      2.939 CV     1
 ASSI { 2252}
   (( segid "    " and resid 72   and name HB2 ))
   (( segid "    " and resid 72   and name HD2 ))
      6.000     4.500     0.000 peak  2252 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.416 ppm2      7.221 CV     1
 ASSI { 2254}
   (( segid "    " and resid 72   and name HB2 ))
   (  segid "    " and resid 69   and name HD1%)
      6.000     4.500     0.000 peak  2254 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.419 ppm2      0.930 CV     1
 ASSI { 2255}
   (( segid "    " and resid 72   and name HB2 ))
   (  segid "    " and resid 28   and name HD1%)
      6.000     4.500     0.000 peak  2255 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.413 ppm2      0.774 CV     1
 ASSI { 2256}
   (( segid "    " and resid 72   and name HB2 ))
   (  segid "    " and resid 28   and name HG2%)
      6.000     4.500     0.000 peak  2256 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.416 ppm2      0.629 CV     1
 ASSI { 2257}
   (( segid "    " and resid 72   and name HB1 ))
   (( segid "    " and resid 73   and name HN  ))
      6.000     4.500     0.000 peak  2257 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.945 ppm2      9.272 CV     1
 ASSI { 2260}
   (( segid "    " and resid 72   and name HB1 ))
   (  segid "    " and resid 28   and name HD1%)
      6.000     4.500     0.000 peak  2260 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.947 ppm2      0.773 CV     1
 ASSI { 2261}
   (( segid "    " and resid 72   and name HB1 ))
   (  segid "    " and resid 28   and name HG2%)
      6.000     4.500     0.000 peak  2261 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.939 ppm2      0.602 CV     1
 ASSI { 2264}
   (( segid "    " and resid 138  and name HB2 ))
   (( segid "    " and resid 138  and name HD2 ))
      6.000     4.500     0.000 peak  2264 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.387 ppm2      4.024 CV     1
 OR { 2264}
   (( segid "    " and resid 138  and name HB2 ))
   (( segid "    " and resid 138  and name HD1 ))
 ASSI { 2271}
   (( segid "    " and resid 23   and name HB2 ))
   (( segid "    " and resid 23   and name HG1 ))
      6.000     4.500     0.000 peak  2271 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.936 ppm2      1.513 CV     1
 OR { 2271}
   (( segid "    " and resid 23   and name HB1 ))
   (( segid "    " and resid 23   and name HG1 ))
 ASSI { 2282}
   (( segid "    " and resid 119  and name HB1 ))
   (( segid "    " and resid 119  and name HN  ))
      6.000     4.500     0.000 peak  2282 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.482 ppm2      8.068 CV     1
 ASSI { 2287}
   (( segid "    " and resid 115  and name HB2 ))
   (( segid "    " and resid 118  and name HB2 ))
      6.000     4.500     0.000 peak  2287 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.699 ppm2      1.944 CV     1
 ASSI { 2289}
   (( segid "    " and resid 115  and name HB2 ))
   (( segid "    " and resid 115  and name HB1 ))
      6.000     4.500     0.000 peak  2289 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.684 ppm2      2.989 CV     1
 ASSI { 2294}
   (( segid "    " and resid 115  and name HB1 ))
   (( segid "    " and resid 118  and name HG1 ))
      6.000     4.500     0.000 peak  2294 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.992 ppm2      2.147 CV     1
 ASSI { 2295}
   (( segid "    " and resid 115  and name HB1 ))
   (( segid "    " and resid 118  and name HB2 ))
      6.000     4.500     0.000 peak  2295 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.996 ppm2      1.951 CV     1
 ASSI { 2299}
   (( segid "    " and resid 138  and name HB2 ))
   (  segid "    " and resid 105  and name HG2%)
      6.000     4.500     0.000 peak  2299 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.388 ppm2      1.015 CV     1
 ASSI { 2300}
   (( segid "    " and resid 23   and name HB1 ))
   (( segid "    " and resid 23   and name HD1 ))
      6.000     4.500     0.000 peak  2300 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.921 ppm2      1.687 CV     1
 OR { 2300}
   (( segid "    " and resid 23   and name HB2 ))
   (( segid "    " and resid 23   and name HD2 ))
 OR { 2300}
   (( segid "    " and resid 23   and name HB1 ))
   (( segid "    " and resid 23   and name HD2 ))
 OR { 2300}
   (( segid "    " and resid 23   and name HB2 ))
   (( segid "    " and resid 23   and name HD1 ))
 ASSI { 2307}
   (( segid "    " and resid 32   and name HB2 ))
   (( segid "    " and resid 32   and name HD2 ))
      6.000     4.500     0.000 peak  2307 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.331 ppm2      6.963 CV     1
 ASSI { 2310}
   (( segid "    " and resid 32   and name HB2 ))
   (( segid "    " and resid 32   and name HB1 ))
      6.000     4.500     0.000 peak  2310 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.319 ppm2      3.111 CV     1
 ASSI { 2315}
   (( segid "    " and resid 32   and name HB1 ))
   (( segid "    " and resid 33   and name HB  ))
      6.000     4.500     0.000 peak  2315 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.110 ppm2      1.765 CV     1
 ASSI { 2317}
   (( segid "    " and resid 32   and name HB1 ))
   (( segid "    " and resid 32   and name HD2 ))
      6.000     4.500     0.000 peak  2317 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.105 ppm2      6.971 CV     1
 ASSI { 2320}
   (( segid "    " and resid 2    and name HB  ))
   (( segid "    " and resid 2    and name HA  ))
      6.000     4.500     0.000 peak  2320 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.756 ppm2      4.214 CV     1
 ASSI { 2321}
   (( segid "    " and resid 2    and name HB  ))
   (  segid "    " and resid 2    and name HG2%)
      6.000     4.500     0.000 peak  2321 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.748 ppm2      0.759 CV     1
 ASSI { 2322}
   (( segid "    " and resid 2    and name HB  ))
   (  segid "    " and resid 2    and name HG1%)
      6.000     4.500     0.000 peak  2322 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.749 ppm2      0.125 CV     1
 ASSI { 2332}
   (( segid "    " and resid 43   and name HB2 ))
   (( segid "    " and resid 43   and name HB1 ))
      6.000     4.500     0.000 peak  2332 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.489 ppm2      1.999 CV     1
 ASSI { 2333}
   (( segid "    " and resid 104  and name HB1 ))
   (( segid "    " and resid 104  and name HG2 ))
      6.000     4.500     0.000 peak  2333 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.384 ppm2      2.500 CV     1
 ASSI { 2338}
   (( segid "    " and resid 104  and name HB1 ))
   (( segid "    " and resid 104  and name HA  ))
      6.000     4.500     0.000 peak  2338 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.371 ppm2      4.229 CV     1
 ASSI { 2339}
   (( segid "    " and resid 104  and name HB1 ))
   (  segid "    " and resid 106  and name HD1%)
      6.000     4.500     0.000 peak  2339 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.374 ppm2      0.619 CV     1
 ASSI { 2345}
   (( segid "    " and resid 104  and name HB2 ))
   (( segid "    " and resid 106  and name HG11))
      6.000     4.500     0.000 peak  2345 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.176 ppm2      1.020 CV     1
 OR { 2345}
   (( segid "    " and resid 104  and name HB2 ))
   (( segid "    " and resid 106  and name HG12))
 ASSI { 2349}
   (( segid "    " and resid 104  and name HB2 ))
   (  segid "    " and resid 106  and name HD1%)
      6.000     4.500     0.000 peak  2349 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.167 ppm2      0.615 CV     1
 ASSI { 2350}
   (( segid "    " and resid 104  and name HB2 ))
   (( segid "    " and resid 104  and name HG2 ))
      6.000     4.500     0.000 peak  2350 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.154 ppm2      2.519 CV     1
 ASSI { 2351}
   (( segid "    " and resid 104  and name HB2 ))
   (( segid "    " and resid 104  and name HB1 ))
      6.000     4.500     0.000 peak  2351 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.152 ppm2      2.368 CV     1
 ASSI { 2352}
   (( segid "    " and resid 104  and name HB2 ))
   (( segid "    " and resid 106  and name HB  ))
      6.000     4.500     0.000 peak  2352 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.153 ppm2      1.401 CV     1
 ASSI { 2356}
   (( segid "    " and resid 43   and name HB1 ))
   (( segid "    " and resid 43   and name HA  ))
      6.000     4.500     0.000 peak  2356 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.996 ppm2      5.104 CV     1
 ASSI { 2357}
   (( segid "    " and resid 43   and name HB1 ))
   (( segid "    " and resid 44   and name HD1 ))
      6.000     4.500     0.000 peak  2357 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.992 ppm2      3.738 CV     1
 ASSI { 2362}
   (( segid "    " and resid 133  and name HB1 ))
   (( segid "    " and resid 134  and name HN  ))
      6.000     4.500     0.000 peak  2362 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.602 ppm2      8.255 CV     1
 ASSI { 2364}
   (( segid "    " and resid 18   and name HB  ))
   (( segid "    " and resid 15   and name HA  ))
      6.000     4.500     0.000 peak  2364 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.592 ppm2      3.453 CV     1
 ASSI { 2365}
   (( segid "    " and resid 18   and name HB  ))
   (  segid "    " and resid 54   and name HD1%)
      6.000     4.500     0.000 peak  2365 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.594 ppm2      0.166 CV     1
 ASSI { 2370}
   (( segid "    " and resid 121  and name HB2 ))
   (( segid "    " and resid 121  and name HB1 ))
      6.000     4.500     0.000 peak  2370 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.967 ppm2     -0.373 CV     1
 ASSI { 2374}
   (( segid "    " and resid 77   and name HB2 ))
   (( segid "    " and resid 76   and name HB  ))
      6.000     4.500     0.000 peak  2374 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.607 ppm2      1.906 CV     1
 ASSI { 2377}
   (( segid "    " and resid 77   and name HB2 ))
   (( segid "    " and resid 77   and name HB1 ))
      6.000     4.500     0.000 peak  2377 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.592 ppm2      1.863 CV     1
 ASSI { 2383}
   (( segid "    " and resid 144  and name HB2 ))
   (( segid "    " and resid 144  and name HA  ))
      6.000     4.500     0.000 peak  2383 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.125 ppm2      3.516 CV     1
 ASSI { 2384}
   (( segid "    " and resid 144  and name HB2 ))
   (( segid "    " and resid 143  and name HG  ))
      6.000     4.500     0.000 peak  2384 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.121 ppm2      0.942 CV     1
 ASSI { 2386}
   (( segid "    " and resid 144  and name HB2 ))
   (( segid "    " and resid 144  and name HG1 ))
      6.000     4.500     0.000 peak  2386 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.117 ppm2      1.606 CV     1
 OR { 2386}
   (( segid "    " and resid 144  and name HB2 ))
   (( segid "    " and resid 144  and name HG2 ))
 ASSI { 2389}
   (( segid "    " and resid 127  and name HB1 ))
   (( segid "    " and resid 127  and name HA  ))
      6.000     4.500     0.000 peak  2389 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.941 ppm2      4.423 CV     1
 ASSI { 2399}
   (( segid "    " and resid 77   and name HB1 ))
   (  segid "    " and resid 76   and name HG2%)
      6.000     4.500     0.000 peak  2399 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.874 ppm2      0.842 CV     1
 ASSI { 2400}
   (( segid "    " and resid 77   and name HB1 ))
   (( segid "    " and resid 77   and name HN  ))
      6.000     4.500     0.000 peak  2400 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.859 ppm2      8.309 CV     1
 ASSI { 2410}
   (( segid "    " and resid 144  and name HB1 ))
   (( segid "    " and resid 144  and name HB2 ))
      6.000     4.500     0.000 peak  2410 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.797 ppm2      2.125 CV     1
 ASSI { 2413}
   (( segid "    " and resid 144  and name HB1 ))
   (( segid "    " and resid 145  and name HN  ))
      6.000     4.500     0.000 peak  2413 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.791 ppm2      6.742 CV     1
 ASSI { 2414}
   (( segid "    " and resid 144  and name HB1 ))
   (( segid "    " and resid 144  and name HD1 ))
      6.000     4.500     0.000 peak  2414 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.791 ppm2      3.255 CV     1
 OR { 2414}
   (( segid "    " and resid 144  and name HB1 ))
   (( segid "    " and resid 144  and name HD2 ))
 ASSI { 2415}
   (( segid "    " and resid 141  and name HB1 ))
   (( segid "    " and resid 143  and name HN  ))
      6.000     4.500     0.000 peak  2415 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.764 ppm2      8.393 CV     1
 ASSI { 2420}
   (( segid "    " and resid 84   and name HB2 ))
   (( segid "    " and resid 84   and name HA  ))
      6.000     4.500     0.000 peak  2420 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.600 ppm2      4.320 CV     1
 ASSI { 2421}
   (( segid "    " and resid 84   and name HB2 ))
   (( segid "    " and resid 84   and name HD2 ))
      6.000     4.500     0.000 peak  2421 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.602 ppm2      2.532 CV     1
 OR { 2421}
   (( segid "    " and resid 84   and name HB2 ))
   (( segid "    " and resid 84   and name HD1 ))
 ASSI { 2422}
   (( segid "    " and resid 18   and name HB  ))
   (  segid "    " and resid 54   and name HD2%)
      6.000     4.500     0.000 peak  2422 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.597 ppm2     -0.517 CV     1
 ASSI { 2424}
   (( segid "    " and resid 18   and name HB  ))
   (( segid "    " and resid 18   and name HN  ))
      6.000     4.500     0.000 peak  2424 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.589 ppm2      8.520 CV     1
 ASSI { 2427}
   (( segid "    " and resid 84   and name HB2 ))
   (( segid "    " and resid 84   and name HB1 ))
      6.000     4.500     0.000 peak  2427 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.597 ppm2      1.275 CV     1
 ASSI { 2430}
   (( segid "    " and resid 18   and name HB  ))
   (  segid "    " and resid 18   and name HG2%)
      6.000     4.500     0.000 peak  2430 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.587 ppm2      0.646 CV     1
 ASSI { 2431}
   (( segid "    " and resid 18   and name HB  ))
   (  segid "    " and resid 18   and name HG1%)
      6.000     4.500     0.000 peak  2431 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.588 ppm2      0.295 CV     1
 ASSI { 2435}
   (( segid "    " and resid 148  and name HB2 ))
   (( segid "    " and resid 149  and name HN  ))
      6.000     4.500     0.000 peak  2435 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.256 ppm2      8.290 CV     1
 ASSI { 2436}
   (( segid "    " and resid 148  and name HB2 ))
   (( segid "    " and resid 148  and name HN  ))
      6.000     4.500     0.000 peak  2436 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.254 ppm2      7.563 CV     1
 ASSI { 2437}
   (( segid "    " and resid 148  and name HB2 ))
   (( segid "    " and resid 145  and name HA  ))
      6.000     4.500     0.000 peak  2437 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.253 ppm2      4.228 CV     1
 ASSI { 2438}
   (( segid "    " and resid 148  and name HB2 ))
   (( segid "    " and resid 147  and name HN  ))
      6.000     4.500     0.000 peak  2438 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.250 ppm2      7.415 CV     1
 ASSI { 2439}
   (( segid "    " and resid 148  and name HB2 ))
   (( segid "    " and resid 148  and name HD2 ))
      6.000     4.500     0.000 peak  2439 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.249 ppm2      6.980 CV     1
 ASSI { 2440}
   (( segid "    " and resid 148  and name HB2 ))
   (( segid "    " and resid 148  and name HA  ))
      6.000     4.500     0.000 peak  2440 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.245 ppm2      4.444 CV     1
 ASSI { 2443}
   (( segid "    " and resid 148  and name HB1 ))
   (( segid "    " and resid 147  and name HN  ))
      6.000     4.500     0.000 peak  2443 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.179 ppm2      7.415 CV     1
 ASSI { 2444}
   (( segid "    " and resid 148  and name HB1 ))
   (  segid "    " and resid 149  and name HG2%)
      6.000     4.500     0.000 peak  2444 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.177 ppm2      1.255 CV     1
 ASSI { 2445}
   (( segid "    " and resid 148  and name HB1 ))
   (( segid "    " and resid 149  and name HN  ))
      6.000     4.500     0.000 peak  2445 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.169 ppm2      8.287 CV     1
 ASSI { 2446}
   (( segid "    " and resid 148  and name HB1 ))
   (( segid "    " and resid 148  and name HN  ))
      6.000     4.500     0.000 peak  2446 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.172 ppm2      7.563 CV     1
 ASSI { 2447}
   (( segid "    " and resid 148  and name HB1 ))
   (( segid "    " and resid 148  and name HD2 ))
      6.000     4.500     0.000 peak  2447 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.172 ppm2      6.987 CV     1
 ASSI { 2449}
   (( segid "    " and resid 148  and name HB1 ))
   (( segid "    " and resid 145  and name HA  ))
      6.000     4.500     0.000 peak  2449 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.165 ppm2      4.226 CV     1
 ASSI { 2450}
   (( segid "    " and resid 148  and name HB1 ))
   (( segid "    " and resid 144  and name HA  ))
      6.000     4.500     0.000 peak  2450 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.171 ppm2      3.514 CV     1
 ASSI { 2455}
   (( segid "    " and resid 127  and name HB2 ))
   (( segid "    " and resid 127  and name HD2 ))
      6.000     4.500     0.000 peak  2455 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.618 ppm2      3.234 CV     1
 ASSI { 2456}
   (( segid "    " and resid 127  and name HB2 ))
   (( segid "    " and resid 127  and name HG1 ))
      6.000     4.500     0.000 peak  2456 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.624 ppm2      1.440 CV     1
 ASSI { 2457}
   (( segid "    " and resid 127  and name HB2 ))
   (  segid "    " and resid 57   and name HB% )
      6.000     4.500     0.000 peak  2457 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.624 ppm2      1.352 CV     1
 ASSI { 2459}
   (( segid "    " and resid 50   and name HB1 ))
   (( segid "    " and resid 91   and name HB1 ))
      6.000     4.500     0.000 peak  2459 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.146 ppm2      1.822 CV     1
 OR { 2459}
   (( segid "    " and resid 50   and name HB2 ))
   (( segid "    " and resid 91   and name HB1 ))
 ASSI { 2461}
   (( segid "    " and resid 127  and name HB1 ))
   (  segid "    " and resid 40   and name HD% )
      6.000     4.500     0.000 peak  2461 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.930 ppm2      7.146 CV     1
 ASSI { 2467}
   (( segid "    " and resid 141  and name HB2 ))
   (  segid "    " and resid 146  and name HD1%)
      6.000     4.500     0.000 peak  2467 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.852 ppm2      0.475 CV     1
 ASSI { 2476}
   (( segid "    " and resid 141  and name HB1 ))
   (( segid "    " and resid 141  and name HG2 ))
      6.000     4.500     0.000 peak  2476 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.759 ppm2      2.270 CV     1
 ASSI { 2477}
   (( segid "    " and resid 141  and name HB1 ))
   (( segid "    " and resid 141  and name HG1 ))
      6.000     4.500     0.000 peak  2477 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.761 ppm2      2.059 CV     1
 ASSI { 2478}
   (( segid "    " and resid 141  and name HB1 ))
   (  segid "    " and resid 146  and name HD1%)
      6.000     4.500     0.000 peak  2478 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.756 ppm2      0.468 CV     1
 ASSI { 2484}
   (( segid "    " and resid 66   and name HB2 ))
   (( segid "    " and resid 66   and name HB1 ))
      6.000     4.500     0.000 peak  2484 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.260 ppm2      0.506 CV     1
 ASSI { 2487}
   (( segid "    " and resid 66   and name HB1 ))
   (( segid "    " and resid 66   and name HG1 ))
      6.000     4.500     0.000 peak  2487 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.520 ppm2      1.716 CV     1
 ASSI { 2496}
   (( segid "    " and resid 118  and name HG2 ))
   (( segid "    " and resid 118  and name HB2 ))
      6.000     4.500     0.000 peak  2496 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.291 ppm2      1.960 CV     1
 ASSI { 2504}
   (( segid "    " and resid 148  and name HB1 ))
   (( segid "    " and resid 144  and name HB2 ))
      6.000     4.500     0.000 peak  2504 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.185 ppm2      2.129 CV     1
 ASSI { 2509}
   (( segid "    " and resid 158  and name HB2 ))
   (( segid "    " and resid 158  and name HB1 ))
      6.000     4.500     0.000 peak  2509 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.126 ppm2      2.803 CV     1
 ASSI { 2511}
   (( segid "    " and resid 158  and name HB2 ))
   (( segid "    " and resid 157  and name HB1 ))
      6.000     4.500     0.000 peak  2511 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.101 ppm2      1.745 CV     1
 ASSI { 2520}
   (( segid "    " and resid 68   and name HB2 ))
   (( segid "    " and resid 71   and name HD21))
      6.000     4.500     0.000 peak  2520 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.154 ppm2      7.169 CV     1
 ASSI { 2521}
   (( segid "    " and resid 50   and name HB1 ))
   (( segid "    " and resid 51   and name HD2 ))
      6.000     4.500     0.000 peak  2521 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.155 ppm2      3.786 CV     1
 OR { 2521}
   (( segid "    " and resid 50   and name HB2 ))
   (( segid "    " and resid 51   and name HD2 ))
 ASSI { 2522}
   (( segid "    " and resid 118  and name HG1 ))
   (( segid "    " and resid 118  and name HG2 ))
      6.000     4.500     0.000 peak  2522 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.151 ppm2      3.304 CV     1
 ASSI { 2523}
   (( segid "    " and resid 118  and name HG1 ))
   (( segid "    " and resid 119  and name HG1 ))
      6.000     4.500     0.000 peak  2523 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.154 ppm2      1.241 CV     1
 ASSI { 2528}
   (( segid "    " and resid 66   and name HB2 ))
   (( segid "    " and resid 66   and name HG1 ))
      6.000     4.500     0.000 peak  2528 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.263 ppm2      1.720 CV     1
 ASSI { 2529}
   (( segid "    " and resid 66   and name HB2 ))
   (( segid "    " and resid 66   and name HG2 ))
      6.000     4.500     0.000 peak  2529 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.259 ppm2      0.786 CV     1
 ASSI { 2531}
   (( segid "    " and resid 66   and name HB2 ))
   (  segid "    " and resid 111  and name HD2%)
      6.000     4.500     0.000 peak  2531 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.253 ppm2      0.312 CV     1
 ASSI { 2536}
   (( segid "    " and resid 66   and name HB1 ))
   (( segid "    " and resid 66   and name HG2 ))
      6.000     4.500     0.000 peak  2536 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.518 ppm2      0.768 CV     1
 ASSI { 2540}
   (( segid "    " and resid 130  and name HB2 ))
   (( segid "    " and resid 130  and name HA  ))
      6.000     4.500     0.000 peak  2540 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.642 ppm2      3.874 CV     1
 ASSI { 2543}
   (( segid "    " and resid 130  and name HB2 ))
   (( segid "    " and resid 130  and name HB1 ))
      6.000     4.500     0.000 peak  2543 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.635 ppm2      2.270 CV     1
 OR { 2543}
   (( segid "    " and resid 130  and name HB2 ))
   (( segid "    " and resid 130  and name HG1 ))
 ASSI { 2548}
   (( segid "    " and resid 130  and name HB1 ))
   (( segid "    " and resid 130  and name HB2 ))
      6.000     4.500     0.000 peak  2548 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.289 ppm2      2.625 CV     1
 ASSI { 2549}
   (( segid "    " and resid 130  and name HB1 ))
   (( segid "    " and resid 130  and name HG2 ))
      6.000     4.500     0.000 peak  2549 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.274 ppm2      2.549 CV     1
 ASSI { 2551}
   (( segid "    " and resid 68   and name HB1 ))
   (( segid "    " and resid 68   and name HN  ))
      6.000     4.500     0.000 peak  2551 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.264 ppm2      6.874 CV     1
 ASSI { 2552}
   (( segid "    " and resid 130  and name HB1 ))
   (( segid "    " and resid 130  and name HA  ))
      6.000     4.500     0.000 peak  2552 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.274 ppm2      3.884 CV     1
 ASSI { 2553}
   (( segid "    " and resid 68   and name HB1 ))
   (( segid "    " and resid 68   and name HB2 ))
      6.000     4.500     0.000 peak  2553 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.265 ppm2      2.150 CV     1
 ASSI { 2555}
   (( segid "    " and resid 68   and name HB1 ))
   (  segid "    " and resid 64   and name HD2%)
      6.000     4.500     0.000 peak  2555 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.269 ppm2      0.735 CV     1
 OR { 2555}
   (( segid "    " and resid 68   and name HB1 ))
   (  segid "    " and resid 64   and name HD1%)
 ASSI { 2556}
   (( segid "    " and resid 68   and name HB1 ))
   (( segid "    " and resid 69   and name HN  ))
      6.000     4.500     0.000 peak  2556 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.258 ppm2      8.156 CV     1
 ASSI { 2557}
   (( segid "    " and resid 68   and name HB2 ))
   (( segid "    " and resid 65   and name HN  ))
      6.000     4.500     0.000 peak  2557 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.159 ppm2      8.372 CV     1
 ASSI { 2560}
   (( segid "    " and resid 68   and name HB2 ))
   (  segid "    " and resid 65   and name HB% )
      6.000     4.500     0.000 peak  2560 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.163 ppm2      1.443 CV     1
 ASSI { 2561}
   (( segid "    " and resid 68   and name HB2 ))
   (  segid "    " and resid 64   and name HD2%)
      6.000     4.500     0.000 peak  2561 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.162 ppm2      0.732 CV     1
 OR { 2561}
   (( segid "    " and resid 68   and name HB2 ))
   (  segid "    " and resid 64   and name HD1%)
 ASSI { 2564}
   (( segid "    " and resid 61   and name HB2 ))
   (( segid "    " and resid 60   and name HG  ))
      6.000     4.500     0.000 peak  2564 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.721 ppm2      1.261 CV     1
 ASSI { 2565}
   (( segid "    " and resid 61   and name HB2 ))
   (( segid "    " and resid 34   and name HG  ))
      6.000     4.500     0.000 peak  2565 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.724 ppm2      0.803 CV     1
 ASSI { 2572}
   (( segid "    " and resid 150  and name HB2 ))
   (( segid "    " and resid 150  and name HN  ))
      6.000     4.500     0.000 peak  2572 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.251 ppm2      7.847 CV     1
 ASSI { 2575}
   (( segid "    " and resid 150  and name HB2 ))
   (( segid "    " and resid 150  and name HD1 ))
      6.000     4.500     0.000 peak  2575 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.256 ppm2      2.950 CV     1
 ASSI { 2576}
   (( segid "    " and resid 150  and name HB2 ))
   (( segid "    " and resid 150  and name HB1 ))
      6.000     4.500     0.000 peak  2576 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.256 ppm2      0.901 CV     1
 ASSI { 2577}
   (( segid "    " and resid 150  and name HB1 ))
   (( segid "    " and resid 150  and name HD1 ))
      6.000     4.500     0.000 peak  2577 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.923 ppm2      2.955 CV     1
 ASSI { 2585}
   (( segid "    " and resid 75   and name HB2 ))
   (( segid "    " and resid 75   and name HD2 ))
      6.000     4.500     0.000 peak  2585 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.283 ppm2      3.316 CV     1
 ASSI { 2590}
   (( segid "    " and resid 109  and name HB1 ))
   (( segid "    " and resid 111  and name HN  ))
      6.000     4.500     0.000 peak  2590 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.031 ppm2      7.607 CV     1
 OR { 2590}
   (( segid "    " and resid 109  and name HB2 ))
   (( segid "    " and resid 111  and name HN  ))
 ASSI { 2592}
   (( segid "    " and resid 87   and name HB2 ))
   (( segid "    " and resid 93   and name HN  ))
      6.000     4.500     0.000 peak  2592 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.016 ppm2      8.869 CV     1
 ASSI { 2596}
   (( segid "    " and resid 75   and name HB1 ))
   (( segid "    " and resid 75   and name HD1 ))
      6.000     4.500     0.000 peak  2596 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.884 ppm2      3.154 CV     1
 ASSI { 2598}
   (( segid "    " and resid 75   and name HB1 ))
   (( segid "    " and resid 76   and name HN  ))
      6.000     4.500     0.000 peak  2598 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.876 ppm2      8.071 CV     1
 ASSI { 2600}
   (( segid "    " and resid 75   and name HB1 ))
   (( segid "    " and resid 75   and name HD2 ))
      6.000     4.500     0.000 peak  2600 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.875 ppm2      3.323 CV     1
 ASSI { 2606}
   (( segid "    " and resid 33   and name HG12))
   (  segid "    " and resid 33   and name HG2%)
      6.000     4.500     0.000 peak  2606 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.566 ppm2      0.767 CV     1
 OR { 2606}
   (( segid "    " and resid 33   and name HG11))
   (  segid "    " and resid 33   and name HG2%)
 ASSI { 2617}
   (( segid "    " and resid 145  and name HB2 ))
   (( segid "    " and resid 144  and name HG2 ))
      6.000     4.500     0.000 peak  2617 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.330 ppm2      1.584 CV     1
 ASSI { 2618}
   (( segid "    " and resid 145  and name HB2 ))
   (( segid "    " and resid 146  and name HN  ))
      6.000     4.500     0.000 peak  2618 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.318 ppm2      7.871 CV     1
 ASSI { 2619}
   (( segid "    " and resid 145  and name HB2 ))
   (( segid "    " and resid 145  and name HN  ))
      6.000     4.500     0.000 peak  2619 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.319 ppm2      6.732 CV     1
 ASSI { 2620}
   (( segid "    " and resid 145  and name HB2 ))
   (( segid "    " and resid 146  and name HG11))
      6.000     4.500     0.000 peak  2620 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.317 ppm2      0.967 CV     1
 ASSI { 2621}
   (( segid "    " and resid 145  and name HB2 ))
   (( segid "    " and resid 142  and name HN  ))
      6.000     4.500     0.000 peak  2621 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.301 ppm2      9.281 CV     1
 ASSI { 2626}
   (( segid "    " and resid 48   and name HB1 ))
   (( segid "    " and resid 48   and name HB2 ))
      6.000     4.500     0.000 peak  2626 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.229 ppm2      2.010 CV     1
 ASSI { 2634}
   (( segid "    " and resid 28   and name HG11))
   (( segid "    " and resid 25   and name HA  ))
      6.000     4.500     0.000 peak  2634 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.072 ppm2      3.859 CV     1
 OR { 2634}
   (( segid "    " and resid 28   and name HG12))
   (( segid "    " and resid 25   and name HA  ))
 ASSI { 2638}
   (( segid "    " and resid 28   and name HG12))
   (( segid "    " and resid 29   and name HD2 ))
      6.000     4.500     0.000 peak  2638 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.048 ppm2      3.652 CV     1
 OR { 2638}
   (( segid "    " and resid 28   and name HG11))
   (( segid "    " and resid 29   and name HD2 ))
 ASSI { 2641}
   (( segid "    " and resid 87   and name HB2 ))
   (( segid "    " and resid 85   and name HN  ))
      6.000     4.500     0.000 peak  2641 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.011 ppm2      8.351 CV     1
 ASSI { 2644}
   (( segid "    " and resid 48   and name HB2 ))
   (( segid "    " and resid 48   and name HG1 ))
      6.000     4.500     0.000 peak  2644 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.002 ppm2      2.400 CV     1
 OR { 2644}
   (( segid "    " and resid 48   and name HB2 ))
   (( segid "    " and resid 48   and name HG2 ))
 ASSI { 2651}
   (( segid "    " and resid 67   and name HB1 ))
   (( segid "    " and resid 68   and name HB1 ))
      6.000     4.500     0.000 peak  2651 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.856 ppm2      2.268 CV     1
 OR { 2651}
   (( segid "    " and resid 67   and name HB2 ))
   (( segid "    " and resid 68   and name HB1 ))
 ASSI { 2652}
   (( segid "    " and resid 67   and name HB1 ))
   (( segid "    " and resid 68   and name HA  ))
      6.000     4.500     0.000 peak  2652 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.844 ppm2      4.289 CV     1
 OR { 2652}
   (( segid "    " and resid 67   and name HB2 ))
   (( segid "    " and resid 68   and name HA  ))
 ASSI { 2659}
   (( segid "    " and resid 23   and name HD2 ))
   (( segid "    " and resid 23   and name HG1 ))
      6.000     4.500     0.000 peak  2659 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.678 ppm2      1.515 CV     1
 OR { 2659}
   (( segid "    " and resid 23   and name HD1 ))
   (( segid "    " and resid 23   and name HG1 ))
 ASSI { 2660}
   (( segid "    " and resid 23   and name HD1 ))
   (( segid "    " and resid 23   and name HG2 ))
      6.000     4.500     0.000 peak  2660 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.678 ppm2      1.422 CV     1
 OR { 2660}
   (( segid "    " and resid 23   and name HD2 ))
   (( segid "    " and resid 23   and name HG2 ))
 ASSI { 2667}
   (( segid "    " and resid 33   and name HG12))
   (( segid "    " and resid 59   and name HN  ))
      6.000     4.500     0.000 peak  2667 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.552 ppm2      8.593 CV     1
 OR { 2667}
   (( segid "    " and resid 33   and name HG11))
   (( segid "    " and resid 59   and name HN  ))
 ASSI { 2669}
   (( segid "    " and resid 33   and name HG11))
   (( segid "    " and resid 31   and name HB2 ))
      6.000     4.500     0.000 peak  2669 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.555 ppm2      3.605 CV     1
 OR { 2669}
   (( segid "    " and resid 33   and name HG12))
   (( segid "    " and resid 31   and name HB1 ))
 OR { 2669}
   (( segid "    " and resid 33   and name HG11))
   (( segid "    " and resid 31   and name HB1 ))
 OR { 2669}
   (( segid "    " and resid 33   and name HG12))
   (( segid "    " and resid 31   and name HB2 ))
 ASSI { 2677}
   (( segid "    " and resid 154  and name HD1 ))
   (( segid "    " and resid 126  and name HB1 ))
      6.000     4.500     0.000 peak  2677 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.365 ppm2      2.976 CV     1
 OR { 2677}
   (( segid "    " and resid 154  and name HD2 ))
   (( segid "    " and resid 126  and name HB1 ))
 ASSI { 2678}
   (( segid "    " and resid 154  and name HD2 ))
   (( segid "    " and resid 154  and name HN  ))
      6.000     4.500     0.000 peak  2678 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.359 ppm2      8.382 CV     1
 OR { 2678}
   (( segid "    " and resid 154  and name HD1 ))
   (( segid "    " and resid 154  and name HN  ))
 ASSI { 2679}
   (( segid "    " and resid 154  and name HD1 ))
   (( segid "    " and resid 155  and name HN  ))
      6.000     4.500     0.000 peak  2679 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.358 ppm2      7.461 CV     1
 OR { 2679}
   (( segid "    " and resid 154  and name HD2 ))
   (( segid "    " and resid 155  and name HN  ))
 ASSI { 2681}
   (( segid "    " and resid 154  and name HD1 ))
   (( segid "    " and resid 154  and name HE2 ))
      6.000     4.500     0.000 peak  2681 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.359 ppm2      2.825 CV     1
 OR { 2681}
   (( segid "    " and resid 154  and name HD2 ))
   (( segid "    " and resid 154  and name HE1 ))
 OR { 2681}
   (( segid "    " and resid 154  and name HD1 ))
   (( segid "    " and resid 154  and name HE1 ))
 OR { 2681}
   (( segid "    " and resid 154  and name HD2 ))
   (( segid "    " and resid 154  and name HE2 ))
 ASSI { 2682}
   (( segid "    " and resid 154  and name HD1 ))
   (( segid "    " and resid 154  and name HG1 ))
      6.000     4.500     0.000 peak  2682 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.360 ppm2      1.015 CV     1
 OR { 2682}
   (( segid "    " and resid 154  and name HD2 ))
   (( segid "    " and resid 154  and name HG1 ))
 ASSI { 2683}
   (( segid "    " and resid 154  and name HD1 ))
   (( segid "    " and resid 154  and name HG2 ))
      6.000     4.500     0.000 peak  2683 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.359 ppm2      0.709 CV     1
 OR { 2683}
   (( segid "    " and resid 154  and name HD2 ))
   (( segid "    " and resid 154  and name HG2 ))
 ASSI { 2695}
   (( segid "    " and resid 145  and name HB2 ))
   (( segid "    " and resid 145  and name HA  ))
      6.000     4.500     0.000 peak  2695 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.317 ppm2      4.222 CV     1
 ASSI { 2697}
   (( segid "    " and resid 145  and name HB2 ))
   (( segid "    " and resid 145  and name HG2 ))
      6.000     4.500     0.000 peak  2697 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.311 ppm2      2.469 CV     1
 OR { 2697}
   (( segid "    " and resid 145  and name HB2 ))
   (( segid "    " and resid 145  and name HG1 ))
 ASSI { 2698}
   (( segid "    " and resid 134  and name HB2 ))
   (( segid "    " and resid 134  and name HG1 ))
      6.000     4.500     0.000 peak  2698 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.311 ppm2      2.100 CV     1
 ASSI { 2699}
   (( segid "    " and resid 145  and name HB1 ))
   (( segid "    " and resid 142  and name HN  ))
      6.000     4.500     0.000 peak  2699 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.244 ppm2      9.272 CV     1
 ASSI { 2700}
   (( segid "    " and resid 145  and name HB1 ))
   (( segid "    " and resid 146  and name HN  ))
      6.000     4.500     0.000 peak  2700 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.248 ppm2      7.870 CV     1
 ASSI { 2701}
   (( segid "    " and resid 145  and name HB1 ))
   (( segid "    " and resid 145  and name HN  ))
      6.000     4.500     0.000 peak  2701 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.245 ppm2      6.736 CV     1
 ASSI { 2702}
   (( segid "    " and resid 79   and name HB2 ))
   (( segid "    " and resid 76   and name HA  ))
      6.000     4.500     0.000 peak  2702 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.201 ppm2      3.768 CV     1
 ASSI { 2705}
   (( segid "    " and resid 79   and name HB2 ))
   (( segid "    " and resid 79   and name HA  ))
      6.000     4.500     0.000 peak  2705 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.182 ppm2      4.162 CV     1
 ASSI { 2706}
   (( segid "    " and resid 79   and name HB2 ))
   (( segid "    " and resid 79   and name HG2 ))
      6.000     4.500     0.000 peak  2706 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.178 ppm2      2.603 CV     1
 ASSI { 2711}
   (( segid "    " and resid 79   and name HB1 ))
   (( segid "    " and resid 79   and name HG1 ))
      6.000     4.500     0.000 peak  2711 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.108 ppm2      2.452 CV     1
 ASSI { 2717}
   (( segid "    " and resid 67   and name HB1 ))
   (( segid "    " and resid 67   and name HG2 ))
      6.000     4.500     0.000 peak  2717 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.835 ppm2      2.133 CV     1
 OR { 2717}
   (( segid "    " and resid 67   and name HB2 ))
   (( segid "    " and resid 67   and name HG2 ))
 ASSI { 2718}
   (( segid "    " and resid 67   and name HB1 ))
   (  segid "    " and resid 70   and name HD2%)
      6.000     4.500     0.000 peak  2718 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.835 ppm2      0.486 CV     1
 OR { 2718}
   (( segid "    " and resid 67   and name HB2 ))
   (  segid "    " and resid 70   and name HD2%)
 ASSI { 2719}
   (( segid "    " and resid 67   and name HB2 ))
   (  segid "    " and resid 111  and name HD2%)
      6.000     4.500     0.000 peak  2719 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.833 ppm2      0.319 CV     1
 OR { 2719}
   (( segid "    " and resid 67   and name HB1 ))
   (  segid "    " and resid 111  and name HD2%)
 ASSI { 2720}
   (( segid "    " and resid 67   and name HB1 ))
   (( segid "    " and resid 69   and name HN  ))
      6.000     4.500     0.000 peak  2720 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.824 ppm2      8.174 CV     1
 OR { 2720}
   (( segid "    " and resid 67   and name HB2 ))
   (( segid "    " and resid 69   and name HN  ))
 ASSI { 2723}
   (( segid "    " and resid 5    and name HG12))
   (( segid "    " and resid 5    and name HG11))
      6.000     4.500     0.000 peak  2723 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.530 ppm2      1.093 CV     1
 ASSI { 2727}
   (( segid "    " and resid 54   and name HG  ))
   (  segid "    " and resid 54   and name HD1%)
      6.000     4.500     0.000 peak  2727 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.111 ppm2      0.175 CV     1
 ASSI { 2728}
   (( segid "    " and resid 54   and name HG  ))
   (  segid "    " and resid 54   and name HD2%)
      6.000     4.500     0.000 peak  2728 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.115 ppm2     -0.528 CV     1
 ASSI { 2732}
   (( segid "    " and resid 134  and name HB2 ))
   (( segid "    " and resid 134  and name HB1 ))
      6.000     4.500     0.000 peak  2732 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.302 ppm2      1.735 CV     1
 ASSI { 2733}
   (( segid "    " and resid 134  and name HB2 ))
   (( segid "    " and resid 134  and name HN  ))
      6.000     4.500     0.000 peak  2733 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.300 ppm2      8.284 CV     1
 ASSI { 2734}
   (( segid "    " and resid 134  and name HB2 ))
   (( segid "    " and resid 134  and name HA  ))
      6.000     4.500     0.000 peak  2734 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.292 ppm2      4.541 CV     1
 ASSI { 2737}
   (( segid "    " and resid 98   and name HG12))
   (( segid "    " and resid 98   and name HG11))
      6.000     4.500     0.000 peak  2737 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.862 ppm2      0.939 CV     1
 ASSI { 2738}
   (( segid "    " and resid 98   and name HG12))
   (  segid "    " and resid 98   and name HG2%)
      6.000     4.500     0.000 peak  2738 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.863 ppm2      0.790 CV     1
 ASSI { 2741}
   (( segid "    " and resid 134  and name HB1 ))
   (( segid "    " and resid 134  and name HB2 ))
      6.000     4.500     0.000 peak  2741 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.740 ppm2      2.301 CV     1
 OR { 2741}
   (( segid "    " and resid 134  and name HB1 ))
   (( segid "    " and resid 134  and name HG2 ))
 ASSI { 2744}
   (( segid "    " and resid 100  and name HG  ))
   (  segid "    " and resid 100  and name HD2%)
      6.000     4.500     0.000 peak  2744 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.602 ppm2      0.659 CV     1
 ASSI { 2746}
   (( segid "    " and resid 146  and name HG12))
   (  segid "    " and resid 146  and name HD1%)
      6.000     4.500     0.000 peak  2746 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.587 ppm2      0.477 CV     1
 ASSI { 2747}
   (( segid "    " and resid 5    and name HG11))
   (( segid "    " and resid 5    and name HB  ))
      6.000     4.500     0.000 peak  2747 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.083 ppm2      1.749 CV     1
 ASSI { 2752}
   (( segid "    " and resid 146  and name HG11))
   (( segid "    " and resid 146  and name HG12))
      6.000     4.500     0.000 peak  2752 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.975 ppm2      1.591 CV     1
 ASSI { 2753}
   (( segid "    " and resid 146  and name HG11))
   (  segid "    " and resid 146  and name HD1%)
      6.000     4.500     0.000 peak  2753 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.967 ppm2      0.475 CV     1
 ASSI { 2756}
   (( segid "    " and resid 29   and name HG2 ))
   (( segid "    " and resid 72   and name HB1 ))
      6.000     4.500     0.000 peak  2756 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.009 ppm2      2.978 CV     1
 OR { 2756}
   (( segid "    " and resid 29   and name HG1 ))
   (( segid "    " and resid 72   and name HB1 ))
 ASSI { 2770}
   (( segid "    " and resid 127  and name HG2 ))
   (  segid "    " and resid 40   and name HD% )
      6.000     4.500     0.000 peak  2770 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.020 ppm2      7.133 CV     1
 ASSI { 2771}
   (( segid "    " and resid 127  and name HG2 ))
   (( segid "    " and resid 128  and name HN  ))
      6.000     4.500     0.000 peak  2771 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.019 ppm2      6.497 CV     1
 ASSI { 2775}
   (( segid "    " and resid 127  and name HG2 ))
   (( segid "    " and resid 127  and name HG1 ))
      6.000     4.500     0.000 peak  2775 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.019 ppm2      1.441 CV     1
 ASSI { 2777}
   (( segid "    " and resid 29   and name HG2 ))
   (  segid "    " and resid 28   and name HG2%)
      6.000     4.500     0.000 peak  2777 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.994 ppm2      0.608 CV     1
 OR { 2777}
   (( segid "    " and resid 29   and name HG1 ))
   (  segid "    " and resid 28   and name HG2%)
 ASSI { 2790}
   (( segid "    " and resid 144  and name HG1 ))
   (( segid "    " and resid 144  and name HN  ))
      6.000     4.500     0.000 peak  2790 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.638 ppm2      9.590 CV     1
 ASSI { 2794}
   (( segid "    " and resid 144  and name HG1 ))
   (( segid "    " and resid 144  and name HA  ))
      6.000     4.500     0.000 peak  2794 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.614 ppm2      3.518 CV     1
 OR { 2794}
   (( segid "    " and resid 144  and name HG2 ))
   (( segid "    " and resid 144  and name HA  ))
 ASSI { 2795}
   (( segid "    " and resid 144  and name HG1 ))
   (( segid "    " and resid 144  and name HD2 ))
      6.000     4.500     0.000 peak  2795 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.618 ppm2      3.251 CV     1
 OR { 2795}
   (( segid "    " and resid 144  and name HG1 ))
   (( segid "    " and resid 144  and name HD1 ))
 OR { 2795}
   (( segid "    " and resid 144  and name HG2 ))
   (( segid "    " and resid 144  and name HD2 ))
 OR { 2795}
   (( segid "    " and resid 144  and name HG2 ))
   (( segid "    " and resid 144  and name HD1 ))
 ASSI { 2796}
   (( segid "    " and resid 144  and name HG2 ))
   (( segid "    " and resid 144  and name HA  ))
      6.000     4.500     0.000 peak  2796 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.595 ppm2      3.515 CV     1
 ASSI { 2811}
   (( segid "    " and resid 110  and name HG2 ))
   (( segid "    " and resid 110  and name HD1 ))
      6.000     4.500     0.000 peak  2811 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.462 ppm2      3.216 CV     1
 OR { 2811}
   (( segid "    " and resid 110  and name HG2 ))
   (( segid "    " and resid 110  and name HD2 ))
 ASSI { 2826}
   (( segid "    " and resid 74   and name HB1 ))
   (( segid "    " and resid 74   and name HA  ))
      6.000     4.500     0.000 peak  2826 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.175 ppm2      4.197 CV     1
 OR { 2826}
   (( segid "    " and resid 74   and name HB2 ))
   (( segid "    " and resid 74   and name HA  ))
 ASSI { 2829}
   (( segid "    " and resid 43   and name HG2 ))
   (( segid "    " and resid 45   and name HG  ))
      6.000     4.500     0.000 peak  2829 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.126 ppm2      1.532 CV     1
 ASSI { 2830}
   (( segid "    " and resid 43   and name HG2 ))
   (( segid "    " and resid 43   and name HD2 ))
      6.000     4.500     0.000 peak  2830 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.112 ppm2      3.833 CV     1
 OR { 2830}
   (( segid "    " and resid 43   and name HG2 ))
   (( segid "    " and resid 43   and name HD1 ))
 ASSI { 2831}
   (( segid "    " and resid 43   and name HG2 ))
   (( segid "    " and resid 43   and name HB2 ))
      6.000     4.500     0.000 peak  2831 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.113 ppm2      2.481 CV     1
 ASSI { 2833}
   (( segid "    " and resid 43   and name HG1 ))
   (( segid "    " and resid 43   and name HB2 ))
      6.000     4.500     0.000 peak  2833 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.049 ppm2      2.468 CV     1
 ASSI { 2840}
   (( segid "    " and resid 44   and name HG2 ))
   (( segid "    " and resid 50   and name HG1 ))
      6.000     4.500     0.000 peak  2840 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.022 ppm2      2.311 CV     1
 OR { 2840}
   (( segid "    " and resid 44   and name HG2 ))
   (( segid "    " and resid 50   and name HG2 ))
 ASSI { 2842}
   (( segid "    " and resid 44   and name HG2 ))
   (( segid "    " and resid 50   and name HN  ))
      6.000     4.500     0.000 peak  2842 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.009 ppm2      7.615 CV     1
 ASSI { 2843}
   (( segid "    " and resid 30   and name HB1 ))
   (( segid "    " and resid 30   and name HN  ))
      6.000     4.500     0.000 peak  2843 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.980 ppm2      8.889 CV     1
 ASSI { 2861}
   (( segid "    " and resid 133  and name HG2 ))
   (( segid "    " and resid 133  and name HD2 ))
      6.000     4.500     0.000 peak  2861 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.794 ppm2      3.406 CV     1
 OR { 2861}
   (( segid "    " and resid 133  and name HG1 ))
   (( segid "    " and resid 133  and name HD2 ))
 ASSI { 2869}
   (( segid "    " and resid 110  and name HG1 ))
   (( segid "    " and resid 110  and name HG2 ))
      6.000     4.500     0.000 peak  2869 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.776 ppm2      1.480 CV     1
 ASSI { 2875}
   (( segid "    " and resid 144  and name HG1 ))
   (( segid "    " and resid 147  and name HN  ))
      6.000     4.500     0.000 peak  2875 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.626 ppm2      7.434 CV     1
 OR { 2875}
   (( segid "    " and resid 144  and name HG2 ))
   (( segid "    " and resid 147  and name HN  ))
 ASSI { 2880}
   (( segid "    " and resid 150  and name HG2 ))
   (( segid "    " and resid 151  and name HN  ))
      6.000     4.500     0.000 peak  2880 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.510 ppm2      7.556 CV     1
 ASSI { 2883}
   (( segid "    " and resid 150  and name HG2 ))
   (( segid "    " and resid 150  and name HD1 ))
      6.000     4.500     0.000 peak  2883 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.493 ppm2      2.937 CV     1
 ASSI { 2894}
   (( segid "    " and resid 110  and name HG2 ))
   (  segid "    " and resid 70   and name HD2%)
      6.000     4.500     0.000 peak  2894 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.466 ppm2      0.478 CV     1
 ASSI { 2899}
   (  segid "    " and resid 60   and name HD1%)
   (( segid "    " and resid 32   and name HN  ))
      6.000     4.500     0.000 peak  2899 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.715 ppm2      8.973 CV     1
 ASSI { 2900}
   (  segid "    " and resid 60   and name HD1%)
   (( segid "    " and resid 61   and name HN  ))
      6.000     4.500     0.000 peak  2900 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.716 ppm2      8.809 CV     1
 ASSI { 2901}
   (  segid "    " and resid 60   and name HD1%)
   (( segid "    " and resid 62   and name HB  ))
      6.000     4.500     0.000 peak  2901 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.712 ppm2      3.802 CV     1
 ASSI { 2904}
   (  segid "    " and resid 60   and name HD1%)
   (( segid "    " and resid 60   and name HG  ))
      6.000     4.500     0.000 peak  2904 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.711 ppm2      1.268 CV     1
 ASSI { 2912}
   (  segid "    " and resid 100  and name HD2%)
   (  segid "    " and resid 100  and name HD1%)
      6.000     4.500     0.000 peak  2912 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.665 ppm2      1.045 CV     1
 ASSI { 2913}
   (  segid "    " and resid 100  and name HD2%)
   (  segid "    " and resid 135  and name HD2%)
      6.000     4.500     0.000 peak  2913 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.660 ppm2      0.084 CV     1
 ASSI { 2918}
   (( segid "    " and resid 126  and name HB2 ))
   (( segid "    " and resid 126  and name HD1 ))
      6.000     4.500     0.000 peak  2918 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.027 ppm2      6.774 CV     1
 ASSI { 2922}
   (( segid "    " and resid 126  and name HB1 ))
   (( segid "    " and resid 126  and name HD1 ))
      6.000     4.500     0.000 peak  2922 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.934 ppm2      6.772 CV     1
 ASSI { 2923}
   (( segid "    " and resid 126  and name HB1 ))
   (( segid "    " and resid 127  and name HD1 ))
      6.000     4.500     0.000 peak  2923 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.934 ppm2      3.158 CV     1
 ASSI { 2925}
   (( segid "    " and resid 30   and name HB2 ))
   (( segid "    " and resid 64   and name HG  ))
      6.000     4.500     0.000 peak  2925 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.393 ppm2      0.746 CV     1
 ASSI { 2926}
   (( segid "    " and resid 30   and name HB2 ))
   (( segid "    " and resid 30   and name HN  ))
      6.000     4.500     0.000 peak  2926 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.385 ppm2      8.897 CV     1
 ASSI { 2927}
   (( segid "    " and resid 30   and name HB2 ))
   (( segid "    " and resid 63   and name HB2 ))
      6.000     4.500     0.000 peak  2927 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.389 ppm2      4.044 CV     1
 OR { 2927}
   (( segid "    " and resid 30   and name HB2 ))
   (( segid "    " and resid 63   and name HB1 ))
 ASSI { 2928}
   (( segid "    " and resid 30   and name HB2 ))
   (( segid "    " and resid 30   and name HA  ))
      6.000     4.500     0.000 peak  2928 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.385 ppm2      3.900 CV     1
 ASSI { 2929}
   (( segid "    " and resid 30   and name HB2 ))
   (( segid "    " and resid 30   and name HG1 ))
      6.000     4.500     0.000 peak  2929 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.387 ppm2      2.115 CV     1
 ASSI { 2930}
   (( segid "    " and resid 30   and name HB2 ))
   (( segid "    " and resid 30   and name HB1 ))
      6.000     4.500     0.000 peak  2930 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.389 ppm2      1.999 CV     1
 ASSI { 2931}
   (( segid "    " and resid 25   and name HG  ))
   (  segid "    " and resid 25   and name HD2%)
      6.000     4.500     0.000 peak  2931 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.938 ppm2      0.827 CV     1
 OR { 2931}
   (( segid "    " and resid 25   and name HG  ))
   (  segid "    " and resid 25   and name HD1%)
 ASSI { 2936}
   (( segid "    " and resid 78   and name HG  ))
   (( segid "    " and resid 78   and name HA  ))
      6.000     4.500     0.000 peak  2936 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.721 ppm2      4.069 CV     1
 ASSI { 2941}
   (( segid "    " and resid 96   and name HG  ))
   (  segid "    " and resid 96   and name HD2%)
      6.000     4.500     0.000 peak  2941 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.605 ppm2      0.909 CV     1
 OR { 2941}
   (( segid "    " and resid 96   and name HG  ))
   (  segid "    " and resid 96   and name HD1%)
 ASSI { 2948}
   (( segid "    " and resid 150  and name HG2 ))
   (( segid "    " and resid 150  and name HN  ))
      6.000     4.500     0.000 peak  2948 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.494 ppm2      7.846 CV     1
 ASSI { 2949}
   (( segid "    " and resid 150  and name HG2 ))
   (( segid "    " and resid 150  and name HA  ))
      6.000     4.500     0.000 peak  2949 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.499 ppm2      4.030 CV     1
 ASSI { 2950}
   (( segid "    " and resid 150  and name HG2 ))
   (( segid "    " and resid 150  and name HD2 ))
      6.000     4.500     0.000 peak  2950 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.494 ppm2      3.106 CV     1
 ASSI { 2958}
   (( segid "    " and resid 150  and name HG1 ))
   (( segid "    " and resid 150  and name HA  ))
      6.000     4.500     0.000 peak  2958 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.431 ppm2      4.033 CV     1
 ASSI { 2959}
   (( segid "    " and resid 150  and name HG1 ))
   (( segid "    " and resid 150  and name HN  ))
      6.000     4.500     0.000 peak  2959 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.427 ppm2      7.842 CV     1
 ASSI { 2968}
   (( segid "    " and resid 60   and name HG  ))
   (( segid "    " and resid 60   and name HB2 ))
      6.000     4.500     0.000 peak  2968 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.276 ppm2      1.826 CV     1
 ASSI { 2973}
   (( segid "    " and resid 84   and name HG2 ))
   (( segid "    " and resid 84   and name HB2 ))
      6.000     4.500     0.000 peak  2973 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.204 ppm2      1.580 CV     1
 ASSI { 2975}
   (( segid "    " and resid 106  and name HG11))
   (( segid "    " and resid 106  and name HN  ))
      6.000     4.500     0.000 peak  2975 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.047 ppm2      9.396 CV     1
 OR { 2975}
   (( segid "    " and resid 106  and name HG12))
   (( segid "    " and resid 106  and name HN  ))
 ASSI { 2990}
   (  segid "    " and resid 64   and name HD1%)
   (( segid "    " and resid 72   and name HN  ))
      6.000     4.500     0.000 peak  2990 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.707 ppm2      7.745 CV     1
 ASSI { 2992}
   (  segid "    " and resid 64   and name HD2%)
   (( segid "    " and resid 64   and name HB1 ))
      6.000     4.500     0.000 peak  2992 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.702 ppm2      1.461 CV     1
 OR { 2992}
   (  segid "    " and resid 64   and name HD1%)
   (( segid "    " and resid 64   and name HB1 ))
 ASSI { 2993}
   (  segid "    " and resid 64   and name HD2%)
   (( segid "    " and resid 64   and name HN  ))
      6.000     4.500     0.000 peak  2993 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.697 ppm2      8.538 CV     1
 OR { 2993}
   (  segid "    " and resid 64   and name HD1%)
   (( segid "    " and resid 64   and name HN  ))
 ASSI { 2994}
   (  segid "    " and resid 64   and name HD2%)
   (( segid "    " and resid 65   and name HN  ))
      6.000     4.500     0.000 peak  2994 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.696 ppm2      8.363 CV     1
 OR { 2994}
   (  segid "    " and resid 64   and name HD1%)
   (( segid "    " and resid 65   and name HN  ))
 ASSI { 3000}
   (( segid "    " and resid 119  and name HG2 ))
   (( segid "    " and resid 119  and name HN  ))
      6.000     4.500     0.000 peak  3000 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.490 ppm2      8.072 CV     1
 ASSI { 3001}
   (( segid "    " and resid 119  and name HG2 ))
   (( segid "    " and resid 119  and name HA  ))
      6.000     4.500     0.000 peak  3001 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.470 ppm2      3.779 CV     1
 ASSI { 3007}
   (( segid "    " and resid 75   and name HG2 ))
   (( segid "    " and resid 75   and name HB2 ))
      6.000     4.500     0.000 peak  3007 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.649 ppm2      2.269 CV     1
 ASSI { 3009}
   (( segid "    " and resid 75   and name HG2 ))
   (( segid "    " and resid 75   and name HB1 ))
      6.000     4.500     0.000 peak  3009 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.634 ppm2      1.889 CV     1
 ASSI { 3011}
   (( segid "    " and resid 75   and name HG1 ))
   (( segid "    " and resid 75   and name HB2 ))
      6.000     4.500     0.000 peak  3011 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.555 ppm2      2.277 CV     1
 ASSI { 3019}
   (( segid "    " and resid 150  and name HG1 ))
   (( segid "    " and resid 150  and name HD2 ))
      6.000     4.500     0.000 peak  3019 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.425 ppm2      3.076 CV     1
 ASSI { 3026}
   (( segid "    " and resid 135  and name HG  ))
   (( segid "    " and resid 135  and name HN  ))
      6.000     4.500     0.000 peak  3026 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.196 ppm2      7.243 CV     1
 ASSI { 3037}
   (( segid "    " and resid 147  and name HG  ))
   (  segid "    " and resid 146  and name HD1%)
      6.000     4.500     0.000 peak  3037 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.870 ppm2      0.492 CV     1
 ASSI { 3047}
   (  segid "    " and resid 70   and name HD2%)
   (( segid "    " and resid 74   and name HG2 ))
      6.000     4.500     0.000 peak  3047 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.457 ppm2      2.925 CV     1
 ASSI { 3049}
   (  segid "    " and resid 70   and name HD2%)
   (( segid "    " and resid 111  and name HB2 ))
      6.000     4.500     0.000 peak  3049 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.458 ppm2      1.304 CV     1
 ASSI { 3050}
   (  segid "    " and resid 70   and name HD2%)
   (( segid "    " and resid 70   and name HB1 ))
      6.000     4.500     0.000 peak  3050 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.455 ppm2      1.012 CV     1
 ASSI { 3066}
   (( segid "    " and resid 114  and name HG2 ))
   (( segid "    " and resid 114  and name HB2 ))
      6.000     4.500     0.000 peak  3066 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.451 ppm2      2.837 CV     1
 ASSI { 3070}
   (( segid "    " and resid 114  and name HG1 ))
   (( segid "    " and resid 114  and name HB2 ))
      6.000     4.500     0.000 peak  3070 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.003 ppm2      2.836 CV     1
 ASSI { 3082}
   (( segid "    " and resid 75   and name HG1 ))
   (( segid "    " and resid 75   and name HA  ))
      6.000     4.500     0.000 peak  3082 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.561 ppm2      4.116 CV     1
 ASSI { 3084}
   (( segid "    " and resid 75   and name HG1 ))
   (( segid "    " and resid 75   and name HD2 ))
      6.000     4.500     0.000 peak  3084 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.542 ppm2      3.317 CV     1
 ASSI { 3089}
   (( segid "    " and resid 111  and name HG  ))
   (( segid "    " and resid 113  and name HB  ))
      6.000     4.500     0.000 peak  3089 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.040 ppm2      1.877 CV     1
 ASSI { 3091}
   (( segid "    " and resid 111  and name HG  ))
   (  segid "    " and resid 111  and name HD2%)
      6.000     4.500     0.000 peak  3091 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.016 ppm2      0.311 CV     1
 ASSI { 3092}
   (( segid "    " and resid 69   and name HG  ))
   (( segid "    " and resid 71   and name HN  ))
      6.000     4.500     0.000 peak  3092 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.003 ppm2      7.682 CV     1
 ASSI { 3094}
   (( segid "    " and resid 69   and name HG  ))
   (( segid "    " and resid 69   and name HB2 ))
      6.000     4.500     0.000 peak  3094 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.999 ppm2      2.192 CV     1
 ASSI { 3095}
   (( segid "    " and resid 69   and name HG  ))
   (( segid "    " and resid 69   and name HN  ))
      6.000     4.500     0.000 peak  3095 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.997 ppm2      8.151 CV     1
 ASSI { 3097}
   (( segid "    " and resid 69   and name HG  ))
   (( segid "    " and resid 66   and name HA  ))
      6.000     4.500     0.000 peak  3097 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.996 ppm2      3.351 CV     1
 ASSI { 3098}
   (  segid "    " and resid 96   and name HD2%)
   (( segid "    " and resid 97   and name HN  ))
      6.000     4.500     0.000 peak  3098 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.925 ppm2      8.825 CV     1
 ASSI { 3100}
   (( segid "    " and resid 147  and name HG  ))
   (( segid "    " and resid 146  and name HB  ))
      6.000     4.500     0.000 peak  3100 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.887 ppm2      1.803 CV     1
 ASSI { 3101}
   (( segid "    " and resid 147  and name HG  ))
   (  segid "    " and resid 147  and name HD2%)
      6.000     4.500     0.000 peak  3101 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.873 ppm2     -0.562 CV     1
 ASSI { 3110}
   (( segid "    " and resid 34   and name HG  ))
   (( segid "    " and resid 34   and name HN  ))
      6.000     4.500     0.000 peak  3110 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.794 ppm2      9.156 CV     1
 ASSI { 3112}
   (( segid "    " and resid 34   and name HG  ))
   (( segid "    " and resid 35   and name HN  ))
      6.000     4.500     0.000 peak  3112 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.793 ppm2      7.361 CV     1
 ASSI { 3113}
   (( segid "    " and resid 34   and name HG  ))
   (( segid "    " and resid 34   and name HA  ))
      6.000     4.500     0.000 peak  3113 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.791 ppm2      4.503 CV     1
 ASSI { 3114}
   (( segid "    " and resid 34   and name HG  ))
   (  segid "    " and resid 2    and name HG1%)
      6.000     4.500     0.000 peak  3114 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.793 ppm2      0.126 CV     1
 ASSI { 3119}
   (( segid "    " and resid 66   and name HG2 ))
   (  segid "    " and resid 101  and name HD% )
      6.000     4.500     0.000 peak  3119 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.767 ppm2      6.998 CV     1
 ASSI { 3121}
   (( segid "    " and resid 66   and name HG2 ))
   (( segid "    " and resid 66   and name HD1 ))
      6.000     4.500     0.000 peak  3121 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.766 ppm2      3.379 CV     1
 OR { 3121}
   (( segid "    " and resid 66   and name HG2 ))
   (( segid "    " and resid 66   and name HA  ))
 ASSI { 3124}
   (  segid "    " and resid 128  and name HD1%)
   (( segid "    " and resid 131  and name HG11))
      6.000     4.500     0.000 peak  3124 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.559 ppm2      1.499 CV     1
 ASSI { 3130}
   (( segid "    " and resid 157  and name HG2 ))
   (( segid "    " and resid 157  and name HG1 ))
      6.000     4.500     0.000 peak  3130 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.561 ppm2      1.169 CV     1
 ASSI { 3138}
   (  segid "    " and resid 22   and name HD2%)
   (( segid "    " and resid 19   and name HA  ))
      6.000     4.500     0.000 peak  3138 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.092 ppm2      4.554 CV     1
 ASSI { 3140}
   (  segid "    " and resid 22   and name HD2%)
   (  segid "    " and resid 18   and name HG1%)
      6.000     4.500     0.000 peak  3140 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.090 ppm2      0.296 CV     1
 ASSI { 3144}
   (  segid "    " and resid 22   and name HD2%)
   (( segid "    " and resid 22   and name HG  ))
      6.000     4.500     0.000 peak  3144 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.088 ppm2      1.851 CV     1
 ASSI { 3157}
   (  segid "    " and resid 128  and name HD1%)
   (  segid "    " and resid 4    and name HD% )
      6.000     4.500     0.000 peak  3157 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.560 ppm2      6.800 CV     1
 ASSI { 3159}
   (  segid "    " and resid 128  and name HD1%)
   (( segid "    " and resid 128  and name HA  ))
      6.000     4.500     0.000 peak  3159 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.559 ppm2      3.814 CV     1
 OR { 3159}
   (  segid "    " and resid 128  and name HD2%)
   (( segid "    " and resid 128  and name HA  ))
 ASSI { 3163}
   (  segid "    " and resid 128  and name HD1%)
   (( segid "    " and resid 128  and name HG  ))
      6.000     4.500     0.000 peak  3163 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.561 ppm2      0.276 CV     1
 OR { 3163}
   (  segid "    " and resid 128  and name HD2%)
   (( segid "    " and resid 128  and name HG  ))
 ASSI { 3164}
   (  segid "    " and resid 128  and name HD2%)
   (  segid "    " and resid 135  and name HD2%)
      6.000     4.500     0.000 peak  3164 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.559 ppm2      0.083 CV     1
 OR { 3164}
   (  segid "    " and resid 128  and name HD1%)
   (  segid "    " and resid 135  and name HD2%)
 ASSI { 3167}
   (  segid "    " and resid 54   and name HD2%)
   (  segid "    " and resid 39   and name HD% )
      6.000     4.500     0.000 peak  3167 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1     -0.519 ppm2      6.972 CV     1
 ASSI { 3170}
   (  segid "    " and resid 54   and name HD2%)
   (( segid "    " and resid 55   and name HB1 ))
      6.000     4.500     0.000 peak  3170 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1     -0.525 ppm2      3.162 CV     1
 ASSI { 3173}
   (  segid "    " and resid 54   and name HD2%)
   (  segid "    " and resid 56   and name HB% )
      6.000     4.500     0.000 peak  3173 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1     -0.522 ppm2      1.460 CV     1
 ASSI { 3178}
   (  segid "    " and resid 54   and name HD2%)
   (  segid "    " and resid 18   and name HG1%)
      6.000     4.500     0.000 peak  3178 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1     -0.522 ppm2      0.286 CV     1
 ASSI { 3179}
   (  segid "    " and resid 54   and name HD2%)
   (  segid "    " and resid 54   and name HD1%)
      6.000     4.500     0.000 peak  3179 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1     -0.520 ppm2      0.172 CV     1
 ASSI { 3180}
   (  segid "    " and resid 54   and name HD2%)
   (( segid "    " and resid 15   and name HA  ))
      6.000     4.500     0.000 peak  3180 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1     -0.528 ppm2      3.454 CV     1
 ASSI { 3186}
   (( segid "    " and resid 157  and name HG1 ))
   (( segid "    " and resid 157  and name HB2 ))
      6.000     4.500     0.000 peak  3186 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.184 ppm2      1.963 CV     1
 ASSI { 3194}
   (  segid "    " and resid 111  and name HD2%)
   (( segid "    " and resid 111  and name HA  ))
      6.000     4.500     0.000 peak  3194 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.284 ppm2      3.888 CV     1
 ASSI { 3199}
   (  segid "    " and resid 111  and name HD2%)
   (  segid "    " and resid 106  and name HG2%)
      6.000     4.500     0.000 peak  3199 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.286 ppm2      0.929 CV     1
 ASSI { 3201}
   (  segid "    " and resid 111  and name HD2%)
   (( segid "    " and resid 112  and name HN  ))
      6.000     4.500     0.000 peak  3201 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.280 ppm2      9.699 CV     1
 ASSI { 3212}
   (  segid "    " and resid 54   and name HD2%)
   (( segid "    " and resid 54   and name HN  ))
      6.000     4.500     0.000 peak  3212 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1     -0.517 ppm2      8.697 CV     1
 ASSI { 3214}
   (( segid "    " and resid 131  and name HG11))
   (  segid "    " and resid 135  and name HD1%)
      6.000     4.500     0.000 peak  3214 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.451 ppm2      0.367 CV     1
 ASSI { 3222}
   (  segid "    " and resid 60   and name HD2%)
   (( segid "    " and resid 31   and name HA  ))
      6.000     4.500     0.000 peak  3222 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.643 ppm2      5.912 CV     1
 ASSI { 3223}
   (  segid "    " and resid 60   and name HD2%)
   (( segid "    " and resid 25   and name HA  ))
      6.000     4.500     0.000 peak  3223 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.642 ppm2      3.869 CV     1
 ASSI { 3231}
   (  segid "    " and resid 135  and name HD1%)
   (  segid "    " and resid 4    and name HD% )
      6.000     4.500     0.000 peak  3231 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.377 ppm2      6.820 CV     1
 ASSI { 3233}
   (  segid "    " and resid 135  and name HD1%)
   (( segid "    " and resid 135  and name HA  ))
      6.000     4.500     0.000 peak  3233 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.373 ppm2      3.839 CV     1
 ASSI { 3235}
   (  segid "    " and resid 135  and name HD1%)
   (( segid "    " and resid 135  and name HG  ))
      6.000     4.500     0.000 peak  3235 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.376 ppm2      1.222 CV     1
 ASSI { 3236}
   (  segid "    " and resid 135  and name HD1%)
   (  segid "    " and resid 132  and name HB% )
      6.000     4.500     0.000 peak  3236 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.376 ppm2      0.984 CV     1
 ASSI { 3239}
   (  segid "    " and resid 135  and name HD1%)
   (  segid "    " and resid 135  and name HD2%)
      6.000     4.500     0.000 peak  3239 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.374 ppm2      0.095 CV     1
 ASSI { 3250}
   (( segid "    " and resid 23   and name HG2 ))
   (( segid "    " and resid 23   and name HB1 ))
      6.000     4.500     0.000 peak  3250 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.430 ppm2      1.930 CV     1
 OR { 3250}
   (( segid "    " and resid 23   and name HG2 ))
   (( segid "    " and resid 23   and name HB2 ))
 ASSI { 3251}
   (( segid "    " and resid 23   and name HG2 ))
   (( segid "    " and resid 23   and name HA  ))
      6.000     4.500     0.000 peak  3251 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.427 ppm2      3.965 CV     1
 ASSI { 3255}
   (( segid "    " and resid 154  and name HG1 ))
   (( segid "    " and resid 154  and name HB2 ))
      6.000     4.500     0.000 peak  3255 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.021 ppm2      1.361 CV     1
 OR { 3255}
   (( segid "    " and resid 154  and name HG1 ))
   (( segid "    " and resid 154  and name HD1 ))
 OR { 3255}
   (( segid "    " and resid 154  and name HG1 ))
   (( segid "    " and resid 154  and name HD2 ))
 OR { 3255}
   (( segid "    " and resid 154  and name HG1 ))
   (( segid "    " and resid 154  and name HB1 ))
 ASSI { 3256}
   (( segid "    " and resid 143  and name HG  ))
   (( segid "    " and resid 128  and name HB1 ))
      6.000     4.500     0.000 peak  3256 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.975 ppm2      1.224 CV     1
 ASSI { 3257}
   (( segid "    " and resid 143  and name HG  ))
   (  segid "    " and resid 129  and name HD% )
      6.000     4.500     0.000 peak  3257 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.950 ppm2      7.189 CV     1
 ASSI { 3258}
   (( segid "    " and resid 143  and name HG  ))
   (  segid "    " and resid 147  and name HD1%)
      6.000     4.500     0.000 peak  3258 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.946 ppm2     -0.498 CV     1
 ASSI { 3260}
   (( segid "    " and resid 143  and name HG  ))
   (( segid "    " and resid 125  and name HA  ))
      6.000     4.500     0.000 peak  3260 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.945 ppm2      3.830 CV     1
 ASSI { 3266}
   (( segid "    " and resid 154  and name HG2 ))
   (( segid "    " and resid 126  and name HB1 ))
      6.000     4.500     0.000 peak  3266 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.719 ppm2      2.979 CV     1
 ASSI { 3268}
   (  segid "    " and resid 60   and name HD2%)
   (( segid "    " and resid 69   and name HG  ))
      6.000     4.500     0.000 peak  3268 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.643 ppm2      0.980 CV     1
 ASSI { 3277}
   (( segid "    " and resid 23   and name HG1 ))
   (( segid "    " and resid 23   and name HN  ))
      6.000     4.500     0.000 peak  3277 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.522 ppm2      7.741 CV     1
 ASSI { 3285}
   (( segid "    " and resid 23   and name HG2 ))
   (( segid "    " and resid 24   and name HN  ))
      6.000     4.500     0.000 peak  3285 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.420 ppm2      7.895 CV     1
 ASSI { 3286}
   (( segid "    " and resid 23   and name HG2 ))
   (( segid "    " and resid 23   and name HN  ))
      6.000     4.500     0.000 peak  3286 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.423 ppm2      7.751 CV     1
 ASSI { 3288}
   (( segid "    " and resid 23   and name HG2 ))
   (( segid "    " and resid 23   and name HE1 ))
      6.000     4.500     0.000 peak  3288 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.420 ppm2      2.987 CV     1
 OR { 3288}
   (( segid "    " and resid 23   and name HG2 ))
   (( segid "    " and resid 23   and name HE2 ))
 ASSI { 3294}
   (( segid "    " and resid 85   and name HG1 ))
   (( segid "    " and resid 85   and name HA  ))
      6.000     4.500     0.000 peak  3294 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.323 ppm2      4.359 CV     1
 ASSI { 3295}
   (( segid "    " and resid 85   and name HG1 ))
   (( segid "    " and resid 85   and name HB2 ))
      6.000     4.500     0.000 peak  3295 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.314 ppm2      1.797 CV     1
 ASSI { 3296}
   (( segid "    " and resid 85   and name HG1 ))
   (( segid "    " and resid 85   and name HB1 ))
      6.000     4.500     0.000 peak  3296 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.317 ppm2      1.664 CV     1
 ASSI { 3304}
   (  segid "    " and resid 100  and name HD1%)
   (( segid "    " and resid 100  and name HN  ))
      6.000     4.500     0.000 peak  3304 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.054 ppm2      7.482 CV     1
 ASSI { 3308}
   (  segid "    " and resid 100  and name HD1%)
   (( segid "    " and resid 114  and name HA  ))
      6.000     4.500     0.000 peak  3308 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.057 ppm2      5.431 CV     1
 ASSI { 3309}
   (  segid "    " and resid 100  and name HD1%)
   (( segid "    " and resid 137  and name HA  ))
      6.000     4.500     0.000 peak  3309 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.056 ppm2      4.295 CV     1
 ASSI { 3311}
   (  segid "    " and resid 100  and name HD1%)
   (( segid "    " and resid 138  and name HD1 ))
      6.000     4.500     0.000 peak  3311 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.055 ppm2      4.016 CV     1
 OR { 3311}
   (  segid "    " and resid 100  and name HD1%)
   (( segid "    " and resid 138  and name HD2 ))
 ASSI { 3314}
   (  segid "    " and resid 100  and name HD1%)
   (( segid "    " and resid 4    and name HB2 ))
      6.000     4.500     0.000 peak  3314 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.056 ppm2      2.695 CV     1
 OR { 3314}
   (  segid "    " and resid 100  and name HD1%)
   (( segid "    " and resid 4    and name HB1 ))
 ASSI { 3317}
   (  segid "    " and resid 100  and name HD1%)
   (( segid "    " and resid 100  and name HB1 ))
      6.000     4.500     0.000 peak  3317 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.056 ppm2      1.803 CV     1
 ASSI { 3318}
   (  segid "    " and resid 100  and name HD1%)
   (( segid "    " and resid 100  and name HG  ))
      6.000     4.500     0.000 peak  3318 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.057 ppm2      1.610 CV     1
 ASSI { 3320}
   (  segid "    " and resid 100  and name HD1%)
   (  segid "    " and resid 135  and name HD1%)
      6.000     4.500     0.000 peak  3320 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.057 ppm2      0.386 CV     1
 ASSI { 3322}
   (( segid "    " and resid 154  and name HG1 ))
   (( segid "    " and resid 126  and name HB1 ))
      6.000     4.500     0.000 peak  3322 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.037 ppm2      2.979 CV     1
 ASSI { 3326}
   (( segid "    " and resid 143  and name HG  ))
   (( segid "    " and resid 143  and name HN  ))
      6.000     4.500     0.000 peak  3326 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.967 ppm2      8.414 CV     1
 ASSI { 3329}
   (( segid "    " and resid 143  and name HG  ))
   (( segid "    " and resid 129  and name HN  ))
      6.000     4.500     0.000 peak  3329 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.950 ppm2      8.629 CV     1
 ASSI { 3330}
   (( segid "    " and resid 15   and name HG  ))
   (( segid "    " and resid 15   and name HN  ))
      6.000     4.500     0.000 peak  3330 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.948 ppm2      8.184 CV     1
 ASSI { 3333}
   (( segid "    " and resid 15   and name HG  ))
   (( segid "    " and resid 15   and name HA  ))
      6.000     4.500     0.000 peak  3333 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.950 ppm2      3.463 CV     1
 ASSI { 3339}
   (( segid "    " and resid 11   and name HG  ))
   (( segid "    " and resid 11   and name HN  ))
      6.000     4.500     0.000 peak  3339 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.891 ppm2      7.313 CV     1
 ASSI { 3346}
   (  segid "    " and resid 25   and name HD1%)
   (( segid "    " and resid 26   and name HN  ))
      6.000     4.500     0.000 peak  3346 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.818 ppm2      7.595 CV     1
 OR { 3346}
   (  segid "    " and resid 25   and name HD2%)
   (( segid "    " and resid 26   and name HN  ))
 ASSI { 3348}
   (  segid "    " and resid 25   and name HD2%)
   (( segid "    " and resid 25   and name HA  ))
      6.000     4.500     0.000 peak  3348 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.822 ppm2      3.882 CV     1
 OR { 3348}
   (  segid "    " and resid 25   and name HD1%)
   (( segid "    " and resid 25   and name HA  ))
 ASSI { 3350}
   (  segid "    " and resid 25   and name HD1%)
   (( segid "    " and resid 5    and name HB  ))
      6.000     4.500     0.000 peak  3350 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.822 ppm2      1.720 CV     1
 OR { 3350}
   (  segid "    " and resid 25   and name HD2%)
   (( segid "    " and resid 5    and name HB  ))
 ASSI { 3354}
   (( segid "    " and resid 154  and name HG2 ))
   (( segid "    " and resid 154  and name HE2 ))
      6.000     4.500     0.000 peak  3354 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.713 ppm2      2.830 CV     1
 OR { 3354}
   (( segid "    " and resid 154  and name HG2 ))
   (( segid "    " and resid 154  and name HE1 ))
 ASSI { 3355}
   (( segid "    " and resid 154  and name HG2 ))
   (( segid "    " and resid 154  and name HD1 ))
      6.000     4.500     0.000 peak  3355 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.715 ppm2      1.358 CV     1
 OR { 3355}
   (( segid "    " and resid 154  and name HG2 ))
   (( segid "    " and resid 154  and name HB1 ))
 OR { 3355}
   (( segid "    " and resid 154  and name HG2 ))
   (( segid "    " and resid 154  and name HD2 ))
 OR { 3355}
   (( segid "    " and resid 154  and name HG2 ))
   (( segid "    " and resid 154  and name HB2 ))
 ASSI { 3361}
   (  segid "    " and resid 147  and name HD1%)
   (( segid "    " and resid 126  and name HE3 ))
      6.000     4.500     0.000 peak  3361 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1     -0.473 ppm2      7.816 CV     1
 ASSI { 3363}
   (  segid "    " and resid 147  and name HD1%)
   (  segid "    " and resid 129  and name HD% )
      6.000     4.500     0.000 peak  3363 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1     -0.467 ppm2      7.197 CV     1
 ASSI { 3369}
   (  segid "    " and resid 147  and name HD1%)
   (( segid "    " and resid 147  and name HB2 ))
      6.000     4.500     0.000 peak  3369 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1     -0.471 ppm2      1.088 CV     1
 ASSI { 3370}
   (  segid "    " and resid 147  and name HD1%)
   (( segid "    " and resid 125  and name HB1 ))
      6.000     4.500     0.000 peak  3370 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1     -0.472 ppm2      0.918 CV     1
 ASSI { 3371}
   (  segid "    " and resid 147  and name HD1%)
   (( segid "    " and resid 147  and name HB1 ))
      6.000     4.500     0.000 peak  3371 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1     -0.472 ppm2      0.686 CV     1
 ASSI { 3372}
   (  segid "    " and resid 147  and name HD1%)
   (( segid "    " and resid 147  and name HA  ))
      6.000     4.500     0.000 peak  3372 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1     -0.474 ppm2      3.666 CV     1
 ASSI { 3377}
   (  segid "    " and resid 22   and name HD1%)
   (( segid "    " and resid 22   and name HN  ))
      6.000     4.500     0.000 peak  3377 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.848 ppm2      8.560 CV     1
 ASSI { 3379}
   (  segid "    " and resid 22   and name HD1%)
   (( segid "    " and resid 22   and name HA  ))
      6.000     4.500     0.000 peak  3379 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.844 ppm2      3.941 CV     1
 ASSI { 3380}
   (  segid "    " and resid 22   and name HD1%)
   (( segid "    " and resid 22   and name HB2 ))
      6.000     4.500     0.000 peak  3380 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.844 ppm2      2.081 CV     1
 ASSI { 3381}
   (  segid "    " and resid 22   and name HD1%)
   (( segid "    " and resid 22   and name HB1 ))
      6.000     4.500     0.000 peak  3381 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.850 ppm2      1.431 CV     1
 ASSI { 3388}
   (  segid "    " and resid 111  and name HD1%)
   (( segid "    " and resid 67   and name HA  ))
      6.000     4.500     0.000 peak  3388 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.352 ppm2      3.644 CV     1
 ASSI { 3391}
   (  segid "    " and resid 111  and name HD1%)
   (( segid "    " and resid 111  and name HB2 ))
      6.000     4.500     0.000 peak  3391 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.349 ppm2      1.287 CV     1
 ASSI { 3392}
   (  segid "    " and resid 111  and name HD1%)
   (( segid "    " and resid 111  and name HG  ))
      6.000     4.500     0.000 peak  3392 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.351 ppm2      1.016 CV     1
 ASSI { 3394}
   (  segid "    " and resid 111  and name HD1%)
   (( segid "    " and resid 111  and name HB1 ))
      6.000     4.500     0.000 peak  3394 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.346 ppm2      0.885 CV     1
 ASSI { 3398}
   (  segid "    " and resid 15   and name HD1%)
   (  segid "    " and resid 39   and name HD% )
      6.000     4.500     0.000 peak  3398 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.699 ppm2      6.990 CV     1
 ASSI { 3399}
   (  segid "    " and resid 15   and name HD2%)
   (( segid "    " and resid 15   and name HB1 ))
      6.000     4.500     0.000 peak  3399 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.701 ppm2      1.457 CV     1
 OR { 3399}
   (  segid "    " and resid 15   and name HD1%)
   (( segid "    " and resid 15   and name HB1 ))
 ASSI { 3400}
   (  segid "    " and resid 15   and name HD1%)
   (( segid "    " and resid 15   and name HN  ))
      6.000     4.500     0.000 peak  3400 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.693 ppm2      8.199 CV     1
 OR { 3400}
   (  segid "    " and resid 15   and name HD2%)
   (( segid "    " and resid 15   and name HN  ))
 ASSI { 3401}
   (  segid "    " and resid 15   and name HD1%)
   (( segid "    " and resid 15   and name HA  ))
      6.000     4.500     0.000 peak  3401 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.696 ppm2      3.454 CV     1
 OR { 3401}
   (  segid "    " and resid 15   and name HD2%)
   (( segid "    " and resid 15   and name HA  ))
 ASSI { 3403}
   (  segid "    " and resid 18   and name HG2%)
   (( segid "    " and resid 18   and name HN  ))
      6.000     4.500     0.000 peak  3403 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.638 ppm2      8.526 CV     1
 ASSI { 3406}
   (  segid "    " and resid 18   and name HG2%)
   (( segid "    " and resid 15   and name HA  ))
      6.000     4.500     0.000 peak  3406 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.643 ppm2      3.467 CV     1
 ASSI { 3410}
   (  segid "    " and resid 18   and name HG2%)
   (  segid "    " and resid 18   and name HG1%)
      6.000     4.500     0.000 peak  3410 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.639 ppm2      0.290 CV     1
 ASSI { 3411}
   (  segid "    " and resid 18   and name HG2%)
   (  segid "    " and resid 54   and name HD2%)
      6.000     4.500     0.000 peak  3411 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.640 ppm2     -0.519 CV     1
 ASSI { 3416}
   (  segid "    " and resid 56   and name HB% )
   (( segid "    " and resid 7    and name HN  ))
      6.000     4.500     0.000 peak  3416 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.447 ppm2      8.802 CV     1
 ASSI { 3417}
   (  segid "    " and resid 56   and name HB% )
   (  segid "    " and resid 39   and name HD% )
      6.000     4.500     0.000 peak  3417 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.448 ppm2      6.963 CV     1
 ASSI { 3419}
   (  segid "    " and resid 56   and name HB% )
   (( segid "    " and resid 55   and name HA  ))
      6.000     4.500     0.000 peak  3419 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.449 ppm2      6.127 CV     1
 ASSI { 3420}
   (  segid "    " and resid 56   and name HB% )
   (( segid "    " and resid 57   and name HA  ))
      6.000     4.500     0.000 peak  3420 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.453 ppm2      5.647 CV     1
 ASSI { 3422}
   (  segid "    " and resid 56   and name HB% )
   (  segid "    " and resid 36   and name HG1%)
      6.000     4.500     0.000 peak  3422 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.451 ppm2      1.086 CV     1
 ASSI { 3423}
   (  segid "    " and resid 56   and name HB% )
   (  segid "    " and resid 7    and name HD1%)
      6.000     4.500     0.000 peak  3423 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.451 ppm2      0.663 CV     1
 ASSI { 3424}
   (  segid "    " and resid 56   and name HB% )
   (  segid "    " and resid 18   and name HG1%)
      6.000     4.500     0.000 peak  3424 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.450 ppm2      0.292 CV     1
 ASSI { 3432}
   (  segid "    " and resid 18   and name HG2%)
   (  segid "    " and resid 54   and name HD1%)
      6.000     4.500     0.000 peak  3432 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.639 ppm2      0.170 CV     1
 ASSI { 3434}
   (  segid "    " and resid 69   and name HD1%)
   (( segid "    " and resid 69   and name HN  ))
      6.000     4.500     0.000 peak  3434 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.922 ppm2      8.154 CV     1
 OR { 3434}
   (  segid "    " and resid 69   and name HD2%)
   (( segid "    " and resid 69   and name HN  ))
 ASSI { 3435}
   (  segid "    " and resid 69   and name HD1%)
   (( segid "    " and resid 69   and name HA  ))
      6.000     4.500     0.000 peak  3435 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.924 ppm2      4.171 CV     1
 OR { 3435}
   (  segid "    " and resid 69   and name HD2%)
   (( segid "    " and resid 69   and name HA  ))
 ASSI { 3441}
   (( segid "    " and resid 155  and name HG  ))
   (( segid "    " and resid 123  and name HA  ))
      6.000     4.500     0.000 peak  3441 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.917 ppm2      4.331 CV     1
 ASSI { 3442}
   (( segid "    " and resid 155  and name HG  ))
   (( segid "    " and resid 43   and name HD2 ))
      6.000     4.500     0.000 peak  3442 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.918 ppm2      3.830 CV     1
 OR { 3442}
   (( segid "    " and resid 155  and name HG  ))
   (( segid "    " and resid 43   and name HD1 ))
 ASSI { 3450}
   (( segid "    " and resid 94   and name HG  ))
   (( segid "    " and resid 77   and name HB1 ))
      6.000     4.500     0.000 peak  3450 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.780 ppm2      1.847 CV     1
 ASSI { 3451}
   (( segid "    " and resid 94   and name HG  ))
   (( segid "    " and resid 94   and name HB2 ))
      6.000     4.500     0.000 peak  3451 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.783 ppm2      1.710 CV     1
 ASSI { 3456}
   (( segid "    " and resid 128  and name HG  ))
   (  segid "    " and resid 4    and name HD% )
      6.000     4.500     0.000 peak  3456 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.271 ppm2      6.817 CV     1
 ASSI { 3472}
   (  segid "    " and resid 42   and name HG2%)
   (( segid "    " and resid 42   and name HA  ))
      6.000     4.500     0.000 peak  3472 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.241 ppm2      4.985 CV     1
 ASSI { 3474}
   (  segid "    " and resid 42   and name HG2%)
   (( segid "    " and resid 42   and name HB  ))
      6.000     4.500     0.000 peak  3474 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.241 ppm2      4.150 CV     1
 ASSI { 3480}
   (  segid "    " and resid 42   and name HG2%)
   (  segid "    " and resid 45   and name HD1%)
      6.000     4.500     0.000 peak  3480 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.242 ppm2      0.891 CV     1
 ASSI { 3489}
   (  segid "    " and resid 69   and name HD2%)
   (( segid "    " and resid 66   and name HB2 ))
      6.000     4.500     0.000 peak  3489 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.954 ppm2      1.251 CV     1
 OR { 3489}
   (  segid "    " and resid 69   and name HD1%)
   (( segid "    " and resid 66   and name HB2 ))
 ASSI { 3491}
   (( segid "    " and resid 155  and name HG  ))
   (( segid "    " and resid 127  and name HD1 ))
      6.000     4.500     0.000 peak  3491 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.910 ppm2      3.131 CV     1
 ASSI { 3494}
   (( segid "    " and resid 155  and name HG  ))
   (( segid "    " and resid 126  and name HD1 ))
      6.000     4.500     0.000 peak  3494 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.906 ppm2      6.768 CV     1
 ASSI { 3499}
   (( segid "    " and resid 94   and name HG  ))
   (( segid "    " and resid 77   and name HA  ))
      6.000     4.500     0.000 peak  3499 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.781 ppm2      3.680 CV     1
 ASSI { 3502}
   (( segid "    " and resid 94   and name HG  ))
   (( segid "    " and resid 95   and name HB1 ))
      6.000     4.500     0.000 peak  3502 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.785 ppm2      2.535 CV     1
 ASSI { 3503}
   (( segid "    " and resid 94   and name HG  ))
   (( segid "    " and resid 77   and name HG1 ))
      6.000     4.500     0.000 peak  3503 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.783 ppm2      2.035 CV     1
 ASSI { 3506}
   (( segid "    " and resid 94   and name HG  ))
   (( segid "    " and resid 8    and name HN  ))
      6.000     4.500     0.000 peak  3506 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.772 ppm2      8.792 CV     1
 ASSI { 3514}
   (  segid "    " and resid 70   and name HD1%)
   (( segid "    " and resid 98   and name HB  ))
      6.000     4.500     0.000 peak  3514 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.684 ppm2      2.093 CV     1
 ASSI { 3515}
   (  segid "    " and resid 70   and name HD1%)
   (( segid "    " and resid 70   and name HB2 ))
      6.000     4.500     0.000 peak  3515 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.684 ppm2      1.850 CV     1
 ASSI { 3516}
   (  segid "    " and resid 70   and name HD1%)
   (( segid "    " and resid 69   and name HB1 ))
      6.000     4.500     0.000 peak  3516 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.681 ppm2      1.280 CV     1
 ASSI { 3517}
   (  segid "    " and resid 70   and name HD1%)
   (  segid "    " and resid 70   and name HD2%)
      6.000     4.500     0.000 peak  3517 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.682 ppm2      0.443 CV     1
 ASSI { 3524}
   (( segid "    " and resid 128  and name HG  ))
   (( segid "    " and resid 135  and name HB2 ))
      6.000     4.500     0.000 peak  3524 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.275 ppm2      1.723 CV     1
 ASSI { 3525}
   (( segid "    " and resid 128  and name HG  ))
   (( segid "    " and resid 131  and name HG11))
      6.000     4.500     0.000 peak  3525 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.274 ppm2      1.463 CV     1
 ASSI { 3528}
   (  segid "    " and resid 54   and name HD1%)
   (( segid "    " and resid 54   and name HN  ))
      6.000     4.500     0.000 peak  3528 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.173 ppm2      8.697 CV     1
 ASSI { 3529}
   (  segid "    " and resid 54   and name HD1%)
   (  segid "    " and resid 39   and name HD% )
      6.000     4.500     0.000 peak  3529 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.174 ppm2      6.983 CV     1
 ASSI { 3533}
   (  segid "    " and resid 54   and name HD1%)
   (( segid "    " and resid 158  and name HB2 ))
      6.000     4.500     0.000 peak  3533 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.173 ppm2      3.136 CV     1
 ASSI { 3541}
   (  segid "    " and resid 54   and name HD1%)
   (( segid "    " and resid 9    and name HN  ))
      6.000     4.500     0.000 peak  3541 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.162 ppm2      8.552 CV     1
 ASSI { 3544}
   (  segid "    " and resid 42   and name HG2%)
   (( segid "    " and resid 45   and name HB2 ))
      6.000     4.500     0.000 peak  3544 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.243 ppm2      1.612 CV     1
 OR { 3544}
   (  segid "    " and resid 42   and name HG2%)
   (( segid "    " and resid 45   and name HB1 ))
 ASSI { 3553}
   (  segid "    " and resid 113  and name HG1%)
   (( segid "    " and resid 113  and name HA  ))
      6.000     4.500     0.000 peak  3553 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.857 ppm2      4.306 CV     1
 ASSI { 3554}
   (  segid "    " and resid 113  and name HG1%)
   (( segid "    " and resid 101  and name HB2 ))
      6.000     4.500     0.000 peak  3554 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.856 ppm2      3.317 CV     1
 ASSI { 3555}
   (  segid "    " and resid 113  and name HG1%)
   (( segid "    " and resid 101  and name HB1 ))
      6.000     4.500     0.000 peak  3555 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.860 ppm2      2.310 CV     1
 ASSI { 3558}
   (  segid "    " and resid 113  and name HG1%)
   (( segid "    " and resid 104  and name HB2 ))
      6.000     4.500     0.000 peak  3558 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.845 ppm2      2.188 CV     1
 ASSI { 3559}
   (  segid "    " and resid 113  and name HG1%)
   (( segid "    " and resid 113  and name HB  ))
      6.000     4.500     0.000 peak  3559 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.853 ppm2      1.854 CV     1
 ASSI { 3577}
   (  segid "    " and resid 57   and name HB% )
   (( segid "    " and resid 127  and name HB1 ))
      6.000     4.500     0.000 peak  3577 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.342 ppm2      1.931 CV     1
 ASSI { 3579}
   (  segid "    " and resid 57   and name HB% )
   (  segid "    " and resid 4    and name HD% )
      6.000     4.500     0.000 peak  3579 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.336 ppm2      6.812 CV     1
 ASSI { 3580}
   (  segid "    " and resid 57   and name HB% )
   (( segid "    " and resid 128  and name HA  ))
      6.000     4.500     0.000 peak  3580 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.335 ppm2      3.807 CV     1
 ASSI { 3596}
   (  segid "    " and resid 36   and name HG1%)
   (( segid "    " and resid 59   and name HN  ))
      6.000     4.500     0.000 peak  3596 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.087 ppm2      8.602 CV     1
 ASSI { 3606}
   (( segid "    " and resid 64   and name HG  ))
   (( segid "    " and resid 30   and name HN  ))
      6.000     4.500     0.000 peak  3606 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.754 ppm2      8.903 CV     1
 ASSI { 3609}
   (  segid "    " and resid 2    and name HG2%)
   (( segid "    " and resid 102  and name HA2 ))
      6.000     4.500     0.000 peak  3609 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.757 ppm2      3.866 CV     1
 OR { 3609}
   (  segid "    " and resid 2    and name HG2%)
   (( segid "    " and resid 102  and name HA1 ))
 ASSI { 3611}
   (  segid "    " and resid 2    and name HG2%)
   (( segid "    " and resid 61   and name HG1 ))
      6.000     4.500     0.000 peak  3611 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.755 ppm2      1.903 CV     1
 ASSI { 3613}
   (  segid "    " and resid 2    and name HG2%)
   (  segid "    " and resid 2    and name HG1%)
      6.000     4.500     0.000 peak  3613 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.758 ppm2      0.130 CV     1
 ASSI { 3614}
   (( segid "    " and resid 64   and name HG  ))
   (( segid "    " and resid 64   and name HN  ))
      6.000     4.500     0.000 peak  3614 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.746 ppm2      8.537 CV     1
 ASSI { 3616}
   (( segid "    " and resid 64   and name HG  ))
   (( segid "    " and resid 63   and name HN  ))
      6.000     4.500     0.000 peak  3616 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.746 ppm2      8.260 CV     1
 ASSI { 3621}
   (  segid "    " and resid 149  and name HG2%)
   (( segid "    " and resid 150  and name HN  ))
      6.000     4.500     0.000 peak  3621 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.262 ppm2      7.846 CV     1
 ASSI { 3628}
   (  segid "    " and resid 149  and name HG2%)
   (( segid "    " and resid 145  and name HG1 ))
      6.000     4.500     0.000 peak  3628 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.264 ppm2      2.475 CV     1
 ASSI { 3631}
   (  segid "    " and resid 35   and name HG2%)
   (( segid "    " and resid 36   and name HN  ))
      6.000     4.500     0.000 peak  3631 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.243 ppm2      8.293 CV     1
 ASSI { 3632}
   (  segid "    " and resid 59   and name HB% )
   (( segid "    " and resid 35   and name HN  ))
      6.000     4.500     0.000 peak  3632 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.236 ppm2      7.359 CV     1
 ASSI { 3633}
   (  segid "    " and resid 59   and name HB% )
   (  segid "    " and resid 4    and name HD% )
      6.000     4.500     0.000 peak  3633 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.237 ppm2      6.820 CV     1
 ASSI { 3635}
   (  segid "    " and resid 59   and name HB% )
   (( segid "    " and resid 58   and name HA  ))
      6.000     4.500     0.000 peak  3635 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.237 ppm2      4.905 CV     1
 ASSI { 3641}
   (  segid "    " and resid 59   and name HB% )
   (  segid "    " and resid 2    and name HG1%)
      6.000     4.500     0.000 peak  3641 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.237 ppm2      0.127 CV     1
 ASSI { 3645}
   (  segid "    " and resid 108  and name HG2%)
   (( segid "    " and resid 111  and name HN  ))
      6.000     4.500     0.000 peak  3645 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.202 ppm2      7.599 CV     1
 ASSI { 3653}
   (  segid "    " and resid 113  and name HG2%)
   (( segid "    " and resid 113  and name HN  ))
      6.000     4.500     0.000 peak  3653 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.145 ppm2      9.366 CV     1
 ASSI { 3666}
   (  segid "    " and resid 113  and name HG2%)
   (( segid "    " and resid 101  and name HB1 ))
      6.000     4.500     0.000 peak  3666 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.147 ppm2      2.318 CV     1
 ASSI { 3671}
   (  segid "    " and resid 73   and name HG2%)
   (( segid "    " and resid 72   and name HB2 ))
      6.000     4.500     0.000 peak  3671 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.052 ppm2      3.425 CV     1
 ASSI { 3681}
   (  segid "    " and resid 58   and name HG1%)
   (( segid "    " and resid 60   and name HN  ))
      6.000     4.500     0.000 peak  3681 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.964 ppm2      9.302 CV     1
 ASSI { 3683}
   (  segid "    " and resid 58   and name HG1%)
   (( segid "    " and resid 35   and name HN  ))
      6.000     4.500     0.000 peak  3683 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.961 ppm2      7.362 CV     1
 ASSI { 3685}
   (  segid "    " and resid 58   and name HG1%)
   (( segid "    " and resid 59   and name HN  ))
      6.000     4.500     0.000 peak  3685 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.956 ppm2      8.595 CV     1
 ASSI { 3687}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 5    and name HB  ))
      6.000     4.500     0.000 peak  3687 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.956 ppm2      1.748 CV     1
 OR { 3687}
   (  segid "    " and resid 58   and name HG1%)
   (( segid "    " and resid 5    and name HB  ))
 ASSI { 3706}
   (  segid "    " and resid 147  and name HD2%)
   (  segid "    " and resid 152  and name HD% )
      6.000     4.500     0.000 peak  3706 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1     -0.564 ppm2      7.087 CV     1
 ASSI { 3710}
   (  segid "    " and resid 147  and name HD2%)
   (( segid "    " and resid 147  and name HB1 ))
      6.000     4.500     0.000 peak  3710 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1     -0.564 ppm2      0.699 CV     1
 ASSI { 3712}
   (  segid "    " and resid 147  and name HD2%)
   (( segid "    " and resid 122  and name HA2 ))
      6.000     4.500     0.000 peak  3712 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1     -0.570 ppm2      4.082 CV     1
 ASSI { 3713}
   (  segid "    " and resid 147  and name HD2%)
   (( segid "    " and resid 119  and name HA  ))
      6.000     4.500     0.000 peak  3713 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1     -0.567 ppm2      3.805 CV     1
 ASSI { 3714}
   (  segid "    " and resid 147  and name HD2%)
   (( segid "    " and resid 152  and name HB2 ))
      6.000     4.500     0.000 peak  3714 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1     -0.566 ppm2      3.390 CV     1
 ASSI { 3715}
   (  segid "    " and resid 147  and name HD2%)
   (( segid "    " and resid 146  and name HB  ))
      6.000     4.500     0.000 peak  3715 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1     -0.569 ppm2      1.804 CV     1
 ASSI { 3721}
   (  segid "    " and resid 6    and name HB% )
   (  segid "    " and resid 5    and name HG2%)
      6.000     4.500     0.000 peak  3721 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.749 ppm2      0.831 CV     1
 ASSI { 3723}
   (  segid "    " and resid 59   and name HB% )
   (( segid "    " and resid 4    and name HA  ))
      6.000     4.500     0.000 peak  3723 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.235 ppm2      5.602 CV     1
 ASSI { 3727}
   (  segid "    " and resid 3    and name HB% )
   (  segid "    " and resid 69   and name HD2%)
      6.000     4.500     0.000 peak  3727 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.214 ppm2      0.969 CV     1
 ASSI { 3729}
   (  segid "    " and resid 105  and name HG1%)
   (( segid "    " and resid 107  and name HD21))
      6.000     4.500     0.000 peak  3729 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.030 ppm2      7.797 CV     1
 ASSI { 3730}
   (  segid "    " and resid 105  and name HG1%)
   (( segid "    " and resid 107  and name HD22))
      6.000     4.500     0.000 peak  3730 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.028 ppm2      6.793 CV     1
 ASSI { 3731}
   (  segid "    " and resid 105  and name HG1%)
   (( segid "    " and resid 106  and name HN  ))
      6.000     4.500     0.000 peak  3731 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.019 ppm2      9.410 CV     1
 OR { 3731}
   (  segid "    " and resid 105  and name HG2%)
   (( segid "    " and resid 106  and name HN  ))
 ASSI { 3734}
   (  segid "    " and resid 105  and name HG2%)
   (( segid "    " and resid 104  and name HA  ))
      6.000     4.500     0.000 peak  3734 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.015 ppm2      4.213 CV     1
 OR { 3734}
   (  segid "    " and resid 105  and name HG1%)
   (( segid "    " and resid 104  and name HA  ))
 ASSI { 3737}
   (  segid "    " and resid 105  and name HG2%)
   (( segid "    " and resid 138  and name HD2 ))
      6.000     4.500     0.000 peak  3737 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.009 ppm2      4.018 CV     1
 OR { 3737}
   (  segid "    " and resid 105  and name HG2%)
   (( segid "    " and resid 138  and name HD1 ))
 ASSI { 3750}
   (( segid "    " and resid 1    and name HG21))
   (( segid "    " and resid 2    and name HB  ))
      6.000     4.500     0.000 peak  3750 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.512 ppm2      1.762 CV     1
 ASSI { 3758}
   (  segid "    " and resid 6    and name HB% )
   (( segid "    " and resid 96   and name HA  ))
      6.000     4.500     0.000 peak  3758 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.747 ppm2      5.479 CV     1
 ASSI { 3763}
   (  segid "    " and resid 112  and name HG2%)
   (( segid "    " and resid 113  and name HN  ))
      6.000     4.500     0.000 peak  3763 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.432 ppm2      9.346 CV     1
 ASSI { 3773}
   (  segid "    " and resid 112  and name HG2%)
   (( segid "    " and resid 99   and name HG2 ))
      6.000     4.500     0.000 peak  3773 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.432 ppm2      2.669 CV     1
 ASSI { 3782}
   (  segid "    " and resid 105  and name HG2%)
   (( segid "    " and resid 139  and name HN  ))
      6.000     4.500     0.000 peak  3782 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.007 ppm2      7.484 CV     1
 ASSI { 3784}
   (  segid "    " and resid 105  and name HG2%)
   (( segid "    " and resid 138  and name HA  ))
      6.000     4.500     0.000 peak  3784 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.008 ppm2      4.486 CV     1
 ASSI { 3792}
   (( segid "    " and resid 1    and name HG21))
   (  segid "    " and resid 101  and name HD% )
      6.000     4.500     0.000 peak  3792 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.511 ppm2      7.004 CV     1
 ASSI { 3793}
   (( segid "    " and resid 1    and name HG21))
   (( segid "    " and resid 102  and name HA1 ))
      6.000     4.500     0.000 peak  3793 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.512 ppm2      3.862 CV     1
 OR { 3793}
   (( segid "    " and resid 1    and name HG21))
   (( segid "    " and resid 102  and name HA2 ))
 ASSI { 3797}
   (  segid "    " and resid 36   and name HG2%)
   (( segid "    " and resid 60   and name HB2 ))
      6.000     4.500     0.000 peak  3797 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.324 ppm2      1.795 CV     1
 ASSI { 3799}
   (  segid "    " and resid 83   and name HG2%)
   (( segid "    " and resid 83   and name HN  ))
      6.000     4.500     0.000 peak  3799 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.976 ppm2      8.489 CV     1
 ASSI { 3804}
   (  segid "    " and resid 18   and name HG1%)
   (( segid "    " and resid 15   and name HA  ))
      6.000     4.500     0.000 peak  3804 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.295 ppm2      3.458 CV     1
 ASSI { 3810}
   (  segid "    " and resid 18   and name HG1%)
   (  segid "    " and resid 22   and name HD1%)
      6.000     4.500     0.000 peak  3810 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.299 ppm2      0.823 CV     1
 ASSI { 3813}
   (  segid "    " and resid 18   and name HG1%)
   (( segid "    " and resid 22   and name HG  ))
      6.000     4.500     0.000 peak  3813 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.294 ppm2      1.842 CV     1
 ASSI { 3817}
   (  segid "    " and resid 2    and name HG1%)
   (  segid "    " and resid 4    and name HD% )
      6.000     4.500     0.000 peak  3817 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.132 ppm2      6.819 CV     1
 ASSI { 3821}
   (  segid "    " and resid 2    and name HG1%)
   (( segid "    " and resid 34   and name HB2 ))
      6.000     4.500     0.000 peak  3821 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.130 ppm2      1.528 CV     1
 ASSI { 3827}
   (  segid "    " and resid 36   and name HG2%)
   (( segid "    " and resid 57   and name HN  ))
      6.000     4.500     0.000 peak  3827 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.331 ppm2      9.465 CV     1
 ASSI { 3828}
   (  segid "    " and resid 36   and name HG2%)
   (( segid "    " and resid 37   and name HN  ))
      6.000     4.500     0.000 peak  3828 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.330 ppm2      9.201 CV     1
 ASSI { 3832}
   (  segid "    " and resid 24   and name HB% )
   (  segid "    " and resid 94   and name HD2%)
      6.000     4.500     0.000 peak  3832 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.518 ppm2      0.734 CV     1
 OR { 3832}
   (  segid "    " and resid 24   and name HB% )
   (  segid "    " and resid 94   and name HD1%)
 ASSI { 3856}
   (  segid "    " and resid 24   and name HB% )
   (( segid "    " and resid 26   and name HN  ))
      6.000     4.500     0.000 peak  3856 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.521 ppm2      7.608 CV     1
 ASSI { 3857}
   (  segid "    " and resid 24   and name HB% )
   (( segid "    " and resid 80   and name HB2 ))
      6.000     4.500     0.000 peak  3857 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.522 ppm2      2.309 CV     1
 OR { 3857}
   (  segid "    " and resid 24   and name HB% )
   (( segid "    " and resid 80   and name HB1 ))
 ASSI { 3858}
   (  segid "    " and resid 24   and name HB% )
   (  segid "    " and resid 76   and name HG2%)
      6.000     4.500     0.000 peak  3858 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.519 ppm2      0.853 CV     1
 ASSI { 3862}
   (  segid "    " and resid 24   and name HB% )
   (( segid "    " and resid 23   and name HN  ))
      6.000     4.500     0.000 peak  3862 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.516 ppm2      7.744 CV     1
 ASSI { 3863}
   (  segid "    " and resid 24   and name HB% )
   (( segid "    " and resid 24   and name HA  ))
      6.000     4.500     0.000 peak  3863 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.518 ppm2      4.172 CV     1
 ASSI { 3864}
   (  segid "    " and resid 24   and name HB% )
   (( segid "    " and resid 21   and name HA  ))
      6.000     4.500     0.000 peak  3864 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.518 ppm2      3.952 CV     1
 ASSI { 3866}
   (  segid "    " and resid 24   and name HB% )
   (( segid "    " and resid 76   and name HG12))
      6.000     4.500     0.000 peak  3866 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.514 ppm2      2.089 CV     1
 OR { 3866}
   (  segid "    " and resid 24   and name HB% )
   (( segid "    " and resid 76   and name HG11))
 ASSI { 3867}
   (  segid "    " and resid 24   and name HB% )
   (( segid "    " and resid 76   and name HA  ))
      6.000     4.500     0.000 peak  3867 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.502 ppm2      3.774 CV     1
 ASSI { 3882}
   (  segid "    " and resid 132  and name HB% )
   (( segid "    " and resid 135  and name HB2 ))
      6.000     4.500     0.000 peak  3882 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.992 ppm2      1.716 CV     1
 ASSI { 3892}
   (  segid "    " and resid 62   and name HG2%)
   (( segid "    " and resid 64   and name HB2 ))
      6.000     4.500     0.000 peak  3892 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.087 ppm2      1.754 CV     1
 ASSI { 3893}
   (  segid "    " and resid 21   and name HB% )
   (( segid "    " and resid 20   and name HN  ))
      6.000     4.500     0.000 peak  3893 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.445 ppm2      8.185 CV     1
 ASSI { 3894}
   (  segid "    " and resid 21   and name HB% )
   (( segid "    " and resid 24   and name HN  ))
      6.000     4.500     0.000 peak  3894 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.451 ppm2      7.888 CV     1
 ASSI { 3895}
   (  segid "    " and resid 21   and name HB% )
   (( segid "    " and resid 23   and name HN  ))
      6.000     4.500     0.000 peak  3895 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.442 ppm2      7.759 CV     1
 ASSI { 3910}
   (  segid "    " and resid 106  and name HG2%)
   (( segid "    " and resid 107  and name HA  ))
      6.000     4.500     0.000 peak  3910 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.915 ppm2      5.495 CV     1
 ASSI { 3912}
   (  segid "    " and resid 106  and name HG2%)
   (( segid "    " and resid 106  and name HB  ))
      6.000     4.500     0.000 peak  3912 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.915 ppm2      1.412 CV     1
 ASSI { 3913}
   (  segid "    " and resid 106  and name HG2%)
   (  segid "    " and resid 106  and name HD1%)
      6.000     4.500     0.000 peak  3913 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.913 ppm2      0.607 CV     1
 ASSI { 3916}
   (  segid "    " and resid 86   and name HB% )
   (( segid "    " and resid 86   and name HN  ))
      6.000     4.500     0.000 peak  3916 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.410 ppm2      8.469 CV     1
 ASSI { 3938}
   (  segid "    " and resid 20   and name HB% )
   (( segid "    " and resid 21   and name HN  ))
      6.000     4.500     0.000 peak  3938 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.526 ppm2      8.592 CV     1
 ASSI { 3943}
   (  segid "    " and resid 20   and name HB% )
   (( segid "    " and resid 20   and name HA  ))
      6.000     4.500     0.000 peak  3943 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.526 ppm2      4.180 CV     1
 ASSI { 3985}
   (  segid "    " and resid 76   and name HG2%)
   (( segid "    " and resid 21   and name HN  ))
      6.000     4.500     0.000 peak  3985 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.850 ppm2      8.582 CV     1
 ASSI { 3994}
   (  segid "    " and resid 146  and name HG2%)
   (( segid "    " and resid 141  and name HG2 ))
      6.000     4.500     0.000 peak  3994 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.743 ppm2      2.274 CV     1
 ASSI { 4027}
   (  segid "    " and resid 33   and name HG2%)
   (( segid "    " and resid 61   and name HN  ))
      6.000     4.500     0.000 peak  4027 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.770 ppm2      8.806 CV     1
 ASSI { 4029}
   (  segid "    " and resid 33   and name HG2%)
   (( segid "    " and resid 59   and name HN  ))
      6.000     4.500     0.000 peak  4029 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.761 ppm2      8.596 CV     1
 ASSI { 4031}
   (  segid "    " and resid 33   and name HG2%)
   (( segid "    " and resid 35   and name HN  ))
      6.000     4.500     0.000 peak  4031 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.757 ppm2      7.350 CV     1
 ASSI { 4032}
   (  segid "    " and resid 33   and name HG2%)
   (( segid "    " and resid 33   and name HA  ))
      6.000     4.500     0.000 peak  4032 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.757 ppm2      3.860 CV     1
 ASSI { 4049}
   (  segid "    " and resid 5    and name HG2%)
   (( segid "    " and resid 96   and name HA  ))
      6.000     4.500     0.000 peak  4049 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.826 ppm2      5.452 CV     1
 ASSI { 4052}
   (  segid "    " and resid 28   and name HG2%)
   (( segid "    " and resid 29   and name HA  ))
      6.000     4.500     0.000 peak  4052 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.598 ppm2      4.336 CV     1
 ASSI { 4059}
   (  segid "    " and resid 28   and name HG2%)
   (( segid "    " and resid 69   and name HA  ))
      6.000     4.500     0.000 peak  4059 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.592 ppm2      4.161 CV     1
 ASSI { 4064}
   (  segid "    " and resid 28   and name HG2%)
   (( segid "    " and resid 28   and name HG12))
      6.000     4.500     0.000 peak  4064 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.593 ppm2      2.049 CV     1
 OR { 4064}
   (  segid "    " and resid 28   and name HG2%)
   (( segid "    " and resid 28   and name HG11))
 ASSI { 4065}
   (  segid "    " and resid 151  and name HB% )
   (( segid "    " and resid 150  and name HN  ))
      6.000     4.500     0.000 peak  4065 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.201 ppm2      7.848 CV     1
 ASSI { 4070}
   (  segid "    " and resid 28   and name HD1%)
   (( segid "    " and resid 31   and name HN  ))
      6.000     4.500     0.000 peak  4070 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.795 ppm2      7.286 CV     1
 ASSI { 4072}
   (  segid "    " and resid 28   and name HD1%)
   (( segid "    " and resid 29   and name HD2 ))
      6.000     4.500     0.000 peak  4072 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.795 ppm2      3.647 CV     1
 ASSI { 4077}
   (  segid "    " and resid 146  and name HD1%)
   (( segid "    " and resid 147  and name HN  ))
      6.000     4.500     0.000 peak  4077 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.477 ppm2      7.424 CV     1
 ASSI { 4078}
   (  segid "    " and resid 146  and name HD1%)
   (( segid "    " and resid 119  and name HA  ))
      6.000     4.500     0.000 peak  4078 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.478 ppm2      3.784 CV     1
 ASSI { 4092}
   (  segid "    " and resid 146  and name HD1%)
   (( segid "    " and resid 119  and name HB1 ))
      6.000     4.500     0.000 peak  4092 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.474 ppm2      1.456 CV     1
 ASSI { 4093}
   (  segid "    " and resid 146  and name HD1%)
   (( segid "    " and resid 119  and name HG1 ))
      6.000     4.500     0.000 peak  4093 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.475 ppm2      1.266 CV     1
 ASSI { 4115}
   (  segid "    " and resid 28   and name HD1%)
   (( segid "    " and resid 25   and name HN  ))
      6.000     4.500     0.000 peak  4115 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.795 ppm2      8.984 CV     1
 ASSI { 4117}
   (  segid "    " and resid 28   and name HD1%)
   (( segid "    " and resid 25   and name HA  ))
      6.000     4.500     0.000 peak  4117 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.796 ppm2      3.865 CV     1
 ASSI { 4135}
   (  segid "    " and resid 7    and name HD1%)
   (( segid "    " and resid 22   and name HA  ))
      6.000     4.500     0.000 peak  4135 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.670 ppm2      3.943 CV     1
 ASSI { 4136}
   (  segid "    " and resid 7    and name HD1%)
   (( segid "    " and resid 25   and name HG  ))
      6.000     4.500     0.000 peak  4136 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.666 ppm2      1.916 CV     1
 ASSI { 4138}
   (  segid "    " and resid 106  and name HD1%)
   (( segid "    " and resid 105  and name HN  ))
      6.000     4.500     0.000 peak  4138 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.622 ppm2      8.184 CV     1
 ASSI { 4141}
   (  segid "    " and resid 106  and name HD1%)
   (  segid "    " and resid 101  and name HD% )
      6.000     4.500     0.000 peak  4141 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.614 ppm2      7.000 CV     1
 ASSI { 4149}
   (  segid "    " and resid 106  and name HD1%)
   (( segid "    " and resid 66   and name HG1 ))
      6.000     4.500     0.000 peak  4149 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.615 ppm2      1.714 CV     1
 ASSI { 4151}
   (  segid "    " and resid 33   and name HD1%)
   (( segid "    " and resid 32   and name HN  ))
      6.000     4.500     0.000 peak  4151 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.868 ppm2      8.997 CV     1
 ASSI { 4152}
   (  segid "    " and resid 33   and name HD1%)
   (( segid "    " and resid 33   and name HB  ))
      6.000     4.500     0.000 peak  4152 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.868 ppm2      1.763 CV     1
 ASSI { 4153}
   (  segid "    " and resid 33   and name HD1%)
   (( segid "    " and resid 33   and name HG12))
      6.000     4.500     0.000 peak  4153 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.870 ppm2      1.565 CV     1
 OR { 4153}
   (  segid "    " and resid 33   and name HD1%)
   (( segid "    " and resid 33   and name HG11))
 ASSI { 4156}
   (  segid "    " and resid 33   and name HD1%)
   (( segid "    " and resid 26   and name HN  ))
      6.000     4.500     0.000 peak  4156 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.867 ppm2      7.575 CV     1
 ASSI { 4157}
   (  segid "    " and resid 33   and name HD1%)
   (( segid "    " and resid 35   and name HN  ))
      6.000     4.500     0.000 peak  4157 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.864 ppm2      7.342 CV     1
 ASSI { 4159}
   (  segid "    " and resid 33   and name HD1%)
   (( segid "    " and resid 25   and name HB2 ))
      6.000     4.500     0.000 peak  4159 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.863 ppm2      2.112 CV     1
 ASSI { 4161}
   (  segid "    " and resid 33   and name HD1%)
   (( segid "    " and resid 25   and name HB1 ))
      6.000     4.500     0.000 peak  4161 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.867 ppm2      1.234 CV     1
 ASSI {    4}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 2    and name HN  ))
      6.000     4.500     0.000 peak     4 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.274 ppm2      8.753 CV     1
 OR {    4}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 61   and name HN  ))
 ASSI {   10}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 102  and name HA2 ))
      6.000     4.500     0.000 peak    10 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.273 ppm2      3.875 CV     1
 OR {   10}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 102  and name HA1 ))
 OR {   10}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 33   and name HA  ))
 ASSI {   11}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 2    and name HB  ))
      6.000     4.500     0.000 peak    11 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.277 ppm2      1.759 CV     1
 OR {   11}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 61   and name HB2 ))
 ASSI {   14}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 60   and name HB2 ))
      6.000     4.500     0.000 peak    14 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.275 ppm2      0.999 CV     1
 OR {   14}
   (( segid "    " and resid 3    and name HN  ))
   (  segid "    " and resid 132  and name HB% )
 OR {   14}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 69   and name HG  ))
 ASSI {   15}
   (( segid "    " and resid 3    and name HN  ))
   (  segid "    " and resid 2    and name HG2%)
      6.000     4.500     0.000 peak    15 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.277 ppm2      0.779 CV     1
 OR {   15}
   (( segid "    " and resid 3    and name HN  ))
   (  segid "    " and resid 98   and name HG2%)
 ASSI {   25}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 99   and name HG1 ))
      6.000     4.500     0.000 peak    25 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.974 ppm2      2.191 CV     1
 OR {   25}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 69   and name HB1 ))
 ASSI {   27}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 5    and name HG11))
      6.000     4.500     0.000 peak    27 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.974 ppm2      1.078 CV     1
 OR {   27}
   (( segid "    " and resid 6    and name HN  ))
   (  segid "    " and resid 73   and name HG2%)
 ASSI {   32}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 99   and name HB2 ))
      6.000     4.500     0.000 peak    32 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.967 ppm2      2.311 CV     1
 OR {   32}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 97   and name HB2 ))
 OR {   32}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 99   and name HB1 ))
 ASSI {   33}
   (( segid "    " and resid 6    and name HN  ))
   (  segid "    " and resid 6    and name HB% )
      6.000     4.500     0.000 peak    33 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.970 ppm2      1.751 CV     1
 OR {   33}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 5    and name HB  ))
 ASSI {   37}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 97   and name HN  ))
      6.000     4.500     0.000 peak    37 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.966 ppm2      8.828 CV     1
 OR {   37}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 7    and name HN  ))
 ASSI {   39}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 98   and name HB  ))
      6.000     4.500     0.000 peak    39 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.968 ppm2      2.077 CV     1
 OR {   39}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 124  and name HB1 ))
 OR {   39}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 124  and name HB2 ))
 ASSI {   40}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 98   and name HG12))
      6.000     4.500     0.000 peak    40 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.967 ppm2      1.907 CV     1
 OR {   40}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 25   and name HG  ))
 ASSI {   41}
   (( segid "    " and resid 6    and name HN  ))
   (  segid "    " and resid 58   and name HG2%)
      6.000     4.500     0.000 peak    41 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.968 ppm2      0.969 CV     1
 OR {   41}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 98   and name HG11))
 OR {   41}
   (( segid "    " and resid 6    and name HN  ))
   (  segid "    " and resid 58   and name HG1%)
 OR {   41}
   (( segid "    " and resid 6    and name HN  ))
   (  segid "    " and resid 69   and name HD2%)
 OR {   41}
   (( segid "    " and resid 6    and name HN  ))
   (  segid "    " and resid 69   and name HD1%)
 ASSI {   55}
   (( segid "    " and resid 96   and name HN  ))
   (  segid "    " and resid 5    and name HG2%)
      6.000     4.500     0.000 peak    55 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1     10.552 ppm2      0.817 CV     1
 OR {   55}
   (( segid "    " and resid 96   and name HN  ))
   (  segid "    " and resid 98   and name HG2%)
 ASSI {   82}
   (( segid "    " and resid 106  and name HN  ))
   (( segid "    " and resid 106  and name HA  ))
      6.000     4.500     0.000 peak    82 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.415 ppm2      4.292 CV     1
 OR {   82}
   (( segid "    " and resid 106  and name HN  ))
   (( segid "    " and resid 113  and name HA  ))
 ASSI {   83}
   (( segid "    " and resid 106  and name HN  ))
   (( segid "    " and resid 114  and name HG1 ))
      6.000     4.500     0.000 peak    83 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.417 ppm2      2.424 CV     1
 OR {   83}
   (( segid "    " and resid 106  and name HN  ))
   (( segid "    " and resid 138  and name HB1 ))
 ASSI {   84}
   (( segid "    " and resid 106  and name HN  ))
   (( segid "    " and resid 105  and name HB  ))
      6.000     4.500     0.000 peak    84 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.416 ppm2      2.003 CV     1
 OR {   84}
   (( segid "    " and resid 106  and name HN  ))
   (( segid "    " and resid 114  and name HG2 ))
 OR {   84}
   (( segid "    " and resid 106  and name HN  ))
   (( segid "    " and resid 138  and name HG1 ))
 ASSI {   88}
   (( segid "    " and resid 106  and name HN  ))
   (( segid "    " and resid 106  and name HG12))
      6.000     4.500     0.000 peak    88 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.416 ppm2      1.030 CV     1
 OR {   88}
   (( segid "    " and resid 106  and name HN  ))
   (( segid "    " and resid 106  and name HG11))
 OR {   88}
   (( segid "    " and resid 106  and name HN  ))
   (  segid "    " and resid 105  and name HG1%)
 OR {   88}
   (( segid "    " and resid 106  and name HN  ))
   (  segid "    " and resid 105  and name HG2%)
 ASSI {   96}
   (( segid "    " and resid 106  and name HN  ))
   (( segid "    " and resid 104  and name HB1 ))
      6.000     4.500     0.000 peak    96 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.416 ppm2      2.383 CV     1
 OR {   96}
   (( segid "    " and resid 106  and name HN  ))
   (( segid "    " and resid 138  and name HB1 ))
 ASSI {  103}
   (( segid "    " and resid 132  and name HN  ))
   (  segid "    " and resid 129  and name HD% )
      6.000     4.500     0.000 peak   103 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.322 ppm2      7.223 CV     1
 OR {  103}
   (( segid "    " and resid 132  and name HN  ))
   (( segid "    " and resid 135  and name HN  ))
 ASSI {  111}
   (( segid "    " and resid 132  and name HN  ))
   (( segid "    " and resid 133  and name HA  ))
      6.000     4.500     0.000 peak   111 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.325 ppm2      4.115 CV     1
 OR {  111}
   (( segid "    " and resid 132  and name HN  ))
   (( segid "    " and resid 35   and name HB  ))
 ASSI {  112}
   (( segid "    " and resid 132  and name HN  ))
   (( segid "    " and resid 129  and name HA  ))
      6.000     4.500     0.000 peak   112 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.323 ppm2      3.861 CV     1
 OR {  112}
   (( segid "    " and resid 132  and name HN  ))
   (( segid "    " and resid 130  and name HA  ))
 ASSI {  115}
   (( segid "    " and resid 132  and name HN  ))
   (( segid "    " and resid 130  and name HB2 ))
      6.000     4.500     0.000 peak   115 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.320 ppm2      2.648 CV     1
 OR {  115}
   (( segid "    " and resid 132  and name HN  ))
   (( segid "    " and resid 142  and name HG2 ))
 ASSI {  117}
   (( segid "    " and resid 132  and name HN  ))
   (( segid "    " and resid 130  and name HB1 ))
      6.000     4.500     0.000 peak   117 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.323 ppm2      2.271 CV     1
 OR {  117}
   (( segid "    " and resid 132  and name HN  ))
   (( segid "    " and resid 134  and name HB2 ))
 OR {  117}
   (( segid "    " and resid 132  and name HN  ))
   (( segid "    " and resid 142  and name HB2 ))
 OR {  117}
   (( segid "    " and resid 132  and name HN  ))
   (( segid "    " and resid 99   and name HB2 ))
 ASSI {  123}
   (( segid "    " and resid 132  and name HN  ))
   (  segid "    " and resid 57   and name HB% )
      6.000     4.500     0.000 peak   123 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.320 ppm2      1.338 CV     1
 OR {  123}
   (( segid "    " and resid 132  and name HN  ))
   (( segid "    " and resid 135  and name HB1 ))
 OR {  123}
   (( segid "    " and resid 132  and name HN  ))
   (( segid "    " and resid 143  and name HB1 ))
 ASSI {  124}
   (( segid "    " and resid 132  and name HN  ))
   (  segid "    " and resid 59   and name HB% )
      6.000     4.500     0.000 peak   124 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.320 ppm2      1.240 CV     1
 OR {  124}
   (( segid "    " and resid 132  and name HN  ))
   (  segid "    " and resid 35   and name HG2%)
 ASSI {  135}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 33   and name HB  ))
      6.000     4.500     0.000 peak   135 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.156 ppm2      1.759 CV     1
 OR {  135}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 61   and name HB2 ))
 ASSI {  136}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 60   and name HB2 ))
      6.000     4.500     0.000 peak   136 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.161 ppm2      0.982 CV     1
 OR {  136}
   (( segid "    " and resid 34   and name HN  ))
   (  segid "    " and resid 58   and name HG1%)
 ASSI {  137}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 36   and name HB  ))
      6.000     4.500     0.000 peak   137 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.150 ppm2      1.946 CV     1
 OR {  137}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 58   and name HB  ))
 OR {  137}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 25   and name HG  ))
 ASSI {  139}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 34   and name HN  ))
      6.000     4.500     0.000 peak   139 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.791 ppm2      9.174 CV     1
 OR {  139}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 62   and name HN  ))
 ASSI {  144}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 60   and name HA  ))
      6.000     4.500     0.000 peak   144 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.791 ppm2      4.736 CV     1
 OR {  144}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 61   and name HA  ))
 ASSI {  152}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 60   and name HG  ))
      6.000     4.500     0.000 peak   152 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.791 ppm2      1.274 CV     1
 OR {  152}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 61   and name HB1 ))
 ASSI {  154}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 34   and name HG  ))
      6.000     4.500     0.000 peak   154 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.790 ppm2      0.793 CV     1
 OR {  154}
   (( segid "    " and resid 61   and name HN  ))
   (  segid "    " and resid 28   and name HD1%)
 OR {  154}
   (( segid "    " and resid 61   and name HN  ))
   (  segid "    " and resid 25   and name HD1%)
 ASSI {  156}
   (( segid "    " and resid 61   and name HN  ))
   (  segid "    " and resid 62   and name HG2%)
      6.000     4.500     0.000 peak   156 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.784 ppm2      1.118 CV     1
 OR {  156}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 5    and name HG11))
 ASSI {  158}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 58   and name HN  ))
      6.000     4.500     0.000 peak   158 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.604 ppm2      9.169 CV     1
 OR {  158}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 34   and name HN  ))
 ASSI {  161}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 58   and name HB  ))
      6.000     4.500     0.000 peak   161 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.604 ppm2      1.958 CV     1
 OR {  161}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 127  and name HB2 ))
 ASSI {  173}
   (( segid "    " and resid 59   and name HN  ))
   (  segid "    " and resid 33   and name HD1%)
      6.000     4.500     0.000 peak   173 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.602 ppm2      0.855 CV     1
 OR {  173}
   (( segid "    " and resid 59   and name HN  ))
   (  segid "    " and resid 5    and name HG2%)
 ASSI {  175}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 58   and name HA  ))
      6.000     4.500     0.000 peak   175 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.166 ppm2      4.915 CV     1
 OR {  175}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 32   and name HA  ))
 ASSI {  183}
   (( segid "    " and resid 34   and name HN  ))
   (  segid "    " and resid 59   and name HB% )
      6.000     4.500     0.000 peak   183 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.155 ppm2      1.234 CV     1
 OR {  183}
   (( segid "    " and resid 34   and name HN  ))
   (  segid "    " and resid 35   and name HG2%)
 OR {  183}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 25   and name HB2 ))
 ASSI {  184}
   (( segid "    " and resid 34   and name HN  ))
   (  segid "    " and resid 36   and name HG1%)
      6.000     4.500     0.000 peak   184 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.152 ppm2      1.109 CV     1
 OR {  184}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 5    and name HG11))
 OR {  184}
   (( segid "    " and resid 34   and name HN  ))
   (  segid "    " and resid 62   and name HG2%)
 ASSI {  185}
   (( segid "    " and resid 34   and name HN  ))
   (  segid "    " and resid 33   and name HG2%)
      6.000     4.500     0.000 peak   185 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.158 ppm2      0.786 CV     1
 OR {  185}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 34   and name HG  ))
 ASSI {  188}
   (( segid "    " and resid 2    and name HN  ))
   (( segid "    " and resid 3    and name HN  ))
      6.000     4.500     0.000 peak   188 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.754 ppm2      9.266 CV     1
 OR {  188}
   (( segid "    " and resid 2    and name HN  ))
   (( segid "    " and resid 103  and name HN  ))
 ASSI {  208}
   (( segid "    " and resid 99   and name HN  ))
   (  segid "    " and resid 3    and name HB% )
      6.000     4.500     0.000 peak   208 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.599 ppm2      1.198 CV     1
 OR {  208}
   (( segid "    " and resid 99   and name HN  ))
   (( segid "    " and resid 128  and name HB2 ))
 ASSI {  224}
   (( segid "    " and resid 99   and name HN  ))
   (( segid "    " and resid 128  and name HG  ))
      6.000     6.000     0.000 peak   224 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.582 ppm2      0.291 CV     1
 OR {  224}
   (( segid "    " and resid 99   and name HN  ))
   (  segid "    " and resid 111  and name HD1%)
 ASSI {  227}
   (( segid "    " and resid 113  and name HN  ))
   (( segid "    " and resid 113  and name HA  ))
      6.000     4.500     0.000 peak   227 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.346 ppm2      4.311 CV     1
 OR {  227}
   (( segid "    " and resid 113  and name HN  ))
   (( segid "    " and resid 106  and name HA  ))
 ASSI {  234}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 33   and name HA  ))
      6.000     4.500     0.000 peak   234 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.338 ppm2      3.886 CV     1
 OR {  234}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 25   and name HA  ))
 ASSI {  237}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 60   and name HB1 ))
      6.000     4.500     0.000 peak   237 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.333 ppm2      1.833 CV     1
 OR {  237}
   (( segid "    " and resid 113  and name HN  ))
   (( segid "    " and resid 113  and name HB  ))
 ASSI {  239}
   (( segid "    " and resid 113  and name HN  ))
   (  segid "    " and resid 112  and name HG2%)
      6.000     4.500     0.000 peak   239 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.341 ppm2      1.432 CV     1
 OR {  239}
   (( segid "    " and resid 113  and name HN  ))
   (( segid "    " and resid 106  and name HB  ))
 ASSI {  243}
   (( segid "    " and resid 113  and name HN  ))
   (  segid "    " and resid 111  and name HD1%)
      6.000     4.500     0.000 peak   243 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.337 ppm2      0.294 CV     1
 OR {  243}
   (( segid "    " and resid 60   and name HN  ))
   (  segid "    " and resid 111  and name HD1%)
 ASSI {  251}
   (( segid "    " and resid 60   and name HN  ))
   (  segid "    " and resid 59   and name HB% )
      6.000     4.500     0.000 peak   251 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.328 ppm2      1.239 CV     1
 OR {  251}
   (( segid "    " and resid 60   and name HN  ))
   (  segid "    " and resid 3    and name HB% )
 ASSI {  252}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 60   and name HB2 ))
      6.000     4.500     0.000 peak   252 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.332 ppm2      0.993 CV     1
 OR {  252}
   (( segid "    " and resid 113  and name HN  ))
   (  segid "    " and resid 105  and name HG1%)
 OR {  252}
   (( segid "    " and resid 113  and name HN  ))
   (  segid "    " and resid 105  and name HG2%)
 ASSI {  277}
   (( segid "    " and resid 136  and name HN  ))
   (  segid "    " and resid 100  and name HD1%)
      6.000     4.500     0.000 peak   277 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.411 ppm2      0.682 CV     1
 OR {  277}
   (( segid "    " and resid 143  and name HN  ))
   (( segid "    " and resid 147  and name HB1 ))
 ASSI {  279}
   (( segid "    " and resid 136  and name HN  ))
   (( segid "    " and resid 141  and name HN  ))
      6.000     4.500     0.000 peak   279 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.401 ppm2      7.966 CV     1
 OR {  279}
   (( segid "    " and resid 143  and name HN  ))
   (( segid "    " and resid 141  and name HN  ))
 ASSI {  282}
   (( segid "    " and resid 136  and name HN  ))
   (( segid "    " and resid 135  and name HA  ))
      6.000     4.500     0.000 peak   282 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.405 ppm2      3.836 CV     1
 OR {  282}
   (( segid "    " and resid 143  and name HN  ))
   (( segid "    " and resid 125  and name HA  ))
 ASSI {  284}
   (( segid "    " and resid 136  and name HN  ))
   (( segid "    " and resid 135  and name HB2 ))
      6.000     4.500     0.000 peak   284 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.403 ppm2      1.728 CV     1
 OR {  284}
   (( segid "    " and resid 143  and name HN  ))
   (( segid "    " and resid 135  and name HB2 ))
 ASSI {  285}
   (( segid "    " and resid 136  and name HN  ))
   (( segid "    " and resid 135  and name HG  ))
      6.000     4.500     0.000 peak   285 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.405 ppm2      1.210 CV     1
 OR {  285}
   (( segid "    " and resid 143  and name HN  ))
   (( segid "    " and resid 135  and name HG  ))
 OR {  285}
   (( segid "    " and resid 143  and name HN  ))
   (( segid "    " and resid 128  and name HB2 ))
 ASSI {  287}
   (( segid "    " and resid 136  and name HN  ))
   (  segid "    " and resid 135  and name HD2%)
      6.000     4.500     0.000 peak   287 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.405 ppm2      0.370 CV     1
 OR {  287}
   (( segid "    " and resid 143  and name HN  ))
   (  segid "    " and resid 135  and name HD2%)
 ASSI {  288}
   (( segid "    " and resid 136  and name HN  ))
   (  segid "    " and resid 135  and name HD1%)
      6.000     4.500     0.000 peak   288 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.404 ppm2      0.093 CV     1
 OR {  288}
   (( segid "    " and resid 143  and name HN  ))
   (  segid "    " and resid 135  and name HD1%)
 ASSI {  300}
   (( segid "    " and resid 98   and name HN  ))
   (( segid "    " and resid 111  and name HG  ))
      6.000     4.500     0.000 peak   300 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1     10.994 ppm2      1.057 CV     1
 OR {  300}
   (( segid "    " and resid 98   and name HN  ))
   (  segid "    " and resid 100  and name HD2%)
 ASSI {  301}
   (( segid "    " and resid 98   and name HN  ))
   (( segid "    " and resid 98   and name HG11))
      6.000     4.500     0.000 peak   301 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1     10.990 ppm2      0.945 CV     1
 OR {  301}
   (( segid "    " and resid 98   and name HN  ))
   (  segid "    " and resid 69   and name HD2%)
 ASSI {  302}
   (( segid "    " and resid 98   and name HN  ))
   (  segid "    " and resid 98   and name HG2%)
      6.000     4.500     0.000 peak   302 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1     10.991 ppm2      0.813 CV     1
 OR {  302}
   (( segid "    " and resid 98   and name HN  ))
   (  segid "    " and resid 5    and name HG2%)
 ASSI {  360}
   (( segid "    " and resid 136  and name HN  ))
   (( segid "    " and resid 141  and name HA  ))
      6.000     4.500     0.000 peak   360 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.410 ppm2      4.309 CV     1
 OR {  360}
   (( segid "    " and resid 136  and name HN  ))
   (( segid "    " and resid 137  and name HA  ))
 ASSI {  391}
   (( segid "    " and resid 107  and name HN  ))
   (( segid "    " and resid 105  and name HA  ))
      6.000     4.500     0.000 peak   391 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.193 ppm2      4.670 CV     1
 OR {  391}
   (( segid "    " and resid 107  and name HN  ))
   (( segid "    " and resid 108  and name HB  ))
 ASSI {  396}
   (( segid "    " and resid 107  and name HN  ))
   (( segid "    " and resid 114  and name HG2 ))
      6.000     4.500     0.000 peak   396 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.193 ppm2      2.010 CV     1
 OR {  396}
   (( segid "    " and resid 107  and name HN  ))
   (( segid "    " and resid 105  and name HB  ))
 ASSI {  431}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 84   and name HA  ))
      6.000     4.500     0.000 peak   431 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.704 ppm2      4.309 CV     1
 OR {  431}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 83   and name HA  ))
 ASSI {  450}
   (( segid "    " and resid 101  and name HN  ))
   (( segid "    " and resid 100  and name HB2 ))
      6.000     4.500     0.000 peak   450 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.791 ppm2      1.996 CV     1
 OR {  450}
   (( segid "    " and resid 101  and name HN  ))
   (( segid "    " and resid 138  and name HG1 ))
 OR {  450}
   (( segid "    " and resid 101  and name HN  ))
   (( segid "    " and resid 138  and name HG2 ))
 ASSI {  498}
   (( segid "    " and resid 97   and name HN  ))
   (( segid "    " and resid 96   and name HG  ))
      6.000     4.500     0.000 peak   498 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.843 ppm2      1.592 CV     1
 OR {  498}
   (( segid "    " and resid 97   and name HN  ))
   (( segid "    " and resid 100  and name HG  ))
 ASSI {  517}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 59   and name HN  ))
      6.000     4.500     0.000 peak   517 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.534 ppm2      8.600 CV     1
 OR {  517}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 4    and name HN  ))
 ASSI {  520}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 5    and name HA  ))
      6.000     4.500     0.000 peak   520 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.529 ppm2      4.947 CV     1
 OR {  520}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 58   and name HA  ))
 OR {  520}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 3    and name HA  ))
 ASSI {  522}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 58   and name HB  ))
      6.000     4.500     0.000 peak   522 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.532 ppm2      1.971 CV     1
 OR {  522}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 128  and name HB1 ))
 ASSI {  523}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 5    and name HB  ))
      6.000     4.500     0.000 peak   523 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.530 ppm2      1.742 CV     1
 OR {  523}
   (( segid "    " and resid 5    and name HN  ))
   (  segid "    " and resid 6    and name HB% )
 ASSI {  527}
   (( segid "    " and resid 5    and name HN  ))
   (  segid "    " and resid 58   and name HG2%)
      6.000     4.500     0.000 peak   527 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.532 ppm2      0.970 CV     1
 OR {  527}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 98   and name HG11))
 OR {  527}
   (( segid "    " and resid 5    and name HN  ))
   (  segid "    " and resid 58   and name HG1%)
 ASSI {  528}
   (( segid "    " and resid 5    and name HN  ))
   (  segid "    " and resid 5    and name HG2%)
      6.000     4.500     0.000 peak   528 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.530 ppm2      0.837 CV     1
 OR {  528}
   (( segid "    " and resid 5    and name HN  ))
   (  segid "    " and resid 25   and name HD2%)
 OR {  528}
   (( segid "    " and resid 5    and name HN  ))
   (  segid "    " and resid 25   and name HD1%)
 ASSI {  529}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 58   and name HN  ))
      6.000     4.500     0.000 peak   529 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.524 ppm2      9.152 CV     1
 OR {  529}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 34   and name HN  ))
 ASSI {  532}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 98   and name HB  ))
      6.000     4.500     0.000 peak   532 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.528 ppm2      2.057 CV     1
 OR {  532}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 28   and name HG11))
 OR {  532}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 28   and name HG12))
 ASSI {  540}
   (( segid "    " and resid 97   and name HN  ))
   (  segid "    " and resid 6    and name HB% )
      6.000     4.500     0.000 peak   540 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.844 ppm2      1.757 CV     1
 OR {  540}
   (( segid "    " and resid 97   and name HN  ))
   (( segid "    " and resid 5    and name HB  ))
 ASSI {  560}
   (( segid "    " and resid 112  and name HN  ))
   (( segid "    " and resid 110  and name HA  ))
      6.000     4.500     0.000 peak   560 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.704 ppm2      4.225 CV     1
 OR {  560}
   (( segid "    " and resid 112  and name HN  ))
   (( segid "    " and resid 104  and name HA  ))
 ASSI {  581}
   (( segid "    " and resid 137  and name HN  ))
   (( segid "    " and resid 137  and name HA  ))
      6.000     4.500     0.000 peak   581 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.225 ppm2      4.305 CV     1
 OR {  581}
   (( segid "    " and resid 137  and name HN  ))
   (( segid "    " and resid 141  and name HA  ))
 ASSI {  583}
   (( segid "    " and resid 137  and name HN  ))
   (( segid "    " and resid 135  and name HA  ))
      6.000     4.500     0.000 peak   583 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.220 ppm2      3.837 CV     1
 OR {  583}
   (( segid "    " and resid 137  and name HN  ))
   (( segid "    " and resid 125  and name HA  ))
 ASSI {  589}
   (( segid "    " and resid 137  and name HN  ))
   (( segid "    " and resid 141  and name HG1 ))
      6.000     4.500     0.000 peak   589 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.216 ppm2      2.266 CV     1
 OR {  589}
   (( segid "    " and resid 137  and name HN  ))
   (( segid "    " and resid 142  and name HB2 ))
 ASSI {  604}
   (( segid "    " and resid 137  and name HN  ))
   (( segid "    " and resid 141  and name HG2 ))
      6.000     4.500     0.000 peak   604 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.220 ppm2      2.058 CV     1
 OR {  604}
   (( segid "    " and resid 137  and name HN  ))
   (( segid "    " and resid 142  and name HB1 ))
 ASSI {  618}
   (( segid "    " and resid 115  and name HN  ))
   (( segid "    " and resid 114  and name HD2 ))
      6.000     4.500     0.000 peak   618 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.686 ppm2      3.687 CV     1
 OR {  618}
   (( segid "    " and resid 115  and name HN  ))
   (( segid "    " and resid 115  and name HB1 ))
 ASSI {  620}
   (( segid "    " and resid 115  and name HN  ))
   (( segid "    " and resid 107  and name HB1 ))
      6.000     4.500     0.000 peak   620 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.687 ppm2      2.693 CV     1
 OR {  620}
   (( segid "    " and resid 115  and name HN  ))
   (( segid "    " and resid 103  and name HB2 ))
 ASSI {  623}
   (( segid "    " and resid 115  and name HN  ))
   (( segid "    " and resid 114  and name HG2 ))
      6.000     4.500     0.000 peak   623 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.683 ppm2      2.025 CV     1
 OR {  623}
   (( segid "    " and resid 115  and name HN  ))
   (( segid "    " and resid 138  and name HG1 ))
 ASSI {  624}
   (( segid "    " and resid 115  and name HN  ))
   (( segid "    " and resid 113  and name HB  ))
      6.000     4.500     0.000 peak   624 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.686 ppm2      1.859 CV     1
 OR {  624}
   (( segid "    " and resid 115  and name HN  ))
   (( segid "    " and resid 138  and name HB2 ))
 ASSI {  644}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 17   and name HN  ))
      6.000     4.500     0.000 peak   644 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.296 ppm2      8.157 CV     1
 OR {  644}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 15   and name HN  ))
 ASSI {  650}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 131  and name HA  ))
      6.000     4.500     0.000 peak   650 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.297 ppm2      4.491 CV     1
 OR {  650}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 34   and name HA  ))
 ASSI {  651}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 11   and name HA  ))
      6.000     4.500     0.000 peak   651 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.298 ppm2      4.245 CV     1
 OR {  651}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 17   and name HA  ))
 ASSI {  660}
   (( segid "    " and resid 36   and name HN  ))
   (  segid "    " and resid 58   and name HG1%)
      6.000     4.500     0.000 peak   660 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.295 ppm2      0.972 CV     1
 OR {  660}
   (( segid "    " and resid 36   and name HN  ))
   (  segid "    " and resid 58   and name HG2%)
 OR {  660}
   (( segid "    " and resid 36   and name HN  ))
   (  segid "    " and resid 132  and name HB% )
 ASSI {  661}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 11   and name HG  ))
      6.000     4.500     0.000 peak   661 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.298 ppm2      0.852 CV     1
 OR {  661}
   (( segid "    " and resid 36   and name HN  ))
   (  segid "    " and resid 33   and name HD1%)
 ASSI {  662}
   (( segid "    " and resid 36   and name HN  ))
   (  segid "    " and resid 33   and name HG2%)
      6.000     4.500     0.000 peak   662 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.295 ppm2      0.786 CV     1
 OR {  662}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 94   and name HG  ))
 ASSI {  663}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 54   and name HB1 ))
      6.000     4.500     0.000 peak   663 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.296 ppm2      0.634 CV     1
 OR {  663}
   (( segid "    " and resid 10   and name HN  ))
   (  segid "    " and resid 18   and name HG2%)
 ASSI {  667}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 131  and name HG12))
      6.000     4.500     0.000 peak   667 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.287 ppm2      1.478 CV     1
 OR {  667}
   (( segid "    " and resid 36   and name HN  ))
   (  segid "    " and resid 56   and name HB% )
 OR {  667}
   (( segid "    " and resid 10   and name HN  ))
   (  segid "    " and resid 21   and name HB% )
 OR {  667}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 7    and name HB  ))
 ASSI {  672}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 25   and name HA  ))
      6.000     4.500     0.000 peak   672 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.127 ppm2      3.872 CV     1
 OR {  672}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 26   and name HA2 ))
 ASSI {  689}
   (( segid "    " and resid 153  and name HN  ))
   (( segid "    " and resid 151  and name HA  ))
      6.000     4.500     0.000 peak   689 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.805 ppm2      4.086 CV     1
 OR {  689}
   (( segid "    " and resid 153  and name HN  ))
   (( segid "    " and resid 122  and name HA2 ))
 ASSI {  711}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 24   and name HA  ))
      6.000     4.500     0.000 peak   711 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.126 ppm2      4.172 CV     1
 OR {  711}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 69   and name HA  ))
 ASSI {  728}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 26   and name HA2 ))
      6.000     4.500     0.000 peak   728 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.177 ppm2      3.879 CV     1
 OR {  728}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 33   and name HA  ))
 ASSI {  742}
   (( segid "    " and resid 33   and name HN  ))
   (  segid "    " and resid 33   and name HG2%)
      6.000     4.500     0.000 peak   742 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.175 ppm2      0.771 CV     1
 OR {  742}
   (( segid "    " and resid 33   and name HN  ))
   (  segid "    " and resid 28   and name HD1%)
 ASSI {  757}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 21   and name HN  ))
      6.000     4.500     0.000 peak   757 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.196 ppm2      8.584 CV     1
 OR {  757}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 22   and name HN  ))
 ASSI {  764}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 80   and name HB1 ))
      6.000     4.500     0.000 peak   764 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.196 ppm2      2.320 CV     1
 OR {  764}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 80   and name HB2 ))
 OR {  764}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 17   and name HG2 ))
 ASSI {  770}
   (( segid "    " and resid 20   and name HN  ))
   (  segid "    " and resid 76   and name HG2%)
      6.000     4.500     0.000 peak   770 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.193 ppm2      0.849 CV     1
 OR {  770}
   (( segid "    " and resid 20   and name HN  ))
   (  segid "    " and resid 22   and name HD1%)
 ASSI {  772}
   (( segid "    " and resid 20   and name HN  ))
   (  segid "    " and resid 18   and name HG2%)
      6.000     4.500     0.000 peak   772 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.194 ppm2      0.660 CV     1
 OR {  772}
   (( segid "    " and resid 20   and name HN  ))
   (  segid "    " and resid 7    and name HD1%)
 ASSI {  780}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 54   and name HA  ))
      6.000     4.500     0.000 peak   780 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.934 ppm2      5.369 CV     1
 OR {  780}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 39   and name HA  ))
 ASSI {  784}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 40   and name HB1 ))
      6.000     4.500     0.000 peak   784 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.933 ppm2      3.092 CV     1
 OR {  784}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 158  and name HB2 ))
 ASSI {  785}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 158  and name HB1 ))
      6.000     4.500     0.000 peak   785 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.933 ppm2      2.828 CV     1
 OR {  785}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 39   and name HB1 ))
 ASSI {  787}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 155  and name HB2 ))
      6.000     4.500     0.000 peak   787 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.933 ppm2      1.502 CV     1
 OR {  787}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 41   and name HG2 ))
 ASSI {  789}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 155  and name HG  ))
      6.000     4.500     0.000 peak   789 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.934 ppm2      0.925 CV     1
 OR {  789}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 54   and name HB2 ))
 ASSI {  797}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 20   and name HA  ))
      6.000     4.500     0.000 peak   797 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.595 ppm2      4.186 CV     1
 OR {  797}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 74   and name HA  ))
 ASSI {  798}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 21   and name HA  ))
      6.000     4.500     0.000 peak   798 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.597 ppm2      3.968 CV     1
 OR {  798}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 22   and name HA  ))
 ASSI {  816}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 21   and name HA  ))
      6.000     4.500     0.000 peak   816 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.196 ppm2      3.955 CV     1
 OR {  816}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 22   and name HA  ))
 ASSI {  821}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 22   and name HB2 ))
      6.000     4.500     0.000 peak   821 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.198 ppm2      2.084 CV     1
 OR {  821}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 76   and name HG11))
 OR {  821}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 76   and name HG12))
 ASSI {  831}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 22   and name HB2 ))
      6.000     4.500     0.000 peak   831 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.597 ppm2      2.102 CV     1
 OR {  831}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 76   and name HG11))
 OR {  831}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 76   and name HG12))
 ASSI {  832}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 77   and name HB1 ))
      6.000     4.500     0.000 peak   832 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.593 ppm2      1.879 CV     1
 OR {  832}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 76   and name HB  ))
 OR {  832}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 22   and name HG  ))
 ASSI {  833}
   (( segid "    " and resid 21   and name HN  ))
   (  segid "    " and resid 76   and name HG2%)
      6.000     4.500     0.000 peak   833 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.597 ppm2      0.851 CV     1
 OR {  833}
   (( segid "    " and resid 21   and name HN  ))
   (  segid "    " and resid 22   and name HD1%)
 ASSI {  849}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 30   and name HB1 ))
      6.000     4.500     0.000 peak   849 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.551 ppm2      2.389 CV     1
 OR {  849}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 29   and name HB2 ))
 OR {  849}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 68   and name HG1 ))
 ASSI {  850}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 30   and name HG2 ))
      6.000     4.500     0.000 peak   850 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.547 ppm2      2.160 CV     1
 OR {  850}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 68   and name HB1 ))
 ASSI {  851}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 30   and name HB2 ))
      6.000     4.500     0.000 peak   851 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.550 ppm2      2.016 CV     1
 OR {  851}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 29   and name HG2 ))
 ASSI {  863}
   (( segid "    " and resid 117  and name HN  ))
   (( segid "    " and resid 119  and name HN  ))
      6.000     4.500     0.000 peak   863 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.307 ppm2      8.070 CV     1
 OR {  863}
   (( segid "    " and resid 117  and name HN  ))
   (( segid "    " and resid 120  and name HD21))
 ASSI {  888}
   (( segid "    " and resid 142  and name HN  ))
   (( segid "    " and resid 142  and name HB2 ))
      6.000     4.500     0.000 peak   888 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.268 ppm2      2.274 CV     1
 OR {  888}
   (( segid "    " and resid 142  and name HN  ))
   (( segid "    " and resid 141  and name HG1 ))
 ASSI {  889}
   (( segid "    " and resid 142  and name HN  ))
   (( segid "    " and resid 142  and name HB1 ))
      6.000     4.500     0.000 peak   889 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.268 ppm2      2.066 CV     1
 OR {  889}
   (( segid "    " and resid 142  and name HN  ))
   (( segid "    " and resid 141  and name HG2 ))
 ASSI {  892}
   (( segid "    " and resid 142  and name HN  ))
   (( segid "    " and resid 146  and name HG11))
      6.000     4.500     0.000 peak   892 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.271 ppm2      1.609 CV     1
 OR {  892}
   (( segid "    " and resid 142  and name HN  ))
   (( segid "    " and resid 133  and name HB1 ))
 OR {  892}
   (( segid "    " and resid 142  and name HN  ))
   (( segid "    " and resid 144  and name HG2 ))
 ASSI {  896}
   (( segid "    " and resid 142  and name HN  ))
   (( segid "    " and resid 143  and name HN  ))
      6.000     4.500     0.000 peak   896 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.264 ppm2      8.409 CV     1
 OR {  896}
   (( segid "    " and resid 142  and name HN  ))
   (( segid "    " and resid 136  and name HN  ))
 ASSI {  923}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 58   and name HA  ))
      6.000     4.500     0.000 peak   923 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.210 ppm2      4.948 CV     1
 OR {  923}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 56   and name HA  ))
 ASSI {  931}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 36   and name HB  ))
      6.000     4.500     0.000 peak   931 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.211 ppm2      1.945 CV     1
 OR {  931}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 127  and name HB2 ))
 ASSI {  932}
   (( segid "    " and resid 37   and name HN  ))
   (  segid "    " and resid 57   and name HB% )
      6.000     4.500     0.000 peak   932 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.210 ppm2      1.334 CV     1
 OR {  932}
   (( segid "    " and resid 37   and name HN  ))
   (  segid "    " and resid 36   and name HG2%)
 ASSI {  940}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 91   and name HG2 ))
      6.000     4.500     0.000 peak   940 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.260 ppm2      2.042 CV     1
 OR {  940}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 16   and name HB2 ))
 ASSI {  944}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 43   and name HD1 ))
      6.000     4.500     0.000 peak   944 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.594 ppm2      3.842 CV     1
 OR {  944}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 43   and name HD2 ))
 OR {  944}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 158  and name HA  ))
 ASSI {  945}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 40   and name HB2 ))
      6.000     4.500     0.000 peak   945 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.599 ppm2      2.841 CV     1
 OR {  945}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 156  and name HB1 ))
 ASSI {  956}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 37   and name HN  ))
      6.000     4.500     0.000 peak   956 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.487 ppm2      9.197 CV     1
 OR {  956}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 56   and name HN  ))
 ASSI {  970}
   (( segid "    " and resid 57   and name HN  ))
   (  segid "    " and resid 36   and name HG1%)
      6.000     4.500     0.000 peak   970 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.483 ppm2      1.098 CV     1
 OR {  970}
   (( segid "    " and resid 57   and name HN  ))
   (  segid "    " and resid 22   and name HD2%)
 ASSI {  976}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 55   and name HB1 ))
      6.000     4.500     0.000 peak   976 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.474 ppm2      3.142 CV     1
 OR {  976}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 127  and name HD1 ))
 ASSI {  991}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 40   and name HB2 ))
      6.000     4.500     0.000 peak   991 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.394 ppm2      2.837 CV     1
 OR {  991}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 39   and name HB1 ))
 ASSI {  993}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 157  and name HG2 ))
      6.000     4.500     0.000 peak   993 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.391 ppm2      1.173 CV     1
 OR {  993}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 41   and name HG1 ))
 ASSI {  997}
   (( segid "    " and resid 37   and name HN  ))
   (  segid "    " and resid 56   and name HB% )
      6.000     4.500     0.000 peak   997 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.200 ppm2      1.461 CV     1
 OR {  997}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 131  and name HG12))
 ASSI { 1022}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 39   and name HB1 ))
      6.000     4.500     0.000 peak  1022 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.146 ppm2      2.839 CV     1
 OR { 1022}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 40   and name HB2 ))
 OR { 1022}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 158  and name HB1 ))
 ASSI { 1040}
   (( segid "    " and resid 88   and name HN  ))
   (( segid "    " and resid 87   and name HG1 ))
      6.000     4.500     0.000 peak  1040 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.376 ppm2      2.173 CV     1
 OR { 1040}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 68   and name HB1 ))
 ASSI { 1045}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 64   and name HG  ))
      6.000     4.500     0.000 peak  1045 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.376 ppm2      0.749 CV     1
 OR { 1045}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 66   and name HG1 ))
 ASSI { 1058}
   (( segid "    " and resid 146  and name HN  ))
   (( segid "    " and resid 143  and name HA  ))
      6.000     4.500     0.000 peak  1058 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.876 ppm2      4.095 CV     1
 OR { 1058}
   (( segid "    " and resid 146  and name HN  ))
   (( segid "    " and resid 122  and name HA2 ))
 ASSI { 1062}
   (( segid "    " and resid 146  and name HN  ))
   (( segid "    " and resid 142  and name HB2 ))
      6.000     4.500     0.000 peak  1062 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.880 ppm2      2.285 CV     1
 OR { 1062}
   (( segid "    " and resid 146  and name HN  ))
   (( segid "    " and resid 141  and name HG1 ))
 ASSI { 1089}
   (( segid "    " and resid 135  and name HN  ))
   (( segid "    " and resid 135  and name HB2 ))
      6.000     4.500     0.000 peak  1089 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.245 ppm2      1.737 CV     1
 OR { 1089}
   (( segid "    " and resid 135  and name HN  ))
   (( segid "    " and resid 134  and name HB1 ))
 ASSI { 1090}
   (( segid "    " and resid 135  and name HN  ))
   (( segid "    " and resid 133  and name HB1 ))
      6.000     4.500     0.000 peak  1090 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.245 ppm2      1.599 CV     1
 OR { 1090}
   (( segid "    " and resid 135  and name HN  ))
   (( segid "    " and resid 100  and name HG  ))
 ASSI { 1098}
   (( segid "    " and resid 56   and name HN  ))
   (  segid "    " and resid 57   and name HB% )
      6.000     4.500     0.000 peak  1098 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.206 ppm2      1.334 CV     1
 OR { 1098}
   (( segid "    " and resid 56   and name HN  ))
   (  segid "    " and resid 36   and name HG2%)
 ASSI { 1113}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 29   and name HD2 ))
      6.000     4.500     0.000 peak  1113 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.253 ppm2      3.624 CV     1
 OR { 1113}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 66   and name HD2 ))
 ASSI { 1114}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 30   and name HB1 ))
      6.000     4.500     0.000 peak  1114 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.253 ppm2      2.398 CV     1
 OR { 1114}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 29   and name HB2 ))
 ASSI { 1115}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 30   and name HG2 ))
      6.000     4.500     0.000 peak  1115 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.254 ppm2      2.157 CV     1
 OR { 1115}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 68   and name HB1 ))
 ASSI { 1139}
   (( segid "    " and resid 146  and name HN  ))
   (  segid "    " and resid 149  and name HG2%)
      6.000     4.500     0.000 peak  1139 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.881 ppm2      1.277 CV     1
 OR { 1139}
   (( segid "    " and resid 146  and name HN  ))
   (( segid "    " and resid 119  and name HG2 ))
 ASSI { 1148}
   (( segid "    " and resid 155  and name HN  ))
   (( segid "    " and resid 40   and name HB2 ))
      6.000     4.500     0.000 peak  1148 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.445 ppm2      2.848 CV     1
 OR { 1148}
   (( segid "    " and resid 155  and name HN  ))
   (( segid "    " and resid 156  and name HB1 ))
 ASSI { 1169}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 127  and name HB2 ))
      6.000     4.500     0.000 peak  1169 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.208 ppm2      1.956 CV     1
 OR { 1169}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 58   and name HB  ))
 ASSI { 1170}
   (( segid "    " and resid 56   and name HN  ))
   (  segid "    " and resid 18   and name HG2%)
      6.000     4.500     0.000 peak  1170 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.204 ppm2      0.661 CV     1
 OR { 1170}
   (( segid "    " and resid 56   and name HN  ))
   (  segid "    " and resid 7    and name HD1%)
 ASSI { 1186}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 56   and name HN  ))
      6.000     4.500     0.000 peak  1186 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.827 ppm2      9.179 CV     1
 OR { 1186}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 58   and name HN  ))
 ASSI { 1191}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 124  and name HB1 ))
      6.000     4.500     0.000 peak  1191 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.828 ppm2      2.075 CV     1
 OR { 1191}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 96   and name HB1 ))
 OR { 1191}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 124  and name HB2 ))
 ASSI { 1193}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 7    and name HB  ))
      6.000     4.500     0.000 peak  1193 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.829 ppm2      1.463 CV     1
 OR { 1193}
   (( segid "    " and resid 7    and name HN  ))
   (  segid "    " and resid 56   and name HB% )
 ASSI { 1195}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 128  and name HB2 ))
      6.000     6.000     0.000 peak  1195 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.832 ppm2      1.219 CV     1
 OR { 1195}
   (( segid "    " and resid 7    and name HN  ))
   (  segid "    " and resid 59   and name HB% )
 OR { 1195}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 25   and name HB2 ))
 ASSI { 1197}
   (( segid "    " and resid 7    and name HN  ))
   (  segid "    " and resid 5    and name HG2%)
      6.000     4.500     0.000 peak  1197 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.829 ppm2      0.819 CV     1
 OR { 1197}
   (( segid "    " and resid 7    and name HN  ))
   (  segid "    " and resid 25   and name HD2%)
 OR { 1197}
   (( segid "    " and resid 7    and name HN  ))
   (  segid "    " and resid 25   and name HD1%)
 ASSI { 1220}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 25   and name HA  ))
      6.000     4.500     0.000 peak  1220 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.010 ppm2      3.889 CV     1
 OR { 1220}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 26   and name HA2 ))
 ASSI { 1222}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 25   and name HG  ))
      6.000     4.500     0.000 peak  1222 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.012 ppm2      1.935 CV     1
 OR { 1222}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 23   and name HB1 ))
 OR { 1222}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 23   and name HB2 ))
 ASSI { 1227}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 22   and name HA  ))
      6.000     4.500     0.000 peak  1227 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.005 ppm2      3.951 CV     1
 OR { 1227}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 21   and name HA  ))
 OR { 1227}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 23   and name HA  ))
 ASSI { 1228}
   (( segid "    " and resid 25   and name HN  ))
   (  segid "    " and resid 58   and name HG1%)
      6.000     4.500     0.000 peak  1228 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.003 ppm2      0.987 CV     1
 OR { 1228}
   (( segid "    " and resid 25   and name HN  ))
   (  segid "    " and resid 58   and name HG2%)
 OR { 1228}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 69   and name HG  ))
 OR { 1228}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 60   and name HB2 ))
 ASSI { 1244}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 71   and name HB1 ))
      6.000     4.500     0.000 peak  1244 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.880 ppm2      2.595 CV     1
 OR { 1244}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 77   and name HB2 ))
 ASSI { 1247}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 76   and name HG12))
      6.000     4.500     0.000 peak  1247 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.883 ppm2      2.071 CV     1
 OR { 1247}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 96   and name HB1 ))
 OR { 1247}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 76   and name HG11))
 ASSI { 1248}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 75   and name HB2 ))
      6.000     4.500     0.000 peak  1248 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.878 ppm2      1.894 CV     1
 OR { 1248}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 76   and name HB  ))
 ASSI { 1249}
   (( segid "    " and resid 74   and name HN  ))
   (  segid "    " and resid 24   and name HB% )
      6.000     4.500     0.000 peak  1249 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.883 ppm2      1.515 CV     1
 OR { 1249}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 78   and name HB2 ))
 ASSI { 1251}
   (( segid "    " and resid 74   and name HN  ))
   (  segid "    " and resid 70   and name HD2%)
      6.000     4.500     0.000 peak  1251 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.879 ppm2      0.710 CV     1
 OR { 1251}
   (( segid "    " and resid 74   and name HN  ))
   (  segid "    " and resid 94   and name HD2%)
 OR { 1251}
   (( segid "    " and resid 74   and name HN  ))
   (  segid "    " and resid 94   and name HD1%)
 ASSI { 1293}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 18   and name HB  ))
      6.000     4.500     0.000 peak  1293 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.195 ppm2      1.571 CV     1
 OR { 1293}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 15   and name HB2 ))
 ASSI { 1295}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 75   and name HN  ))
      6.000     4.500     0.000 peak  1295 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.076 ppm2      7.634 CV     1
 OR { 1295}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 78   and name HN  ))
 ASSI { 1305}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 74   and name HG2 ))
      6.000     4.500     0.000 peak  1305 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.645 ppm2      2.938 CV     1
 OR { 1305}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 72   and name HB1 ))
 ASSI { 1306}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 71   and name HB1 ))
      6.000     4.500     0.000 peak  1306 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.648 ppm2      2.619 CV     1
 OR { 1306}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 79   and name HG2 ))
 OR { 1306}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 77   and name HB2 ))
 ASSI { 1319}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 17   and name HG2 ))
      6.000     4.500     0.000 peak  1319 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.199 ppm2      2.321 CV     1
 OR { 1319}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 17   and name HG1 ))
 OR { 1319}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 16   and name HG1 ))
 ASSI { 1321}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 77   and name HB1 ))
      6.000     4.500     0.000 peak  1321 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.191 ppm2      1.856 CV     1
 OR { 1321}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 76   and name HB  ))
 ASSI { 1328}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 75   and name HD2 ))
      6.000     4.500     0.000 peak  1328 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.079 ppm2      3.310 CV     1
 OR { 1328}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 18   and name HA  ))
 ASSI { 1331}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 76   and name HB  ))
      6.000     4.500     0.000 peak  1331 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.075 ppm2      1.879 CV     1
 OR { 1331}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 75   and name HB2 ))
 ASSI { 1332}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 75   and name HG2 ))
      6.000     4.500     0.000 peak  1332 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.077 ppm2      1.525 CV     1
 OR { 1332}
   (( segid "    " and resid 76   and name HN  ))
   (  segid "    " and resid 24   and name HB% )
 OR { 1332}
   (( segid "    " and resid 76   and name HN  ))
   (  segid "    " and resid 20   and name HB% )
 ASSI { 1351}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 75   and name HB2 ))
      6.000     4.500     0.000 peak  1351 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.644 ppm2      1.876 CV     1
 OR { 1351}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 76   and name HB  ))
 ASSI { 1353}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 75   and name HG2 ))
      6.000     4.500     0.000 peak  1353 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.641 ppm2      1.549 CV     1
 OR { 1353}
   (( segid "    " and resid 75   and name HN  ))
   (  segid "    " and resid 24   and name HB% )
 ASSI { 1373}
   (( segid "    " and resid 141  and name HN  ))
   (( segid "    " and resid 137  and name HB1 ))
      6.000     4.500     0.000 peak  1373 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.993 ppm2      3.248 CV     1
 OR { 1373}
   (( segid "    " and resid 141  and name HN  ))
   (( segid "    " and resid 148  and name HB2 ))
 OR { 1373}
   (( segid "    " and resid 141  and name HN  ))
   (( segid "    " and resid 144  and name HD1 ))
 ASSI { 1404}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 1    and name HG21))
      6.000     4.500     0.000 peak  1404 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.216 ppm2      0.514 CV     1
 OR { 1404}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 66   and name HB1 ))
 ASSI { 1411}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 60   and name HA  ))
      6.000     4.500     0.000 peak  1411 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.211 ppm2      4.753 CV     1
 OR { 1411}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 100  and name HA  ))
 ASSI { 1416}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 61   and name HG1 ))
      6.000     4.500     0.000 peak  1416 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.207 ppm2      2.193 CV     1
 OR { 1416}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 69   and name HB1 ))
 ASSI { 1418}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 61   and name HB2 ))
      6.000     4.500     0.000 peak  1418 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.209 ppm2      1.745 CV     1
 OR { 1418}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 2    and name HB  ))
 ASSI { 1419}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 5    and name HG12))
      6.000     4.500     0.000 peak  1419 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.208 ppm2      1.511 CV     1
 OR { 1419}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 28   and name HB  ))
 ASSI { 1420}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 60   and name HG  ))
      6.000     4.500     0.000 peak  1420 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.211 ppm2      1.254 CV     1
 OR { 1420}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 66   and name HB2 ))
 ASSI { 1423}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 64   and name HG  ))
      6.000     4.500     0.000 peak  1423 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.209 ppm2      0.769 CV     1
 OR { 1423}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 66   and name HG1 ))
 OR { 1423}
   (( segid "    " and resid 62   and name HN  ))
   (  segid "    " and resid 98   and name HG2%)
 ASSI { 1425}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 1    and name HB  ))
      6.000     4.500     0.000 peak  1425 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.200 ppm2      3.551 CV     1
 OR { 1425}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 31   and name HB1 ))
 OR { 1425}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 31   and name HB2 ))
 ASSI { 1453}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 67   and name HA  ))
      6.000     4.500     0.000 peak  1453 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.168 ppm2      3.624 CV     1
 OR { 1453}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 66   and name HD2 ))
 OR { 1453}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 29   and name HD2 ))
 ASSI { 1456}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 64   and name HB1 ))
      6.000     4.500     0.000 peak  1456 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.168 ppm2      1.728 CV     1
 OR { 1456}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 66   and name HG2 ))
 ASSI { 1463}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 22   and name HN  ))
      6.000     4.500     0.000 peak  1463 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.901 ppm2      8.566 CV     1
 OR { 1463}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 21   and name HN  ))
 ASSI { 1476}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 21   and name HA  ))
      6.000     4.500     0.000 peak  1476 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.899 ppm2      3.967 CV     1
 OR { 1476}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 23   and name HA  ))
 ASSI { 1480}
   (( segid "    " and resid 24   and name HN  ))
   (  segid "    " and resid 76   and name HG2%)
      6.000     4.500     0.000 peak  1480 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.898 ppm2      0.843 CV     1
 OR { 1480}
   (( segid "    " and resid 24   and name HN  ))
   (  segid "    " and resid 25   and name HD1%)
 OR { 1480}
   (( segid "    " and resid 24   and name HN  ))
   (  segid "    " and resid 25   and name HD2%)
 ASSI { 1499}
   (( segid "    " and resid 156  and name HN  ))
   (( segid "    " and resid 156  and name HB1 ))
      6.000     4.500     0.000 peak  1499 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.080 ppm2      2.863 CV     1
 OR { 1499}
   (( segid "    " and resid 156  and name HN  ))
   (( segid "    " and resid 40   and name HB2 ))
 ASSI { 1517}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 67   and name HB2 ))
      6.000     4.500     0.000 peak  1517 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.169 ppm2      1.848 CV     1
 OR { 1517}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 67   and name HB1 ))
 OR { 1517}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 70   and name HB1 ))
 ASSI { 1521}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 22   and name HN  ))
      6.000     4.500     0.000 peak  1521 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.748 ppm2      8.568 CV     1
 OR { 1521}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 21   and name HN  ))
 ASSI { 1524}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 20   and name HA  ))
      6.000     4.500     0.000 peak  1524 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.754 ppm2      4.195 CV     1
 OR { 1524}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 24   and name HA  ))
 ASSI { 1525}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 23   and name HA  ))
      6.000     4.500     0.000 peak  1525 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.751 ppm2      3.969 CV     1
 OR { 1525}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 22   and name HA  ))
 ASSI { 1526}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 25   and name HA  ))
      6.000     6.000     0.000 peak  1526 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.752 ppm2      3.852 CV     1
 OR { 1526}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 26   and name HA2 ))
 ASSI { 1531}
   (( segid "    " and resid 23   and name HN  ))
   (  segid "    " and resid 22   and name HD2%)
      6.000     4.500     0.000 peak  1531 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.747 ppm2      1.086 CV     1
 OR { 1531}
   (( segid "    " and resid 23   and name HN  ))
   (  segid "    " and resid 73   and name HG2%)
 ASSI { 1568}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 51   and name HA  ))
      6.000     4.500     0.000 peak  1568 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.521 ppm2      4.434 CV     1
 OR { 1568}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 93   and name HA  ))
 ASSI { 1572}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 48   and name HA  ))
      6.000     4.500     0.000 peak  1572 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.509 ppm2      4.226 CV     1
 OR { 1572}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 17   and name HA  ))
 ASSI { 1595}
   (( segid "    " and resid 92   and name HN  ))
   (( segid "    " and resid 91   and name HG1 ))
      6.000     4.500     0.000 peak  1595 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.807 ppm2      1.957 CV     1
 OR { 1595}
   (( segid "    " and resid 92   and name HN  ))
   (( segid "    " and resid 87   and name HB2 ))
 ASSI { 1606}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 15   and name HG  ))
      6.000     4.500     0.000 peak  1606 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.521 ppm2      0.912 CV     1
 OR { 1606}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 54   and name HB2 ))
 OR { 1606}
   (( segid "    " and resid 18   and name HN  ))
   (  segid "    " and resid 96   and name HD2%)
 OR { 1606}
   (( segid "    " and resid 18   and name HN  ))
   (  segid "    " and resid 96   and name HD1%)
 ASSI { 1618}
   (( segid "    " and resid 118  and name HN  ))
   (( segid "    " and resid 117  and name HN  ))
      6.000     4.500     0.000 peak  1618 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.553 ppm2      8.306 CV     1
 OR { 1618}
   (( segid "    " and resid 151  and name HN  ))
   (( segid "    " and resid 149  and name HN  ))
 ASSI { 1623}
   (( segid "    " and resid 118  and name HN  ))
   (( segid "    " and resid 117  and name HA  ))
      6.000     4.500     0.000 peak  1623 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.551 ppm2      5.034 CV     1
 OR { 1623}
   (( segid "    " and resid 151  and name HN  ))
   (( segid "    " and resid 120  and name HA  ))
 ASSI { 1625}
   (( segid "    " and resid 151  and name HN  ))
   (( segid "    " and resid 147  and name HA  ))
      6.000     4.500     0.000 peak  1625 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.551 ppm2      3.685 CV     1
 OR { 1625}
   (( segid "    " and resid 118  and name HN  ))
   (( segid "    " and resid 115  and name HB1 ))
 ASSI { 1627}
   (( segid "    " and resid 118  and name HN  ))
   (( segid "    " and resid 115  and name HB2 ))
      6.000     4.500     0.000 peak  1627 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.551 ppm2      2.985 CV     1
 OR { 1627}
   (( segid "    " and resid 118  and name HN  ))
   (( segid "    " and resid 120  and name HB2 ))
 ASSI { 1635}
   (( segid "    " and resid 118  and name HN  ))
   (  segid "    " and resid 125  and name HD1%)
      6.000     4.500     0.000 peak  1635 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.551 ppm2      0.471 CV     1
 OR { 1635}
   (( segid "    " and resid 118  and name HN  ))
   (( segid "    " and resid 119  and name HG1 ))
 ASSI { 1672}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 12   and name HN  ))
      6.000     4.500     0.000 peak  1672 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.303 ppm2      8.299 CV     1
 OR { 1672}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 10   and name HN  ))
 ASSI { 1682}
   (( segid "    " and resid 129  and name HN  ))
   (( segid "    " and resid 133  and name HA  ))
      6.000     4.500     0.000 peak  1682 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.635 ppm2      4.119 CV     1
 OR { 1682}
   (( segid "    " and resid 129  and name HN  ))
   (( segid "    " and resid 143  and name HA  ))
 ASSI { 1686}
   (( segid "    " and resid 129  and name HN  ))
   (( segid "    " and resid 131  and name HG12))
      6.000     4.500     0.000 peak  1686 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.631 ppm2      1.494 CV     1
 OR { 1686}
   (( segid "    " and resid 129  and name HN  ))
   (( segid "    " and resid 133  and name HB2 ))
 ASSI { 1687}
   (( segid "    " and resid 129  and name HN  ))
   (( segid "    " and resid 143  and name HG  ))
      6.000     4.500     0.000 peak  1687 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.633 ppm2      0.947 CV     1
 OR { 1687}
   (( segid "    " and resid 129  and name HN  ))
   (( segid "    " and resid 125  and name HB1 ))
 ASSI { 1692}
   (( segid "    " and resid 129  and name HN  ))
   (( segid "    " and resid 131  and name HG11))
      6.000     4.500     0.000 peak  1692 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.623 ppm2      1.587 CV     1
 OR { 1692}
   (( segid "    " and resid 129  and name HN  ))
   (( segid "    " and resid 133  and name HB1 ))
 OR { 1692}
   (( segid "    " and resid 129  and name HN  ))
   (( segid "    " and resid 144  and name HG2 ))
 ASSI { 1693}
   (( segid "    " and resid 129  and name HN  ))
   (  segid "    " and resid 57   and name HB% )
      6.000     4.500     0.000 peak  1693 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.623 ppm2      1.322 CV     1
 OR { 1693}
   (( segid "    " and resid 129  and name HN  ))
   (( segid "    " and resid 143  and name HB1 ))
 ASSI { 1698}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 48   and name HA  ))
      6.000     4.500     0.000 peak  1698 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.517 ppm2      4.242 CV     1
 OR { 1698}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 46   and name HA2 ))
 ASSI { 1703}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 48   and name HB2 ))
      6.000     4.500     0.000 peak  1703 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.516 ppm2      2.009 CV     1
 OR { 1703}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 47   and name HG2 ))
 OR { 1703}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 47   and name HG1 ))
 ASSI { 1719}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 51   and name HD2 ))
      6.000     4.500     0.000 peak  1719 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.620 ppm2      3.756 CV     1
 OR { 1719}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 44   and name HD2 ))
 ASSI { 1725}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 48   and name HB2 ))
      6.000     4.500     0.000 peak  1725 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.620 ppm2      2.003 CV     1
 OR { 1725}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 44   and name HG1 ))
 ASSI { 1749}
   (( segid "    " and resid 129  and name HN  ))
   (( segid "    " and resid 130  and name HB1 ))
      6.000     4.500     0.000 peak  1749 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.607 ppm2      2.290 CV     1
 OR { 1749}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 101  and name HB2 ))
 OR { 1749}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 99   and name HB2 ))
 OR { 1749}
   (( segid "    " and resid 129  and name HN  ))
   (( segid "    " and resid 130  and name HG2 ))
 ASSI { 1750}
   (( segid "    " and resid 129  and name HN  ))
   (( segid "    " and resid 128  and name HB1 ))
      6.000     4.500     0.000 peak  1750 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.613 ppm2      1.999 CV     1
 OR { 1750}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 100  and name HB2 ))
 ASSI { 1751}
   (( segid "    " and resid 4    and name HN  ))
   (  segid "    " and resid 3    and name HB% )
      6.000     4.500     0.000 peak  1751 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.605 ppm2      1.213 CV     1
 OR { 1751}
   (( segid "    " and resid 129  and name HN  ))
   (( segid "    " and resid 128  and name HB2 ))
 OR { 1751}
   (( segid "    " and resid 4    and name HN  ))
   (  segid "    " and resid 59   and name HB% )
 ASSI { 1752}
   (( segid "    " and resid 4    and name HN  ))
   (  segid "    " and resid 100  and name HD2%)
      6.000     4.500     0.000 peak  1752 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.609 ppm2      1.078 CV     1
 OR { 1752}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 5    and name HG11))
 OR { 1752}
   (( segid "    " and resid 129  and name HN  ))
   (( segid "    " and resid 125  and name HB2 ))
 OR { 1752}
   (( segid "    " and resid 4    and name HN  ))
   (  segid "    " and resid 62   and name HG2%)
 ASSI { 1753}
   (( segid "    " and resid 4    and name HN  ))
   (  segid "    " and resid 113  and name HG1%)
      6.000     4.500     0.000 peak  1753 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.605 ppm2      0.862 CV     1
 OR { 1753}
   (( segid "    " and resid 129  and name HN  ))
   (( segid "    " and resid 147  and name HG  ))
 OR { 1753}
   (( segid "    " and resid 4    and name HN  ))
   (  segid "    " and resid 33   and name HD1%)
 ASSI { 1754}
   (( segid "    " and resid 4    and name HN  ))
   (  segid "    " and resid 100  and name HD1%)
      6.000     4.500     0.000 peak  1754 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.608 ppm2      0.664 CV     1
 OR { 1754}
   (( segid "    " and resid 4    and name HN  ))
   (  segid "    " and resid 60   and name HD2%)
 ASSI { 1755}
   (( segid "    " and resid 129  and name HN  ))
   (( segid "    " and resid 128  and name HG  ))
      6.000     4.500     0.000 peak  1755 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.615 ppm2      0.283 CV     1
 OR { 1755}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 128  and name HG  ))
 ASSI { 1757}
   (( segid "    " and resid 129  and name HN  ))
   (( segid "    " and resid 126  and name HN  ))
      6.000     4.500     0.000 peak  1757 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.602 ppm2      8.748 CV     1
 OR { 1757}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 2    and name HN  ))
 ASSI { 1763}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 2    and name HB  ))
      6.000     4.500     0.000 peak  1763 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.600 ppm2      1.767 CV     1
 OR { 1763}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 135  and name HB2 ))
 OR { 1763}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 66   and name HG2 ))
 ASSI { 1764}
   (( segid "    " and resid 4    and name HN  ))
   (  segid "    " and resid 2    and name HG1%)
      6.000     4.500     0.000 peak  1764 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.599 ppm2      0.114 CV     1
 OR { 1764}
   (( segid "    " and resid 4    and name HN  ))
   (  segid "    " and resid 135  and name HD1%)
 ASSI { 1767}
   (( segid "    " and resid 150  and name HN  ))
   (( segid "    " and resid 151  and name HN  ))
      6.000     4.500     0.000 peak  1767 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.849 ppm2      7.555 CV     1
 OR { 1767}
   (( segid "    " and resid 150  and name HN  ))
   (( segid "    " and resid 148  and name HN  ))
 ASSI { 1772}
   (( segid "    " and resid 150  and name HN  ))
   (( segid "    " and resid 150  and name HA  ))
      6.000     4.500     0.000 peak  1772 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.849 ppm2      4.040 CV     1
 OR { 1772}
   (( segid "    " and resid 150  and name HN  ))
   (( segid "    " and resid 149  and name HA  ))
 ASSI { 1775}
   (( segid "    " and resid 150  and name HN  ))
   (( segid "    " and resid 150  and name HB1 ))
      6.000     4.500     0.000 peak  1775 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.848 ppm2      1.256 CV     1
 OR { 1775}
   (( segid "    " and resid 150  and name HN  ))
   (  segid "    " and resid 149  and name HG2%)
 ASSI { 1778}
   (( segid "    " and resid 150  and name HN  ))
   (( segid "    " and resid 148  and name HD2 ))
      6.000     4.500     0.000 peak  1778 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.842 ppm2      7.001 CV     1
 OR { 1778}
   (( segid "    " and resid 150  and name HN  ))
   (( segid "    " and resid 121  and name HN  ))
 ASSI { 1790}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 67   and name HA  ))
      6.000     4.500     0.000 peak  1790 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.818 ppm2      3.642 CV     1
 OR { 1790}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 29   and name HD2 ))
 ASSI { 1792}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 69   and name HB1 ))
      6.000     4.500     0.000 peak  1792 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.811 ppm2      2.187 CV     1
 OR { 1792}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 68   and name HB1 ))
 ASSI { 1794}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 110  and name HB2 ))
      6.000     4.500     0.000 peak  1794 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.814 ppm2      1.608 CV     1
 OR { 1794}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 96   and name HG  ))
 ASSI { 1795}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 70   and name HB2 ))
      6.000     4.500     0.000 peak  1795 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.813 ppm2      0.987 CV     1
 OR { 1795}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 69   and name HG  ))
 ASSI { 1796}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 66   and name HG1 ))
      6.000     4.500     0.000 peak  1796 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.812 ppm2      0.773 CV     1
 OR { 1796}
   (( segid "    " and resid 70   and name HN  ))
   (  segid "    " and resid 28   and name HD1%)
 OR { 1796}
   (( segid "    " and resid 70   and name HN  ))
   (  segid "    " and resid 98   and name HG2%)
 ASSI { 1809}
   (( segid "    " and resid 121  and name HN  ))
   (( segid "    " and resid 119  and name HA  ))
      6.000     4.500     0.000 peak  1809 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.037 ppm2      3.815 CV     1
 OR { 1809}
   (( segid "    " and resid 121  and name HN  ))
   (( segid "    " and resid 118  and name HA  ))
 ASSI { 1810}
   (( segid "    " and resid 121  and name HN  ))
   (( segid "    " and resid 120  and name HB1 ))
      6.000     4.500     0.000 peak  1810 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.036 ppm2      2.552 CV     1
 OR { 1810}
   (( segid "    " and resid 121  and name HN  ))
   (( segid "    " and resid 121  and name HD1 ))
 ASSI { 1812}
   (( segid "    " and resid 121  and name HN  ))
   (( segid "    " and resid 119  and name HG2 ))
      6.000     4.500     0.000 peak  1812 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.032 ppm2      1.250 CV     1
 OR { 1812}
   (( segid "    " and resid 121  and name HN  ))
   (( segid "    " and resid 150  and name HB1 ))
 ASSI { 1820}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 3    and name HN  ))
      6.000     4.500     0.000 peak  1820 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.600 ppm2      9.279 CV     1
 OR { 1820}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 103  and name HN  ))
 ASSI { 1838}
   (( segid "    " and resid 121  and name HN  ))
   (( segid "    " and resid 118  and name HG2 ))
      6.000     4.500     0.000 peak  1838 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.036 ppm2      2.157 CV     1
 OR { 1838}
   (( segid "    " and resid 121  and name HN  ))
   (( segid "    " and resid 124  and name HG1 ))
 OR { 1838}
   (( segid "    " and resid 121  and name HN  ))
   (( segid "    " and resid 124  and name HG2 ))
 ASSI { 1842}
   (( segid "    " and resid 121  and name HN  ))
   (  segid "    " and resid 125  and name HD1%)
      6.000     4.500     0.000 peak  1842 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.036 ppm2      0.470 CV     1
 OR { 1842}
   (( segid "    " and resid 121  and name HN  ))
   (( segid "    " and resid 119  and name HG1 ))
 ASSI { 1849}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 18   and name HN  ))
      6.000     4.500     0.000 peak  1849 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.428 ppm2      8.539 CV     1
 OR { 1849}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 22   and name HN  ))
 ASSI { 1866}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 51   and name HB2 ))
      6.000     4.500     0.000 peak  1866 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.997 ppm2      2.023 CV     1
 OR { 1866}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 44   and name HG1 ))
 ASSI { 1871}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 48   and name HE22))
      6.000     4.500     0.000 peak  1871 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.976 ppm2      7.610 CV     1
 OR { 1871}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 50   and name HN  ))
 ASSI { 1876}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 76   and name HG12))
      6.000     4.500     0.000 peak  1876 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.734 ppm2      2.056 CV     1
 OR { 1876}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 28   and name HG12))
 OR { 1876}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 76   and name HG11))
 OR { 1876}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 96   and name HB1 ))
 ASSI { 1880}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 72   and name HD2 ))
      6.000     4.500     0.000 peak  1880 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.723 ppm2      7.202 CV     1
 OR { 1880}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 71   and name HD21))
 ASSI { 1884}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 73   and name HB  ))
      6.000     4.500     0.000 peak  1884 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.721 ppm2      3.884 CV     1
 OR { 1884}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 25   and name HA  ))
 ASSI { 1891}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 70   and name HB1 ))
      6.000     4.500     0.000 peak  1891 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.728 ppm2      1.859 CV     1
 OR { 1891}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 76   and name HB  ))
 ASSI { 1893}
   (( segid "    " and resid 72   and name HN  ))
   (  segid "    " and resid 69   and name HD1%)
      6.000     4.500     0.000 peak  1893 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.725 ppm2      0.933 CV     1
 OR { 1893}
   (( segid "    " and resid 72   and name HN  ))
   (  segid "    " and resid 96   and name HD2%)
 OR { 1893}
   (( segid "    " and resid 72   and name HN  ))
   (  segid "    " and resid 96   and name HD1%)
 ASSI { 1898}
   (( segid "    " and resid 122  and name HN  ))
   (( segid "    " and resid 123  and name HN  ))
      6.000     4.500     0.000 peak  1898 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.310 ppm2      7.061 CV     1
 OR { 1898}
   (( segid "    " and resid 122  and name HN  ))
   (  segid "    " and resid 152  and name HD% )
 ASSI { 1901}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 23   and name HD1 ))
      6.000     4.500     0.000 peak  1901 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.570 ppm2      1.694 CV     1
 OR { 1901}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 23   and name HD2 ))
 OR { 1901}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 94   and name HB1 ))
 ASSI { 1907}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 17   and name HG2 ))
      6.000     4.500     0.000 peak  1907 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.438 ppm2      2.325 CV     1
 OR { 1907}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 17   and name HG1 ))
 OR { 1907}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 80   and name HB1 ))
 OR { 1907}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 80   and name HB2 ))
 ASSI { 1923}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 78   and name HN  ))
      6.000     4.500     0.000 peak  1923 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.298 ppm2      7.626 CV     1
 OR { 1923}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 75   and name HN  ))
 ASSI { 1927}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 76   and name HB  ))
      6.000     4.500     0.000 peak  1927 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.295 ppm2      1.872 CV     1
 OR { 1927}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 77   and name HB1 ))
 ASSI { 1933}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 74   and name HA  ))
      6.000     4.500     0.000 peak  1933 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.288 ppm2      4.191 CV     1
 OR { 1933}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 20   and name HA  ))
 ASSI { 1955}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 26   and name HA2 ))
      6.000     4.500     0.000 peak  1955 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.321 ppm2      3.879 CV     1
 OR { 1955}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 25   and name HA  ))
 ASSI { 1962}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 25   and name HG  ))
      6.000     4.500     0.000 peak  1962 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.316 ppm2      1.936 CV     1
 OR { 1962}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 58   and name HB  ))
 ASSI { 1963}
   (( segid "    " and resid 27   and name HN  ))
   (  segid "    " and resid 24   and name HB% )
      6.000     4.500     0.000 peak  1963 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.321 ppm2      1.533 CV     1
 OR { 1963}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 28   and name HB  ))
 ASSI { 1965}
   (( segid "    " and resid 27   and name HN  ))
   (  segid "    " and resid 28   and name HD1%)
      6.000     4.500     0.000 peak  1965 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.321 ppm2      0.813 CV     1
 OR { 1965}
   (( segid "    " and resid 27   and name HN  ))
   (  segid "    " and resid 25   and name HD1%)
 OR { 1965}
   (( segid "    " and resid 27   and name HN  ))
   (  segid "    " and resid 25   and name HD2%)
 ASSI { 1972}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 79   and name HA  ))
      6.000     4.500     0.000 peak  1972 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.611 ppm2      4.167 CV     1
 OR { 1972}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 75   and name HA  ))
 OR { 1972}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 81   and name HA1 ))
 ASSI { 1978}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 78   and name HB2 ))
      6.000     4.500     0.000 peak  1978 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.615 ppm2      1.540 CV     1
 OR { 1978}
   (( segid "    " and resid 79   and name HN  ))
   (  segid "    " and resid 20   and name HB% )
 ASSI { 1983}
   (( segid "    " and resid 22   and name HN  ))
   (  segid "    " and resid 21   and name HB% )
      6.000     4.500     0.000 peak  1983 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.564 ppm2      1.448 CV     1
 OR { 1983}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 22   and name HB1 ))
 ASSI { 1985}
   (( segid "    " and resid 22   and name HN  ))
   (  segid "    " and resid 22   and name HD1%)
      6.000     4.500     0.000 peak  1985 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.566 ppm2      0.845 CV     1
 OR { 1985}
   (( segid "    " and resid 22   and name HN  ))
   (  segid "    " and resid 76   and name HG2%)
 ASSI { 1990}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 22   and name HA  ))
      6.000     4.500     0.000 peak  1990 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.563 ppm2      3.961 CV     1
 OR { 1990}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 21   and name HA  ))
 ASSI { 2022}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 71   and name HN  ))
      6.000     4.500     0.000 peak  2022 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.876 ppm2      7.693 CV     1
 OR { 2022}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 72   and name HN  ))
 ASSI { 2030}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 68   and name HB1 ))
      6.000     4.500     0.000 peak  2030 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.875 ppm2      2.173 CV     1
 OR { 2030}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 69   and name HB1 ))
 ASSI { 2035}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 70   and name HB2 ))
      6.000     4.500     0.000 peak  2035 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.880 ppm2      0.979 CV     1
 OR { 2035}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 69   and name HG  ))
 ASSI { 2036}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 66   and name HG1 ))
      6.000     4.500     0.000 peak  2036 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.876 ppm2      0.758 CV     1
 OR { 2036}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 64   and name HG  ))
 ASSI { 2062}
   (( segid "    " and resid 104  and name HN  ))
   (  segid "    " and resid 105  and name HG2%)
      6.000     4.500     0.000 peak  2062 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.333 ppm2      1.017 CV     1
 OR { 2062}
   (( segid "    " and resid 104  and name HN  ))
   (  segid "    " and resid 105  and name HG1%)
 OR { 2062}
   (( segid "    " and resid 104  and name HN  ))
   (( segid "    " and resid 106  and name HG11))
 OR { 2062}
   (( segid "    " and resid 104  and name HN  ))
   (( segid "    " and resid 106  and name HG12))
 ASSI { 2064}
   (( segid "    " and resid 104  and name HN  ))
   (( segid "    " and resid 1    and name HG21))
      6.000     4.500     0.000 peak  2064 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.332 ppm2      0.516 CV     1
 OR { 2064}
   (( segid "    " and resid 104  and name HN  ))
   (( segid "    " and resid 66   and name HB1 ))
 ASSI { 2065}
   (( segid "    " and resid 104  and name HN  ))
   (( segid "    " and resid 103  and name HD21))
      6.000     4.500     0.000 peak  2065 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.327 ppm2      7.001 CV     1
 OR { 2065}
   (( segid "    " and resid 104  and name HN  ))
   (  segid "    " and resid 101  and name HD% )
 ASSI { 2073}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 52   and name HA  ))
      6.000     4.500     0.000 peak  2073 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.734 ppm2      4.545 CV     1
 OR { 2073}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 53   and name HA  ))
 ASSI { 2075}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 51   and name HB2 ))
      6.000     4.500     0.000 peak  2075 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.738 ppm2      2.012 CV     1
 OR { 2075}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 44   and name HG1 ))
 OR { 2075}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 14   and name HG1 ))
 ASSI { 2082}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 44   and name HA  ))
      6.000     4.500     0.000 peak  2082 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.727 ppm2      4.397 CV     1
 OR { 2082}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 124  and name HA  ))
 ASSI { 2090}
   (( segid "    " and resid 104  and name HN  ))
   (( segid "    " and resid 138  and name HG1 ))
      6.000     4.500     0.000 peak  2090 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.335 ppm2      2.024 CV     1
 OR { 2090}
   (( segid "    " and resid 104  and name HN  ))
   (( segid "    " and resid 100  and name HB2 ))
 OR { 2090}
   (( segid "    " and resid 104  and name HN  ))
   (( segid "    " and resid 138  and name HG2 ))
 OR { 2090}
   (( segid "    " and resid 104  and name HN  ))
   (( segid "    " and resid 105  and name HB  ))
 ASSI { 2118}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 58   and name HA  ))
      6.000     4.500     0.000 peak  2118 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.154 ppm2      4.935 CV     1
 OR { 2118}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 56   and name HA  ))
 ASSI { 2120}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 58   and name HB  ))
      6.000     4.500     0.000 peak  2120 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.153 ppm2      1.959 CV     1
 OR { 2120}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 127  and name HB2 ))
 ASSI { 2121}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 5    and name HB  ))
      6.000     4.500     0.000 peak  2121 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.154 ppm2      1.747 CV     1
 OR { 2121}
   (( segid "    " and resid 58   and name HN  ))
   (  segid "    " and resid 6    and name HB% )
 ASSI { 2123}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 131  and name HG12))
      6.000     4.500     0.000 peak  2123 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.154 ppm2      1.483 CV     1
 OR { 2123}
   (( segid "    " and resid 58   and name HN  ))
   (  segid "    " and resid 56   and name HB% )
 OR { 2123}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 7    and name HB  ))
 ASSI { 2125}
   (( segid "    " and resid 58   and name HN  ))
   (  segid "    " and resid 59   and name HB% )
      6.000     4.500     0.000 peak  2125 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.155 ppm2      1.233 CV     1
 OR { 2125}
   (( segid "    " and resid 58   and name HN  ))
   (  segid "    " and resid 35   and name HG2%)
 ASSI { 2126}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 5    and name HG11))
      6.000     4.500     0.000 peak  2126 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.156 ppm2      1.106 CV     1
 OR { 2126}
   (( segid "    " and resid 58   and name HN  ))
   (  segid "    " and resid 36   and name HG1%)
 ASSI { 2128}
   (( segid "    " and resid 58   and name HN  ))
   (  segid "    " and resid 25   and name HD2%)
      6.000     4.500     0.000 peak  2128 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.154 ppm2      0.840 CV     1
 OR { 2128}
   (( segid "    " and resid 58   and name HN  ))
   (  segid "    " and resid 5    and name HG2%)
 ASSI { 2133}
   (( segid "    " and resid 126  and name HN  ))
   (( segid "    " and resid 128  and name HB2 ))
      6.000     4.500     0.000 peak  2133 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.728 ppm2      1.194 CV     1
 OR { 2133}
   (( segid "    " and resid 126  and name HN  ))
   (  segid "    " and resid 151  and name HB% )
 ASSI { 2144}
   (( segid "    " and resid 152  and name HN  ))
   (( segid "    " and resid 151  and name HA  ))
      6.000     4.500     0.000 peak  2144 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.254 ppm2      4.098 CV     1
 OR { 2144}
   (( segid "    " and resid 152  and name HN  ))
   (( segid "    " and resid 122  and name HA2 ))
 ASSI { 2163}
   (( segid "    " and resid 124  and name HN  ))
   (( segid "    " and resid 125  and name HA  ))
      6.000     4.500     0.000 peak  2163 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.505 ppm2      3.815 CV     1
 OR { 2163}
   (( segid "    " and resid 124  and name HN  ))
   (( segid "    " and resid 118  and name HA  ))
 ASSI { 2167}
   (( segid "    " and resid 124  and name HN  ))
   (( segid "    " and resid 127  and name HG1 ))
      6.000     4.500     0.000 peak  2167 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.503 ppm2      1.405 CV     1
 OR { 2167}
   (( segid "    " and resid 124  and name HN  ))
   (( segid "    " and resid 121  and name HG1 ))
 ASSI { 2169}
   (( segid "    " and resid 124  and name HN  ))
   (( segid "    " and resid 121  and name HB1 ))
      6.000     4.500     0.000 peak  2169 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.500 ppm2      0.946 CV     1
 OR { 2169}
   (( segid "    " and resid 124  and name HN  ))
   (( segid "    " and resid 125  and name HB1 ))
 ASSI { 2171}
   (( segid "    " and resid 124  and name HN  ))
   (( segid "    " and resid 123  and name HB1 ))
      6.000     4.500     0.000 peak  2171 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.488 ppm2      2.934 CV     1
 OR { 2171}
   (( segid "    " and resid 124  and name HN  ))
   (( segid "    " and resid 126  and name HB1 ))
 ASSI { 2172}
   (( segid "    " and resid 124  and name HN  ))
   (( segid "    " and resid 121  and name HD2 ))
      6.000     4.500     0.000 peak  2172 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.492 ppm2      2.444 CV     1
 OR { 2172}
   (( segid "    " and resid 124  and name HN  ))
   (( segid "    " and resid 55   and name HB2 ))
 ASSI { 2182}
   (( segid "    " and resid 126  and name HN  ))
   (( segid "    " and resid 123  and name HN  ))
      6.000     4.500     0.000 peak  2182 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.730 ppm2      7.035 CV     1
 OR { 2182}
   (( segid "    " and resid 126  and name HN  ))
   (( segid "    " and resid 121  and name HN  ))
 ASSI { 2188}
   (( segid "    " and resid 126  and name HN  ))
   (( segid "    " and resid 122  and name HA2 ))
      6.000     4.500     0.000 peak  2188 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.729 ppm2      4.072 CV     1
 OR { 2188}
   (( segid "    " and resid 126  and name HN  ))
   (( segid "    " and resid 143  and name HA  ))
 ASSI { 2193}
   (( segid "    " and resid 126  and name HN  ))
   (( segid "    " and resid 127  and name HB2 ))
      6.000     4.500     0.000 peak  2193 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.725 ppm2      1.936 CV     1
 OR { 2193}
   (( segid "    " and resid 126  and name HN  ))
   (( segid "    " and resid 118  and name HB2 ))
 ASSI { 2197}
   (( segid "    " and resid 126  and name HN  ))
   (( segid "    " and resid 125  and name HB2 ))
      6.000     4.500     0.000 peak  2197 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.726 ppm2      1.066 CV     1
 OR { 2197}
   (( segid "    " and resid 126  and name HN  ))
   (( segid "    " and resid 147  and name HB2 ))
 ASSI { 2198}
   (( segid "    " and resid 126  and name HN  ))
   (( segid "    " and resid 125  and name HB1 ))
      6.000     4.500     0.000 peak  2198 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.732 ppm2      0.931 CV     1
 OR { 2198}
   (( segid "    " and resid 126  and name HN  ))
   (( segid "    " and resid 143  and name HG  ))
 ASSI { 2225}
   (( segid "    " and resid 124  and name HN  ))
   (( segid "    " and resid 127  and name HD1 ))
      6.000     4.500     0.000 peak  2225 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.500 ppm2      3.176 CV     1
 OR { 2225}
   (( segid "    " and resid 124  and name HN  ))
   (( segid "    " and resid 123  and name HB2 ))
 ASSI { 2240}
   (( segid "    " and resid 130  and name HN  ))
   (( segid "    " and resid 129  and name HN  ))
      6.000     4.500     0.000 peak  2240 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.620 ppm2      8.618 CV     1
 OR { 2240}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 79   and name HN  ))
 ASSI { 2241}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 77   and name HN  ))
      6.000     4.500     0.000 peak  2241 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.622 ppm2      8.306 CV     1
 OR { 2241}
   (( segid "    " and resid 130  and name HN  ))
   (( segid "    " and resid 132  and name HN  ))
 ASSI { 2244}
   (( segid "    " and resid 130  and name HN  ))
   (( segid "    " and resid 127  and name HA  ))
      6.000     4.500     0.000 peak  2244 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.620 ppm2      4.455 CV     1
 OR { 2244}
   (( segid "    " and resid 130  and name HN  ))
   (( segid "    " and resid 131  and name HA  ))
 ASSI { 2249}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 78   and name HB1 ))
      6.000     4.500     0.000 peak  2249 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.622 ppm2      1.873 CV     1
 OR { 2249}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 77   and name HB1 ))
 ASSI { 2250}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 78   and name HG  ))
      6.000     4.500     0.000 peak  2250 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.621 ppm2      1.723 CV     1
 OR { 2250}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 94   and name HB1 ))
 ASSI { 2266}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 71   and name HD21))
      6.000     4.500     0.000 peak  2266 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.683 ppm2      7.194 CV     1
 OR { 2266}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 72   and name HD2 ))
 ASSI { 2270}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 71   and name HA  ))
      6.000     4.500     0.000 peak  2270 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.686 ppm2      4.301 CV     1
 OR { 2270}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 68   and name HA  ))
 ASSI { 2271}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 67   and name HA  ))
      6.000     4.500     0.000 peak  2271 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.689 ppm2      3.626 CV     1
 OR { 2271}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 29   and name HD2 ))
 ASSI { 2275}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 74   and name HG1 ))
      6.000     4.500     0.000 peak  2275 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.684 ppm2      2.396 CV     1
 OR { 2275}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 68   and name HG2 ))
 ASSI { 2276}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 69   and name HB1 ))
      6.000     4.500     0.000 peak  2276 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.687 ppm2      2.175 CV     1
 OR { 2276}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 68   and name HB1 ))
 OR { 2276}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 74   and name HB2 ))
 ASSI { 2278}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 110  and name HG2 ))
      6.000     4.500     0.000 peak  2278 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.684 ppm2      1.509 CV     1
 OR { 2278}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 64   and name HB2 ))
 OR { 2278}
   (( segid "    " and resid 71   and name HN  ))
   (  segid "    " and resid 24   and name HB% )
 ASSI { 2280}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 70   and name HB2 ))
      6.000     4.500     0.000 peak  2280 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.690 ppm2      0.995 CV     1
 OR { 2280}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 69   and name HG  ))
 ASSI { 2281}
   (( segid "    " and resid 71   and name HN  ))
   (  segid "    " and resid 70   and name HD2%)
      6.000     4.500     0.000 peak  2281 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.687 ppm2      0.699 CV     1
 OR { 2281}
   (( segid "    " and resid 71   and name HN  ))
   (  segid "    " and resid 64   and name HD1%)
 ASSI { 2284}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 110  and name HG2 ))
      6.000     4.500     0.000 peak  2284 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.677 ppm2      1.463 CV     1
 OR { 2284}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 64   and name HB2 ))
 OR { 2284}
   (( segid "    " and resid 71   and name HN  ))
   (  segid "    " and resid 21   and name HB% )
 ASSI { 2289}
   (( segid "    " and resid 130  and name HN  ))
   (( segid "    " and resid 130  and name HA  ))
      6.000     4.500     0.000 peak  2289 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.616 ppm2      3.878 CV     1
 OR { 2289}
   (( segid "    " and resid 130  and name HN  ))
   (( segid "    " and resid 129  and name HA  ))
 ASSI { 2291}
   (( segid "    " and resid 130  and name HN  ))
   (( segid "    " and resid 128  and name HB2 ))
      6.000     4.500     0.000 peak  2291 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.620 ppm2      1.214 CV     1
 OR { 2291}
   (( segid "    " and resid 130  and name HN  ))
   (  segid "    " and resid 59   and name HB% )
 OR { 2291}
   (( segid "    " and resid 130  and name HN  ))
   (  segid "    " and resid 35   and name HG2%)
 ASSI { 2299}
   (( segid "    " and resid 147  and name HN  ))
   (( segid "    " and resid 148  and name HN  ))
      6.000     4.500     0.000 peak  2299 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.430 ppm2      7.565 CV     1
 OR { 2299}
   (( segid "    " and resid 147  and name HN  ))
   (( segid "    " and resid 145  and name HE21))
 ASSI { 2303}
   (( segid "    " and resid 147  and name HN  ))
   (( segid "    " and resid 143  and name HA  ))
      6.000     4.500     0.000 peak  2303 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.424 ppm2      4.089 CV     1
 OR { 2303}
   (( segid "    " and resid 147  and name HN  ))
   (( segid "    " and resid 122  and name HA2 ))
 ASSI { 2316}
   (( segid "    " and resid 147  and name HN  ))
   (  segid "    " and resid 125  and name HD1%)
      6.000     4.500     0.000 peak  2316 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.428 ppm2      0.474 CV     1
 OR { 2316}
   (( segid "    " and resid 147  and name HN  ))
   (( segid "    " and resid 119  and name HG1 ))
 ASSI { 2349}
   (( segid "    " and resid 144  and name HN  ))
   (( segid "    " and resid 143  and name HA  ))
      6.000     4.500     0.000 peak  2349 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.595 ppm2      4.076 CV     1
 OR { 2349}
   (( segid "    " and resid 144  and name HN  ))
   (( segid "    " and resid 122  and name HA2 ))
 ASSI { 2362}
   (( segid "    " and resid 144  and name HN  ))
   (( segid "    " and resid 142  and name HG1 ))
      6.000     4.500     0.000 peak  2362 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.592 ppm2      2.788 CV     1
 OR { 2362}
   (( segid "    " and resid 144  and name HN  ))
   (( segid "    " and resid 122  and name HA1 ))
 ASSI { 2363}
   (( segid "    " and resid 144  and name HN  ))
   (( segid "    " and resid 142  and name HG2 ))
      6.000     4.500     0.000 peak  2363 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.589 ppm2      2.657 CV     1
 OR { 2363}
   (( segid "    " and resid 144  and name HN  ))
   (( segid "    " and resid 130  and name HB2 ))
 ASSI { 2368}
   (( segid "    " and resid 144  and name HN  ))
   (( segid "    " and resid 125  and name HB2 ))
      6.000     4.500     0.000 peak  2368 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.589 ppm2      1.063 CV     1
 OR { 2368}
   (( segid "    " and resid 144  and name HN  ))
   (( segid "    " and resid 147  and name HB2 ))
 ASSI { 2369}
   (( segid "    " and resid 144  and name HN  ))
   (( segid "    " and resid 125  and name HB1 ))
      6.000     4.500     0.000 peak  2369 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.591 ppm2      0.956 CV     1
 OR { 2369}
   (( segid "    " and resid 144  and name HN  ))
   (( segid "    " and resid 143  and name HG  ))
 ASSI { 2372}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 33   and name HN  ))
      6.000     4.500     0.000 peak  2372 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.996 ppm2      9.147 CV     1
 OR { 2372}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 34   and name HN  ))
 ASSI { 2376}
   (( segid "    " and resid 32   and name HN  ))
   (  segid "    " and resid 28   and name HD1%)
      6.000     4.500     0.000 peak  2376 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.983 ppm2      0.812 CV     1
 OR { 2376}
   (( segid "    " and resid 32   and name HN  ))
   (  segid "    " and resid 25   and name HD1%)
 OR { 2376}
   (( segid "    " and resid 32   and name HN  ))
   (  segid "    " and resid 25   and name HD2%)
 ASSI { 2378}
   (( segid "    " and resid 93   and name HN  ))
   (( segid "    " and resid 17   and name HB1 ))
      6.000     4.500     0.000 peak  2378 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.886 ppm2      1.972 CV     1
 OR { 2378}
   (( segid "    " and resid 93   and name HN  ))
   (( segid "    " and resid 87   and name HB2 ))
 ASSI { 2385}
   (( segid "    " and resid 148  and name HN  ))
   (( segid "    " and resid 146  and name HN  ))
      6.000     4.500     0.000 peak  2385 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.566 ppm2      7.863 CV     1
 OR { 2385}
   (( segid "    " and resid 148  and name HN  ))
   (( segid "    " and resid 150  and name HN  ))
 ASSI { 2392}
   (( segid "    " and resid 148  and name HN  ))
   (( segid "    " and resid 149  and name HA  ))
      6.000     4.500     0.000 peak  2392 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.566 ppm2      4.041 CV     1
 OR { 2392}
   (( segid "    " and resid 148  and name HN  ))
   (( segid "    " and resid 122  and name HA2 ))
 OR { 2392}
   (( segid "    " and resid 148  and name HN  ))
   (( segid "    " and resid 150  and name HA  ))
 ASSI { 2409}
   (( segid "    " and resid 120  and name HD22))
   (( segid "    " and resid 117  and name HA  ))
      6.000     4.500     0.000 peak  2409 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.897 ppm2      5.025 CV     1
 OR { 2409}
   (( segid "    " and resid 120  and name HD22))
   (( segid "    " and resid 120  and name HA  ))
 ASSI { 2423}
   (( segid "    " and resid 145  and name HN  ))
   (( segid "    " and resid 143  and name HA  ))
      6.000     4.500     0.000 peak  2423 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.746 ppm2      4.099 CV     1
 OR { 2423}
   (( segid "    " and resid 145  and name HN  ))
   (( segid "    " and resid 122  and name HA2 ))
 ASSI { 2429}
   (( segid "    " and resid 145  and name HN  ))
   (( segid "    " and resid 145  and name HB1 ))
      6.000     4.500     0.000 peak  2429 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.744 ppm2      2.266 CV     1
 OR { 2429}
   (( segid "    " and resid 145  and name HN  ))
   (( segid "    " and resid 142  and name HB2 ))
 ASSI { 2430}
   (( segid "    " and resid 145  and name HN  ))
   (( segid "    " and resid 144  and name HB1 ))
      6.000     4.500     0.000 peak  2430 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.745 ppm2      2.098 CV     1
 OR { 2430}
   (( segid "    " and resid 145  and name HN  ))
   (( segid "    " and resid 142  and name HB1 ))
 ASSI { 2431}
   (( segid "    " and resid 145  and name HN  ))
   (( segid "    " and resid 144  and name HB2 ))
      6.000     4.500     0.000 peak  2431 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.741 ppm2      1.796 CV     1
 OR { 2431}
   (( segid "    " and resid 145  and name HN  ))
   (( segid "    " and resid 146  and name HB  ))
 ASSI { 2432}
   (( segid "    " and resid 145  and name HN  ))
   (( segid "    " and resid 144  and name HG2 ))
      6.000     4.500     0.000 peak  2432 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.745 ppm2      1.593 CV     1
 OR { 2432}
   (( segid "    " and resid 145  and name HN  ))
   (( segid "    " and resid 146  and name HG11))
 ASSI { 2433}
   (( segid "    " and resid 145  and name HN  ))
   (( segid "    " and resid 143  and name HB1 ))
      6.000     4.500     0.000 peak  2433 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.743 ppm2      1.375 CV     1
 OR { 2433}
   (( segid "    " and resid 145  and name HN  ))
   (( segid "    " and resid 154  and name HB2 ))
 OR { 2433}
   (( segid "    " and resid 145  and name HN  ))
   (( segid "    " and resid 154  and name HB1 ))
 OR { 2433}
   (( segid "    " and resid 145  and name HN  ))
   (( segid "    " and resid 154  and name HD2 ))
 ASSI { 2434}
   (( segid "    " and resid 145  and name HN  ))
   (( segid "    " and resid 125  and name HB2 ))
      6.000     4.500     0.000 peak  2434 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.744 ppm2      1.089 CV     1
 OR { 2434}
   (( segid "    " and resid 145  and name HN  ))
   (( segid "    " and resid 147  and name HB2 ))
 ASSI { 2436}
   (( segid "    " and resid 145  and name HN  ))
   (  segid "    " and resid 146  and name HD1%)
      6.000     4.500     0.000 peak  2436 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.745 ppm2      0.478 CV     1
 OR { 2436}
   (( segid "    " and resid 145  and name HN  ))
   (  segid "    " and resid 125  and name HD1%)
 ASSI { 2438}
   (( segid "    " and resid 145  and name HN  ))
   (( segid "    " and resid 148  and name HB2 ))
      6.000     4.500     0.000 peak  2438 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.737 ppm2      3.247 CV     1
 OR { 2438}
   (( segid "    " and resid 145  and name HN  ))
   (( segid "    " and resid 144  and name HD1 ))
 OR { 2438}
   (( segid "    " and resid 145  and name HN  ))
   (( segid "    " and resid 144  and name HD2 ))
 ASSI { 2447}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 61   and name HB2 ))
      6.000     4.500     0.000 peak  2447 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.982 ppm2      1.738 CV     1
 OR { 2447}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 64   and name HB1 ))
 ASSI { 2448}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 28   and name HB  ))
      6.000     4.500     0.000 peak  2448 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.984 ppm2      1.540 CV     1
 OR { 2448}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 34   and name HB2 ))
 ASSI { 2458}
   (( segid "    " and resid 119  and name HN  ))
   (( segid "    " and resid 117  and name HA  ))
      6.000     4.500     0.000 peak  2458 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.073 ppm2      5.019 CV     1
 OR { 2458}
   (( segid "    " and resid 119  and name HN  ))
   (( segid "    " and resid 120  and name HA  ))
 ASSI { 2466}
   (( segid "    " and resid 125  and name HN  ))
   (( segid "    " and resid 122  and name HA2 ))
      6.000     4.500     0.000 peak  2466 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.491 ppm2      4.085 CV     1
 OR { 2466}
   (( segid "    " and resid 125  and name HN  ))
   (( segid "    " and resid 143  and name HA  ))
 ASSI { 2467}
   (( segid "    " and resid 125  and name HN  ))
   (( segid "    " and resid 125  and name HA  ))
      6.000     4.500     0.000 peak  2467 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.486 ppm2      3.829 CV     1
 OR { 2467}
   (( segid "    " and resid 125  and name HN  ))
   (( segid "    " and resid 118  and name HA  ))
 ASSI { 2468}
   (( segid "    " and resid 125  and name HN  ))
   (( segid "    " and resid 123  and name HB2 ))
      6.000     4.500     0.000 peak  2468 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.490 ppm2      3.183 CV     1
 OR { 2468}
   (( segid "    " and resid 125  and name HN  ))
   (( segid "    " and resid 129  and name HB2 ))
 ASSI { 2473}
   (( segid "    " and resid 125  and name HN  ))
   (( segid "    " and resid 121  and name HG1 ))
      6.000     4.500     0.000 peak  2473 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.488 ppm2      1.412 CV     1
 OR { 2473}
   (( segid "    " and resid 125  and name HN  ))
   (( segid "    " and resid 127  and name HG1 ))
 ASSI { 2474}
   (( segid "    " and resid 125  and name HN  ))
   (( segid "    " and resid 128  and name HB2 ))
      6.000     4.500     0.000 peak  2474 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.484 ppm2      1.219 CV     1
 OR { 2474}
   (( segid "    " and resid 125  and name HN  ))
   (  segid "    " and resid 151  and name HB% )
 ASSI { 2475}
   (( segid "    " and resid 125  and name HN  ))
   (( segid "    " and resid 125  and name HB1 ))
      6.000     4.500     0.000 peak  2475 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.486 ppm2      0.939 CV     1
 OR { 2475}
   (( segid "    " and resid 125  and name HN  ))
   (( segid "    " and resid 143  and name HG  ))
 ASSI { 2482}
   (( segid "    " and resid 125  and name HN  ))
   (( segid "    " and resid 125  and name HB2 ))
      6.000     4.500     0.000 peak  2482 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.481 ppm2      1.077 CV     1
 OR { 2482}
   (( segid "    " and resid 125  and name HN  ))
   (( segid "    " and resid 147  and name HB2 ))
 ASSI { 2484}
   (( segid "    " and resid 119  and name HN  ))
   (( segid "    " and resid 121  and name HG2 ))
      6.000     4.500     0.000 peak  2484 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.086 ppm2      1.040 CV     1
 OR { 2484}
   (( segid "    " and resid 119  and name HN  ))
   (( segid "    " and resid 125  and name HB2 ))
 ASSI { 2488}
   (( segid "    " and resid 119  and name HN  ))
   (( segid "    " and resid 120  and name HN  ))
      6.000     4.500     0.000 peak  2488 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.077 ppm2      7.511 CV     1
 OR { 2488}
   (( segid "    " and resid 119  and name HN  ))
   (( segid "    " and resid 118  and name HN  ))
 ASSI { 2499}
   (( segid "    " and resid 119  and name HN  ))
   (( segid "    " and resid 146  and name HG12))
      6.000     4.500     0.000 peak  2499 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.077 ppm2      0.994 CV     1
 OR { 2499}
   (( segid "    " and resid 119  and name HN  ))
   (( segid "    " and resid 121  and name HB1 ))
 ASSI { 2501}
   (( segid "    " and resid 119  and name HN  ))
   (( segid "    " and resid 119  and name HG1 ))
      6.000     4.500     0.000 peak  2501 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.076 ppm2      0.473 CV     1
 OR { 2501}
   (( segid "    " and resid 119  and name HN  ))
   (  segid "    " and resid 125  and name HD1%)
 ASSI { 2507}
   (( segid "    " and resid 125  and name HN  ))
   (( segid "    " and resid 121  and name HD2 ))
      6.000     4.500     0.000 peak  2507 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.493 ppm2      2.429 CV     1
 OR { 2507}
   (( segid "    " and resid 125  and name HN  ))
   (( segid "    " and resid 55   and name HB2 ))
 ASSI { 2508}
   (( segid "    " and resid 125  and name HN  ))
   (( segid "    " and resid 127  and name HG2 ))
      6.000     4.500     0.000 peak  2508 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.484 ppm2      2.005 CV     1
 OR { 2508}
   (( segid "    " and resid 125  and name HN  ))
   (( segid "    " and resid 128  and name HB1 ))
 ASSI { 2526}
   (( segid "    " and resid 108  and name HN  ))
   (( segid "    " and resid 111  and name HG  ))
      6.000     4.500     0.000 peak  2526 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.997 ppm2      1.054 CV     1
 OR { 2526}
   (( segid "    " and resid 108  and name HN  ))
   (( segid "    " and resid 106  and name HG12))
 OR { 2526}
   (( segid "    " and resid 108  and name HN  ))
   (( segid "    " and resid 106  and name HG11))
 ASSI { 2536}
   (( segid "    " and resid 108  and name HN  ))
   (( segid "    " and resid 106  and name HA  ))
      6.000     4.500     0.000 peak  2536 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.000 ppm2      4.299 CV     1
 OR { 2536}
   (( segid "    " and resid 108  and name HN  ))
   (( segid "    " and resid 113  and name HA  ))
 ASSI { 2549}
   (( segid "    " and resid 134  and name HN  ))
   (( segid "    " and resid 135  and name HA  ))
      6.000     4.500     0.000 peak  2549 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.284 ppm2      3.848 CV     1
 OR { 2549}
   (( segid "    " and resid 134  and name HN  ))
   (( segid "    " and resid 129  and name HA  ))
 ASSI { 2554}
   (( segid "    " and resid 134  and name HN  ))
   (( segid "    " and resid 136  and name HB  ))
      6.000     4.500     0.000 peak  2554 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.284 ppm2      1.963 CV     1
 OR { 2554}
   (( segid "    " and resid 134  and name HN  ))
   (( segid "    " and resid 128  and name HB1 ))
 ASSI { 2555}
   (( segid "    " and resid 134  and name HN  ))
   (( segid "    " and resid 134  and name HB1 ))
      6.000     4.500     0.000 peak  2555 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.286 ppm2      1.759 CV     1
 OR { 2555}
   (( segid "    " and resid 134  and name HN  ))
   (( segid "    " and resid 135  and name HB2 ))
 ASSI { 2581}
   (( segid "    " and resid 128  and name HN  ))
   (( segid "    " and resid 143  and name HG  ))
      6.000     4.500     0.000 peak  2581 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.520 ppm2      0.953 CV     1
 OR { 2581}
   (( segid "    " and resid 128  and name HN  ))
   (( segid "    " and resid 125  and name HB1 ))
 ASSI { 2585}
   (( segid "    " and resid 128  and name HN  ))
   (( segid "    " and resid 128  and name HA  ))
      6.000     4.500     0.000 peak  2585 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.519 ppm2      3.822 CV     1
 OR { 2585}
   (( segid "    " and resid 128  and name HN  ))
   (( segid "    " and resid 125  and name HA  ))
 ASSI { 2587}
   (( segid "    " and resid 128  and name HN  ))
   (( segid "    " and resid 128  and name HB1 ))
      6.000     4.500     0.000 peak  2587 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.518 ppm2      1.985 CV     1
 OR { 2587}
   (( segid "    " and resid 128  and name HN  ))
   (( segid "    " and resid 127  and name HG2 ))
 ASSI { 2605}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 29   and name HB2 ))
      6.000     4.500     0.000 peak  2605 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.901 ppm2      2.388 CV     1
 OR { 2605}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 30   and name HB1 ))
 ASSI { 2629}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 74   and name HA  ))
      6.000     4.500     0.000 peak  2629 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.284 ppm2      4.209 CV     1
 OR { 2629}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 24   and name HA  ))
 ASSI { 2638}
   (( segid "    " and resid 73   and name HN  ))
   (  segid "    " and resid 25   and name HD1%)
      6.000     4.500     0.000 peak  2638 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.289 ppm2      0.810 CV     1
 OR { 2638}
   (( segid "    " and resid 73   and name HN  ))
   (  segid "    " and resid 5    and name HG2%)
 ASSI { 2639}
   (( segid "    " and resid 73   and name HN  ))
   (  segid "    " and resid 70   and name HD2%)
      6.000     4.500     0.000 peak  2639 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.287 ppm2      0.715 CV     1
 OR { 2639}
   (( segid "    " and resid 73   and name HN  ))
   (  segid "    " and resid 94   and name HD2%)
 OR { 2639}
   (( segid "    " and resid 73   and name HN  ))
   (  segid "    " and resid 94   and name HD1%)
 ASSI { 2646}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 95   and name HN  ))
      6.000     4.500     0.000 peak  2646 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.787 ppm2      9.217 CV     1
 OR { 2646}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 56   and name HN  ))
 ASSI { 2647}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 94   and name HA  ))
      6.000     4.500     0.000 peak  2647 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.787 ppm2      5.076 CV     1
 OR { 2647}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 6    and name HA  ))
 ASSI { 2658}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 7    and name HB  ))
      6.000     4.500     0.000 peak  2658 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.780 ppm2      1.455 CV     1
 OR { 2658}
   (( segid "    " and resid 8    and name HN  ))
   (  segid "    " and resid 21   and name HB% )
 ASSI { 2660}
   (( segid "    " and resid 8    and name HN  ))
   (  segid "    " and resid 96   and name HD1%)
      6.000     4.500     0.000 peak  2660 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.780 ppm2      0.931 CV     1
 OR { 2660}
   (( segid "    " and resid 8    and name HN  ))
   (  segid "    " and resid 96   and name HD2%)
 OR { 2660}
   (( segid "    " and resid 8    and name HN  ))
   (  segid "    " and resid 58   and name HG2%)
 ASSI { 2661}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 94   and name HG  ))
      6.000     4.500     0.000 peak  2661 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.782 ppm2      0.804 CV     1
 OR { 2661}
   (( segid "    " and resid 8    and name HN  ))
   (  segid "    " and resid 5    and name HG2%)
 OR { 2661}
   (( segid "    " and resid 8    and name HN  ))
   (  segid "    " and resid 25   and name HD2%)
 ASSI { 2664}
   (( segid "    " and resid 102  and name HN  ))
   (( segid "    " and resid 103  and name HN  ))
      6.000     4.500     0.000 peak  2664 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.398 ppm2      9.257 CV     1
 OR { 2664}
   (( segid "    " and resid 102  and name HN  ))
   (( segid "    " and resid 3    and name HN  ))
 ASSI { 2674}
   (( segid "    " and resid 102  and name HN  ))
   (( segid "    " and resid 2    and name HA  ))
      6.000     4.500     0.000 peak  2674 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.403 ppm2      4.205 CV     1
 OR { 2674}
   (( segid "    " and resid 102  and name HN  ))
   (( segid "    " and resid 104  and name HA  ))
 ASSI { 2679}
   (( segid "    " and resid 102  and name HN  ))
   (( segid "    " and resid 100  and name HB2 ))
      6.000     4.500     0.000 peak  2679 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.397 ppm2      2.008 CV     1
 OR { 2679}
   (( segid "    " and resid 102  and name HN  ))
   (( segid "    " and resid 138  and name HG1 ))
 ASSI { 2683}
   (( segid "    " and resid 102  and name HN  ))
   (  segid "    " and resid 2    and name HG2%)
      6.000     4.500     0.000 peak  2683 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.400 ppm2      0.771 CV     1
 OR { 2683}
   (( segid "    " and resid 102  and name HN  ))
   (  segid "    " and resid 98   and name HG2%)
 OR { 2683}
   (( segid "    " and resid 102  and name HN  ))
   (( segid "    " and resid 66   and name HG1 ))
 ASSI { 2700}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 70   and name HB1 ))
      6.000     4.500     0.000 peak  2700 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.287 ppm2      1.874 CV     1
 OR { 2700}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 75   and name HB2 ))
 OR { 2700}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 76   and name HB  ))
 ASSI { 2701}
   (( segid "    " and resid 73   and name HN  ))
   (  segid "    " and resid 69   and name HD1%)
      6.000     4.500     0.000 peak  2701 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.286 ppm2      0.941 CV     1
 OR { 2701}
   (( segid "    " and resid 73   and name HN  ))
   (  segid "    " and resid 96   and name HD2%)
 OR { 2701}
   (( segid "    " and resid 73   and name HN  ))
   (  segid "    " and resid 96   and name HD1%)
 OR { 2701}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 96   and name HB2 ))
 ASSI { 2706}
   (( segid "    " and resid 107  and name HD21))
   (( segid "    " and resid 105  and name HA  ))
      6.000     4.500     0.000 peak  2706 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.805 ppm2      4.664 CV     1
 OR { 2706}
   (( segid "    " and resid 107  and name HD21))
   (( segid "    " and resid 108  and name HB  ))
 ASSI { 2707}
   (( segid "    " and resid 107  and name HD21))
   (( segid "    " and resid 106  and name HA  ))
      6.000     4.500     0.000 peak  2707 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.802 ppm2      4.302 CV     1
 OR { 2707}
   (( segid "    " and resid 107  and name HD21))
   (( segid "    " and resid 113  and name HA  ))
 ASSI { 2710}
   (( segid "    " and resid 107  and name HD21))
   (  segid "    " and resid 105  and name HG1%)
      6.000     4.500     0.000 peak  2710 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.801 ppm2      1.032 CV     1
 OR { 2710}
   (( segid "    " and resid 107  and name HD21))
   (( segid "    " and resid 106  and name HG12))
 OR { 2710}
   (( segid "    " and resid 107  and name HD21))
   (( segid "    " and resid 106  and name HG11))
 OR { 2710}
   (( segid "    " and resid 107  and name HD21))
   (  segid "    " and resid 105  and name HG2%)
 ASSI { 2735}
   (( segid "    " and resid 107  and name HD22))
   (  segid "    " and resid 113  and name HG2%)
      6.000     4.500     0.000 peak  2735 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.797 ppm2      1.176 CV     1
 OR { 2735}
   (( segid "    " and resid 107  and name HD22))
   (  segid "    " and resid 108  and name HG2%)
 ASSI { 2736}
   (( segid "    " and resid 107  and name HD22))
   (  segid "    " and resid 105  and name HG1%)
      6.000     4.500     0.000 peak  2736 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.798 ppm2      1.035 CV     1
 OR { 2736}
   (( segid "    " and resid 107  and name HD22))
   (  segid "    " and resid 105  and name HG2%)
 OR { 2736}
   (( segid "    " and resid 107  and name HD22))
   (( segid "    " and resid 106  and name HG12))
 ASSI { 2756}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 67   and name HA  ))
      6.000     4.500     0.000 peak  2756 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.725 ppm2      3.628 CV     1
 OR { 2756}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 66   and name HD2 ))
 ASSI { 2762}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 66   and name HG2 ))
      6.000     4.500     0.000 peak  2762 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.725 ppm2      1.730 CV     1
 OR { 2762}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 64   and name HB1 ))
 ASSI { 2764}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 66   and name HB2 ))
      6.000     4.500     0.000 peak  2764 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.724 ppm2      1.272 CV     1
 OR { 2764}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 69   and name HB2 ))
 ASSI { 2765}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 66   and name HG1 ))
      6.000     4.500     0.000 peak  2765 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.724 ppm2      0.773 CV     1
 OR { 2765}
   (( segid "    " and resid 67   and name HN  ))
   (  segid "    " and resid 98   and name HG2%)
 ASSI { 2769}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 70   and name HB2 ))
      6.000     4.500     0.000 peak  2769 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.719 ppm2      1.005 CV     1
 OR { 2769}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 111  and name HG  ))
 OR { 2769}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 69   and name HG  ))
 ASSI { 2780}
   (( segid "    " and resid 48   and name HE22))
   (( segid "    " and resid 48   and name HB1 ))
      6.000     4.500     0.000 peak  2780 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.617 ppm2      2.247 CV     1
 OR { 2780}
   (( segid "    " and resid 48   and name HE22))
   (( segid "    " and resid 91   and name HB2 ))
 ASSI { 2792}
   (( segid "    " and resid 48   and name HE21))
   (( segid "    " and resid 48   and name HB1 ))
      6.000     4.500     0.000 peak  2792 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.891 ppm2      2.245 CV     1
 OR { 2792}
   (( segid "    " and resid 48   and name HE21))
   (( segid "    " and resid 91   and name HB2 ))
 ASSI { 2793}
   (( segid "    " and resid 48   and name HE21))
   (( segid "    " and resid 44   and name HG2 ))
      6.000     4.500     0.000 peak  2793 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.885 ppm2      1.967 CV     1
 OR { 2793}
   (( segid "    " and resid 48   and name HE21))
   (( segid "    " and resid 91   and name HG1 ))
 ASSI { 2795}
   (( segid "    " and resid 48   and name HE21))
   (( segid "    " and resid 44   and name HB1 ))
      6.000     4.500     0.000 peak  2795 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.882 ppm2      2.168 CV     1
 OR { 2795}
   (( segid "    " and resid 48   and name HE21))
   (( segid "    " and resid 44   and name HB2 ))
 OR { 2795}
   (( segid "    " and resid 48   and name HE21))
   (( segid "    " and resid 50   and name HB2 ))
 ASSI { 2813}
   (( segid "    " and resid 110  and name HN  ))
   (( segid "    " and resid 111  and name HG  ))
      6.000     4.500     0.000 peak  2813 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.935 ppm2      1.027 CV     1
 OR { 2813}
   (( segid "    " and resid 110  and name HN  ))
   (( segid "    " and resid 106  and name HG12))
 ASSI { 2849}
   (( segid "    " and resid 110  and name HN  ))
   (( segid "    " and resid 110  and name HG2 ))
      6.000     4.500     0.000 peak  2849 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.937 ppm2      1.461 CV     1
 OR { 2849}
   (( segid "    " and resid 110  and name HN  ))
   (  segid "    " and resid 112  and name HG2%)
 ASSI { 2871}
   (( segid "    " and resid 38   and name HN  ))
   (  segid "    " and resid 56   and name HB% )
      6.000     4.500     0.000 peak  2871 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.453 ppm2      1.464 CV     1
 OR { 2871}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 131  and name HG12))
 ASSI { 2872}
   (( segid "    " and resid 38   and name HN  ))
   (  segid "    " and resid 57   and name HB% )
      6.000     4.500     0.000 peak  2872 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.454 ppm2      1.332 CV     1
 OR { 2872}
   (( segid "    " and resid 38   and name HN  ))
   (  segid "    " and resid 36   and name HG2%)
 ASSI { 2875}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 131  and name HA  ))
      6.000     4.500     0.000 peak  2875 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.432 ppm2      4.470 CV     1
 OR { 2875}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 157  and name HA  ))
 ASSI { 2887}
   (( segid "    " and resid 100  and name HN  ))
   (( segid "    " and resid 5    and name HA  ))
      6.000     4.500     0.000 peak  2887 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.510 ppm2      4.955 CV     1
 OR { 2887}
   (( segid "    " and resid 100  and name HN  ))
   (( segid "    " and resid 3    and name HA  ))
 ASSI { 2895}
   (( segid "    " and resid 100  and name HN  ))
   (( segid "    " and resid 59   and name HA  ))
      6.000     4.500     0.000 peak  2895 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.509 ppm2      4.812 CV     1
 OR { 2895}
   (( segid "    " and resid 100  and name HN  ))
   (( segid "    " and resid 142  and name HA  ))
 ASSI { 2907}
   (( segid "    " and resid 100  and name HN  ))
   (  segid "    " and resid 3    and name HB% )
      6.000     4.500     0.000 peak  2907 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.500 ppm2      1.183 CV     1
 OR { 2907}
   (( segid "    " and resid 100  and name HN  ))
   (( segid "    " and resid 128  and name HB2 ))
 OR { 2907}
   (( segid "    " and resid 100  and name HN  ))
   (( segid "    " and resid 135  and name HG  ))
 ASSI { 2922}
   (( segid "    " and resid 71   and name HD21))
   (( segid "    " and resid 68   and name HA  ))
      6.000     4.500     0.000 peak  2922 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.187 ppm2      4.318 CV     1
 OR { 2922}
   (( segid "    " and resid 71   and name HD21))
   (( segid "    " and resid 71   and name HA  ))
 ASSI { 2939}
   (( segid "    " and resid 149  and name HN  ))
   (( segid "    " and resid 149  and name HA  ))
      6.000     4.500     0.000 peak  2939 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.299 ppm2      4.039 CV     1
 OR { 2939}
   (( segid "    " and resid 149  and name HN  ))
   (( segid "    " and resid 150  and name HA  ))
 ASSI { 2941}
   (( segid "    " and resid 149  and name HN  ))
   (( segid "    " and resid 147  and name HA  ))
      6.000     4.500     0.000 peak  2941 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.300 ppm2      3.652 CV     1
 OR { 2941}
   (( segid "    " and resid 149  and name HN  ))
   (( segid "    " and resid 146  and name HA  ))
 ASSI { 2957}
   (( segid "    " and resid 71   and name HD22))
   (( segid "    " and resid 68   and name HA  ))
      6.000     4.500     0.000 peak  2957 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.434 ppm2      4.306 CV     1
 OR { 2957}
   (( segid "    " and resid 71   and name HD22))
   (( segid "    " and resid 71   and name HA  ))
 ASSI { 2963}
   (( segid "    " and resid 71   and name HD21))
   (( segid "    " and resid 68   and name HG2 ))
      6.000     4.500     0.000 peak  2963 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.181 ppm2      2.393 CV     1
 OR { 2963}
   (( segid "    " and resid 71   and name HD21))
   (( segid "    " and resid 74   and name HG1 ))
 ASSI { 2973}
   (( segid "    " and resid 123  and name HN  ))
   (( segid "    " and resid 121  and name HD2 ))
      6.000     4.500     0.000 peak  2973 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.045 ppm2      2.413 CV     1
 OR { 2973}
   (( segid "    " and resid 123  and name HN  ))
   (( segid "    " and resid 55   and name HB2 ))
 ASSI { 2974}
   (( segid "    " and resid 123  and name HN  ))
   (( segid "    " and resid 121  and name HG2 ))
      6.000     4.500     0.000 peak  2974 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.048 ppm2      1.070 CV     1
 OR { 2974}
   (( segid "    " and resid 123  and name HN  ))
   (( segid "    " and resid 125  and name HB2 ))
 OR { 2974}
   (( segid "    " and resid 123  and name HN  ))
   (( segid "    " and resid 147  and name HB2 ))
 ASSI { 2986}
   (( segid "    " and resid 145  and name HE21))
   (( segid "    " and resid 148  and name HB2 ))
      6.000     4.500     0.000 peak  2986 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.591 ppm2      3.257 CV     1
 OR { 2986}
   (( segid "    " and resid 145  and name HE21))
   (( segid "    " and resid 144  and name HD1 ))
 OR { 2986}
   (( segid "    " and resid 145  and name HE21))
   (( segid "    " and resid 144  and name HD2 ))
 ASSI { 2993}
   (( segid "    " and resid 145  and name HE21))
   (( segid "    " and resid 143  and name HA  ))
      6.000     4.500     0.000 peak  2993 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.580 ppm2      4.095 CV     1
 OR { 2993}
   (( segid "    " and resid 145  and name HE21))
   (( segid "    " and resid 122  and name HA2 ))
 ASSI { 2994}
   (( segid "    " and resid 145  and name HE21))
   (( segid "    " and resid 144  and name HB2 ))
      6.000     4.500     0.000 peak  2994 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.584 ppm2      1.804 CV     1
 OR { 2994}
   (( segid "    " and resid 145  and name HE21))
   (( segid "    " and resid 146  and name HB  ))
 ASSI { 2995}
   (( segid "    " and resid 145  and name HE21))
   (( segid "    " and resid 125  and name HB2 ))
      6.000     4.500     0.000 peak  2995 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.579 ppm2      1.067 CV     1
 OR { 2995}
   (( segid "    " and resid 145  and name HE21))
   (( segid "    " and resid 147  and name HB2 ))
 ASSI { 2996}
   (( segid "    " and resid 103  and name HD22))
   (( segid "    " and resid 138  and name HA  ))
      6.000     4.500     0.000 peak  2996 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.573 ppm2      4.480 CV     1
 OR { 2996}
   (( segid "    " and resid 145  and name HE21))
   (( segid "    " and resid 148  and name HA  ))
 ASSI { 3007}
   (( segid "    " and resid 123  and name HN  ))
   (( segid "    " and resid 123  and name HB2 ))
      6.000     4.500     0.000 peak  3007 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.046 ppm2      3.173 CV     1
 OR { 3007}
   (( segid "    " and resid 123  and name HN  ))
   (( segid "    " and resid 127  and name HD1 ))
 ASSI { 3009}
   (( segid "    " and resid 123  and name HN  ))
   (( segid "    " and resid 121  and name HD1 ))
      6.000     4.500     0.000 peak  3009 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.047 ppm2      2.593 CV     1
 OR { 3009}
   (( segid "    " and resid 123  and name HN  ))
   (( segid "    " and resid 127  and name HB1 ))
 ASSI { 3013}
   (( segid "    " and resid 123  and name HN  ))
   (( segid "    " and resid 155  and name HG  ))
      6.000     4.500     0.000 peak  3013 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.047 ppm2      0.909 CV     1
 OR { 3013}
   (( segid "    " and resid 123  and name HN  ))
   (( segid "    " and resid 147  and name HG  ))
 OR { 3013}
   (( segid "    " and resid 123  and name HN  ))
   (( segid "    " and resid 125  and name HB1 ))
 ASSI { 3018}
   (( segid "    " and resid 123  and name HN  ))
   (( segid "    " and resid 121  and name HG1 ))
      6.000     4.500     0.000 peak  3018 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.037 ppm2      1.394 CV     1
 OR { 3018}
   (( segid "    " and resid 123  and name HN  ))
   (( segid "    " and resid 127  and name HG1 ))
 ASSI { 3024}
   (( segid "    " and resid 103  and name HD21))
   (( segid "    " and resid 138  and name HA  ))
      6.000     4.500     0.000 peak  3024 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.984 ppm2      4.482 CV     1
 OR { 3024}
   (( segid "    " and resid 103  and name HD21))
   (( segid "    " and resid 136  and name HA  ))
 ASSI { 3029}
   (( segid "    " and resid 145  and name HE22))
   (( segid "    " and resid 148  and name HB2 ))
      6.000     4.500     0.000 peak  3029 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.941 ppm2      3.257 CV     1
 OR { 3029}
   (( segid "    " and resid 145  and name HE22))
   (( segid "    " and resid 144  and name HD1 ))
 OR { 3029}
   (( segid "    " and resid 145  and name HE22))
   (( segid "    " and resid 144  and name HD2 ))
 ASSI { 3035}
   (( segid "    " and resid 139  and name HN  ))
   (( segid "    " and resid 137  and name HA  ))
      6.000     4.500     0.000 peak  3035 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.500 ppm2      4.310 CV     1
 OR { 3035}
   (( segid "    " and resid 139  and name HN  ))
   (( segid "    " and resid 141  and name HA  ))
 ASSI { 3049}
   (( segid "    " and resid 103  and name HD21))
   (  segid "    " and resid 105  and name HG2%)
      6.000     4.500     0.000 peak  3049 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.978 ppm2      1.002 CV     1
 OR { 3049}
   (( segid "    " and resid 103  and name HD21))
   (  segid "    " and resid 136  and name HG1%)
 OR { 3049}
   (( segid "    " and resid 103  and name HD21))
   (  segid "    " and resid 136  and name HG2%)
 OR { 3049}
   (( segid "    " and resid 103  and name HD21))
   (  segid "    " and resid 105  and name HG1%)
 ASSI { 3076}
   (( segid "    " and resid 139  and name HN  ))
   (( segid "    " and resid 114  and name HD1 ))
      6.000     4.500     0.000 peak  3076 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.498 ppm2      4.139 CV     1
 OR { 3076}
   (( segid "    " and resid 139  and name HN  ))
   (( segid "    " and resid 133  and name HA  ))
 ASSI { 3079}
   (( segid "    " and resid 139  and name HN  ))
   (( segid "    " and resid 137  and name HB1 ))
      6.000     4.500     0.000 peak  3079 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.497 ppm2      3.243 CV     1
 OR { 3079}
   (( segid "    " and resid 139  and name HN  ))
   (( segid "    " and resid 148  and name HB2 ))
 ASSI { 3087}
   (( segid "    " and resid 139  and name HN  ))
   (( segid "    " and resid 139  and name HA  ))
      6.000     4.500     0.000 peak  3087 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.496 ppm2      4.493 CV     1
 OR { 3087}
   (( segid "    " and resid 139  and name HN  ))
   (( segid "    " and resid 138  and name HA  ))
 ASSI { 3111}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 58   and name HA  ))
      6.000     4.500     0.000 peak  3111 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.357 ppm2      4.923 CV     1
 OR { 3111}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 32   and name HA  ))
 ASSI { 3118}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 36   and name HB  ))
      6.000     4.500     0.000 peak  3118 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.359 ppm2      1.954 CV     1
 OR { 3118}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 58   and name HB  ))
 OR { 3118}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 25   and name HG  ))
 ASSI { 3122}
   (( segid "    " and resid 35   and name HN  ))
   (  segid "    " and resid 35   and name HG2%)
      6.000     4.500     0.000 peak  3122 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.362 ppm2      1.242 CV     1
 OR { 3122}
   (( segid "    " and resid 35   and name HN  ))
   (  segid "    " and resid 59   and name HB% )
 ASSI { 3123}
   (( segid "    " and resid 35   and name HN  ))
   (  segid "    " and resid 36   and name HG1%)
      6.000     4.500     0.000 peak  3123 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.363 ppm2      1.100 CV     1
 OR { 3123}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 5    and name HG11))
 ASSI { 3124}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 60   and name HB2 ))
      6.000     4.500     0.000 peak  3124 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.363 ppm2      0.984 CV     1
 OR { 3124}
   (( segid "    " and resid 35   and name HN  ))
   (  segid "    " and resid 58   and name HG1%)
 ASSI { 3125}
   (( segid "    " and resid 35   and name HN  ))
   (  segid "    " and resid 33   and name HG2%)
      6.000     4.500     0.000 peak  3125 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.363 ppm2      0.780 CV     1
 OR { 3125}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 34   and name HG  ))
 ASSI { 3149}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 50   and name HN  ))
      6.000     4.500     0.000 peak  3149 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.321 ppm2      7.627 CV     1
 OR { 3149}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 48   and name HE22))
 ASSI { 3167}
   (( segid "    " and resid 120  and name HN  ))
   (( segid "    " and resid 119  and name HN  ))
      6.000     4.500     0.000 peak  3167 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.504 ppm2      8.073 CV     1
 OR { 3167}
   (( segid "    " and resid 120  and name HN  ))
   (( segid "    " and resid 120  and name HD21))
 ASSI { 3172}
   (( segid "    " and resid 120  and name HN  ))
   (( segid "    " and resid 120  and name HA  ))
      6.000     4.500     0.000 peak  3172 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.503 ppm2      5.012 CV     1
 OR { 3172}
   (( segid "    " and resid 120  and name HN  ))
   (( segid "    " and resid 117  and name HA  ))
 ASSI { 3173}
   (( segid "    " and resid 120  and name HN  ))
   (( segid "    " and resid 119  and name HA  ))
      6.000     4.500     0.000 peak  3173 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.507 ppm2      3.808 CV     1
 OR { 3173}
   (( segid "    " and resid 120  and name HN  ))
   (( segid "    " and resid 118  and name HA  ))
 ASSI { 3181}
   (( segid "    " and resid 120  and name HN  ))
   (( segid "    " and resid 121  and name HG2 ))
      6.000     4.500     0.000 peak  3181 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.504 ppm2      1.068 CV     1
 OR { 3181}
   (( segid "    " and resid 120  and name HN  ))
   (( segid "    " and resid 147  and name HB2 ))
 ASSI { 3182}
   (( segid "    " and resid 120  and name HN  ))
   (( segid "    " and resid 121  and name HB1 ))
      6.000     4.500     0.000 peak  3182 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.502 ppm2      0.960 CV     1
 OR { 3182}
   (( segid "    " and resid 120  and name HN  ))
   (( segid "    " and resid 146  and name HG12))
 ASSI { 3189}
   (( segid "    " and resid 19   and name HD21))
   (( segid "    " and resid 20   and name HN  ))
      6.000     4.500     0.000 peak  3189 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.396 ppm2      8.184 CV     1
 OR { 3189}
   (( segid "    " and resid 19   and name HD21))
   (( segid "    " and resid 17   and name HN  ))
 OR { 3189}
   (( segid "    " and resid 19   and name HD21))
   (( segid "    " and resid 15   and name HN  ))
 ASSI { 3201}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 32   and name HA  ))
      6.000     4.500     0.000 peak  3201 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.283 ppm2      4.938 CV     1
 OR { 3201}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 27   and name HA  ))
 ASSI { 3208}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 30   and name HB1 ))
      6.000     4.500     0.000 peak  3208 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.281 ppm2      2.390 CV     1
 OR { 3208}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 29   and name HB2 ))
 ASSI { 3213}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 69   and name HB2 ))
      6.000     4.500     0.000 peak  3213 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.281 ppm2      1.274 CV     1
 OR { 3213}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 60   and name HG  ))
 ASSI { 3220}
   (( segid "    " and resid 19   and name HD22))
   (( segid "    " and resid 20   and name HN  ))
      6.000     4.500     0.000 peak  3220 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.844 ppm2      8.186 CV     1
 OR { 3220}
   (( segid "    " and resid 19   and name HD22))
   (( segid "    " and resid 15   and name HN  ))
 OR { 3220}
   (( segid "    " and resid 19   and name HD22))
   (( segid "    " and resid 17   and name HN  ))
 ASSI { 3223}
   (( segid "    " and resid 17   and name HE21))
   (( segid "    " and resid 17   and name HG1 ))
      6.000     4.500     0.000 peak  3223 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.842 ppm2      2.318 CV     1
 OR { 3223}
   (( segid "    " and resid 17   and name HE21))
   (( segid "    " and resid 17   and name HG2 ))
 OR { 3223}
   (( segid "    " and resid 17   and name HE21))
   (( segid "    " and resid 80   and name HB1 ))
 ASSI { 3230}
   (( segid "    " and resid 17   and name HE22))
   (( segid "    " and resid 77   and name HB1 ))
      6.000     4.500     0.000 peak  3230 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.774 ppm2      1.866 CV     1
 OR { 3230}
   (( segid "    " and resid 17   and name HE22))
   (( segid "    " and resid 76   and name HB  ))
 ASSI { 3231}
   (( segid "    " and resid 17   and name HE22))
   (( segid "    " and resid 11   and name HG  ))
      6.000     4.500     0.000 peak  3231 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.773 ppm2      0.857 CV     1
 OR { 3231}
   (( segid "    " and resid 17   and name HE22))
   (  segid "    " and resid 76   and name HG2%)
 ASSI { 3233}
   (( segid "    " and resid 17   and name HE22))
   (( segid "    " and resid 80   and name HB1 ))
      6.000     4.500     0.000 peak  3233 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.769 ppm2      2.323 CV     1
 OR { 3233}
   (( segid "    " and resid 17   and name HE22))
   (( segid "    " and resid 17   and name HG1 ))
 OR { 3233}
   (( segid "    " and resid 17   and name HE22))
   (( segid "    " and resid 17   and name HG2 ))
 ASSI { 3264}
   (( segid "    " and resid 140  and name HN  ))
   (( segid "    " and resid 138  and name HD2 ))
      6.000     4.500     0.000 peak  3264 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.365 ppm2      4.042 CV     1
 OR { 3264}
   (( segid "    " and resid 140  and name HN  ))
   (( segid "    " and resid 138  and name HD1 ))
 OR { 3264}
   (( segid "    " and resid 140  and name HN  ))
   (( segid "    " and resid 149  and name HA  ))
 OR { 3264}
   (( segid "    " and resid 140  and name HN  ))
   (( segid "    " and resid 150  and name HA  ))
 ASSI { 3292}
   (( segid "    " and resid 140  and name HN  ))
   (( segid "    " and resid 137  and name HB1 ))
      6.000     4.500     0.000 peak  3292 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.367 ppm2      3.252 CV     1
 OR { 3292}
   (( segid "    " and resid 140  and name HN  ))
   (( segid "    " and resid 148  and name HB2 ))
 OR { 3292}
   (( segid "    " and resid 140  and name HN  ))
   (( segid "    " and resid 144  and name HD1 ))
 ASSI { 3298}
   (( segid "    " and resid 140  and name HN  ))
   (( segid "    " and resid 138  and name HB2 ))
      6.000     4.500     0.000 peak  3298 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.367 ppm2      1.852 CV     1
 OR { 3298}
   (( segid "    " and resid 140  and name HN  ))
   (( segid "    " and resid 141  and name HB2 ))
 ASSI { 3322}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 94   and name HB2 ))
      6.000     4.500     0.000 peak  3322 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.612 ppm2      1.424 CV     1
 OR { 3322}
   (( segid "    " and resid 81   and name HN  ))
   (  segid "    " and resid 21   and name HB% )
 ASSI { 3338}
   (( segid "    " and resid 131  and name HN  ))
   (( segid "    " and resid 132  and name HA  ))
      6.000     4.500     0.000 peak  3338 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.917 ppm2      4.779 CV     1
 OR { 3338}
   (( segid "    " and resid 131  and name HN  ))
   (( segid "    " and resid 36   and name HA  ))
 ASSI { 3348}
   (( segid "    " and resid 131  and name HN  ))
   (  segid "    " and resid 35   and name HG2%)
      6.000     4.500     0.000 peak  3348 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.917 ppm2      1.249 CV     1
 OR { 3348}
   (( segid "    " and resid 131  and name HN  ))
   (  segid "    " and resid 59   and name HB% )
 ASSI { 3365}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 27   and name HA  ))
      6.000     4.500     0.000 peak  3365 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.583 ppm2      4.925 CV     1
 OR { 3365}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 32   and name HA  ))
 ASSI { 3367}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 26   and name HA2 ))
      6.000     4.500     0.000 peak  3367 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.582 ppm2      3.885 CV     1
 OR { 3367}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 25   and name HA  ))
 ASSI { 3371}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 25   and name HG  ))
      6.000     4.500     0.000 peak  3371 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.581 ppm2      1.931 CV     1
 OR { 3371}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 58   and name HB  ))
 ASSI { 3373}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 33   and name HG12))
      6.000     4.500     0.000 peak  3373 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.580 ppm2      1.542 CV     1
 OR { 3373}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 33   and name HG11))
 OR { 3373}
   (( segid "    " and resid 26   and name HN  ))
   (  segid "    " and resid 24   and name HB% )
 ASSI { 3376}
   (( segid "    " and resid 26   and name HN  ))
   (  segid "    " and resid 22   and name HD2%)
      6.000     4.500     0.000 peak  3376 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.578 ppm2      1.086 CV     1
 OR { 3376}
   (( segid "    " and resid 26   and name HN  ))
   (  segid "    " and resid 73   and name HG2%)
 ASSI { 3378}
   (( segid "    " and resid 26   and name HN  ))
   (  segid "    " and resid 25   and name HD2%)
      6.000     4.500     0.000 peak  3378 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.581 ppm2      0.847 CV     1
 OR { 3378}
   (( segid "    " and resid 26   and name HN  ))
   (  segid "    " and resid 25   and name HD1%)
 OR { 3378}
   (( segid "    " and resid 26   and name HN  ))
   (  segid "    " and resid 33   and name HD1%)
 ASSI {   13}
   (( segid "    " and resid 62   and name HB  ))
   (  segid "    " and resid 60   and name HD1%)
      6.000     4.500     0.000 peak    13 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.809 ppm2      0.706 CV     1
 OR {   13}
   (( segid "    " and resid 62   and name HB  ))
   (  segid "    " and resid 64   and name HD1%)
 OR {   13}
   (( segid "    " and resid 62   and name HB  ))
   (  segid "    " and resid 64   and name HD2%)
 ASSI {   21}
   (( segid "    " and resid 35   and name HB  ))
   (( segid "    " and resid 36   and name HN  ))
      6.000     4.500     0.000 peak    21 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.098 ppm2      8.284 CV     1
 OR {   21}
   (( segid "    " and resid 35   and name HB  ))
   (( segid "    " and resid 132  and name HN  ))
 ASSI {   44}
   (( segid "    " and resid 149  and name HB  ))
   (( segid "    " and resid 148  and name HN  ))
      6.000     4.500     0.000 peak    44 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.183 ppm2      7.560 CV     1
 OR {   44}
   (( segid "    " and resid 149  and name HB  ))
   (( segid "    " and resid 151  and name HN  ))
 ASSI {   59}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 22   and name HN  ))
      6.000     4.500     0.000 peak    59 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.325 ppm2      8.541 CV     1
 OR {   59}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 9    and name HN  ))
 ASSI {   60}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 20   and name HN  ))
      6.000     4.500     0.000 peak    60 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.324 ppm2      8.182 CV     1
 OR {   60}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 17   and name HN  ))
 ASSI {   62}
   (( segid "    " and resid 18   and name HA  ))
   (  segid "    " and resid 21   and name HB% )
      6.000     4.500     0.000 peak    62 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.325 ppm2      1.435 CV     1
 OR {   62}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 7    and name HB  ))
 OR {   62}
   (( segid "    " and resid 18   and name HA  ))
   (  segid "    " and resid 56   and name HB% )
 OR {   62}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 22   and name HB1 ))
 ASSI {   66}
   (( segid "    " and resid 73   and name HB  ))
   (( segid "    " and resid 76   and name HB  ))
      6.000     4.500     0.000 peak    66 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.918 ppm2      1.880 CV     1
 OR {   66}
   (( segid "    " and resid 73   and name HB  ))
   (( segid "    " and resid 77   and name HB1 ))
 OR {   66}
   (( segid "    " and resid 73   and name HB  ))
   (( segid "    " and resid 70   and name HB1 ))
 ASSI {   71}
   (( segid "    " and resid 73   and name HB  ))
   (( segid "    " and resid 96   and name HB1 ))
      6.000     4.500     0.000 peak    71 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.912 ppm2      2.070 CV     1
 OR {   71}
   (( segid "    " and resid 73   and name HB  ))
   (( segid "    " and resid 76   and name HG11))
 ASSI {   73}
   (( segid "    " and resid 73   and name HB  ))
   (  segid "    " and resid 5    and name HG2%)
      6.000     4.500     0.000 peak    73 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.911 ppm2      0.850 CV     1
 OR {   73}
   (( segid "    " and resid 73   and name HB  ))
   (  segid "    " and resid 76   and name HG2%)
 ASSI {   77}
   (( segid "    " and resid 73   and name HA  ))
   (  segid "    " and resid 25   and name HD1%)
      6.000     4.500     0.000 peak    77 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.257 ppm2      0.816 CV     1
 OR {   77}
   (( segid "    " and resid 73   and name HA  ))
   (  segid "    " and resid 5    and name HG2%)
 ASSI {   95}
   (( segid "    " and resid 66   and name HA  ))
   (( segid "    " and resid 70   and name HB1 ))
      6.000     4.500     0.000 peak    95 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.338 ppm2      1.844 CV     1
 OR {   95}
   (( segid "    " and resid 66   and name HA  ))
   (( segid "    " and resid 67   and name HB2 ))
 OR {   95}
   (( segid "    " and resid 66   and name HA  ))
   (( segid "    " and resid 67   and name HB1 ))
 ASSI {   97}
   (( segid "    " and resid 66   and name HA  ))
   (( segid "    " and resid 66   and name HG1 ))
      6.000     4.500     0.000 peak    97 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.340 ppm2      0.763 CV     1
 OR {   97}
   (( segid "    " and resid 66   and name HA  ))
   (  segid "    " and resid 98   and name HG2%)
 ASSI {  111}
   (( segid "    " and resid 37   and name HB2 ))
   (  segid "    " and resid 57   and name HB% )
      6.000     4.500     0.000 peak   111 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.043 ppm2      1.329 CV     1
 OR {  111}
   (( segid "    " and resid 37   and name HB1 ))
   (  segid "    " and resid 57   and name HB% )
 OR {  111}
   (( segid "    " and resid 37   and name HB2 ))
   (  segid "    " and resid 36   and name HG2%)
 OR {  111}
   (( segid "    " and resid 37   and name HB1 ))
   (  segid "    " and resid 36   and name HG2%)
 ASSI {  114}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 79   and name HG2 ))
      6.000     4.500     0.000 peak   114 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.753 ppm2      2.607 CV     1
 OR {  114}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 77   and name HB2 ))
 ASSI {  118}
   (( segid "    " and resid 9    and name HB1 ))
   (  segid "    " and resid 18   and name HG2%)
      6.000     4.500     0.000 peak   118 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.682 ppm2      0.645 CV     1
 OR {  118}
   (( segid "    " and resid 9    and name HB1 ))
   (  segid "    " and resid 7    and name HD1%)
 ASSI {  121}
   (( segid "    " and resid 9    and name HB2 ))
   (( segid "    " and resid 18   and name HN  ))
      6.000     4.500     0.000 peak   121 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.173 ppm2      8.535 CV     1
 OR {  121}
   (( segid "    " and resid 9    and name HB2 ))
   (( segid "    " and resid 9    and name HN  ))
 ASSI {  124}
   (( segid "    " and resid 9    and name HB2 ))
   (( segid "    " and resid 11   and name HG  ))
      6.000     4.500     0.000 peak   124 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.174 ppm2      0.905 CV     1
 OR {  124}
   (( segid "    " and resid 9    and name HB2 ))
   (( segid "    " and resid 54   and name HB2 ))
 OR {  124}
   (( segid "    " and resid 9    and name HB2 ))
   (  segid "    " and resid 96   and name HD2%)
 OR {  124}
   (( segid "    " and resid 9    and name HB2 ))
   (  segid "    " and resid 96   and name HD1%)
 ASSI {  126}
   (( segid "    " and resid 9    and name HB2 ))
   (  segid "    " and resid 21   and name HB% )
      6.000     4.500     0.000 peak   126 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.165 ppm2      1.461 CV     1
 OR {  126}
   (( segid "    " and resid 9    and name HB2 ))
   (( segid "    " and resid 7    and name HB  ))
 OR {  126}
   (( segid "    " and resid 9    and name HB2 ))
   (  segid "    " and resid 56   and name HB% )
 ASSI {  139}
   (( segid "    " and resid 76   and name HA  ))
   (  segid "    " and resid 20   and name HB% )
      6.000     4.500     0.000 peak   139 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.755 ppm2      1.531 CV     1
 OR {  139}
   (( segid "    " and resid 76   and name HA  ))
   (  segid "    " and resid 24   and name HB% )
 ASSI {  147}
   (( segid "    " and resid 146  and name HA  ))
   (( segid "    " and resid 141  and name HG1 ))
      6.000     4.500     0.000 peak   147 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.635 ppm2      2.282 CV     1
 OR {  147}
   (( segid "    " and resid 146  and name HA  ))
   (( segid "    " and resid 119  and name HE1 ))
 ASSI {  157}
   (( segid "    " and resid 146  and name HA  ))
   (  segid "    " and resid 149  and name HG2%)
      6.000     4.500     0.000 peak   157 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.639 ppm2      1.269 CV     1
 OR {  157}
   (( segid "    " and resid 146  and name HA  ))
   (( segid "    " and resid 119  and name HG2 ))
 ASSI {  170}
   (( segid "    " and resid 133  and name HA  ))
   (( segid "    " and resid 144  and name HB2 ))
      6.000     6.000     0.000 peak   170 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.140 ppm2      1.777 CV     1
 OR {  170}
   (( segid "    " and resid 133  and name HA  ))
   (( segid "    " and resid 141  and name HB1 ))
 ASSI {  173}
   (( segid "    " and resid 133  and name HA  ))
   (( segid "    " and resid 143  and name HG  ))
      6.000     4.500     0.000 peak   173 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.139 ppm2      0.957 CV     1
 OR {  173}
   (( segid "    " and resid 133  and name HA  ))
   (( segid "    " and resid 125  and name HB1 ))
 ASSI {  177}
   (( segid "    " and resid 149  and name HA  ))
   (( segid "    " and resid 151  and name HN  ))
      6.000     4.500     0.000 peak   177 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.035 ppm2      7.556 CV     1
 OR {  177}
   (( segid "    " and resid 149  and name HA  ))
   (( segid "    " and resid 148  and name HN  ))
 ASSI {  182}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 18   and name HB  ))
      6.000     4.500     0.000 peak   182 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.308 ppm2      1.561 CV     1
 OR {  182}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 15   and name HB2 ))
 ASSI {  183}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 15   and name HN  ))
      6.000     4.500     0.000 peak   183 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.301 ppm2      8.183 CV     1
 OR {  183}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 17   and name HN  ))
 ASSI {  223}
   (( segid "    " and resid 98   and name HA  ))
   (( segid "    " and resid 98   and name HG11))
      6.000     4.500     0.000 peak   223 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.178 ppm2      0.939 CV     1
 OR {  223}
   (( segid "    " and resid 98   and name HA  ))
   (  segid "    " and resid 69   and name HD2%)
 ASSI {  226}
   (( segid "    " and resid 33   and name HA  ))
   (  segid "    " and resid 33   and name HG2%)
      6.000     4.500     0.000 peak   226 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.868 ppm2      0.779 CV     1
 OR {  226}
   (( segid "    " and resid 33   and name HA  ))
   (  segid "    " and resid 28   and name HD1%)
 ASSI {  227}
   (( segid "    " and resid 33   and name HA  ))
   (  segid "    " and resid 60   and name HD1%)
      6.000     4.500     0.000 peak   227 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.869 ppm2      0.739 CV     1
 OR {  227}
   (( segid "    " and resid 33   and name HA  ))
   (  segid "    " and resid 33   and name HG2%)
 ASSI {  234}
   (( segid "    " and resid 112  and name HA  ))
   (( segid "    " and resid 111  and name HG  ))
      6.000     4.500     0.000 peak   234 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.209 ppm2      1.015 CV     1
 OR {  234}
   (( segid "    " and resid 112  and name HA  ))
   (( segid "    " and resid 106  and name HG12))
 OR {  234}
   (( segid "    " and resid 112  and name HA  ))
   (( segid "    " and resid 106  and name HG11))
 ASSI {  240}
   (( segid "    " and resid 2    and name HA  ))
   (( segid "    " and resid 2    and name HB  ))
      6.000     4.500     0.000 peak   240 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.211 ppm2      1.749 CV     1
 OR {  240}
   (( segid "    " and resid 2    and name HA  ))
   (( segid "    " and resid 61   and name HB2 ))
 ASSI {  246}
   (( segid "    " and resid 33   and name HA  ))
   (  segid "    " and resid 59   and name HB% )
      6.000     4.500     0.000 peak   246 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.877 ppm2      1.250 CV     1
 OR {  246}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 25   and name HB2 ))
 OR {  246}
   (( segid "    " and resid 33   and name HA  ))
   (  segid "    " and resid 35   and name HG2%)
 ASSI {  247}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 34   and name HN  ))
      6.000     4.500     0.000 peak   247 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.869 ppm2      9.152 CV     1
 OR {  247}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 33   and name HN  ))
 ASSI {  258}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 51   and name HB2 ))
      6.000     4.500     0.000 peak   258 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.433 ppm2      2.006 CV     1
 OR {  258}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 44   and name HG1 ))
 ASSI {  265}
   (( segid "    " and resid 114  and name HA  ))
   (( segid "    " and resid 113  and name HA  ))
      6.000     4.500     0.000 peak   265 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.429 ppm2      4.310 CV     1
 OR {  265}
   (( segid "    " and resid 114  and name HA  ))
   (( segid "    " and resid 137  and name HA  ))
 ASSI {  272}
   (( segid "    " and resid 114  and name HA  ))
   (( segid "    " and resid 138  and name HB2 ))
      6.000     4.500     0.000 peak   272 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.422 ppm2      1.861 CV     1
 OR {  272}
   (( segid "    " and resid 114  and name HA  ))
   (( segid "    " and resid 113  and name HB  ))
 ASSI {  300}
   (( segid "    " and resid 1    and name HA  ))
   (( segid "    " and resid 2    and name HB  ))
      6.000     4.500     0.000 peak   300 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.606 ppm2      1.740 CV     1
 OR {  300}
   (( segid "    " and resid 1    and name HA  ))
   (( segid "    " and resid 61   and name HB2 ))
 ASSI {  301}
   (( segid "    " and resid 38   and name HB1 ))
   (( segid "    " and resid 157  and name HG2 ))
      6.000     4.500     0.000 peak   301 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.605 ppm2      1.184 CV     1
 OR {  301}
   (( segid "    " and resid 1    and name HA  ))
   (  segid "    " and resid 3    and name HB% )
 OR {  301}
   (( segid "    " and resid 38   and name HB1 ))
   (( segid "    " and resid 128  and name HB2 ))
 ASSI {  314}
   (( segid "    " and resid 158  and name HA  ))
   (( segid "    " and resid 54   and name HB1 ))
      6.000     4.500     0.000 peak   314 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.868 ppm2      0.628 CV     1
 OR {  314}
   (( segid "    " and resid 158  and name HA  ))
   (  segid "    " and resid 18   and name HG2%)
 ASSI {  322}
   (( segid "    " and resid 38   and name HB2 ))
   (( segid "    " and resid 157  and name HE2 ))
      6.000     4.500     0.000 peak   322 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.740 ppm2      2.912 CV     1
 OR {  322}
   (( segid "    " and resid 38   and name HB2 ))
   (( segid "    " and resid 157  and name HE1 ))
 OR {  322}
   (( segid "    " and resid 38   and name HB2 ))
   (( segid "    " and resid 129  and name HB1 ))
 ASSI {  330}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 74   and name HB2 ))
      6.000     4.500     0.000 peak   330 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.379 ppm2      2.195 CV     1
 OR {  330}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 74   and name HB1 ))
 OR {  330}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 69   and name HB1 ))
 ASSI {  336}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 43   and name HB1 ))
      6.000     4.500     0.000 peak   336 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.093 ppm2      2.001 CV     1
 OR {  336}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 44   and name HG1 ))
 ASSI {  368}
   (( segid "    " and resid 77   and name HA  ))
   (( segid "    " and resid 81   and name HN  ))
      6.000     4.500     0.000 peak   368 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.687 ppm2      7.621 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 77   and name HB1 ))
      6.000     4.500     0.000 peak   370 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.686 ppm2      1.860 CV     1
 OR {  370}
   (( segid "    " and resid 77   and name HA  ))
   (( segid "    " and resid 76   and name HB  ))
 ASSI {  375}
   (( segid "    " and resid 77   and name HA  ))
   (( segid "    " and resid 81   and name HA1 ))
      6.000     4.500     0.000 peak   375 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.680 ppm2      4.144 CV     1
 OR {  375}
   (( segid "    " and resid 77   and name HA  ))
   (( segid "    " and resid 81   and name HA2 ))
 OR {  375}
   (( segid "    " and resid 77   and name HA  ))
   (( segid "    " and resid 79   and name HA  ))
 ASSI {  380}
   (( segid "    " and resid 62   and name HA  ))
   (( segid "    " and resid 64   and name HG  ))
      6.000     4.500     0.000 peak   380 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.506 ppm2      0.722 CV     1
 OR {  380}
   (( segid "    " and resid 62   and name HA  ))
   (  segid "    " and resid 60   and name HD1%)
 OR {  380}
   (( segid "    " and resid 62   and name HA  ))
   (  segid "    " and resid 64   and name HD1%)
 OR {  380}
   (( segid "    " and resid 62   and name HA  ))
   (  segid "    " and resid 64   and name HD2%)
 ASSI {  387}
   (( segid "    " and resid 62   and name HA  ))
   (( segid "    " and resid 64   and name HB2 ))
      6.000     4.500     0.000 peak   387 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.494 ppm2      1.504 CV     1
 OR {  387}
   (( segid "    " and resid 62   and name HA  ))
   (( segid "    " and resid 5    and name HG12))
 ASSI {  408}
   (( segid "    " and resid 129  and name HA  ))
   (( segid "    " and resid 143  and name HG  ))
      6.000     4.500     0.000 peak   408 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.861 ppm2      0.954 CV     1
 OR {  408}
   (( segid "    " and resid 129  and name HA  ))
   (( segid "    " and resid 125  and name HB1 ))
 ASSI {  414}
   (( segid "    " and resid 118  and name HA  ))
   (( segid "    " and resid 146  and name HB  ))
      6.000     4.500     0.000 peak   414 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.828 ppm2      1.829 CV     1
 OR {  414}
   (( segid "    " and resid 118  and name HA  ))
   (( segid "    " and resid 144  and name HB2 ))
 ASSI {  425}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 17   and name HN  ))
      6.000     4.500     0.000 peak   425 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.066 ppm2      8.194 CV     1
 OR {  425}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 15   and name HN  ))
 ASSI {  428}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 19   and name HD22))
      6.000     4.500     0.000 peak   428 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.065 ppm2      6.831 CV     1
 OR {  428}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 17   and name HE21))
 ASSI {  435}
   (( segid "    " and resid 113  and name HA  ))
   (( segid "    " and resid 101  and name HB2 ))
      6.000     4.500     0.000 peak   435 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.312 ppm2      2.292 CV     1
 OR {  435}
   (( segid "    " and resid 113  and name HA  ))
   (( segid "    " and resid 99   and name HB1 ))
 ASSI {  438}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 79   and name HG2 ))
      6.000     4.500     0.000 peak   438 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.134 ppm2      2.595 CV     1
 OR {  438}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 77   and name HB2 ))
 ASSI {  444}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 78   and name HB2 ))
      6.000     4.500     0.000 peak   444 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.121 ppm2      1.543 CV     1
 OR {  444}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 75   and name HG2 ))
 ASSI {  460}
   (( segid "    " and resid 67   and name HA  ))
   (( segid "    " and resid 111  and name HB1 ))
      6.000     4.500     0.000 peak   460 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.633 ppm2      1.301 CV     1
 OR {  460}
   (( segid "    " and resid 67   and name HA  ))
   (( segid "    " and resid 69   and name HB2 ))
 ASSI {  471}
   (( segid "    " and resid 144  and name HA  ))
   (( segid "    " and resid 125  and name HB2 ))
      6.000     4.500     0.000 peak   471 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.517 ppm2      1.082 CV     1
 OR {  471}
   (( segid "    " and resid 144  and name HA  ))
   (( segid "    " and resid 147  and name HB2 ))
 ASSI {  483}
   (( segid "    " and resid 113  and name HA  ))
   (( segid "    " and resid 113  and name HB  ))
      6.000     4.500     0.000 peak   483 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.301 ppm2      1.857 CV     1
 OR {  483}
   (( segid "    " and resid 137  and name HA  ))
   (( segid "    " and resid 138  and name HB2 ))
 ASSI {  510}
   (( segid "    " and resid 119  and name HA  ))
   (( segid "    " and resid 119  and name HG1 ))
      6.000     4.500     0.000 peak   510 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.785 ppm2      0.462 CV     1
 OR {  510}
   (( segid "    " and resid 119  and name HA  ))
   (  segid "    " and resid 125  and name HD1%)
 OR {  510}
   (( segid "    " and resid 119  and name HA  ))
   (  segid "    " and resid 146  and name HD1%)
 ASSI {  514}
   (( segid "    " and resid 119  and name HA  ))
   (( segid "    " and resid 119  and name HG2 ))
      6.000     4.500     0.000 peak   514 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.781 ppm2      1.255 CV     1
 OR {  514}
   (( segid "    " and resid 119  and name HA  ))
   (( segid "    " and resid 150  and name HB1 ))
 ASSI {  531}
   (( segid "    " and resid 69   and name HA  ))
   (( segid "    " and resid 28   and name HB  ))
      6.000     4.500     0.000 peak   531 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.168 ppm2      1.514 CV     1
 OR {  531}
   (( segid "    " and resid 69   and name HA  ))
   (  segid "    " and resid 24   and name HB% )
 ASSI {  539}
   (( segid "    " and resid 143  and name HA  ))
   (( segid "    " and resid 125  and name HB1 ))
      6.000     4.500     0.000 peak   539 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.082 ppm2      0.943 CV     1
 OR {  539}
   (( segid "    " and resid 143  and name HA  ))
   (( segid "    " and resid 143  and name HG  ))
 ASSI {  540}
   (( segid "    " and resid 143  and name HA  ))
   (  segid "    " and resid 125  and name HD1%)
      6.000     4.500     0.000 peak   540 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.081 ppm2      0.470 CV     1
 OR {  540}
   (( segid "    " and resid 143  and name HA  ))
   (  segid "    " and resid 146  and name HD1%)
 ASSI {  550}
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 40   and name HB1 ))
      6.000     4.500     0.000 peak   550 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.153 ppm2      3.102 CV     1
 OR {  550}
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 158  and name HB2 ))
 ASSI {  554}
   (( segid "    " and resid 148  and name HA  ))
   (( segid "    " and resid 148  and name HN  ))
      6.000     4.500     0.000 peak   554 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.441 ppm2      7.561 CV     1
 OR {  554}
   (( segid "    " and resid 148  and name HA  ))
   (( segid "    " and resid 151  and name HN  ))
 ASSI {  567}
   (( segid "    " and resid 69   and name HA  ))
   (( segid "    " and resid 72   and name HN  ))
      6.000     4.500     0.000 peak   567 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.160 ppm2      7.692 CV     1
 OR {  567}
   (( segid "    " and resid 69   and name HA  ))
   (( segid "    " and resid 71   and name HN  ))
 ASSI {  568}
   (( segid "    " and resid 69   and name HA  ))
   (( segid "    " and resid 28   and name HB  ))
      6.000     4.500     0.000 peak   568 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.158 ppm2      1.568 CV     1
 OR {  568}
   (( segid "    " and resid 79   and name HA  ))
   (( segid "    " and resid 78   and name HB2 ))
 ASSI {  571}
   (( segid "    " and resid 143  and name HA  ))
   (( segid "    " and resid 118  and name HG2 ))
      6.000     4.500     0.000 peak   571 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.088 ppm2      2.152 CV     1
 OR {  571}
   (( segid "    " and resid 143  and name HA  ))
   (( segid "    " and resid 99   and name HG1 ))
 ASSI {  577}
   (( segid "    " and resid 124  and name HA  ))
   (( segid "    " and resid 124  and name HN  ))
      6.000     4.500     0.000 peak   577 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.404 ppm2      6.503 CV     1
 OR {  577}
   (( segid "    " and resid 124  and name HA  ))
   (( segid "    " and resid 128  and name HN  ))
 ASSI {  587}
   (( segid "    " and resid 79   and name HA  ))
   (( segid "    " and resid 81   and name HN  ))
      6.000     4.500     0.000 peak   587 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.169 ppm2      7.586 CV     1
 OR {  587}
   (( segid "    " and resid 79   and name HA  ))
   (( segid "    " and resid 78   and name HN  ))
 ASSI {  594}
   (( segid "    " and resid 22   and name HA  ))
   (  segid "    " and resid 22   and name HD1%)
      6.000     4.500     0.000 peak   594 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.955 ppm2      0.839 CV     1
 OR {  594}
   (( segid "    " and resid 22   and name HA  ))
   (  segid "    " and resid 25   and name HD2%)
 ASSI {  622}
   (( segid "    " and resid 123  and name HA  ))
   (( segid "    " and resid 123  and name HB2 ))
      6.000     4.500     0.000 peak   622 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.337 ppm2      3.173 CV     1
 OR {  622}
   (( segid "    " and resid 123  and name HA  ))
   (( segid "    " and resid 127  and name HD1 ))
 ASSI {  626}
   (( segid "    " and resid 141  and name HA  ))
   (( segid "    " and resid 141  and name HG1 ))
      6.000     4.500     0.000 peak   626 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.284 ppm2      2.262 CV     1
 OR {  626}
   (( segid "    " and resid 141  and name HA  ))
   (( segid "    " and resid 142  and name HB2 ))
 ASSI {  632}
   (( segid "    " and resid 25   and name HA  ))
   (  segid "    " and resid 24   and name HB% )
      6.000     4.500     0.000 peak   632 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.865 ppm2      1.518 CV     1
 OR {  632}
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 28   and name HB  ))
 ASSI {  633}
   (( segid "    " and resid 25   and name HA  ))
   (  segid "    " and resid 28   and name HD1%)
      6.000     4.500     0.000 peak   633 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.870 ppm2      0.806 CV     1
 OR {  633}
   (( segid "    " and resid 25   and name HA  ))
   (  segid "    " and resid 25   and name HD1%)
 OR {  633}
   (( segid "    " and resid 25   and name HA  ))
   (  segid "    " and resid 25   and name HD2%)
 ASSI {  639}
   (( segid "    " and resid 135  and name HA  ))
   (  segid "    " and resid 132  and name HB% )
      6.000     4.500     0.000 peak   639 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.830 ppm2      1.007 CV     1
 OR {  639}
   (( segid "    " and resid 135  and name HA  ))
   (  segid "    " and resid 136  and name HG1%)
 OR {  639}
   (( segid "    " and resid 135  and name HA  ))
   (  segid "    " and resid 136  and name HG2%)
 ASSI {  641}
   (( segid "    " and resid 147  and name HA  ))
   (( segid "    " and resid 151  and name HN  ))
      6.000     4.500     0.000 peak   641 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.671 ppm2      7.553 CV     1
 OR {  641}
   (( segid "    " and resid 147  and name HA  ))
   (( segid "    " and resid 148  and name HN  ))
 ASSI {  659}
   (( segid "    " and resid 31   and name HA  ))
   (  segid "    " and resid 60   and name HD1%)
      6.000     4.500     0.000 peak   659 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.930 ppm2      0.708 CV     1
 OR {  659}
   (( segid "    " and resid 31   and name HA  ))
   (  segid "    " and resid 64   and name HD1%)
 OR {  659}
   (( segid "    " and resid 31   and name HA  ))
   (  segid "    " and resid 64   and name HD2%)
 ASSI {  685}
   (( segid "    " and resid 128  and name HA  ))
   (( segid "    " and resid 129  and name HN  ))
      6.000     4.500     0.000 peak   685 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.817 ppm2      8.643 CV     1
 OR {  685}
   (( segid "    " and resid 125  and name HA  ))
   (( segid "    " and resid 129  and name HN  ))
 ASSI {  687}
   (( segid "    " and resid 125  and name HA  ))
   (( segid "    " and resid 128  and name HB1 ))
      6.000     4.500     0.000 peak   687 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.817 ppm2      1.966 CV     1
 OR {  687}
   (( segid "    " and resid 125  and name HA  ))
   (( segid "    " and resid 118  and name HB2 ))
 ASSI {  689}
   (( segid "    " and resid 125  and name HA  ))
   (( segid "    " and resid 125  and name HB1 ))
      6.000     4.500     0.000 peak   689 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.815 ppm2      0.942 CV     1
 OR {  689}
   (( segid "    " and resid 125  and name HA  ))
   (( segid "    " and resid 143  and name HG  ))
 ASSI {  696}
   (( segid "    " and resid 147  and name HA  ))
   (( segid "    " and resid 119  and name HG1 ))
      6.000     4.500     0.000 peak   696 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.665 ppm2      0.454 CV     1
 OR {  696}
   (( segid "    " and resid 147  and name HA  ))
   (  segid "    " and resid 125  and name HD1%)
 ASSI {  701}
   (( segid "    " and resid 4    and name HA  ))
   (( segid "    " and resid 58   and name HN  ))
      6.000     4.500     0.000 peak   701 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.599 ppm2      9.137 CV     1
 OR {  701}
   (( segid "    " and resid 4    and name HA  ))
   (( segid "    " and resid 34   and name HN  ))
 ASSI {  702}
   (( segid "    " and resid 4    and name HA  ))
   (( segid "    " and resid 4    and name HN  ))
      6.000     4.500     0.000 peak   702 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.603 ppm2      8.601 CV     1
 OR {  702}
   (( segid "    " and resid 4    and name HA  ))
   (( segid "    " and resid 59   and name HN  ))
 ASSI {  704}
   (( segid "    " and resid 4    and name HA  ))
   (( segid "    " and resid 100  and name HB2 ))
      6.000     4.500     0.000 peak   704 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.603 ppm2      2.004 CV     1
 OR {  704}
   (( segid "    " and resid 4    and name HA  ))
   (( segid "    " and resid 128  and name HB1 ))
 ASSI {  705}
   (( segid "    " and resid 4    and name HA  ))
   (( segid "    " and resid 5    and name HB  ))
      6.000     4.500     0.000 peak   705 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.602 ppm2      1.745 CV     1
 OR {  705}
   (( segid "    " and resid 4    and name HA  ))
   (  segid "    " and resid 6    and name HB% )
 ASSI {  708}
   (( segid "    " and resid 4    and name HA  ))
   (  segid "    " and resid 5    and name HG2%)
      6.000     4.500     0.000 peak   708 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.599 ppm2      0.851 CV     1
 OR {  708}
   (( segid "    " and resid 4    and name HA  ))
   (  segid "    " and resid 33   and name HD1%)
 ASSI {  709}
   (( segid "    " and resid 4    and name HA  ))
   (  segid "    " and resid 132  and name HB% )
      6.000     4.500     0.000 peak   709 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.591 ppm2      0.971 CV     1
 OR {  709}
   (( segid "    " and resid 4    and name HA  ))
   (  segid "    " and resid 58   and name HG2%)
 OR {  709}
   (( segid "    " and resid 4    and name HA  ))
   (( segid "    " and resid 98   and name HG11))
 OR {  709}
   (( segid "    " and resid 4    and name HA  ))
   (  segid "    " and resid 58   and name HG1%)
 ASSI {  723}
   (( segid "    " and resid 125  and name HA  ))
   (( segid "    " and resid 128  and name HN  ))
      6.000     4.500     0.000 peak   723 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.809 ppm2      6.497 CV     1
 OR {  723}
   (( segid "    " and resid 125  and name HA  ))
   (( segid "    " and resid 124  and name HN  ))
 ASSI {  724}
   (( segid "    " and resid 125  and name HA  ))
   (( segid "    " and resid 144  and name HG2 ))
      6.000     4.500     0.000 peak   724 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.810 ppm2      1.590 CV     1
 OR {  724}
   (( segid "    " and resid 125  and name HA  ))
   (( segid "    " and resid 131  and name HG11))
 OR {  724}
   (( segid "    " and resid 125  and name HA  ))
   (( segid "    " and resid 146  and name HG11))
 ASSI {  731}
   (( segid "    " and resid 70   and name HA  ))
   (  segid "    " and resid 73   and name HG2%)
      6.000     4.500     0.000 peak   731 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.561 ppm2      1.080 CV     1
 OR {  731}
   (( segid "    " and resid 19   and name HA  ))
   (  segid "    " and resid 22   and name HD2%)
 ASSI {  759}
   (( segid "    " and resid 157  and name HA  ))
   (( segid "    " and resid 158  and name HB1 ))
      6.000     4.500     0.000 peak   759 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.456 ppm2      2.818 CV     1
 OR {  759}
   (( segid "    " and resid 157  and name HA  ))
   (( segid "    " and resid 39   and name HB1 ))
 ASSI {  770}
   (( segid "    " and resid 34   and name HA  ))
   (  segid "    " and resid 35   and name HG2%)
      6.000     4.500     0.000 peak   770 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.500 ppm2      1.233 CV     1
 OR {  770}
   (( segid "    " and resid 34   and name HA  ))
   (  segid "    " and resid 59   and name HB% )
 ASSI {  776}
   (( segid "    " and resid 84   and name HA  ))
   (  segid "    " and resid 83   and name HG1%)
      6.000     4.500     0.000 peak   776 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.296 ppm2      0.949 CV     1
 OR {  776}
   (( segid "    " and resid 84   and name HA  ))
   (  segid "    " and resid 83   and name HG2%)
 OR {  776}
   (( segid "    " and resid 71   and name HA  ))
   (  segid "    " and resid 96   and name HD2%)
 OR {  776}
   (( segid "    " and resid 71   and name HA  ))
   (  segid "    " and resid 69   and name HD1%)
 ASSI {  787}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 48   and name HN  ))
      6.000     4.500     0.000 peak   787 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.238 ppm2      8.506 CV     1
 OR {  787}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 49   and name HN  ))
 ASSI {  802}
   (( segid "    " and resid 80   and name HA  ))
   (( segid "    " and resid 76   and name HB  ))
      6.000     4.500     0.000 peak   802 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.607 ppm2      1.875 CV     1
 OR {  802}
   (( segid "    " and resid 80   and name HA  ))
   (( segid "    " and resid 77   and name HB1 ))
 ASSI {  814}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 21   and name HN  ))
      6.000     4.500     0.000 peak   814 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.183 ppm2      8.582 CV     1
 OR {  814}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 22   and name HN  ))
 ASSI {  818}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 26   and name HN  ))
      6.000     4.500     0.000 peak   818 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.180 ppm2      7.585 CV     1
 OR {  818}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 81   and name HN  ))
 OR {  818}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 78   and name HN  ))
 ASSI {  819}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 27   and name HB1 ))
      6.000     4.500     0.000 peak   819 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.182 ppm2      2.903 CV     1
 OR {  819}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 19   and name HB1 ))
 ASSI {  820}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 27   and name HB2 ))
      6.000     4.500     0.000 peak   820 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.177 ppm2      2.576 CV     1
 OR {  820}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 77   and name HB2 ))
 ASSI {  821}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 76   and name HG11))
      6.000     4.500     0.000 peak   821 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.181 ppm2      2.082 CV     1
 OR {  821}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 76   and name HG11))
 OR {  821}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 76   and name HG12))
 OR {  821}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 76   and name HG12))
 ASSI {  822}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 23   and name HB2 ))
      6.000     4.500     0.000 peak   822 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.181 ppm2      1.939 CV     1
 OR {  822}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 23   and name HB1 ))
 OR {  822}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 23   and name HB1 ))
 OR {  822}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 23   and name HB2 ))
 ASSI {  824}
   (( segid "    " and resid 24   and name HA  ))
   (  segid "    " and resid 24   and name HB% )
      6.000     4.500     0.000 peak   824 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.184 ppm2      1.520 CV     1
 OR {  824}
   (( segid "    " and resid 20   and name HA  ))
   (  segid "    " and resid 20   and name HB% )
 ASSI {  825}
   (( segid "    " and resid 24   and name HA  ))
   (  segid "    " and resid 73   and name HG2%)
      6.000     4.500     0.000 peak   825 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.178 ppm2      1.067 CV     1
 OR {  825}
   (( segid "    " and resid 20   and name HA  ))
   (  segid "    " and resid 22   and name HD2%)
 ASSI {  832}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 80   and name HB2 ))
      6.000     4.500     0.000 peak   832 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.959 ppm2      2.295 CV     1
 OR {  832}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 80   and name HB1 ))
 OR {  832}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 75   and name HB1 ))
 ASSI {  868}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 68   and name HG1 ))
      6.000     4.500     0.000 peak   868 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.233 ppm2      2.416 CV     1
 OR {  868}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 68   and name HG2 ))
 OR {  868}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 30   and name HB1 ))
 ASSI {  869}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 91   and name HG1 ))
      6.000     4.500     0.000 peak   869 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.232 ppm2      1.980 CV     1
 OR {  869}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 30   and name HB2 ))
 OR {  869}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 29   and name HG2 ))
 ASSI {  879}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 69   and name HB2 ))
      6.000     4.500     0.000 peak   879 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.217 ppm2      1.276 CV     1
 OR {  879}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 66   and name HB2 ))
 ASSI {  891}
   (( segid "    " and resid 155  and name HA  ))
   (( segid "    " and resid 156  and name HB1 ))
      6.000     4.500     0.000 peak   891 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.503 ppm2      2.873 CV     1
 OR {  891}
   (( segid "    " and resid 155  and name HA  ))
   (( segid "    " and resid 40   and name HB2 ))
 ASSI {  899}
   (( segid "    " and resid 121  and name HA  ))
   (( segid "    " and resid 121  and name HN  ))
      6.000     4.500     0.000 peak   899 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.282 ppm2      7.040 CV     1
 OR {  899}
   (( segid "    " and resid 121  and name HA  ))
   (( segid "    " and resid 123  and name HN  ))
 ASSI {  901}
   (( segid "    " and resid 121  and name HA  ))
   (( segid "    " and resid 121  and name HD1 ))
      6.000     4.500     0.000 peak   901 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.275 ppm2      2.561 CV     1
 OR {  901}
   (( segid "    " and resid 121  and name HA  ))
   (( segid "    " and resid 120  and name HB1 ))
 ASSI {  906}
   (( segid "    " and resid 86   and name HA  ))
   (( segid "    " and resid 86   and name HN  ))
      6.000     4.500     0.000 peak   906 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.036 ppm2      8.457 CV     1
 OR {  906}
   (( segid "    " and resid 86   and name HA  ))
   (( segid "    " and resid 87   and name HN  ))
 ASSI {  932}
   (( segid "    " and resid 55   and name HA  ))
   (  segid "    " and resid 56   and name HB% )
      6.000     4.500     0.000 peak   932 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.126 ppm2      1.438 CV     1
 OR {  932}
   (( segid "    " and resid 55   and name HA  ))
   (( segid "    " and resid 7    and name HB  ))
 ASSI {  937}
   (( segid "    " and resid 107  and name HA  ))
   (( segid "    " and resid 106  and name HA  ))
      6.000     4.500     0.000 peak   937 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.506 ppm2      4.296 CV     1
 OR {  937}
   (( segid "    " and resid 107  and name HA  ))
   (( segid "    " and resid 113  and name HA  ))
 ASSI {  960}
   (( segid "    " and resid 97   and name HA  ))
   (( segid "    " and resid 96   and name HB1 ))
      6.000     4.500     0.000 peak   960 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.523 ppm2      2.072 CV     1
 OR {  960}
   (( segid "    " and resid 97   and name HA  ))
   (( segid "    " and resid 98   and name HB  ))
 ASSI {  963}
   (( segid "    " and resid 103  and name HA  ))
   (  segid "    " and resid 100  and name HD2%)
      6.000     4.500     0.000 peak   963 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.180 ppm2      1.041 CV     1
 OR {  963}
   (( segid "    " and resid 103  and name HA  ))
   (  segid "    " and resid 105  and name HG2%)
 ASSI {  969}
   (( segid "    " and resid 103  and name HA  ))
   (( segid "    " and resid 138  and name HG1 ))
      6.000     4.500     0.000 peak   969 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.161 ppm2      1.999 CV     1
 OR {  969}
   (( segid "    " and resid 103  and name HA  ))
   (( segid "    " and resid 100  and name HB2 ))
 OR {  969}
   (( segid "    " and resid 103  and name HA  ))
   (( segid "    " and resid 138  and name HG2 ))
 ASSI {  973}
   (( segid "    " and resid 57   and name HA  ))
   (( segid "    " and resid 127  and name HB2 ))
      6.000     4.500     0.000 peak   973 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.664 ppm2      1.954 CV     1
 OR {  973}
   (( segid "    " and resid 57   and name HA  ))
   (( segid "    " and resid 58   and name HB  ))
 ASSI {  978}
   (( segid "    " and resid 57   and name HA  ))
   (  segid "    " and resid 6    and name HB% )
      6.000     4.500     0.000 peak   978 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.658 ppm2      1.749 CV     1
 OR {  978}
   (( segid "    " and resid 57   and name HA  ))
   (( segid "    " and resid 5    and name HB  ))
 ASSI {  994}
   (( segid "    " and resid 43   and name HD2 ))
   (  segid "    " and resid 45   and name HD1%)
      6.000     4.500     0.000 peak   994 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.832 ppm2      0.909 CV     1
 OR {  994}
   (( segid "    " and resid 43   and name HD1 ))
   (  segid "    " and resid 45   and name HD1%)
 OR {  994}
   (( segid "    " and resid 43   and name HD1 ))
   (( segid "    " and resid 155  and name HG  ))
 OR {  994}
   (( segid "    " and resid 43   and name HD2 ))
   (( segid "    " and resid 155  and name HG  ))
 ASSI { 1001}
   (( segid "    " and resid 138  and name HD2 ))
   (  segid "    " and resid 100  and name HD2%)
      6.000     4.500     0.000 peak  1001 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.027 ppm2      1.042 CV     1
 OR { 1001}
   (( segid "    " and resid 138  and name HD1 ))
   (  segid "    " and resid 100  and name HD2%)
 OR { 1001}
   (( segid "    " and resid 138  and name HD2 ))
   (  segid "    " and resid 136  and name HG1%)
 OR { 1001}
   (( segid "    " and resid 138  and name HD2 ))
   (  segid "    " and resid 136  and name HG2%)
 ASSI { 1002}
   (( segid "    " and resid 138  and name HD1 ))
   (( segid "    " and resid 138  and name HB1 ))
      6.000     4.500     0.000 peak  1002 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.011 ppm2      2.403 CV     1
 OR { 1002}
   (( segid "    " and resid 14   and name HD2 ))
   (( segid "    " and resid 14   and name HB2 ))
 OR { 1002}
   (( segid "    " and resid 14   and name HD1 ))
   (( segid "    " and resid 14   and name HB2 ))
 OR { 1002}
   (( segid "    " and resid 138  and name HD2 ))
   (( segid "    " and resid 138  and name HB1 ))
 ASSI { 1003}
   (( segid "    " and resid 138  and name HD2 ))
   (( segid "    " and resid 137  and name HA  ))
      6.000     4.500     0.000 peak  1003 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.003 ppm2      4.292 CV     1
 OR { 1003}
   (( segid "    " and resid 14   and name HD1 ))
   (( segid "    " and resid 14   and name HA  ))
 OR { 1003}
   (( segid "    " and resid 138  and name HD1 ))
   (( segid "    " and resid 137  and name HA  ))
 OR { 1003}
   (( segid "    " and resid 14   and name HD2 ))
   (( segid "    " and resid 14   and name HA  ))
 ASSI { 1031}
   (( segid "    " and resid 138  and name HD1 ))
   (( segid "    " and resid 114  and name HG1 ))
      6.000     4.500     0.000 peak  1031 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.038 ppm2      2.451 CV     1
 OR { 1031}
   (( segid "    " and resid 138  and name HD2 ))
   (( segid "    " and resid 114  and name HG1 ))
 OR { 1031}
   (( segid "    " and resid 138  and name HD2 ))
   (( segid "    " and resid 145  and name HG1 ))
 ASSI { 1036}
   (( segid "    " and resid 44   and name HD1 ))
   (( segid "    " and resid 43   and name HG1 ))
      6.000     4.500     0.000 peak  1036 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.951 ppm2      2.130 CV     1
 OR { 1036}
   (( segid "    " and resid 44   and name HD1 ))
   (( segid "    " and resid 50   and name HB2 ))
 ASSI { 1074}
   (( segid "    " and resid 133  and name HD1 ))
   (( segid "    " and resid 132  and name HN  ))
      6.000     4.500     0.000 peak  1074 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.102 ppm2      8.305 CV     1
 OR { 1074}
   (( segid "    " and resid 133  and name HD1 ))
   (( segid "    " and resid 134  and name HN  ))
 ASSI { 1087}
   (( segid "    " and resid 133  and name HD2 ))
   (( segid "    " and resid 135  and name HN  ))
      6.000     4.500     0.000 peak  1087 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.412 ppm2      7.232 CV     1
 OR { 1087}
   (( segid "    " and resid 133  and name HD2 ))
   (  segid "    " and resid 129  and name HD% )
 ASSI { 1093}
   (( segid "    " and resid 133  and name HD2 ))
   (( segid "    " and resid 134  and name HN  ))
      6.000     4.500     0.000 peak  1093 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.401 ppm2      8.300 CV     1
 OR { 1093}
   (( segid "    " and resid 133  and name HD2 ))
   (( segid "    " and resid 132  and name HN  ))
 ASSI { 1124}
   (( segid "    " and resid 122  and name HA1 ))
   (( segid "    " and resid 123  and name HN  ))
      6.000     4.500     0.000 peak  1124 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.802 ppm2      7.064 CV     1
 OR { 1124}
   (( segid "    " and resid 122  and name HA1 ))
   (  segid "    " and resid 152  and name HD% )
 ASSI { 1126}
   (( segid "    " and resid 122  and name HA1 ))
   (( segid "    " and resid 155  and name HG  ))
      6.000     4.500     0.000 peak  1126 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.806 ppm2      0.936 CV     1
 OR { 1126}
   (( segid "    " and resid 122  and name HA1 ))
   (( segid "    " and resid 125  and name HB1 ))
 ASSI { 1136}
   (( segid "    " and resid 60   and name HB2 ))
   (  segid "    " and resid 25   and name HD2%)
      6.000     4.500     0.000 peak  1136 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.002 ppm2      0.801 CV     1
 OR { 1136}
   (( segid "    " and resid 60   and name HB2 ))
   (  segid "    " and resid 25   and name HD1%)
 OR { 1136}
   (( segid "    " and resid 60   and name HB2 ))
   (  segid "    " and resid 28   and name HD1%)
 ASSI { 1144}
   (( segid "    " and resid 81   and name HA1 ))
   (( segid "    " and resid 94   and name HB2 ))
      6.000     4.500     0.000 peak  1144 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.124 ppm2      1.397 CV     1
 OR { 1144}
   (( segid "    " and resid 81   and name HA1 ))
   (  segid "    " and resid 86   and name HB% )
 OR { 1144}
   (( segid "    " and resid 81   and name HA2 ))
   (  segid "    " and resid 86   and name HB% )
 ASSI { 1176}
   (( segid "    " and resid 8    and name HA2 ))
   (( segid "    " and resid 56   and name HN  ))
      6.000     4.500     0.000 peak  1176 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.748 ppm2      9.192 CV     1
 OR { 1176}
   (( segid "    " and resid 8    and name HA2 ))
   (( segid "    " and resid 95   and name HN  ))
 ASSI { 1209}
   (( segid "    " and resid 121  and name HD1 ))
   (( segid "    " and resid 121  and name HN  ))
      6.000     4.500     0.000 peak  1209 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.575 ppm2      7.039 CV     1
 OR { 1209}
   (( segid "    " and resid 121  and name HD1 ))
   (( segid "    " and resid 123  and name HN  ))
 ASSI { 1236}
   (( segid "    " and resid 11   and name HB2 ))
   (( segid "    " and resid 18   and name HB  ))
      6.000     4.500     0.000 peak  1236 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.266 ppm2      1.576 CV     1
 OR { 1236}
   (( segid "    " and resid 11   and name HB2 ))
   (( segid "    " and resid 15   and name HB2 ))
 OR { 1236}
   (( segid "    " and resid 11   and name HB1 ))
   (( segid "    " and resid 15   and name HB2 ))
 OR { 1236}
   (( segid "    " and resid 11   and name HB1 ))
   (( segid "    " and resid 18   and name HB  ))
 ASSI { 1257}
   (( segid "    " and resid 75   and name HD1 ))
   (( segid "    " and resid 72   and name HD2 ))
      6.000     4.500     0.000 peak  1257 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.158 ppm2      7.184 CV     1
 OR { 1257}
   (( segid "    " and resid 75   and name HD1 ))
   (( segid "    " and resid 71   and name HD21))
 ASSI { 1298}
   (( segid "    " and resid 34   and name HB2 ))
   (  segid "    " and resid 59   and name HB% )
      6.000     4.500     0.000 peak  1298 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.521 ppm2      1.243 CV     1
 OR { 1298}
   (( segid "    " and resid 34   and name HB2 ))
   (  segid "    " and resid 35   and name HG2%)
 ASSI { 1321}
   (( segid "    " and resid 64   and name HB2 ))
   (( segid "    " and resid 68   and name HB1 ))
      6.000     4.500     0.000 peak  1321 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.473 ppm2      2.180 CV     1
 OR { 1321}
   (( segid "    " and resid 64   and name HB2 ))
   (( segid "    " and resid 69   and name HB1 ))
 ASSI { 1332}
   (( segid "    " and resid 96   and name HB2 ))
   (( segid "    " and resid 70   and name HB2 ))
      6.000     4.500     0.000 peak  1332 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.962 ppm2      1.014 CV     1
 OR { 1332}
   (( segid "    " and resid 96   and name HB2 ))
   (( segid "    " and resid 69   and name HG  ))
 ASSI { 1344}
   (( segid "    " and resid 135  and name HB2 ))
   (( segid "    " and resid 136  and name HN  ))
      6.000     4.500     0.000 peak  1344 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.724 ppm2      8.385 CV     1
 OR { 1344}
   (( segid "    " and resid 64   and name HB1 ))
   (( segid "    " and resid 65   and name HN  ))
 ASSI { 1347}
   (( segid "    " and resid 64   and name HB1 ))
   (( segid "    " and resid 68   and name HB1 ))
      6.000     4.500     0.000 peak  1347 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.724 ppm2      2.169 CV     1
 OR { 1347}
   (( segid "    " and resid 64   and name HB1 ))
   (( segid "    " and resid 69   and name HB1 ))
 ASSI { 1381}
   (( segid "    " and resid 150  and name HD2 ))
   (  segid "    " and resid 146  and name HG2%)
      6.000     4.500     0.000 peak  1381 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.946 ppm2      0.745 CV     1
 OR { 1381}
   (( segid "    " and resid 157  and name HE1 ))
   (( segid "    " and resid 154  and name HG2 ))
 OR { 1381}
   (( segid "    " and resid 157  and name HE2 ))
   (( segid "    " and resid 154  and name HG2 ))
 ASSI { 1382}
   (( segid "    " and resid 27   and name HB1 ))
   (( segid "    " and resid 28   and name HB  ))
      6.000     4.500     0.000 peak  1382 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.915 ppm2      1.552 CV     1
 OR { 1382}
   (( segid "    " and resid 27   and name HB1 ))
   (( segid "    " and resid 33   and name HG12))
 OR { 1382}
   (( segid "    " and resid 27   and name HB1 ))
   (( segid "    " and resid 33   and name HG11))
 ASSI { 1386}
   (( segid "    " and resid 25   and name HB1 ))
   (( segid "    " and resid 25   and name HA  ))
      6.000     4.500     0.000 peak  1386 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.127 ppm2      3.892 CV     1
 OR { 1386}
   (( segid "    " and resid 25   and name HB1 ))
   (( segid "    " and resid 26   and name HA2 ))
 OR { 1386}
   (( segid "    " and resid 25   and name HB1 ))
   (( segid "    " and resid 26   and name HA1 ))
 ASSI { 1390}
   (( segid "    " and resid 128  and name HB1 ))
   (( segid "    " and resid 125  and name HA  ))
      6.000     4.500     0.000 peak  1390 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.978 ppm2      3.823 CV     1
 OR { 1390}
   (( segid "    " and resid 128  and name HB1 ))
   (( segid "    " and resid 128  and name HA  ))
 ASSI { 1396}
   (( segid "    " and resid 143  and name HB1 ))
   (( segid "    " and resid 99   and name HG1 ))
      6.000     4.500     0.000 peak  1396 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.339 ppm2      2.162 CV     1
 OR { 1396}
   (( segid "    " and resid 143  and name HB1 ))
   (( segid "    " and resid 118  and name HG2 ))
 ASSI { 1399}
   (( segid "    " and resid 135  and name HB1 ))
   (( segid "    " and resid 143  and name HG  ))
      6.000     4.500     0.000 peak  1399 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.318 ppm2      0.955 CV     1
 OR { 1399}
   (( segid "    " and resid 135  and name HB1 ))
   (( segid "    " and resid 125  and name HB1 ))
 ASSI { 1411}
   (( segid "    " and resid 25   and name HB2 ))
   (( segid "    " and resid 25   and name HG  ))
      6.000     4.500     0.000 peak  1411 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.212 ppm2      1.947 CV     1
 OR { 1411}
   (( segid "    " and resid 128  and name HB2 ))
   (( segid "    " and resid 127  and name HB2 ))
 OR { 1411}
   (( segid "    " and resid 25   and name HB2 ))
   (( segid "    " and resid 58   and name HB  ))
 ASSI { 1433}
   (( segid "    " and resid 128  and name HB1 ))
   (( segid "    " and resid 143  and name HB1 ))
      6.000     4.500     0.000 peak  1433 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.996 ppm2      1.325 CV     1
 OR { 1433}
   (( segid "    " and resid 128  and name HB1 ))
   (  segid "    " and resid 57   and name HB% )
 ASSI { 1445}
   (( segid "    " and resid 5    and name HB  ))
   (  segid "    " and resid 58   and name HG2%)
      6.000     4.500     0.000 peak  1445 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.733 ppm2      0.962 CV     1
 OR { 1445}
   (( segid "    " and resid 5    and name HB  ))
   (  segid "    " and resid 58   and name HG1%)
 OR { 1445}
   (( segid "    " and resid 5    and name HB  ))
   (  segid "    " and resid 69   and name HD2%)
 ASSI { 1446}
   (( segid "    " and resid 5    and name HB  ))
   (  segid "    " and resid 5    and name HG2%)
      6.000     4.500     0.000 peak  1446 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.733 ppm2      0.827 CV     1
 OR { 1446}
   (( segid "    " and resid 5    and name HB  ))
   (  segid "    " and resid 25   and name HD2%)
 ASSI { 1447}
   (( segid "    " and resid 5    and name HB  ))
   (( segid "    " and resid 25   and name HG  ))
      6.000     4.500     0.000 peak  1447 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.721 ppm2      1.908 CV     1
 OR { 1447}
   (( segid "    " and resid 5    and name HB  ))
   (( segid "    " and resid 98   and name HG12))
 ASSI { 1455}
   (( segid "    " and resid 106  and name HB  ))
   (  segid "    " and resid 113  and name HG1%)
      6.000     4.500     0.000 peak  1455 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.432 ppm2      0.881 CV     1
 OR { 1455}
   (( segid "    " and resid 106  and name HB  ))
   (( segid "    " and resid 111  and name HB2 ))
 OR { 1455}
   (( segid "    " and resid 22   and name HB1 ))
   (  segid "    " and resid 76   and name HG2%)
 ASSI { 1456}
   (( segid "    " and resid 106  and name HB  ))
   (  segid "    " and resid 111  and name HD1%)
      6.000     4.500     0.000 peak  1456 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.436 ppm2      0.289 CV     1
 OR { 1456}
   (( segid "    " and resid 22   and name HB1 ))
   (  segid "    " and resid 18   and name HG1%)
 ASSI { 1468}
   (( segid "    " and resid 27   and name HB2 ))
   (  segid "    " and resid 24   and name HB% )
      6.000     4.500     0.000 peak  1468 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.565 ppm2      1.525 CV     1
 OR { 1468}
   (( segid "    " and resid 27   and name HB2 ))
   (( segid "    " and resid 28   and name HB  ))
 ASSI { 1479}
   (( segid "    " and resid 70   and name HB1 ))
   (( segid "    " and resid 69   and name HB2 ))
      6.000     4.500     0.000 peak  1479 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.862 ppm2      1.326 CV     1
 OR { 1479}
   (( segid "    " and resid 70   and name HB1 ))
   (( segid "    " and resid 111  and name HB1 ))
 ASSI { 1480}
   (( segid "    " and resid 70   and name HB1 ))
   (( segid "    " and resid 66   and name HB2 ))
      6.000     4.500     0.000 peak  1480 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.853 ppm2      1.286 CV     1
 OR { 1480}
   (( segid "    " and resid 70   and name HB1 ))
   (( segid "    " and resid 69   and name HB2 ))
 ASSI { 1484}
   (( segid "    " and resid 5    and name HB  ))
   (( segid "    " and resid 58   and name HB  ))
      6.000     4.500     0.000 peak  1484 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.744 ppm2      1.951 CV     1
 OR { 1484}
   (( segid "    " and resid 5    and name HB  ))
   (( segid "    " and resid 25   and name HG  ))
 ASSI { 1485}
   (( segid "    " and resid 5    and name HB  ))
   (  segid "    " and resid 60   and name HD2%)
      6.000     4.500     0.000 peak  1485 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.733 ppm2      0.679 CV     1
 OR { 1485}
   (( segid "    " and resid 5    and name HB  ))
   (  segid "    " and resid 7    and name HD1%)
 ASSI { 1494}
   (( segid "    " and resid 147  and name HB2 ))
   (( segid "    " and resid 151  and name HN  ))
      6.000     4.500     0.000 peak  1494 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.081 ppm2      7.562 CV     1
 OR { 1494}
   (( segid "    " and resid 147  and name HB2 ))
   (( segid "    " and resid 148  and name HN  ))
 ASSI { 1501}
   (( segid "    " and resid 70   and name HB2 ))
   (  segid "    " and resid 69   and name HD2%)
      6.000     4.500     0.000 peak  1501 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.993 ppm2      0.951 CV     1
 OR { 1501}
   (( segid "    " and resid 70   and name HB2 ))
   (  segid "    " and resid 69   and name HD1%)
 OR { 1501}
   (( segid "    " and resid 70   and name HB2 ))
   (( segid "    " and resid 96   and name HB2 ))
 ASSI { 1502}
   (( segid "    " and resid 70   and name HB2 ))
   (( segid "    " and resid 66   and name HG1 ))
      6.000     4.500     0.000 peak  1502 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.993 ppm2      0.787 CV     1
 OR { 1502}
   (( segid "    " and resid 70   and name HB2 ))
   (  segid "    " and resid 98   and name HG2%)
 OR { 1502}
   (( segid "    " and resid 70   and name HB2 ))
   (  segid "    " and resid 28   and name HD1%)
 ASSI { 1504}
   (( segid "    " and resid 147  and name HB1 ))
   (( segid "    " and resid 148  and name HN  ))
      6.000     4.500     0.000 peak  1504 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.673 ppm2      7.562 CV     1
 OR { 1504}
   (( segid "    " and resid 147  and name HB1 ))
   (( segid "    " and resid 151  and name HN  ))
 ASSI { 1519}
   (( segid "    " and resid 97   and name HB1 ))
   (  segid "    " and resid 6    and name HB% )
      6.000     4.500     0.000 peak  1519 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.536 ppm2      1.749 CV     1
 OR { 1519}
   (( segid "    " and resid 97   and name HB1 ))
   (( segid "    " and resid 5    and name HB  ))
 ASSI { 1530}
   (( segid "    " and resid 97   and name HB2 ))
   (  segid "    " and resid 6    and name HB% )
      6.000     4.500     0.000 peak  1530 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.332 ppm2      1.747 CV     1
 OR { 1530}
   (( segid "    " and resid 97   and name HB2 ))
   (( segid "    " and resid 5    and name HB  ))
 ASSI { 1531}
   (( segid "    " and resid 97   and name HB2 ))
   (  segid "    " and resid 5    and name HG2%)
      6.000     4.500     0.000 peak  1531 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.330 ppm2      0.814 CV     1
 OR { 1531}
   (( segid "    " and resid 97   and name HB2 ))
   (  segid "    " and resid 98   and name HG2%)
 ASSI { 1545}
   (( segid "    " and resid 70   and name HB2 ))
   (( segid "    " and resid 71   and name HN  ))
      6.000     4.500     0.000 peak  1545 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.006 ppm2      7.703 CV     1
 OR { 1545}
   (( segid "    " and resid 70   and name HB2 ))
   (( segid "    " and resid 72   and name HN  ))
 ASSI { 1570}
   (( segid "    " and resid 15   and name HB1 ))
   (( segid "    " and resid 15   and name HG  ))
      6.000     4.500     0.000 peak  1570 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.442 ppm2      0.943 CV     1
 OR { 1570}
   (( segid "    " and resid 7    and name HB  ))
   (  segid "    " and resid 58   and name HG2%)
 OR { 1570}
   (( segid "    " and resid 7    and name HB  ))
   (  segid "    " and resid 58   and name HG1%)
 ASSI { 1574}
   (( segid "    " and resid 4    and name HB2 ))
   (( segid "    " and resid 98   and name HB  ))
      6.000     4.500     0.000 peak  1574 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.723 ppm2      2.051 CV     1
 OR { 1574}
   (( segid "    " and resid 4    and name HB1 ))
   (( segid "    " and resid 98   and name HB  ))
 OR { 1574}
   (( segid "    " and resid 4    and name HB1 ))
   (( segid "    " and resid 142  and name HB1 ))
 ASSI { 1584}
   (( segid "    " and resid 7    and name HB  ))
   (  segid "    " and resid 25   and name HD2%)
      6.000     4.500     0.000 peak  1584 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.446 ppm2      0.808 CV     1
 OR { 1584}
   (( segid "    " and resid 7    and name HB  ))
   (  segid "    " and resid 5    and name HG2%)
 OR { 1584}
   (( segid "    " and resid 7    and name HB  ))
   (  segid "    " and resid 25   and name HD1%)
 OR { 1584}
   (( segid "    " and resid 7    and name HB  ))
   (( segid "    " and resid 94   and name HG  ))
 ASSI { 1602}
   (( segid "    " and resid 4    and name HB1 ))
   (( segid "    " and resid 5    and name HN  ))
      6.000     4.500     0.000 peak  1602 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.738 ppm2      9.552 CV     1
 OR { 1602}
   (( segid "    " and resid 4    and name HB2 ))
   (( segid "    " and resid 5    and name HN  ))
 OR { 1602}
   (( segid "    " and resid 4    and name HB2 ))
   (( segid "    " and resid 99   and name HN  ))
 ASSI { 1624}
   (( segid "    " and resid 69   and name HB1 ))
   (( segid "    " and resid 66   and name HG1 ))
      6.000     4.500     0.000 peak  1624 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.189 ppm2      0.744 CV     1
 OR { 1624}
   (( segid "    " and resid 69   and name HB1 ))
   (  segid "    " and resid 60   and name HD1%)
 ASSI { 1630}
   (( segid "    " and resid 69   and name HB2 ))
   (( segid "    " and resid 64   and name HG  ))
      6.000     4.500     0.000 peak  1630 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.290 ppm2      0.747 CV     1
 OR { 1630}
   (( segid "    " and resid 69   and name HB2 ))
   (  segid "    " and resid 60   and name HD1%)
 OR { 1630}
   (( segid "    " and resid 69   and name HB2 ))
   (( segid "    " and resid 66   and name HG1 ))
 ASSI { 1637}
   (( segid "    " and resid 156  and name HB2 ))
   (( segid "    " and resid 41   and name HB1 ))
      6.000     4.500     0.000 peak  1637 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.748 ppm2      1.709 CV     1
 OR { 1637}
   (( segid "    " and resid 156  and name HB2 ))
   (( segid "    " and resid 155  and name HB1 ))
 OR { 1637}
   (( segid "    " and resid 156  and name HB2 ))
   (( segid "    " and resid 41   and name HB2 ))
 ASSI { 1650}
   (( segid "    " and resid 107  and name HB2 ))
   (  segid "    " and resid 112  and name HG2%)
      6.000     4.500     0.000 peak  1650 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.665 ppm2      1.422 CV     1
 OR { 1650}
   (( segid "    " and resid 107  and name HB2 ))
   (( segid "    " and resid 106  and name HB  ))
 ASSI { 1652}
   (( segid "    " and resid 107  and name HB2 ))
   (  segid "    " and resid 106  and name HG2%)
      6.000     4.500     0.000 peak  1652 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.674 ppm2      0.920 CV     1
 OR { 1652}
   (( segid "    " and resid 53   and name HB2 ))
   (( segid "    " and resid 54   and name HB2 ))
 ASSI { 1677}
   (( segid "    " and resid 129  and name HB2 ))
   (( segid "    " and resid 125  and name HB1 ))
      6.000     4.500     0.000 peak  1677 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.153 ppm2      0.942 CV     1
 OR { 1677}
   (( segid "    " and resid 129  and name HB2 ))
   (( segid "    " and resid 143  and name HG  ))
 ASSI { 1682}
   (( segid "    " and resid 129  and name HB1 ))
   (( segid "    " and resid 143  and name HG  ))
      6.000     4.500     0.000 peak  1682 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.892 ppm2      0.945 CV     1
 OR { 1682}
   (( segid "    " and resid 129  and name HB1 ))
   (( segid "    " and resid 125  and name HB1 ))
 ASSI { 1712}
   (( segid "    " and resid 103  and name HB1 ))
   (( segid "    " and resid 138  and name HG1 ))
      6.000     4.500     0.000 peak  1712 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.986 ppm2      1.982 CV     1
 OR { 1712}
   (( segid "    " and resid 103  and name HB1 ))
   (( segid "    " and resid 100  and name HB2 ))
 OR { 1712}
   (( segid "    " and resid 103  and name HB1 ))
   (( segid "    " and resid 138  and name HG2 ))
 ASSI { 1725}
   (( segid "    " and resid 131  and name HB  ))
   (  segid "    " and resid 35   and name HG2%)
      6.000     4.500     0.000 peak  1725 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.133 ppm2      1.235 CV     1
 OR { 1725}
   (( segid "    " and resid 131  and name HB  ))
   (  segid "    " and resid 59   and name HB% )
 ASSI { 1739}
   (( segid "    " and resid 33   and name HB  ))
   (( segid "    " and resid 26   and name HA2 ))
      6.000     4.500     0.000 peak  1739 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.767 ppm2      3.877 CV     1
 OR { 1739}
   (( segid "    " and resid 33   and name HB  ))
   (( segid "    " and resid 33   and name HA  ))
 ASSI { 1773}
   (( segid "    " and resid 19   and name HB1 ))
   (( segid "    " and resid 22   and name HB1 ))
      6.000     4.500     0.000 peak  1773 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.897 ppm2      1.445 CV     1
 OR { 1773}
   (( segid "    " and resid 19   and name HB1 ))
   (( segid "    " and resid 23   and name HG1 ))
 ASSI { 1786}
   (( segid "    " and resid 19   and name HB2 ))
   (( segid "    " and resid 80   and name HB1 ))
      6.000     4.500     0.000 peak  1786 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.669 ppm2      2.297 CV     1
 OR { 1786}
   (( segid "    " and resid 19   and name HB2 ))
   (( segid "    " and resid 17   and name HG2 ))
 OR { 1786}
   (( segid "    " and resid 19   and name HB2 ))
   (( segid "    " and resid 80   and name HB2 ))
 OR { 1786}
   (( segid "    " and resid 19   and name HB2 ))
   (( segid "    " and resid 17   and name HG1 ))
 ASSI { 1793}
   (( segid "    " and resid 67   and name HG1 ))
   (( segid "    " and resid 66   and name HG1 ))
      6.000     4.500     0.000 peak  1793 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.964 ppm2      0.779 CV     1
 OR { 1793}
   (( segid "    " and resid 67   and name HG1 ))
   (  segid "    " and resid 98   and name HG2%)
 ASSI { 1833}
   (( segid "    " and resid 113  and name HB  ))
   (  segid "    " and resid 105  and name HG1%)
      6.000     4.500     0.000 peak  1833 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.864 ppm2      1.019 CV     1
 OR { 1833}
   (( segid "    " and resid 113  and name HB  ))
   (  segid "    " and resid 105  and name HG2%)
 OR { 1833}
   (( segid "    " and resid 113  and name HB  ))
   (( segid "    " and resid 106  and name HG12))
 ASSI { 1834}
   (( segid "    " and resid 113  and name HB  ))
   (  segid "    " and resid 113  and name HG1%)
      6.000     4.500     0.000 peak  1834 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.864 ppm2      0.867 CV     1
 OR { 1834}
   (( segid "    " and resid 76   and name HB  ))
   (  segid "    " and resid 76   and name HG2%)
 ASSI { 1840}
   (( segid "    " and resid 123  and name HB2 ))
   (( segid "    " and resid 126  and name HB2 ))
      6.000     4.500     0.000 peak  1840 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.171 ppm2      3.019 CV     1
 OR { 1840}
   (( segid "    " and resid 123  and name HB2 ))
   (( segid "    " and resid 154  and name HA  ))
 ASSI { 1861}
   (( segid "    " and resid 77   and name HG1 ))
   (( segid "    " and resid 77   and name HB1 ))
      6.000     4.500     0.000 peak  1861 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.045 ppm2      1.862 CV     1
 OR { 1861}
   (( segid "    " and resid 141  and name HG2 ))
   (( segid "    " and resid 141  and name HB2 ))
 ASSI { 1862}
   (( segid "    " and resid 141  and name HG2 ))
   (( segid "    " and resid 146  and name HG11))
      6.000     4.500     0.000 peak  1862 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.042 ppm2      1.594 CV     1
 OR { 1862}
   (( segid "    " and resid 77   and name HG1 ))
   (( segid "    " and resid 96   and name HG  ))
 ASSI { 1868}
   (( segid "    " and resid 113  and name HB  ))
   (( segid "    " and resid 106  and name HB  ))
      6.000     4.500     0.000 peak  1868 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.853 ppm2      1.412 CV     1
 OR { 1868}
   (( segid "    " and resid 113  and name HB  ))
   (  segid "    " and resid 112  and name HG2%)
 ASSI { 1873}
   (( segid "    " and resid 71   and name HB2 ))
   (( segid "    " and resid 71   and name HN  ))
      6.000     4.500     0.000 peak  1873 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.043 ppm2      7.691 CV     1
 OR { 1873}
   (( segid "    " and resid 71   and name HB2 ))
   (( segid "    " and resid 72   and name HN  ))
 ASSI { 1875}
   (( segid "    " and resid 71   and name HB2 ))
   (( segid "    " and resid 68   and name HA  ))
      6.000     4.500     0.000 peak  1875 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.045 ppm2      4.301 CV     1
 OR { 1875}
   (( segid "    " and resid 71   and name HB2 ))
   (( segid "    " and resid 71   and name HA  ))
 ASSI { 1899}
   (( segid "    " and resid 77   and name HG2 ))
   (( segid "    " and resid 80   and name HB1 ))
      6.000     4.500     0.000 peak  1899 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.824 ppm2      2.317 CV     1
 OR { 1899}
   (( segid "    " and resid 77   and name HG2 ))
   (( segid "    " and resid 17   and name HG1 ))
 OR { 1899}
   (( segid "    " and resid 77   and name HG2 ))
   (( segid "    " and resid 80   and name HB2 ))
 ASSI { 1901}
   (( segid "    " and resid 104  and name HG2 ))
   (( segid "    " and resid 106  and name HG11))
      6.000     4.500     0.000 peak  1901 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.589 ppm2      1.025 CV     1
 OR { 1901}
   (( segid "    " and resid 104  and name HG2 ))
   (( segid "    " and resid 106  and name HG12))
 OR { 1901}
   (( segid "    " and resid 104  and name HG2 ))
   (  segid "    " and resid 105  and name HG2%)
 OR { 1901}
   (( segid "    " and resid 104  and name HG2 ))
   (  segid "    " and resid 105  and name HG1%)
 ASSI { 1917}
   (( segid "    " and resid 104  and name HG1 ))
   (  segid "    " and resid 105  and name HG2%)
      6.000     4.500     0.000 peak  1917 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.500 ppm2      1.041 CV     1
 OR { 1917}
   (( segid "    " and resid 104  and name HG1 ))
   (( segid "    " and resid 106  and name HG11))
 OR { 1917}
   (( segid "    " and resid 104  and name HG1 ))
   (( segid "    " and resid 106  and name HG12))
 OR { 1917}
   (( segid "    " and resid 104  and name HG1 ))
   (  segid "    " and resid 105  and name HG1%)
 ASSI { 1920}
   (( segid "    " and resid 16   and name HG1 ))
   (( segid "    " and resid 17   and name HN  ))
      6.000     4.500     0.000 peak  1920 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.319 ppm2      8.188 CV     1
 OR { 1920}
   (( segid "    " and resid 16   and name HG1 ))
   (( segid "    " and resid 15   and name HN  ))
 ASSI { 1951}
   (( segid "    " and resid 58   and name HB  ))
   (( segid "    " and resid 58   and name HN  ))
      6.000     4.500     0.000 peak  1951 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.952 ppm2      9.147 CV     1
 OR { 1951}
   (( segid "    " and resid 58   and name HB  ))
   (( segid "    " and resid 34   and name HN  ))
 ASSI { 1952}
   (( segid "    " and resid 58   and name HB  ))
   (( segid "    " and resid 33   and name HB  ))
      6.000     4.500     0.000 peak  1952 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.954 ppm2      1.765 CV     1
 OR { 1952}
   (( segid "    " and resid 58   and name HB  ))
   (  segid "    " and resid 6    and name HB% )
 ASSI { 1953}
   (( segid "    " and resid 58   and name HB  ))
   (( segid "    " and resid 7    and name HB  ))
      6.000     4.500     0.000 peak  1953 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.956 ppm2      1.485 CV     1
 OR { 1953}
   (( segid "    " and resid 58   and name HB  ))
   (  segid "    " and resid 56   and name HB% )
 ASSI { 1954}
   (( segid "    " and resid 58   and name HB  ))
   (( segid "    " and resid 5    and name HG11))
      6.000     4.500     0.000 peak  1954 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.953 ppm2      1.090 CV     1
 OR { 1954}
   (( segid "    " and resid 58   and name HB  ))
   (  segid "    " and resid 36   and name HG1%)
 OR { 1954}
   (( segid "    " and resid 58   and name HB  ))
   (  segid "    " and resid 22   and name HD2%)
 ASSI { 1956}
   (( segid "    " and resid 58   and name HB  ))
   (  segid "    " and resid 7    and name HD1%)
      6.000     4.500     0.000 peak  1956 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.958 ppm2      0.678 CV     1
 OR { 1956}
   (( segid "    " and resid 58   and name HB  ))
   (  segid "    " and resid 60   and name HD2%)
 ASSI { 1960}
   (( segid "    " and resid 68   and name HG2 ))
   (( segid "    " and resid 71   and name HN  ))
      6.000     4.500     0.000 peak  1960 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.395 ppm2      7.704 CV     1
 OR { 1960}
   (( segid "    " and resid 68   and name HG1 ))
   (( segid "    " and resid 71   and name HN  ))
 OR { 1960}
   (( segid "    " and resid 68   and name HG2 ))
   (( segid "    " and resid 72   and name HN  ))
 ASSI { 1961}
   (( segid "    " and resid 48   and name HG1 ))
   (( segid "    " and resid 47   and name HB1 ))
      6.000     4.500     0.000 peak  1961 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.394 ppm2      1.911 CV     1
 OR { 1961}
   (( segid "    " and resid 48   and name HG2 ))
   (( segid "    " and resid 44   and name HG2 ))
 OR { 1961}
   (( segid "    " and resid 48   and name HG1 ))
   (( segid "    " and resid 44   and name HG2 ))
 ASSI { 1967}
   (( segid "    " and resid 87   and name HG2 ))
   (  segid "    " and resid 86   and name HB% )
      6.000     4.500     0.000 peak  1967 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.241 ppm2      1.429 CV     1
 OR { 1967}
   (( segid "    " and resid 109  and name HG1 ))
   (  segid "    " and resid 112  and name HG2%)
 OR { 1967}
   (( segid "    " and resid 109  and name HG1 ))
   (  segid "    " and resid 65   and name HB% )
 ASSI { 1994}
   (( segid "    " and resid 74   and name HG2 ))
   (( segid "    " and resid 70   and name HB1 ))
      6.000     4.500     0.000 peak  1994 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.917 ppm2      1.887 CV     1
 OR { 1994}
   (( segid "    " and resid 74   and name HG2 ))
   (( segid "    " and resid 75   and name HB2 ))
 ASSI { 2040}
   (( segid "    " and resid 124  and name HB1 ))
   (( segid "    " and resid 99   and name HG2 ))
      6.000     4.500     0.000 peak  2040 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.104 ppm2      2.636 CV     1
 OR { 2040}
   (( segid "    " and resid 124  and name HB2 ))
   (( segid "    " and resid 99   and name HG2 ))
 OR { 2040}
   (( segid "    " and resid 124  and name HB1 ))
   (( segid "    " and resid 127  and name HB1 ))
 OR { 2040}
   (( segid "    " and resid 124  and name HB2 ))
   (( segid "    " and resid 127  and name HB1 ))
 ASSI { 2041}
   (( segid "    " and resid 114  and name HB1 ))
   (( segid "    " and resid 114  and name HG1 ))
      6.000     4.500     0.000 peak  2041 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.093 ppm2      2.455 CV     1
 OR { 2041}
   (( segid "    " and resid 124  and name HB2 ))
   (( segid "    " and resid 121  and name HD2 ))
 ASSI { 2043}
   (( segid "    " and resid 124  and name HB2 ))
   (( segid "    " and resid 121  and name HG2 ))
      6.000     4.500     0.000 peak  2043 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.087 ppm2      1.049 CV     1
 OR { 2043}
   (( segid "    " and resid 114  and name HB1 ))
   (  segid "    " and resid 105  and name HG1%)
 OR { 2043}
   (( segid "    " and resid 124  and name HB2 ))
   (( segid "    " and resid 125  and name HB2 ))
 OR { 2043}
   (( segid "    " and resid 124  and name HB1 ))
   (( segid "    " and resid 121  and name HG2 ))
 OR { 2043}
   (( segid "    " and resid 124  and name HB1 ))
   (( segid "    " and resid 125  and name HB2 ))
 ASSI { 2053}
   (( segid "    " and resid 79   and name HG2 ))
   (( segid "    " and resid 78   and name HN  ))
      6.000     4.500     0.000 peak  2053 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.611 ppm2      7.608 CV     1
 OR { 2053}
   (( segid "    " and resid 79   and name HG2 ))
   (( segid "    " and resid 81   and name HN  ))
 ASSI { 2057}
   (( segid "    " and resid 79   and name HG2 ))
   (( segid "    " and resid 78   and name HB2 ))
      6.000     4.500     0.000 peak  2057 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.605 ppm2      1.550 CV     1
 OR { 2057}
   (( segid "    " and resid 79   and name HG2 ))
   (  segid "    " and resid 20   and name HB% )
 ASSI { 2073}
   (( segid "    " and resid 124  and name HB2 ))
   (( segid "    " and resid 121  and name HG1 ))
      6.000     4.500     0.000 peak  2073 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.101 ppm2      1.403 CV     1
 OR { 2073}
   (( segid "    " and resid 124  and name HB1 ))
   (( segid "    " and resid 121  and name HG1 ))
 OR { 2073}
   (( segid "    " and resid 124  and name HB1 ))
   (( segid "    " and resid 127  and name HG1 ))
 OR { 2073}
   (( segid "    " and resid 124  and name HB2 ))
   (( segid "    " and resid 127  and name HG1 ))
 ASSI { 2081}
   (( segid "    " and resid 136  and name HB  ))
   (( segid "    " and resid 135  and name HA  ))
      6.000     4.500     0.000 peak  2081 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.931 ppm2      3.826 CV     1
 OR { 2081}
   (( segid "    " and resid 136  and name HB  ))
   (( segid "    " and resid 125  and name HA  ))
 ASSI { 2107}
   (( segid "    " and resid 145  and name HG2 ))
   (( segid "    " and resid 146  and name HB  ))
      6.000     4.500     0.000 peak  2107 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.473 ppm2      1.792 CV     1
 OR { 2107}
   (( segid "    " and resid 145  and name HG1 ))
   (( segid "    " and resid 146  and name HB  ))
 OR { 2107}
   (( segid "    " and resid 145  and name HG2 ))
   (( segid "    " and resid 144  and name HB2 ))
 ASSI { 2108}
   (( segid "    " and resid 145  and name HG2 ))
   (( segid "    " and resid 146  and name HG11))
      6.000     4.500     0.000 peak  2108 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.475 ppm2      1.590 CV     1
 OR { 2108}
   (( segid "    " and resid 145  and name HG1 ))
   (( segid "    " and resid 146  and name HG11))
 OR { 2108}
   (( segid "    " and resid 145  and name HG2 ))
   (( segid "    " and resid 144  and name HG2 ))
 ASSI { 2111}
   (( segid "    " and resid 145  and name HG1 ))
   (( segid "    " and resid 141  and name HG2 ))
      6.000     4.500     0.000 peak  2111 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.469 ppm2      2.087 CV     1
 OR { 2111}
   (( segid "    " and resid 145  and name HG2 ))
   (( segid "    " and resid 141  and name HG2 ))
 OR { 2111}
   (( segid "    " and resid 145  and name HG1 ))
   (( segid "    " and resid 142  and name HB1 ))
 ASSI { 2131}
   (( segid "    " and resid 142  and name HB2 ))
   (( segid "    " and resid 144  and name HB2 ))
      6.000     4.500     0.000 peak  2131 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.245 ppm2      1.824 CV     1
 OR { 2131}
   (( segid "    " and resid 142  and name HB2 ))
   (( segid "    " and resid 146  and name HB  ))
 ASSI { 2177}
   (( segid "    " and resid 142  and name HG1 ))
   (( segid "    " and resid 142  and name HB2 ))
      6.000     4.500     0.000 peak  2177 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.799 ppm2      2.265 CV     1
 OR { 2177}
   (( segid "    " and resid 142  and name HG1 ))
   (( segid "    " and resid 141  and name HG1 ))
 ASSI { 2210}
   (( segid "    " and resid 110  and name HB1 ))
   (( segid "    " and resid 111  and name HB2 ))
      6.000     4.500     0.000 peak  2210 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.367 ppm2      0.895 CV     1
 OR { 2210}
   (( segid "    " and resid 154  and name HB1 ))
   (( segid "    " and resid 155  and name HG  ))
 OR { 2210}
   (( segid "    " and resid 154  and name HB2 ))
   (( segid "    " and resid 155  and name HG  ))
 ASSI { 2223}
   (( segid "    " and resid 44   and name HB1 ))
   (( segid "    " and resid 44   and name HA  ))
      6.000     4.500     0.000 peak  2223 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.168 ppm2      4.376 CV     1
 OR { 2223}
   (( segid "    " and resid 44   and name HB2 ))
   (( segid "    " and resid 44   and name HA  ))
 OR { 2223}
   (( segid "    " and resid 124  and name HG2 ))
   (( segid "    " and resid 124  and name HA  ))
 ASSI { 2254}
   (( segid "    " and resid 72   and name HB2 ))
   (  segid "    " and resid 69   and name HD1%)
      6.000     4.500     0.000 peak  2254 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.419 ppm2      0.930 CV     1
 OR { 2254}
   (( segid "    " and resid 72   and name HB2 ))
   (  segid "    " and resid 96   and name HD2%)
 OR { 2254}
   (( segid "    " and resid 72   and name HB2 ))
   (  segid "    " and resid 96   and name HD1%)
 ASSI { 2285}
   (( segid "    " and resid 119  and name HB1 ))
   (( segid "    " and resid 119  and name HG1 ))
      6.000     4.500     0.000 peak  2285 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.463 ppm2      0.486 CV     1
 OR { 2285}
   (( segid "    " and resid 119  and name HB1 ))
   (  segid "    " and resid 146  and name HD1%)
 ASSI { 2299}
   (( segid "    " and resid 138  and name HB1 ))
   (  segid "    " and resid 105  and name HG2%)
      6.000     4.500     0.000 peak  2299 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.388 ppm2      1.015 CV     1
 OR { 2299}
   (( segid "    " and resid 138  and name HB1 ))
   (  segid "    " and resid 105  and name HG1%)
 OR { 2299}
   (( segid "    " and resid 138  and name HB1 ))
   (  segid "    " and resid 136  and name HG1%)
 OR { 2299}
   (( segid "    " and resid 138  and name HB1 ))
   (  segid "    " and resid 136  and name HG2%)
 ASSI { 2316}
   (( segid "    " and resid 32   and name HB1 ))
   (( segid "    " and resid 34   and name HG  ))
      6.000     4.500     0.000 peak  2316 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.115 ppm2      0.805 CV     1
 OR { 2316}
   (( segid "    " and resid 32   and name HB1 ))
   (  segid "    " and resid 28   and name HD1%)
 OR { 2316}
   (( segid "    " and resid 32   and name HB1 ))
   (  segid "    " and resid 25   and name HD2%)
 OR { 2316}
   (( segid "    " and resid 32   and name HB1 ))
   (  segid "    " and resid 25   and name HD1%)
 ASSI { 2345}
   (( segid "    " and resid 104  and name HB2 ))
   (  segid "    " and resid 105  and name HG2%)
      6.000     4.500     0.000 peak  2345 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.176 ppm2      1.020 CV     1
 OR { 2345}
   (( segid "    " and resid 104  and name HB2 ))
   (( segid "    " and resid 106  and name HG11))
 OR { 2345}
   (( segid "    " and resid 104  and name HB2 ))
   (( segid "    " and resid 106  and name HG12))
 OR { 2345}
   (( segid "    " and resid 104  and name HB2 ))
   (  segid "    " and resid 105  and name HG1%)
 ASSI { 2362}
   (( segid "    " and resid 133  and name HB1 ))
   (( segid "    " and resid 134  and name HN  ))
      6.000     4.500     0.000 peak  2362 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.602 ppm2      8.255 CV     1
 OR { 2362}
   (( segid "    " and resid 18   and name HB  ))
   (( segid "    " and resid 10   and name HN  ))
 ASSI { 2369}
   (( segid "    " and resid 121  and name HB1 ))
   (( segid "    " and resid 121  and name HN  ))
      6.000     4.500     0.000 peak  2369 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.966 ppm2      7.038 CV     1
 OR { 2369}
   (( segid "    " and resid 121  and name HB1 ))
   (( segid "    " and resid 123  and name HN  ))
 ASSI { 2371}
   (( segid "    " and resid 121  and name HB2 ))
   (( segid "    " and resid 121  and name HN  ))
      6.000     4.500     0.000 peak  2371 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1     -0.387 ppm2      7.030 CV     1
 OR { 2371}
   (( segid "    " and resid 121  and name HB2 ))
   (( segid "    " and resid 123  and name HN  ))
 ASSI { 2378}
   (( segid "    " and resid 77   and name HB2 ))
   (( segid "    " and resid 20   and name HA  ))
      6.000     4.500     0.000 peak  2378 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.584 ppm2      4.178 CV     1
 OR { 2378}
   (( segid "    " and resid 77   and name HB2 ))
   (( segid "    " and resid 9    and name HA  ))
 ASSI { 2389}
   (( segid "    " and resid 127  and name HB2 ))
   (( segid "    " and resid 127  and name HA  ))
      6.000     4.500     0.000 peak  2389 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.941 ppm2      4.423 CV     1
 OR { 2389}
   (( segid "    " and resid 127  and name HB2 ))
   (( segid "    " and resid 124  and name HA  ))
 ASSI { 2413}
   (( segid "    " and resid 144  and name HB2 ))
   (( segid "    " and resid 145  and name HN  ))
      6.000     4.500     0.000 peak  2413 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.791 ppm2      6.742 CV     1
 OR { 2413}
   (( segid "    " and resid 144  and name HB2 ))
   (( segid "    " and resid 126  and name HD1 ))
 ASSI { 2415}
   (( segid "    " and resid 141  and name HB1 ))
   (( segid "    " and resid 136  and name HN  ))
      6.000     4.500     0.000 peak  2415 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.764 ppm2      8.393 CV     1
 OR { 2415}
   (( segid "    " and resid 141  and name HB1 ))
   (( segid "    " and resid 143  and name HN  ))
 ASSI { 2425}
   (( segid "    " and resid 18   and name HB  ))
   (( segid "    " and resid 17   and name HN  ))
      6.000     4.500     0.000 peak  2425 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.585 ppm2      8.189 CV     1
 OR { 2425}
   (( segid "    " and resid 18   and name HB  ))
   (( segid "    " and resid 20   and name HN  ))
 ASSI { 2428}
   (( segid "    " and resid 84   and name HB1 ))
   (  segid "    " and resid 83   and name HG2%)
      6.000     4.500     0.000 peak  2428 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.592 ppm2      0.941 CV     1
 OR { 2428}
   (( segid "    " and resid 18   and name HB  ))
   (( segid "    " and resid 54   and name HB2 ))
 OR { 2428}
   (( segid "    " and resid 18   and name HB  ))
   (( segid "    " and resid 15   and name HG  ))
 OR { 2428}
   (( segid "    " and resid 18   and name HB  ))
   (  segid "    " and resid 96   and name HD1%)
 OR { 2428}
   (( segid "    " and resid 18   and name HB  ))
   (  segid "    " and resid 96   and name HD2%)
 ASSI { 2459}
   (( segid "    " and resid 118  and name HG2 ))
   (( segid "    " and resid 146  and name HB  ))
      6.000     4.500     0.000 peak  2459 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.146 ppm2      1.822 CV     1
 OR { 2459}
   (( segid "    " and resid 50   and name HB2 ))
   (( segid "    " and resid 91   and name HB1 ))
 OR { 2459}
   (( segid "    " and resid 50   and name HB1 ))
   (( segid "    " and resid 91   and name HB1 ))
 ASSI { 2483}
   (( segid "    " and resid 66   and name HB2 ))
   (( segid "    " and resid 111  and name HG  ))
      6.000     4.500     0.000 peak  2483 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.261 ppm2      1.019 CV     1
 OR { 2483}
   (( segid "    " and resid 66   and name HB2 ))
   (( segid "    " and resid 70   and name HB2 ))
 OR { 2483}
   (( segid "    " and resid 66   and name HB2 ))
   (( segid "    " and resid 69   and name HG  ))
 ASSI { 2495}
   (( segid "    " and resid 118  and name HG1 ))
   (( segid "    " and resid 118  and name HA  ))
      6.000     4.500     0.000 peak  2495 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.294 ppm2      3.811 CV     1
 OR { 2495}
   (( segid "    " and resid 118  and name HG1 ))
   (( segid "    " and resid 119  and name HA  ))
 ASSI { 2524}
   (( segid "    " and resid 118  and name HG2 ))
   (  segid "    " and resid 125  and name HD1%)
      6.000     4.500     0.000 peak  2524 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.155 ppm2      0.460 CV     1
 OR { 2524}
   (( segid "    " and resid 118  and name HG2 ))
   (( segid "    " and resid 119  and name HG1 ))
 ASSI { 2526}
   (( segid "    " and resid 66   and name HB2 ))
   (( segid "    " and resid 66   and name HD2 ))
      6.000     4.500     0.000 peak  2526 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.262 ppm2      3.613 CV     1
 OR { 2526}
   (( segid "    " and resid 66   and name HB2 ))
   (( segid "    " and resid 67   and name HA  ))
 ASSI { 2529}
   (( segid "    " and resid 66   and name HB2 ))
   (( segid "    " and resid 66   and name HG1 ))
      6.000     4.500     0.000 peak  2529 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.259 ppm2      0.786 CV     1
 OR { 2529}
   (( segid "    " and resid 66   and name HB2 ))
   (  segid "    " and resid 98   and name HG2%)
 ASSI { 2536}
   (( segid "    " and resid 66   and name HB1 ))
   (( segid "    " and resid 66   and name HG1 ))
      6.000     4.500     0.000 peak  2536 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.518 ppm2      0.768 CV     1
 OR { 2536}
   (( segid "    " and resid 66   and name HB1 ))
   (  segid "    " and resid 98   and name HG2%)
 ASSI { 2554}
   (( segid "    " and resid 130  and name HB1 ))
   (( segid "    " and resid 131  and name HG12))
      6.000     4.500     0.000 peak  2554 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.261 ppm2      1.446 CV     1
 OR { 2554}
   (( segid "    " and resid 68   and name HB2 ))
   (  segid "    " and resid 65   and name HB% )
 ASSI { 2565}
   (( segid "    " and resid 61   and name HB2 ))
   (( segid "    " and resid 34   and name HG  ))
      6.000     4.500     0.000 peak  2565 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.724 ppm2      0.803 CV     1
 OR { 2565}
   (( segid "    " and resid 61   and name HB2 ))
   (  segid "    " and resid 28   and name HD1%)
 ASSI { 2592}
   (( segid "    " and resid 17   and name HB1 ))
   (( segid "    " and resid 93   and name HN  ))
      6.000     4.500     0.000 peak  2592 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.016 ppm2      8.869 CV     1
 OR { 2592}
   (( segid "    " and resid 87   and name HB1 ))
   (( segid "    " and resid 93   and name HN  ))
 ASSI { 2604}
   (( segid "    " and resid 33   and name HG12))
   (( segid "    " and resid 33   and name HA  ))
      6.000     4.500     0.000 peak  2604 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.573 ppm2      3.882 CV     1
 OR { 2604}
   (( segid "    " and resid 33   and name HG12))
   (( segid "    " and resid 26   and name HA2 ))
 OR { 2604}
   (( segid "    " and resid 33   and name HG11))
   (( segid "    " and resid 26   and name HA2 ))
 OR { 2604}
   (( segid "    " and resid 33   and name HG11))
   (( segid "    " and resid 33   and name HA  ))
 ASSI { 2605}
   (( segid "    " and resid 33   and name HG12))
   (( segid "    " and resid 33   and name HN  ))
      6.000     4.500     0.000 peak  2605 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.567 ppm2      9.159 CV     1
 OR { 2605}
   (( segid "    " and resid 33   and name HG11))
   (( segid "    " and resid 33   and name HN  ))
 OR { 2605}
   (( segid "    " and resid 33   and name HG12))
   (( segid "    " and resid 34   and name HN  ))
 OR { 2605}
   (( segid "    " and resid 33   and name HG11))
   (( segid "    " and resid 34   and name HN  ))
 ASSI { 2617}
   (( segid "    " and resid 145  and name HB2 ))
   (( segid "    " and resid 146  and name HG11))
      6.000     4.500     0.000 peak  2617 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.330 ppm2      1.584 CV     1
 OR { 2617}
   (( segid "    " and resid 145  and name HB2 ))
   (( segid "    " and resid 144  and name HG2 ))
 ASSI { 2624}
   (( segid "    " and resid 48   and name HB1 ))
   (( segid "    " and resid 49   and name HN  ))
      6.000     4.500     0.000 peak  2624 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.228 ppm2      8.513 CV     1
 OR { 2624}
   (( segid "    " and resid 48   and name HB1 ))
   (( segid "    " and resid 48   and name HN  ))
 ASSI { 2625}
   (( segid "    " and resid 48   and name HB1 ))
   (( segid "    " and resid 48   and name HA  ))
      6.000     4.500     0.000 peak  2625 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.232 ppm2      4.229 CV     1
 OR { 2625}
   (( segid "    " and resid 145  and name HB1 ))
   (( segid "    " and resid 145  and name HA  ))
 OR { 2625}
   (( segid "    " and resid 17   and name HB2 ))
   (( segid "    " and resid 17   and name HA  ))
 ASSI { 2635}
   (( segid "    " and resid 28   and name HG11))
   (( segid "    " and resid 64   and name HG  ))
      6.000     4.500     0.000 peak  2635 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.072 ppm2      0.760 CV     1
 OR { 2635}
   (( segid "    " and resid 28   and name HG12))
   (( segid "    " and resid 64   and name HG  ))
 OR { 2635}
   (( segid "    " and resid 28   and name HG11))
   (  segid "    " and resid 33   and name HG2%)
 OR { 2635}
   (( segid "    " and resid 76   and name HG12))
   (( segid "    " and resid 94   and name HG  ))
 OR { 2635}
   (( segid "    " and resid 28   and name HG12))
   (  segid "    " and resid 33   and name HG2%)
 ASSI { 2641}
   (( segid "    " and resid 87   and name HB1 ))
   (( segid "    " and resid 85   and name HN  ))
      6.000     4.500     0.000 peak  2641 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.011 ppm2      8.351 CV     1
 OR { 2641}
   (( segid "    " and resid 16   and name HB1 ))
   (( segid "    " and resid 85   and name HN  ))
 OR { 2641}
   (( segid "    " and resid 17   and name HB1 ))
   (( segid "    " and resid 85   and name HN  ))
 ASSI { 2642}
   (( segid "    " and resid 17   and name HB1 ))
   (( segid "    " and resid 93   and name HB  ))
      6.000     4.500     0.000 peak  2642 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.012 ppm2      4.395 CV     1
 OR { 2642}
   (( segid "    " and resid 87   and name HB1 ))
   (( segid "    " and resid 93   and name HB  ))
 ASSI { 2643}
   (( segid "    " and resid 17   and name HB1 ))
   (( segid "    " and resid 17   and name HA  ))
      6.000     4.500     0.000 peak  2643 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.002 ppm2      4.229 CV     1
 OR { 2643}
   (( segid "    " and resid 48   and name HB2 ))
   (( segid "    " and resid 48   and name HA  ))
 ASSI { 2645}
   (( segid "    " and resid 48   and name HB2 ))
   (( segid "    " and resid 49   and name HN  ))
      6.000     4.500     0.000 peak  2645 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.999 ppm2      8.502 CV     1
 OR { 2645}
   (( segid "    " and resid 48   and name HB2 ))
   (( segid "    " and resid 48   and name HN  ))
 OR { 2645}
   (( segid "    " and resid 17   and name HB1 ))
   (( segid "    " and resid 18   and name HN  ))
 ASSI { 2646}
   (( segid "    " and resid 17   and name HB1 ))
   (( segid "    " and resid 11   and name HG  ))
      6.000     4.500     0.000 peak  2646 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.996 ppm2      0.884 CV     1
 OR { 2646}
   (( segid "    " and resid 17   and name HB1 ))
   (  segid "    " and resid 76   and name HG2%)
 ASSI { 2672}
   (( segid "    " and resid 33   and name HG12))
   (( segid "    " and resid 58   and name HB  ))
      6.000     4.500     0.000 peak  2672 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.552 ppm2      1.971 CV     1
 OR { 2672}
   (( segid "    " and resid 33   and name HG11))
   (( segid "    " and resid 58   and name HB  ))
 OR { 2672}
   (( segid "    " and resid 33   and name HG11))
   (( segid "    " and resid 36   and name HB  ))
 ASSI { 2712}
   (( segid "    " and resid 79   and name HB2 ))
   (( segid "    " and resid 78   and name HN  ))
      6.000     4.500     0.000 peak  2712 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.098 ppm2      7.627 CV     1
 OR { 2712}
   (( segid "    " and resid 79   and name HB2 ))
   (( segid "    " and resid 81   and name HN  ))
 ASSI { 2733}
   (( segid "    " and resid 134  and name HB2 ))
   (( segid "    " and resid 134  and name HN  ))
      6.000     4.500     0.000 peak  2733 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.300 ppm2      8.284 CV     1
 OR { 2733}
   (( segid "    " and resid 80   and name HB1 ))
   (( segid "    " and resid 77   and name HN  ))
 OR { 2733}
   (( segid "    " and resid 80   and name HB2 ))
   (( segid "    " and resid 77   and name HN  ))
 ASSI { 2759}
   (( segid "    " and resid 98   and name HG12))
   (( segid "    " and resid 101  and name HB2 ))
      6.000     4.500     0.000 peak  2759 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.876 ppm2      2.322 CV     1
 OR { 2759}
   (( segid "    " and resid 98   and name HG12))
   (( segid "    " and resid 99   and name HB2 ))
 OR { 2759}
   (( segid "    " and resid 98   and name HG12))
   (( segid "    " and resid 99   and name HB1 ))
 ASSI { 2762}
   (( segid "    " and resid 146  and name HG11))
   (( segid "    " and resid 141  and name HG1 ))
      6.000     4.500     0.000 peak  2762 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.605 ppm2      2.288 CV     1
 OR { 2762}
   (( segid "    " and resid 100  and name HG  ))
   (( segid "    " and resid 99   and name HB1 ))
 OR { 2762}
   (( segid "    " and resid 100  and name HG  ))
   (( segid "    " and resid 99   and name HB2 ))
 OR { 2762}
   (( segid "    " and resid 100  and name HG  ))
   (( segid "    " and resid 101  and name HB2 ))
 ASSI { 2771}
   (( segid "    " and resid 127  and name HG2 ))
   (( segid "    " and resid 128  and name HN  ))
      6.000     4.500     0.000 peak  2771 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.019 ppm2      6.497 CV     1
 OR { 2771}
   (( segid "    " and resid 127  and name HG2 ))
   (( segid "    " and resid 124  and name HN  ))
 ASSI { 2795}
   (( segid "    " and resid 144  and name HG1 ))
   (( segid "    " and resid 144  and name HD2 ))
      6.000     4.500     0.000 peak  2795 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.618 ppm2      3.251 CV     1
 OR { 2795}
   (( segid "    " and resid 144  and name HG2 ))
   (( segid "    " and resid 148  and name HB2 ))
 OR { 2795}
   (( segid "    " and resid 144  and name HG2 ))
   (( segid "    " and resid 144  and name HD1 ))
 OR { 2795}
   (( segid "    " and resid 144  and name HG1 ))
   (( segid "    " and resid 144  and name HD1 ))
 OR { 2795}
   (( segid "    " and resid 144  and name HG2 ))
   (( segid "    " and resid 144  and name HD2 ))
 ASSI { 2836}
   (( segid "    " and resid 91   and name HG2 ))
   (( segid "    " and resid 11   and name HG  ))
      6.000     4.500     0.000 peak  2836 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.028 ppm2      0.884 CV     1
 OR { 2836}
   (( segid "    " and resid 44   and name HG1 ))
   (  segid "    " and resid 45   and name HD1%)
 ASSI { 2837}
   (( segid "    " and resid 44   and name HG1 ))
   (( segid "    " and resid 48   and name HN  ))
      6.000     4.500     0.000 peak  2837 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.019 ppm2      8.517 CV     1
 OR { 2837}
   (( segid "    " and resid 44   and name HG1 ))
   (( segid "    " and resid 49   and name HN  ))
 ASSI { 2838}
   (( segid "    " and resid 127  and name HG2 ))
   (( segid "    " and resid 124  and name HA  ))
      6.000     4.500     0.000 peak  2838 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.020 ppm2      4.415 CV     1
 OR { 2838}
   (( segid "    " and resid 127  and name HG2 ))
   (( segid "    " and resid 127  and name HA  ))
 ASSI { 2840}
   (( segid "    " and resid 44   and name HG1 ))
   (( segid "    " and resid 51   and name HB1 ))
      6.000     4.500     0.000 peak  2840 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.022 ppm2      2.311 CV     1
 OR { 2840}
   (( segid "    " and resid 44   and name HG1 ))
   (( segid "    " and resid 47   and name HB2 ))
 OR { 2840}
   (( segid "    " and resid 44   and name HG1 ))
   (( segid "    " and resid 50   and name HG2 ))
 ASSI { 2842}
   (( segid "    " and resid 44   and name HG1 ))
   (( segid "    " and resid 48   and name HE22))
      6.000     4.500     0.000 peak  2842 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.009 ppm2      7.615 CV     1
 OR { 2842}
   (( segid "    " and resid 44   and name HG1 ))
   (( segid "    " and resid 50   and name HN  ))
 ASSI { 2846}
   (( segid "    " and resid 44   and name HG2 ))
   (( segid "    " and resid 50   and name HN  ))
      6.000     4.500     0.000 peak  2846 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.937 ppm2      7.625 CV     1
 OR { 2846}
   (( segid "    " and resid 44   and name HG2 ))
   (( segid "    " and resid 48   and name HE22))
 ASSI { 2880}
   (( segid "    " and resid 150  and name HG2 ))
   (( segid "    " and resid 151  and name HN  ))
      6.000     4.500     0.000 peak  2880 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.510 ppm2      7.556 CV     1
 OR { 2880}
   (( segid "    " and resid 150  and name HG2 ))
   (( segid "    " and resid 148  and name HN  ))
 ASSI { 2881}
   (( segid "    " and resid 150  and name HG2 ))
   (( segid "    " and resid 120  and name HN  ))
      6.000     4.500     0.000 peak  2881 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.499 ppm2      7.515 CV     1
 OR { 2881}
   (( segid "    " and resid 150  and name HG2 ))
   (( segid "    " and resid 118  and name HN  ))
 ASSI { 2932}
   (( segid "    " and resid 25   and name HG  ))
   (( segid "    " and resid 25   and name HN  ))
      6.000     4.500     0.000 peak  2932 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.928 ppm2      8.980 CV     1
 OR { 2932}
   (( segid "    " and resid 25   and name HG  ))
   (( segid "    " and resid 32   and name HN  ))
 ASSI { 2957}
   (( segid "    " and resid 150  and name HG1 ))
   (( segid "    " and resid 151  and name HN  ))
      6.000     4.500     0.000 peak  2957 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.434 ppm2      7.573 CV     1
 OR { 2957}
   (( segid "    " and resid 150  and name HG1 ))
   (( segid "    " and resid 148  and name HN  ))
 ASSI { 2972}
   (( segid "    " and resid 84   and name HG1 ))
   (( segid "    " and resid 85   and name HB2 ))
      6.000     4.500     0.000 peak  2972 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.201 ppm2      1.789 CV     1
 OR { 2972}
   (( segid "    " and resid 135  and name HG  ))
   (( segid "    " and resid 100  and name HB1 ))
 ASSI { 2991}
   (  segid "    " and resid 64   and name HD2%)
   (( segid "    " and resid 29   and name HB2 ))
      6.000     4.500     0.000 peak  2991 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.699 ppm2      2.380 CV     1
 OR { 2991}
   (  segid "    " and resid 64   and name HD1%)
   (( segid "    " and resid 29   and name HB2 ))
 OR { 2991}
   (  segid "    " and resid 64   and name HD2%)
   (( segid "    " and resid 30   and name HB1 ))
 OR { 2991}
   (  segid "    " and resid 64   and name HD1%)
   (( segid "    " and resid 30   and name HB1 ))
 ASSI { 2998}
   (  segid "    " and resid 64   and name HD2%)
   (( segid "    " and resid 30   and name HG2 ))
      6.000     4.500     0.000 peak  2998 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.692 ppm2      2.182 CV     1
 OR { 2998}
   (  segid "    " and resid 64   and name HD1%)
   (( segid "    " and resid 68   and name HB1 ))
 OR { 2998}
   (  segid "    " and resid 64   and name HD2%)
   (( segid "    " and resid 68   and name HB1 ))
 OR { 2998}
   (  segid "    " and resid 64   and name HD1%)
   (( segid "    " and resid 30   and name HG2 ))
 ASSI { 3002}
   (  segid "    " and resid 70   and name HD1%)
   (( segid "    " and resid 110  and name HG2 ))
      6.000     4.500     0.000 peak  3002 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.470 ppm2      1.456 CV     1
 OR { 3002}
   (  segid "    " and resid 70   and name HD1%)
   (  segid "    " and resid 21   and name HB% )
 ASSI { 3003}
   (  segid "    " and resid 70   and name HD1%)
   (( segid "    " and resid 96   and name HG  ))
      6.000     4.500     0.000 peak  3003 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.461 ppm2      1.630 CV     1
 OR { 3003}
   (  segid "    " and resid 70   and name HD1%)
   (( segid "    " and resid 110  and name HB2 ))
 ASSI { 3025}
   (( segid "    " and resid 135  and name HG  ))
   (( segid "    " and resid 136  and name HN  ))
      6.000     4.500     0.000 peak  3025 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.205 ppm2      8.399 CV     1
 OR { 3025}
   (( segid "    " and resid 135  and name HG  ))
   (( segid "    " and resid 143  and name HN  ))
 ASSI { 3045}
   (  segid "    " and resid 70   and name HD1%)
   (( segid "    " and resid 110  and name HA  ))
      6.000     4.500     0.000 peak  3045 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.456 ppm2      4.223 CV     1
 OR { 3045}
   (  segid "    " and resid 70   and name HD1%)
   (( segid "    " and resid 73   and name HA  ))
 ASSI { 3051}
   (  segid "    " and resid 70   and name HD1%)
   (  segid "    " and resid 98   and name HG2%)
      6.000     4.500     0.000 peak  3051 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.456 ppm2      0.796 CV     1
 OR { 3051}
   (  segid "    " and resid 70   and name HD1%)
   (( segid "    " and resid 66   and name HG1 ))
 OR { 3051}
   (  segid "    " and resid 70   and name HD1%)
   (  segid "    " and resid 25   and name HD1%)
 ASSI { 3067}
   (( segid "    " and resid 114  and name HG1 ))
   (( segid "    " and resid 113  and name HB  ))
      6.000     4.500     0.000 peak  3067 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.451 ppm2      1.838 CV     1
 OR { 3067}
   (( segid "    " and resid 114  and name HG1 ))
   (( segid "    " and resid 138  and name HB2 ))
 ASSI { 3089}
   (( segid "    " and resid 111  and name HG  ))
   (( segid "    " and resid 98   and name HG12))
      6.000     4.500     0.000 peak  3089 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.040 ppm2      1.877 CV     1
 OR { 3089}
   (( segid "    " and resid 111  and name HG  ))
   (( segid "    " and resid 113  and name HB  ))
 ASSI { 3100}
   (( segid "    " and resid 147  and name HG  ))
   (( segid "    " and resid 144  and name HB2 ))
      6.000     4.500     0.000 peak  3100 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.887 ppm2      1.803 CV     1
 OR { 3100}
   (( segid "    " and resid 147  and name HG  ))
   (( segid "    " and resid 146  and name HB  ))
 ASSI { 3109}
   (( segid "    " and resid 34   and name HG  ))
   (( segid "    " and resid 3    and name HN  ))
      6.000     4.500     0.000 peak  3109 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.797 ppm2      9.294 CV     1
 OR { 3109}
   (( segid "    " and resid 34   and name HG  ))
   (( segid "    " and resid 60   and name HN  ))
 ASSI { 3115}
   (( segid "    " and resid 34   and name HG  ))
   (( segid "    " and resid 2    and name HA  ))
      6.000     4.500     0.000 peak  3115 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.786 ppm2      4.215 CV     1
 OR { 3115}
   (( segid "    " and resid 66   and name HG1 ))
   (( segid "    " and resid 110  and name HA  ))
 OR { 3115}
   (( segid "    " and resid 66   and name HG1 ))
   (( segid "    " and resid 64   and name HA  ))
 ASSI { 3159}
   (  segid "    " and resid 128  and name HD1%)
   (( segid "    " and resid 128  and name HA  ))
      6.000     4.500     0.000 peak  3159 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.559 ppm2      3.814 CV     1
 OR { 3159}
   (  segid "    " and resid 128  and name HD2%)
   (( segid "    " and resid 128  and name HA  ))
 OR { 3159}
   (  segid "    " and resid 128  and name HD2%)
   (( segid "    " and resid 125  and name HA  ))
 ASSI { 3170}
   (  segid "    " and resid 54   and name HD1%)
   (( segid "    " and resid 55   and name HB1 ))
      6.000     4.500     0.000 peak  3170 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1     -0.525 ppm2      3.162 CV     1
 OR { 3170}
   (  segid "    " and resid 54   and name HD1%)
   (( segid "    " and resid 41   and name HD2 ))
 ASSI { 3177}
   (  segid "    " and resid 54   and name HD1%)
   (( segid "    " and resid 54   and name HB1 ))
      6.000     4.500     0.000 peak  3177 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1     -0.521 ppm2      0.630 CV     1
 OR { 3177}
   (  segid "    " and resid 54   and name HD1%)
   (  segid "    " and resid 18   and name HG2%)
 ASSI { 3197}
   (  segid "    " and resid 111  and name HD1%)
   (( segid "    " and resid 98   and name HG12))
      6.000     4.500     0.000 peak  3197 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.286 ppm2      1.851 CV     1
 OR { 3197}
   (  segid "    " and resid 111  and name HD1%)
   (( segid "    " and resid 113  and name HB  ))
 ASSI { 3213}
   (  segid "    " and resid 54   and name HD1%)
   (( segid "    " and resid 39   and name HB1 ))
      6.000     4.500     0.000 peak  3213 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1     -0.520 ppm2      2.811 CV     1
 OR { 3213}
   (  segid "    " and resid 54   and name HD1%)
   (( segid "    " and resid 158  and name HB1 ))
 ASSI { 3223}
   (  segid "    " and resid 60   and name HD2%)
   (( segid "    " and resid 33   and name HA  ))
      6.000     4.500     0.000 peak  3223 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.642 ppm2      3.869 CV     1
 OR { 3223}
   (  segid "    " and resid 60   and name HD2%)
   (( segid "    " and resid 25   and name HA  ))
 ASSI { 3226}
   (  segid "    " and resid 60   and name HD2%)
   (( segid "    " and resid 5    and name HG12))
      6.000     4.500     0.000 peak  3226 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.643 ppm2      1.558 CV     1
 OR { 3226}
   (  segid "    " and resid 60   and name HD2%)
   (( segid "    " and resid 28   and name HB  ))
 ASSI { 3234}
   (  segid "    " and resid 135  and name HD2%)
   (( segid "    " and resid 128  and name HB1 ))
      6.000     4.500     0.000 peak  3234 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.374 ppm2      1.965 CV     1
 OR { 3234}
   (  segid "    " and resid 135  and name HD2%)
   (( segid "    " and resid 136  and name HB  ))
 ASSI { 3259}
   (( segid "    " and resid 143  and name HG  ))
   (( segid "    " and resid 143  and name HA  ))
      6.000     4.500     0.000 peak  3259 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.942 ppm2      4.082 CV     1
 OR { 3259}
   (( segid "    " and resid 15   and name HG  ))
   (( segid "    " and resid 16   and name HA  ))
 ASSI { 3260}
   (( segid "    " and resid 143  and name HG  ))
   (( segid "    " and resid 125  and name HA  ))
      6.000     4.500     0.000 peak  3260 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.945 ppm2      3.830 CV     1
 OR { 3260}
   (( segid "    " and resid 143  and name HG  ))
   (( segid "    " and resid 128  and name HA  ))
 ASSI { 3261}
   (( segid "    " and resid 143  and name HG  ))
   (( segid "    " and resid 99   and name HG1 ))
      6.000     4.500     0.000 peak  3261 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.945 ppm2      2.158 CV     1
 OR { 3261}
   (( segid "    " and resid 143  and name HG  ))
   (( segid "    " and resid 118  and name HG2 ))
 ASSI { 3269}
   (  segid "    " and resid 60   and name HD2%)
   (  segid "    " and resid 28   and name HD1%)
      6.000     4.500     0.000 peak  3269 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.642 ppm2      0.795 CV     1
 OR { 3269}
   (  segid "    " and resid 60   and name HD2%)
   (  segid "    " and resid 25   and name HD1%)
 ASSI { 3278}
   (( segid "    " and resid 23   and name HG2 ))
   (( segid "    " and resid 20   and name HA  ))
      6.000     4.500     0.000 peak  3278 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.527 ppm2      4.172 CV     1
 OR { 3278}
   (( segid "    " and resid 23   and name HG2 ))
   (( segid "    " and resid 24   and name HA  ))
 ASSI { 3287}
   (( segid "    " and resid 23   and name HG1 ))
   (( segid "    " and resid 20   and name HA  ))
      6.000     4.500     0.000 peak  3287 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.425 ppm2      4.174 CV     1
 OR { 3287}
   (( segid "    " and resid 23   and name HG1 ))
   (( segid "    " and resid 24   and name HA  ))
 ASSI { 3304}
   (  segid "    " and resid 100  and name HD2%)
   (( segid "    " and resid 100  and name HN  ))
      6.000     4.500     0.000 peak  3304 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.054 ppm2      7.482 CV     1
 OR { 3304}
   (  segid "    " and resid 100  and name HD2%)
   (( segid "    " and resid 139  and name HN  ))
 ASSI { 3309}
   (  segid "    " and resid 100  and name HD2%)
   (( segid "    " and resid 113  and name HA  ))
      6.000     4.500     0.000 peak  3309 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.056 ppm2      4.295 CV     1
 OR { 3309}
   (  segid "    " and resid 100  and name HD2%)
   (( segid "    " and resid 137  and name HA  ))
 ASSI { 3316}
   (  segid "    " and resid 100  and name HD2%)
   (( segid "    " and resid 100  and name HB2 ))
      6.000     4.500     0.000 peak  3316 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.056 ppm2      1.986 CV     1
 OR { 3316}
   (  segid "    " and resid 100  and name HD2%)
   (( segid "    " and resid 138  and name HG1 ))
 OR { 3316}
   (  segid "    " and resid 100  and name HD2%)
   (( segid "    " and resid 138  and name HG2 ))
 ASSI { 3334}
   (( segid "    " and resid 143  and name HG  ))
   (( segid "    " and resid 142  and name HB1 ))
      6.000     4.500     0.000 peak  3334 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.950 ppm2      2.045 CV     1
 OR { 3334}
   (( segid "    " and resid 15   and name HG  ))
   (( segid "    " and resid 16   and name HB2 ))
 OR { 3334}
   (( segid "    " and resid 15   and name HG  ))
   (( segid "    " and resid 16   and name HB1 ))
 ASSI { 3338}
   (( segid "    " and resid 11   and name HG  ))
   (( segid "    " and resid 10   and name HN  ))
      6.000     4.500     0.000 peak  3338 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.890 ppm2      8.257 CV     1
 OR { 3338}
   (( segid "    " and resid 11   and name HG  ))
   (( segid "    " and resid 12   and name HN  ))
 ASSI { 3348}
   (  segid "    " and resid 25   and name HD1%)
   (( segid "    " and resid 25   and name HA  ))
      6.000     4.500     0.000 peak  3348 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.822 ppm2      3.882 CV     1
 OR { 3348}
   (  segid "    " and resid 25   and name HD2%)
   (( segid "    " and resid 25   and name HA  ))
 OR { 3348}
   (  segid "    " and resid 25   and name HD2%)
   (( segid "    " and resid 33   and name HA  ))
 OR { 3348}
   (  segid "    " and resid 25   and name HD2%)
   (( segid "    " and resid 26   and name HA2 ))
 OR { 3348}
   (  segid "    " and resid 25   and name HD1%)
   (( segid "    " and resid 33   and name HA  ))
 ASSI { 3364}
   (  segid "    " and resid 147  and name HD1%)
   (( segid "    " and resid 123  and name HN  ))
      6.000     4.500     0.000 peak  3364 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1     -0.469 ppm2      7.028 CV     1
 OR { 3364}
   (  segid "    " and resid 147  and name HD1%)
   (( segid "    " and resid 121  and name HN  ))
 ASSI { 3369}
   (  segid "    " and resid 147  and name HD1%)
   (( segid "    " and resid 147  and name HB2 ))
      6.000     4.500     0.000 peak  3369 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1     -0.471 ppm2      1.088 CV     1
 OR { 3369}
   (  segid "    " and resid 147  and name HD1%)
   (( segid "    " and resid 125  and name HB2 ))
 ASSI { 3390}
   (  segid "    " and resid 111  and name HD2%)
   (( segid "    " and resid 67   and name HB2 ))
      6.000     4.500     0.000 peak  3390 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.350 ppm2      1.857 CV     1
 OR { 3390}
   (  segid "    " and resid 111  and name HD2%)
   (( segid "    " and resid 98   and name HG12))
 OR { 3390}
   (  segid "    " and resid 111  and name HD2%)
   (( segid "    " and resid 67   and name HB1 ))
 OR { 3390}
   (  segid "    " and resid 111  and name HD2%)
   (( segid "    " and resid 113  and name HB  ))
 ASSI { 3413}
   (  segid "    " and resid 111  and name HD2%)
   (  segid "    " and resid 65   and name HB% )
      6.000     4.500     0.000 peak  3413 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.352 ppm2      1.440 CV     1
 OR { 3413}
   (  segid "    " and resid 111  and name HD2%)
   (( segid "    " and resid 106  and name HB  ))
 ASSI { 3422}
   (  segid "    " and resid 56   and name HB% )
   (  segid "    " and resid 36   and name HG1%)
      6.000     4.500     0.000 peak  3422 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.451 ppm2      1.086 CV     1
 OR { 3422}
   (  segid "    " and resid 56   and name HB% )
   (  segid "    " and resid 22   and name HD2%)
 ASSI { 3423}
   (  segid "    " and resid 56   and name HB% )
   (  segid "    " and resid 18   and name HG2%)
      6.000     4.500     0.000 peak  3423 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.451 ppm2      0.663 CV     1
 OR { 3423}
   (  segid "    " and resid 56   and name HB% )
   (  segid "    " and resid 7    and name HD1%)
 ASSI { 3424}
   (  segid "    " and resid 56   and name HB% )
   (  segid "    " and resid 18   and name HG1%)
      6.000     4.500     0.000 peak  3424 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.450 ppm2      0.292 CV     1
 OR { 3424}
   (  segid "    " and resid 56   and name HB% )
   (( segid "    " and resid 128  and name HG  ))
 ASSI { 3429}
   (  segid "    " and resid 18   and name HG2%)
   (( segid "    " and resid 20   and name HN  ))
      6.000     4.500     0.000 peak  3429 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.641 ppm2      8.193 CV     1
 OR { 3429}
   (  segid "    " and resid 18   and name HG2%)
   (( segid "    " and resid 17   and name HN  ))
 ASSI { 3433}
   (  segid "    " and resid 69   and name HD1%)
   (( segid "    " and resid 73   and name HN  ))
      6.000     4.500     0.000 peak  3433 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.927 ppm2      9.290 CV     1
 OR { 3433}
   (  segid "    " and resid 69   and name HD2%)
   (( segid "    " and resid 73   and name HN  ))
 OR { 3433}
   (  segid "    " and resid 69   and name HD2%)
   (( segid "    " and resid 3    and name HN  ))
 ASSI { 3448}
   (( segid "    " and resid 94   and name HG  ))
   (( segid "    " and resid 78   and name HN  ))
      6.000     4.500     0.000 peak  3448 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.783 ppm2      7.602 CV     1
 OR { 3448}
   (( segid "    " and resid 94   and name HG  ))
   (( segid "    " and resid 81   and name HN  ))
 ASSI { 3459}
   (( segid "    " and resid 128  and name HG  ))
   (( segid "    " and resid 131  and name HG11))
      6.000     4.500     0.000 peak  3459 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.274 ppm2      1.605 CV     1
 OR { 3459}
   (( segid "    " and resid 128  and name HG  ))
   (( segid "    " and resid 100  and name HG  ))
 ASSI { 3460}
   (( segid "    " and resid 128  and name HG  ))
   (( segid "    " and resid 128  and name HB2 ))
      6.000     4.500     0.000 peak  3460 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.272 ppm2      1.217 CV     1
 OR { 3460}
   (( segid "    " and resid 128  and name HG  ))
   (  segid "    " and resid 59   and name HB% )
 ASSI { 3489}
   (  segid "    " and resid 69   and name HD2%)
   (( segid "    " and resid 66   and name HB2 ))
      6.000     4.500     0.000 peak  3489 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.954 ppm2      1.251 CV     1
 OR { 3489}
   (  segid "    " and resid 69   and name HD1%)
   (( segid "    " and resid 25   and name HB2 ))
 OR { 3489}
   (  segid "    " and resid 69   and name HD1%)
   (( segid "    " and resid 66   and name HB2 ))
 ASSI { 3490}
   (  segid "    " and resid 69   and name HD1%)
   (( segid "    " and resid 28   and name HG12))
      6.000     4.500     0.000 peak  3490 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.938 ppm2      2.055 CV     1
 OR { 3490}
   (  segid "    " and resid 69   and name HD2%)
   (( segid "    " and resid 98   and name HB  ))
 OR { 3490}
   (  segid "    " and resid 69   and name HD1%)
   (( segid "    " and resid 28   and name HG11))
 OR { 3490}
   (  segid "    " and resid 69   and name HD2%)
   (( segid "    " and resid 28   and name HG12))
 ASSI { 3491}
   (( segid "    " and resid 155  and name HG  ))
   (( segid "    " and resid 127  and name HD1 ))
      6.000     4.500     0.000 peak  3491 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.910 ppm2      3.131 CV     1
 OR { 3491}
   (( segid "    " and resid 155  and name HG  ))
   (( segid "    " and resid 158  and name HB2 ))
 ASSI { 3514}
   (  segid "    " and resid 70   and name HD2%)
   (( segid "    " and resid 96   and name HB1 ))
      6.000     4.500     0.000 peak  3514 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.684 ppm2      2.093 CV     1
 OR { 3514}
   (  segid "    " and resid 70   and name HD2%)
   (( segid "    " and resid 98   and name HB  ))
 ASSI { 3533}
   (  segid "    " and resid 54   and name HD2%)
   (( segid "    " and resid 158  and name HB2 ))
      6.000     4.500     0.000 peak  3533 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.173 ppm2      3.136 CV     1
 OR { 3533}
   (  segid "    " and resid 54   and name HD2%)
   (( segid "    " and resid 55   and name HB1 ))
 ASSI { 3557}
   (  segid "    " and resid 113  and name HG1%)
   (( segid "    " and resid 102  and name HA1 ))
      6.000     4.500     0.000 peak  3557 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.851 ppm2      3.872 CV     1
 OR { 3557}
   (  segid "    " and resid 113  and name HG1%)
   (( segid "    " and resid 102  and name HA2 ))
 OR { 3557}
   (  segid "    " and resid 113  and name HG1%)
   (( segid "    " and resid 111  and name HA  ))
 ASSI { 3559}
   (  segid "    " and resid 113  and name HG1%)
   (( segid "    " and resid 113  and name HB  ))
      6.000     4.500     0.000 peak  3559 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.853 ppm2      1.854 CV     1
 OR { 3559}
   (  segid "    " and resid 113  and name HG1%)
   (( segid "    " and resid 138  and name HB2 ))
 ASSI { 3602}
   (  segid "    " and resid 73   and name HG2%)
   (( segid "    " and resid 72   and name HN  ))
      6.000     4.500     0.000 peak  3602 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.055 ppm2      7.702 CV     1
 OR { 3602}
   (  segid "    " and resid 73   and name HG2%)
   (( segid "    " and resid 71   and name HN  ))
 ASSI { 3608}
   (  segid "    " and resid 2    and name HG2%)
   (( segid "    " and resid 2    and name HA  ))
      6.000     4.500     0.000 peak  3608 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.754 ppm2      4.216 CV     1
 OR { 3608}
   (( segid "    " and resid 64   and name HG  ))
   (( segid "    " and resid 64   and name HA  ))
 ASSI { 3610}
   (( segid "    " and resid 64   and name HG  ))
   (( segid "    " and resid 31   and name HB2 ))
      6.000     4.500     0.000 peak  3610 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.757 ppm2      3.598 CV     1
 OR { 3610}
   (  segid "    " and resid 2    and name HG2%)
   (( segid "    " and resid 1    and name HA  ))
 OR { 3610}
   (( segid "    " and resid 64   and name HG  ))
   (( segid "    " and resid 31   and name HB1 ))
 ASSI { 3611}
   (  segid "    " and resid 2    and name HG2%)
   (( segid "    " and resid 61   and name HG2 ))
      6.000     4.500     0.000 peak  3611 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.755 ppm2      1.903 CV     1
 OR { 3611}
   (( segid "    " and resid 64   and name HG  ))
   (( segid "    " and resid 29   and name HB1 ))
 ASSI { 3612}
   (  segid "    " and resid 2    and name HG2%)
   (( segid "    " and resid 2    and name HB  ))
      6.000     4.500     0.000 peak  3612 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.757 ppm2      1.748 CV     1
 OR { 3612}
   (( segid "    " and resid 64   and name HG  ))
   (( segid "    " and resid 64   and name HB1 ))
 ASSI { 3615}
   (( segid "    " and resid 64   and name HG  ))
   (( segid "    " and resid 65   and name HN  ))
      6.000     4.500     0.000 peak  3615 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.747 ppm2      8.372 CV     1
 OR { 3615}
   (  segid "    " and resid 2    and name HG2%)
   (( segid "    " and resid 102  and name HN  ))
 ASSI { 3619}
   (( segid "    " and resid 64   and name HG  ))
   (( segid "    " and resid 29   and name HB2 ))
      6.000     4.500     0.000 peak  3619 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.747 ppm2      2.386 CV     1
 OR { 3619}
   (( segid "    " and resid 64   and name HG  ))
   (( segid "    " and resid 30   and name HB1 ))
 OR { 3619}
   (( segid "    " and resid 64   and name HG  ))
   (( segid "    " and resid 68   and name HG1 ))
 ASSI { 3622}
   (  segid "    " and resid 149  and name HG2%)
   (( segid "    " and resid 148  and name HN  ))
      6.000     4.500     0.000 peak  3622 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.261 ppm2      7.570 CV     1
 OR { 3622}
   (  segid "    " and resid 149  and name HG2%)
   (( segid "    " and resid 151  and name HN  ))
 ASSI { 3631}
   (  segid "    " and resid 35   and name HG2%)
   (( segid "    " and resid 36   and name HN  ))
      6.000     4.500     0.000 peak  3631 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.243 ppm2      8.293 CV     1
 OR { 3631}
   (  segid "    " and resid 59   and name HB% )
   (( segid "    " and resid 132  and name HN  ))
 ASSI { 3635}
   (  segid "    " and resid 59   and name HB% )
   (( segid "    " and resid 58   and name HA  ))
      6.000     4.500     0.000 peak  3635 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.237 ppm2      4.905 CV     1
 OR { 3635}
   (  segid "    " and resid 59   and name HB% )
   (( segid "    " and resid 5    and name HA  ))
 ASSI { 3636}
   (  segid "    " and resid 35   and name HG2%)
   (( segid "    " and resid 131  and name HA  ))
      6.000     4.500     0.000 peak  3636 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.237 ppm2      4.480 CV     1
 OR { 3636}
   (  segid "    " and resid 59   and name HB% )
   (( segid "    " and resid 131  and name HA  ))
 ASSI { 3638}
   (  segid "    " and resid 59   and name HB% )
   (( segid "    " and resid 33   and name HA  ))
      6.000     4.500     0.000 peak  3638 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.243 ppm2      3.861 CV     1
 OR { 3638}
   (  segid "    " and resid 35   and name HG2%)
   (( segid "    " and resid 33   and name HA  ))
 OR { 3638}
   (  segid "    " and resid 59   and name HB% )
   (( segid "    " and resid 129  and name HA  ))
 OR { 3638}
   (  segid "    " and resid 35   and name HG2%)
   (( segid "    " and resid 130  and name HA  ))
 OR { 3638}
   (  segid "    " and resid 59   and name HB% )
   (( segid "    " and resid 130  and name HA  ))
 ASSI { 3640}
   (  segid "    " and resid 59   and name HB% )
   (( segid "    " and resid 58   and name HB  ))
      6.000     4.500     0.000 peak  3640 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.238 ppm2      1.931 CV     1
 OR { 3640}
   (  segid "    " and resid 35   and name HG2%)
   (( segid "    " and resid 36   and name HB  ))
 OR { 3640}
   (  segid "    " and resid 59   and name HB% )
   (( segid "    " and resid 127  and name HB2 ))
 OR { 3640}
   (  segid "    " and resid 59   and name HB% )
   (( segid "    " and resid 25   and name HG  ))
 ASSI { 3642}
   (  segid "    " and resid 59   and name HB% )
   (( segid "    " and resid 58   and name HN  ))
      6.000     4.500     0.000 peak  3642 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.231 ppm2      9.167 CV     1
 OR { 3642}
   (  segid "    " and resid 59   and name HB% )
   (( segid "    " and resid 34   and name HN  ))
 OR { 3642}
   (  segid "    " and resid 35   and name HG2%)
   (( segid "    " and resid 34   and name HN  ))
 ASSI { 3668}
   (  segid "    " and resid 113  and name HG2%)
   (( segid "    " and resid 138  and name HG1 ))
      6.000     4.500     0.000 peak  3668 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.147 ppm2      2.008 CV     1
 OR { 3668}
   (  segid "    " and resid 113  and name HG2%)
   (( segid "    " and resid 100  and name HB2 ))
 OR { 3668}
   (  segid "    " and resid 113  and name HG2%)
   (( segid "    " and resid 114  and name HG2 ))
 OR { 3668}
   (  segid "    " and resid 113  and name HG2%)
   (( segid "    " and resid 138  and name HG2 ))
 ASSI { 3679}
   (  segid "    " and resid 136  and name HG2%)
   (( segid "    " and resid 141  and name HB1 ))
      6.000     4.500     0.000 peak  3679 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.045 ppm2      1.731 CV     1
 OR { 3679}
   (  segid "    " and resid 136  and name HG1%)
   (( segid "    " and resid 141  and name HB1 ))
 OR { 3679}
   (  segid "    " and resid 136  and name HG2%)
   (( segid "    " and resid 135  and name HB2 ))
 ASSI { 3709}
   (  segid "    " and resid 147  and name HD2%)
   (( segid "    " and resid 125  and name HB2 ))
      6.000     4.500     0.000 peak  3709 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1     -0.564 ppm2      1.074 CV     1
 OR { 3709}
   (  segid "    " and resid 147  and name HD2%)
   (( segid "    " and resid 147  and name HB2 ))
 ASSI { 3715}
   (  segid "    " and resid 147  and name HD2%)
   (( segid "    " and resid 144  and name HB2 ))
      6.000     4.500     0.000 peak  3715 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1     -0.569 ppm2      1.804 CV     1
 OR { 3715}
   (  segid "    " and resid 147  and name HD2%)
   (( segid "    " and resid 146  and name HB  ))
 ASSI { 3726}
   (  segid "    " and resid 59   and name HB% )
   (( segid "    " and resid 59   and name HN  ))
      6.000     4.500     0.000 peak  3726 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.231 ppm2      8.595 CV     1
 OR { 3726}
   (  segid "    " and resid 59   and name HB% )
   (( segid "    " and resid 4    and name HN  ))
 ASSI { 3727}
   (  segid "    " and resid 3    and name HB% )
   (  segid "    " and resid 69   and name HD2%)
      6.000     4.500     0.000 peak  3727 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.214 ppm2      0.969 CV     1
 OR { 3727}
   (  segid "    " and resid 3    and name HB% )
   (( segid "    " and resid 98   and name HG11))
 OR { 3727}
   (  segid "    " and resid 3    and name HB% )
   (  segid "    " and resid 69   and name HD1%)
 ASSI { 3738}
   (  segid "    " and resid 105  and name HG2%)
   (( segid "    " and resid 138  and name HB1 ))
      6.000     4.500     0.000 peak  3738 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.007 ppm2      2.394 CV     1
 OR { 3738}
   (  segid "    " and resid 105  and name HG1%)
   (( segid "    " and resid 138  and name HB1 ))
 OR { 3738}
   (  segid "    " and resid 105  and name HG2%)
   (( segid "    " and resid 104  and name HB1 ))
 OR { 3738}
   (  segid "    " and resid 105  and name HG1%)
   (( segid "    " and resid 104  and name HB1 ))
 ASSI { 3746}
   (( segid "    " and resid 1    and name HG21))
   (( segid "    " and resid 3    and name HN  ))
      6.000     4.500     0.000 peak  3746 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.511 ppm2      9.245 CV     1
 OR { 3746}
   (( segid "    " and resid 1    and name HG21))
   (( segid "    " and resid 103  and name HN  ))
 ASSI { 3760}
   (  segid "    " and resid 6    and name HB% )
   (( segid "    " and resid 99   and name HB2 ))
      6.000     4.500     0.000 peak  3760 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.749 ppm2      2.318 CV     1
 OR { 3760}
   (  segid "    " and resid 6    and name HB% )
   (( segid "    " and resid 97   and name HB2 ))
 OR { 3760}
   (  segid "    " and resid 6    and name HB% )
   (( segid "    " and resid 99   and name HB1 ))
 ASSI { 3770}
   (  segid "    " and resid 112  and name HG2%)
   (( segid "    " and resid 116  and name HA  ))
      6.000     4.500     0.000 peak  3770 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.432 ppm2      4.174 CV     1
 OR { 3770}
   (  segid "    " and resid 112  and name HG2%)
   (( segid "    " and resid 114  and name HD1 ))
 ASSI { 3797}
   (  segid "    " and resid 36   and name HG2%)
   (( segid "    " and resid 33   and name HB  ))
      6.000     4.500     0.000 peak  3797 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.324 ppm2      1.795 CV     1
 OR { 3797}
   (  segid "    " and resid 36   and name HG2%)
   (( segid "    " and resid 60   and name HB1 ))
 ASSI { 3798}
   (  segid "    " and resid 36   and name HG2%)
   (  segid "    " and resid 33   and name HD1%)
      6.000     4.500     0.000 peak  3798 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.329 ppm2      0.854 CV     1
 OR { 3798}
   (  segid "    " and resid 36   and name HG2%)
   (  segid "    " and resid 22   and name HD1%)
 ASSI { 3802}
   (  segid "    " and resid 18   and name HG1%)
   (( segid "    " and resid 20   and name HN  ))
      6.000     4.500     0.000 peak  3802 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.295 ppm2      8.186 CV     1
 OR { 3802}
   (  segid "    " and resid 18   and name HG1%)
   (( segid "    " and resid 17   and name HN  ))
 ASSI { 3808}
   (  segid "    " and resid 18   and name HG1%)
   (( segid "    " and resid 15   and name HB1 ))
      6.000     4.500     0.000 peak  3808 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.297 ppm2      1.456 CV     1
 OR { 3808}
   (  segid "    " and resid 18   and name HG1%)
   (  segid "    " and resid 56   and name HB% )
 OR { 3808}
   (  segid "    " and resid 18   and name HG1%)
   (( segid "    " and resid 22   and name HB1 ))
 OR { 3808}
   (  segid "    " and resid 18   and name HG1%)
   (  segid "    " and resid 21   and name HB% )
 ASSI { 3813}
   (  segid "    " and resid 18   and name HG1%)
   (( segid "    " and resid 22   and name HG  ))
      6.000     4.500     0.000 peak  3813 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.294 ppm2      1.842 CV     1
 OR { 3813}
   (  segid "    " and resid 18   and name HG1%)
   (( segid "    " and resid 14   and name HB1 ))
 ASSI { 3816}
   (  segid "    " and resid 2    and name HG1%)
   (( segid "    " and resid 4    and name HN  ))
      6.000     4.500     0.000 peak  3816 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.126 ppm2      8.591 CV     1
 OR { 3816}
   (  segid "    " and resid 2    and name HG1%)
   (( segid "    " and resid 59   and name HN  ))
 ASSI { 3825}
   (  segid "    " and resid 2    and name HG1%)
   (  segid "    " and resid 59   and name HB% )
      6.000     4.500     0.000 peak  3825 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.124 ppm2      1.230 CV     1
 OR { 3825}
   (  segid "    " and resid 2    and name HG1%)
   (  segid "    " and resid 3    and name HB% )
 ASSI { 3827}
   (  segid "    " and resid 36   and name HG2%)
   (( segid "    " and resid 57   and name HN  ))
      6.000     4.500     0.000 peak  3827 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.331 ppm2      9.465 CV     1
 OR { 3827}
   (  segid "    " and resid 36   and name HG2%)
   (( segid "    " and resid 38   and name HN  ))
 ASSI { 3856}
   (  segid "    " and resid 24   and name HB% )
   (( segid "    " and resid 26   and name HN  ))
      6.000     4.500     0.000 peak  3856 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.521 ppm2      7.608 CV     1
 OR { 3856}
   (  segid "    " and resid 24   and name HB% )
   (( segid "    " and resid 78   and name HN  ))
 ASSI { 3857}
   (  segid "    " and resid 24   and name HB% )
   (( segid "    " and resid 75   and name HB1 ))
      6.000     4.500     0.000 peak  3857 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.522 ppm2      2.309 CV     1
 OR { 3857}
   (  segid "    " and resid 24   and name HB% )
   (( segid "    " and resid 80   and name HB2 ))
 OR { 3857}
   (  segid "    " and resid 24   and name HB% )
   (( segid "    " and resid 80   and name HB1 ))
 ASSI { 3862}
   (  segid "    " and resid 24   and name HB% )
   (( segid "    " and resid 23   and name HN  ))
      6.000     4.500     0.000 peak  3862 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.516 ppm2      7.744 CV     1
 OR { 3862}
   (  segid "    " and resid 24   and name HB% )
   (( segid "    " and resid 72   and name HN  ))
 ASSI { 3875}
   (  segid "    " and resid 132  and name HB% )
   (( segid "    " and resid 132  and name HN  ))
      6.000     4.500     0.000 peak  3875 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.991 ppm2      8.308 CV     1
 OR { 3875}
   (  segid "    " and resid 132  and name HB% )
   (( segid "    " and resid 134  and name HN  ))
 ASSI { 3879}
   (  segid "    " and resid 132  and name HB% )
   (( segid "    " and resid 135  and name HA  ))
      6.000     4.500     0.000 peak  3879 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.994 ppm2      3.820 CV     1
 OR { 3879}
   (  segid "    " and resid 132  and name HB% )
   (( segid "    " and resid 128  and name HA  ))
 ASSI { 3881}
   (  segid "    " and resid 132  and name HB% )
   (( segid "    " and resid 131  and name HB  ))
      6.000     4.500     0.000 peak  3881 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.996 ppm2      2.111 CV     1
 OR { 3881}
   (  segid "    " and resid 132  and name HB% )
   (( segid "    " and resid 134  and name HG1 ))
 ASSI { 3882}
   (  segid "    " and resid 132  and name HB% )
   (( segid "    " and resid 135  and name HB2 ))
      6.000     4.500     0.000 peak  3882 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.992 ppm2      1.716 CV     1
 OR { 3882}
   (  segid "    " and resid 132  and name HB% )
   (( segid "    " and resid 134  and name HB1 ))
 ASSI { 3891}
   (  segid "    " and resid 62   and name HG2%)
   (( segid "    " and resid 2    and name HA  ))
      6.000     4.500     0.000 peak  3891 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.086 ppm2      4.215 CV     1
 OR { 3891}
   (  segid "    " and resid 62   and name HG2%)
   (( segid "    " and resid 64   and name HA  ))
 ASSI { 3892}
   (  segid "    " and resid 62   and name HG2%)
   (( segid "    " and resid 66   and name HG2 ))
      6.000     4.500     0.000 peak  3892 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.087 ppm2      1.754 CV     1
 OR { 3892}
   (  segid "    " and resid 62   and name HG2%)
   (( segid "    " and resid 64   and name HB1 ))
 OR { 3892}
   (  segid "    " and resid 62   and name HG2%)
   (( segid "    " and resid 2    and name HB  ))
 ASSI { 3897}
   (  segid "    " and resid 21   and name HB% )
   (( segid "    " and resid 21   and name HN  ))
      6.000     4.500     0.000 peak  3897 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.439 ppm2      8.576 CV     1
 OR { 3897}
   (  segid "    " and resid 21   and name HB% )
   (( segid "    " and resid 22   and name HN  ))
 ASSI { 3899}
   (  segid "    " and resid 21   and name HB% )
   (( segid "    " and resid 94   and name HG  ))
      6.000     4.500     0.000 peak  3899 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.439 ppm2      0.797 CV     1
 OR { 3899}
   (  segid "    " and resid 21   and name HB% )
   (  segid "    " and resid 25   and name HD1%)
 ASSI { 3916}
   (  segid "    " and resid 86   and name HB% )
   (( segid "    " and resid 86   and name HN  ))
      6.000     4.500     0.000 peak  3916 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.410 ppm2      8.469 CV     1
 OR { 3916}
   (  segid "    " and resid 86   and name HB% )
   (( segid "    " and resid 87   and name HN  ))
 ASSI { 3941}
   (  segid "    " and resid 20   and name HB% )
   (( segid "    " and resid 17   and name HE22))
      6.000     4.500     0.000 peak  3941 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.526 ppm2      7.756 CV     1
 OR { 3941}
   (  segid "    " and resid 20   and name HB% )
   (( segid "    " and resid 23   and name HN  ))
 ASSI { 3982}
   (  segid "    " and resid 76   and name HG2%)
   (( segid "    " and resid 23   and name HN  ))
      6.000     4.500     0.000 peak  3982 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.858 ppm2      7.762 CV     1
 OR { 3982}
   (  segid "    " and resid 76   and name HG2%)
   (( segid "    " and resid 17   and name HE22))
 ASSI { 3986}
   (  segid "    " and resid 76   and name HG2%)
   (( segid "    " and resid 78   and name HN  ))
      6.000     4.500     0.000 peak  3986 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.854 ppm2      7.607 CV     1
 OR { 3986}
   (  segid "    " and resid 76   and name HG2%)
   (( segid "    " and resid 81   and name HN  ))
 ASSI { 3989}
   (  segid "    " and resid 146  and name HG2%)
   (( segid "    " and resid 146  and name HN  ))
      6.000     4.500     0.000 peak  3989 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.742 ppm2      7.866 CV     1
 OR { 3989}
   (  segid "    " and resid 146  and name HG2%)
   (( segid "    " and resid 150  and name HN  ))
 ASSI { 3990}
   (  segid "    " and resid 146  and name HG2%)
   (( segid "    " and resid 148  and name HN  ))
      6.000     4.500     0.000 peak  3990 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.743 ppm2      7.569 CV     1
 OR { 3990}
   (  segid "    " and resid 33   and name HG2%)
   (( segid "    " and resid 26   and name HN  ))
 OR { 3990}
   (  segid "    " and resid 146  and name HG2%)
   (( segid "    " and resid 145  and name HE21))
 OR { 3990}
   (  segid "    " and resid 146  and name HG2%)
   (( segid "    " and resid 151  and name HN  ))
 ASSI { 3992}
   (  segid "    " and resid 146  and name HG2%)
   (( segid "    " and resid 143  and name HA  ))
      6.000     4.500     0.000 peak  3992 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.745 ppm2      4.073 CV     1
 OR { 3992}
   (  segid "    " and resid 146  and name HG2%)
   (( segid "    " and resid 122  and name HA2 ))
 OR { 3992}
   (  segid "    " and resid 146  and name HG2%)
   (( segid "    " and resid 151  and name HA  ))
 ASSI { 3995}
   (  segid "    " and resid 146  and name HG2%)
   (( segid "    " and resid 141  and name HG2 ))
      6.000     4.500     0.000 peak  3995 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.744 ppm2      2.086 CV     1
 OR { 3995}
   (  segid "    " and resid 33   and name HG2%)
   (( segid "    " and resid 28   and name HG11))
 OR { 3995}
   (  segid "    " and resid 33   and name HG2%)
   (( segid "    " and resid 28   and name HG12))
 ASSI { 4028}
   (  segid "    " and resid 33   and name HG2%)
   (( segid "    " and resid 34   and name HN  ))
      6.000     4.500     0.000 peak  4028 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.756 ppm2      9.157 CV     1
 OR { 4028}
   (  segid "    " and resid 33   and name HG2%)
   (( segid "    " and resid 33   and name HN  ))
 ASSI { 4030}
   (  segid "    " and resid 33   and name HG2%)
   (( segid "    " and resid 36   and name HN  ))
      6.000     4.500     0.000 peak  4030 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.757 ppm2      8.293 CV     1
 OR { 4030}
   (  segid "    " and resid 146  and name HG2%)
   (( segid "    " and resid 149  and name HN  ))
 ASSI { 4032}
   (  segid "    " and resid 33   and name HG2%)
   (( segid "    " and resid 33   and name HA  ))
      6.000     4.500     0.000 peak  4032 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.757 ppm2      3.860 CV     1
 OR { 4032}
   (  segid "    " and resid 33   and name HG2%)
   (( segid "    " and resid 26   and name HA2 ))
 ASSI { 4033}
   (  segid "    " and resid 33   and name HG2%)
   (( segid "    " and resid 36   and name HB  ))
      6.000     4.500     0.000 peak  4033 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.758 ppm2      1.943 CV     1
 OR { 4033}
   (  segid "    " and resid 33   and name HG2%)
   (( segid "    " and resid 58   and name HB  ))
 OR { 4033}
   (  segid "    " and resid 33   and name HG2%)
   (( segid "    " and resid 25   and name HG  ))
 ASSI { 4034}
   (  segid "    " and resid 33   and name HG2%)
   (( segid "    " and resid 32   and name HD2 ))
      6.000     4.500     0.000 peak  4034 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.744 ppm2      6.985 CV     1
 OR { 4034}
   (  segid "    " and resid 33   and name HG2%)
   (  segid "    " and resid 39   and name HD% )
 OR { 4034}
   (  segid "    " and resid 146  and name HG2%)
   (( segid "    " and resid 148  and name HD2 ))
 ASSI { 4047}
   (  segid "    " and resid 5    and name HG2%)
   (( segid "    " and resid 97   and name HN  ))
      6.000     4.500     0.000 peak  4047 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.826 ppm2      8.833 CV     1
 OR { 4047}
   (  segid "    " and resid 5    and name HG2%)
   (( segid "    " and resid 7    and name HN  ))
 ASSI { 4070}
   (  segid "    " and resid 28   and name HD1%)
   (( segid "    " and resid 31   and name HN  ))
      6.000     4.500     0.000 peak  4070 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.795 ppm2      7.286 CV     1
 OR { 4070}
   (  segid "    " and resid 28   and name HD1%)
   (( segid "    " and resid 27   and name HN  ))
 ASSI { 4073}
   (  segid "    " and resid 98   and name HG2%)
   (( segid "    " and resid 66   and name HD1 ))
      6.000     4.500     0.000 peak  4073 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.794 ppm2      3.422 CV     1
 OR { 4073}
   (  segid "    " and resid 28   and name HD1%)
   (( segid "    " and resid 72   and name HB2 ))
 ASSI { 4075}
   (  segid "    " and resid 28   and name HD1%)
   (( segid "    " and resid 29   and name HD1 ))
      6.000     4.500     0.000 peak  4075 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.796 ppm2      2.748 CV     1
 OR { 4075}
   (  segid "    " and resid 98   and name HG2%)
   (( segid "    " and resid 4    and name HB2 ))
 ASSI { 4076}
   (  segid "    " and resid 146  and name HD1%)
   (( segid "    " and resid 141  and name HA  ))
      6.000     4.500     0.000 peak  4076 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.490 ppm2      4.283 CV     1
 OR { 4076}
   (  segid "    " and resid 146  and name HD1%)
   (( segid "    " and resid 137  and name HA  ))
 ASSI { 4080}
   (  segid "    " and resid 146  and name HD1%)
   (( segid "    " and resid 141  and name HG1 ))
      6.000     4.500     0.000 peak  4080 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.478 ppm2      2.264 CV     1
 OR { 4080}
   (  segid "    " and resid 146  and name HD1%)
   (( segid "    " and resid 145  and name HB1 ))
 OR { 4080}
   (  segid "    " and resid 146  and name HD1%)
   (( segid "    " and resid 142  and name HB2 ))
 ASSI { 4088}
   (  segid "    " and resid 146  and name HD1%)
   (( segid "    " and resid 141  and name HA  ))
      6.000     4.500     0.000 peak  4088 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.475 ppm2      4.272 CV     1
 OR { 4088}
   (  segid "    " and resid 146  and name HD1%)
   (( segid "    " and resid 145  and name HA  ))
 ASSI { 4115}
   (  segid "    " and resid 28   and name HD1%)
   (( segid "    " and resid 32   and name HN  ))
      6.000     4.500     0.000 peak  4115 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.795 ppm2      8.984 CV     1
 OR { 4115}
   (  segid "    " and resid 28   and name HD1%)
   (( segid "    " and resid 25   and name HN  ))
 ASSI { 4117}
   (  segid "    " and resid 28   and name HD1%)
   (( segid "    " and resid 25   and name HA  ))
      6.000     4.500     0.000 peak  4117 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.796 ppm2      3.865 CV     1
 OR { 4117}
   (  segid "    " and resid 98   and name HG2%)
   (( segid "    " and resid 111  and name HA  ))
 ASSI { 4118}
   (  segid "    " and resid 28   and name HD1%)
   (( segid "    " and resid 28   and name HG12))
      6.000     4.500     0.000 peak  4118 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.797 ppm2      2.080 CV     1
 OR { 4118}
   (  segid "    " and resid 98   and name HG2%)
   (( segid "    " and resid 98   and name HB  ))
 OR { 4118}
   (  segid "    " and resid 28   and name HD1%)
   (( segid "    " and resid 28   and name HG11))
 ASSI { 4119}
   (  segid "    " and resid 7    and name HD1%)
   (( segid "    " and resid 56   and name HN  ))
      6.000     4.500     0.000 peak  4119 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.665 ppm2      9.193 CV     1
 OR { 4119}
   (  segid "    " and resid 7    and name HD1%)
   (( segid "    " and resid 95   and name HN  ))
 ASSI { 4135}
   (  segid "    " and resid 7    and name HD1%)
   (( segid "    " and resid 22   and name HA  ))
      6.000     4.500     0.000 peak  4135 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.670 ppm2      3.943 CV     1
 OR { 4135}
   (  segid "    " and resid 7    and name HD1%)
   (( segid "    " and resid 21   and name HA  ))
 ASSI { 4148}
   (  segid "    " and resid 106  and name HD1%)
   (( segid "    " and resid 113  and name HB  ))
      6.000     4.500     0.000 peak  4148 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.617 ppm2      1.854 CV     1
 OR { 4148}
   (  segid "    " and resid 106  and name HD1%)
   (( segid "    " and resid 98   and name HG12))
 ASSI { 4154}
   (  segid "    " and resid 33   and name HD1%)
   (( segid "    " and resid 34   and name HN  ))
      6.000     4.500     0.000 peak  4154 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.867 ppm2      9.154 CV     1
 OR { 4154}
   (  segid "    " and resid 33   and name HD1%)
   (( segid "    " and resid 33   and name HN  ))
 ASSI { 4158}
   (  segid "    " and resid 33   and name HD1%)
   (( segid "    " and resid 33   and name HA  ))
      6.000     4.500     0.000 peak  4158 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.865 ppm2      3.899 CV     1
 OR { 4158}
   (  segid "    " and resid 33   and name HD1%)
   (( segid "    " and resid 26   and name HA2 ))
 ASSI { 4160}
   (  segid "    " and resid 33   and name HD1%)
   (( segid "    " and resid 58   and name HB  ))
      6.000     4.500     0.000 peak  4160 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.866 ppm2      1.951 CV     1
 OR { 4160}
   (  segid "    " and resid 33   and name HD1%)
   (( segid "    " and resid 36   and name HB  ))
 OR { 4160}
   (  segid "    " and resid 33   and name HD1%)
   (( segid "    " and resid 25   and name HG  ))
 ASSI { 4161}
   (  segid "    " and resid 33   and name HD1%)
   (  segid "    " and resid 59   and name HB% )
      6.000     4.500     0.000 peak  4161 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.867 ppm2      1.234 CV     1
 OR { 4161}
   (  segid "    " and resid 33   and name HD1%)
   (  segid "    " and resid 35   and name HG2%)
 OR { 4161}
   (  segid "    " and resid 33   and name HD1%)
   (( segid "    " and resid 25   and name HB2 ))
!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  -107.0 45.0 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  -112.0 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  -124.0 30.0 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  -106.0 25.0 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 -125.0 40.0 2
  !!    8
 assign (resid  7  and name c ) (resid  8  and name n ) 
        (resid  8  and name ca) (resid  8  and name c )  1.0 -114.0 45.0 2
  !!    9
 assign (resid  8  and name c ) (resid  9  and name n ) 
        (resid  9  and name ca) (resid  9  and name c )  1.0 -96.0 55.0 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  -68.0 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  -62.0 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  -66.0 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  -66.0 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  -68.0 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 -75.0 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 -123.0 50.0 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 -68.0 30.0 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 35.0 2
  !!    39
 assign (resid 38 and name c ) (resid 39 and name n ) 
        (resid 39 and name ca) (resid 39 and name c )  1.0 -98.0 35.0 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 -127.0 45.0 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 -122.0 35.0 2
  !!    53
 assign (resid 52 and name c ) (resid 53 and name n ) 
        (resid 53 and name ca) (resid 53 and name c )   1.0  -113.0 65.0 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  -135.0 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  -144.0 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  -106.0 35.0 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  -109.0 25.0 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  -103.0 25.0 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  -112.0 25.0 2
   !!    67
 assign (resid 66 and name c ) (resid 67 and name n ) 
        (resid 67 and name ca) (resid 67 and name c )   1.0 -64.0 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  -66.0 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  -64.0 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  -64.0 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 -66.0 25.0 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 -65.0 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
  !!    80
 assign (resid 79 and name c ) (resid 80 and name n ) 
        (resid 80 and name ca) (resid 80 and name c )   1.0 -95.0 30.0 2
  !!    81
!! assign (resid 80 and name c ) (resid 81 and name n ) 
!!        (resid 81 and name ca) (resid 81 and name c )   1.0  85.0 25.0 2
  !!    94
 assign (resid 93 and name c ) (resid 94 and name n ) 
        (resid 94 and name ca) (resid 94 and name c )   1.0 -125.0 50.0 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 -119.0 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  -110.0 30.0 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 -107.0 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 -77.0 35.0 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  -107.0 40.0 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  -110.0 75.0 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
  !!    111
 assign (resid 110 and name c ) (resid 111 and name n ) 
        (resid 111 and name ca) (resid 111 and name c )   1.0  -120.0 70.0 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  -101.0 30.0 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  -127.0 30.0 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 50.0 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  -76.0 35.0 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  -65.0 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
  !!    125
 assign (resid 124 and name c ) (resid 125 and name n ) 
        (resid 125 and name ca) (resid 125 and name c )   1.0  -63.0 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  -65.0 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  -61.0 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 -66.0 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
  !!    143
 assign (resid 142 and name c ) (resid 143 and name n ) 
        (resid 143 and name ca) (resid 143 and name c )  1.0 -62.0 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 -65.0 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 -69.0 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 35.0 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  -93.0 30.0 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  -86.0 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  135.0 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  138.0 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  129.0 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  132.0 30.0 2
    !!    8
 assign (resid 8 and name n ) (resid 8 and name ca) 
        (resid 8 and name c ) (resid 9 and name n )   1.0  140.0 35.0 2
  !!    9
 assign (resid 9 and name n ) (resid 9 and name ca) 
        (resid 9 and name c ) (resid 10 and name n )   1.0  138.0 35.0 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  -34.0 30.0 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  -41.0 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  -42.0 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
   !!    20
 assign (resid 20 and name n ) (resid 20 and name ca) 
        (resid 20 and name c ) (resid 21 and name n )   1.0  -42.0 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  -40.0 25.0 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  -36.0 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  -37.0 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  135.0 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 )  1.0 131.0 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 )  1.0 131.0 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 )  1.0 130.0 25.0 2
  !!   39
 assign (resid 39 and name n ) (resid 39 and name ca) 
        (resid 39 and name c ) (resid 40 and name n )  1.0 137.0 60.0 2   
!!   41
 assign (resid 41 and name n ) (resid 41 and name ca) 
        (resid 41 and name c ) (resid 42 and name n )  1.0 132.0 25.0 2
  !!    42
 assign (resid 42 and name n ) (resid 42 and name ca) 
        (resid 42 and name c ) (resid 43 and name n )  1.0 131.0 30.0 2
     !!    43
 assign (resid 43 and name n ) (resid 43 and name ca) 
        (resid 43 and name c ) (resid 44 and name n )  1.0 134.0 25.0 2
!!   53
 assign (resid 53 and name n ) (resid 53 and name ca) 
        (resid 53 and name c ) (resid 54 and name n )   1.0  140.0 35.0 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  149.0 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  145.0 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  140.0 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  120.0 25.0 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  117.0 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  137.0 40.0 2
  !!    67
 assign (resid 67 and name n ) (resid 67 and name ca) 
        (resid 67 and name c ) (resid 68 and name n )   1.0  -38.0 20.0 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  -42.0 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  -36.0 20.0 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  -44.0 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  -31.0 25.0 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  -42.0 20.0 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  -36.0 30.0 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 1.0 20.0 2
  !!    81
 assign (resid 81 and name n ) (resid 81 and name ca) 
        (resid 81 and name c ) (resid 82 and name n )   1.0  15.0 20.0 2
   !!    94
 assign (resid 94 and name n ) (resid 94 and name ca) 
        (resid 94 and name c ) (resid 95 and name n )   1.0  128.0 20.0 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  121.0 25.0 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  122.0 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  125.0 45.0 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  -33.0 35.0 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  126.0 55.0 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  145.0 40.0 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  131.0 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
!!    111
 assign (resid 111 and name n ) (resid 111 and name ca) 
        (resid 111 and name c ) (resid 112 and name n )   1.0  118.0 55.0 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  125.0 30.0 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  139.0 30.0 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  128.0 25.0 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
  !!    125
 assign (resid 125 and name n ) (resid 125 and name ca) 
        (resid 125 and name c ) (resid 126 and name n )   1.0  -44.0 20.0 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  -39.0 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  -36.0 20.0 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 -41.0 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
   !!    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  -18.0 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  145.0 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  132.0 45.0 2
! hbonds  
! sheets
assign (resid 62 and name HN )(resid  1 and name  O ) 2.00 0.4 0.4
assign (resid 62 and name  N )(resid  1 and name  C ) 4.00 0.4 0.4
assign (resid 60 and name HN )(resid  3 and name  O ) 2.00 0.4 0.4
assign (resid 60 and name  N )(resid  3 and name  C ) 4.00 0.4 0.4
assign (resid 3 and name HN )(resid  60 and name  O ) 2.00 0.4 0.4
assign (resid 3 and name  N )(resid  60 and name  C ) 4.00 0.4 0.4
assign (resid 58 and name HN )(resid  5 and name  O ) 2.00 0.4 0.4
assign (resid 58 and name  N )(resid  5 and name  C ) 4.00 0.4 0.4
assign (resid 5 and name HN )(resid  58 and name  O ) 2.00 0.4 0.4
assign (resid 5 and name  N )(resid  58 and name  C ) 4.00 0.4 0.4
assign (resid 56 and name HN )(resid  7 and name  O ) 2.00 0.4 0.4
assign (resid 56 and name  N )(resid  7 and name  C ) 4.00 0.4 0.4
assign (resid 7 and name HN )(resid  56 and name  O ) 2.00 0.4 0.4
assign (resid 7 and name  N )(resid  56 and name  C ) 4.00 0.4 0.4
assign (resid 54 and name HN )(resid  9 and name  O ) 2.00 0.4 0.4
assign (resid 54 and name  N )(resid  9 and name  C ) 4.00 0.4 0.4
assign (resid 9 and name HN )(resid  54 and name  O ) 2.00 0.4 0.4
assign (resid 9 and name  N )(resid  54 and name  C ) 4.00 0.4 0.4

assign (resid 102 and name HN )(resid  2 and name  O ) 2.00 0.4 0.4
assign (resid 102 and name  N )(resid  2 and name  C ) 4.00 0.4 0.4
assign (resid 100 and name HN )(resid  4 and name  O ) 2.00 0.4 0.4
assign (resid 100 and name  N )(resid  4 and name  C ) 4.00 0.4 0.4
assign (resid 4 and name HN )(resid  100 and name  O ) 2.00 0.4 0.4
assign (resid 4 and name  N )(resid  100 and name  C ) 4.00 0.4 0.4
assign (resid 97 and name HN )(resid  6 and name  O ) 2.00 0.4 0.4
assign (resid 97 and name  N )(resid  6 and name  C ) 4.00 0.4 0.4
assign (resid 6 and name HN )(resid  97 and name  O ) 2.00 0.4 0.4
assign (resid 6 and name  N )(resid  97 and name  C ) 4.00 0.4 0.4
assign (resid 95 and name HN )(resid  8 and name  O ) 2.00 0.4 0.4
assign (resid 95 and name  N )(resid  8 and name  C ) 4.00 0.4 0.4
assign (resid 8 and name HN )(resid  95 and name  O ) 2.00 0.4 0.4
assign (resid 8 and name  N )(resid  95 and name  C ) 4.00 0.4 0.4

assign (resid 53 and name HN )(resid  42 and name  O ) 2.00 0.4 0.4
assign (resid 53 and name  N )(resid  42 and name  C ) 4.00 0.4 0.4
assign (resid 42 and name HN )(resid  53 and name  O ) 2.00 0.4 0.4
assign (resid 42 and name  N )(resid  53 and name  C ) 4.00 0.4 0.4
assign (resid 55 and name HN )(resid  40 and name  O ) 2.00 0.4 0.4
assign (resid 55 and name  N )(resid  40 and name  C ) 4.00 0.4 0.4
assign (resid 40 and name HN )(resid  55 and name  O ) 2.00 0.4 0.4
assign (resid 40 and name  N )(resid  55 and name  C ) 4.00 0.4 0.4
assign (resid 37 and name HN )(resid  57 and name  O ) 2.00 0.4 0.4
assign (resid 37 and name  N )(resid  57 and name  C ) 4.00 0.4 0.4
assign (resid 59 and name HN )(resid  35 and name  O ) 2.00 0.4 0.4
assign (resid 59 and name  N )(resid  35 and name  C ) 4.00 0.4 0.4
assign (resid 35 and name HN )(resid  59 and name  O ) 2.00 0.4 0.4
assign (resid 35 and name  N )(resid  59 and name  C ) 4.00 0.4 0.4
assign (resid 61 and name HN )(resid  32 and name  O ) 2.00 0.4 0.4
assign (resid 61 and name  N )(resid  32 and name  C ) 4.00 0.4 0.4
assign (resid 32 and name HN )(resid  61 and name  O ) 2.00 0.4 0.4
assign (resid 32 and name  N )(resid  61 and name  C ) 4.00 0.4 0.4

assign (resid 158 and name HN )(resid  39 and name  O ) 2.00 0.4 0.4
assign (resid 158 and name  N )(resid  39 and name  C ) 4.00 0.4 0.4
assign (resid 41 and name HN )(resid  156 and name  O ) 2.00 0.4 0.4
assign (resid 41 and name  N )(resid  156 and name  C ) 4.00 0.4 0.4

!assign (resid 106 and name HN )(resid  113 and name  O ) 2.00 0.4 0.4
!assign (resid 106 and name  N )(resid  113 and name  C ) 4.00 0.4 0.4
!assign (resid 113 and name HN )(resid  106 and name  O ) 2.00 0.4 0.4
!assign (resid 113 and name  N )(resid  106 and name  C ) 4.00 0.4 0.4
!assign (resid 108 and name HN )(resid  111 and name  O ) 2.00 0.4 0.4
!assign (resid 108 and name  N )(resid  111 and name  C ) 4.00 0.4 0.4

! helices

assign (resid 14 and name o) (resid 18 and name hn) 2.0 0.7 0.5
assign (resid 14 and name o) (resid 18 and name n) 3.0 0.7 0.5
assign (resid 15 and name o) (resid 19 and name hn) 2.0 0.7 0.5
assign (resid 15 and name o) (resid 19 and name n) 3.0 0.7 0.5
assign (resid 16 and name o) (resid 20 and name hn) 2.0 0.7 0.5
assign (resid 16 and name o) (resid 20 and name n) 3.0 0.7 0.5
assign (resid 17 and name o) (resid 21 and name hn) 2.0 0.7 0.5
assign (resid 17 and name o) (resid 21 and name n) 3.0 0.7 0.5
assign (resid 18 and name o) (resid 22 and name hn) 2.0 0.7 0.5
assign (resid 18 and name o) (resid 22 and name n) 3.0 0.7 0.5
assign (resid 19 and name o) (resid 23 and name hn) 2.0 0.7 0.5
assign (resid 19 and name o) (resid 23 and name n) 3.0 0.7 0.5
assign (resid 20 and name o) (resid 24 and name n) 3.0 0.7 0.5
assign (resid 20 and name o) (resid 24 and name hn) 2.0 0.7 0.5
assign (resid 21 and name o) (resid 25 and name n) 3.0 0.7 0.5
assign (resid 21 and name o) (resid 25 and name hn) 2.0 0.7 0.5
assign (resid 22 and name o) (resid 26 and name n) 3.0 0.7 0.5
assign (resid 22 and name o) (resid 26 and name hn) 2.0 0.7 0.5

assign (resid 66 and name o) (resid 70 and name hn) 2.0 0.7 0.5
assign (resid 66 and name o) (resid 70 and name n) 3.0 0.7 0.5
assign (resid 67 and name o) (resid 71 and name hn) 2.0 0.7 0.5
assign (resid 67 and name o) (resid 71 and name n) 3.0 0.7 0.5
assign (resid 68 and name o) (resid 72 and name hn) 2.0 0.7 0.5
assign (resid 68 and name o) (resid 72 and name n) 3.0 0.7 0.5
assign (resid 69 and name o) (resid 73 and name hn) 2.0 0.7 0.5
assign (resid 69 and name o) (resid 73 and name n) 3.0 0.7 0.5
assign (resid 70 and name o) (resid 74 and name hn) 2.0 0.7 0.5
assign (resid 70 and name o) (resid 74 and name n) 3.0 0.7 0.5
assign (resid 71 and name o) (resid 75 and name hn) 2.0 0.7 0.5
assign (resid 71 and name o) (resid 75 and name n) 3.0 0.7 0.5
assign (resid 72 and name o) (resid 76 and name hn) 2.0 0.7 0.5
assign (resid 72 and name o) (resid 76 and name n) 3.0 0.7 0.5
assign (resid 73 and name o) (resid 77 and name hn) 2.0 0.7 0.5
assign (resid 73 and name o) (resid 77 and name n) 3.0 0.7 0.5
assign (resid 74 and name o) (resid 78 and name hn) 2.0 0.7 0.5
assign (resid 74 and name o) (resid 78 and name n) 3.0 0.7 0.5
assign (resid 75 and name o) (resid 79 and name hn) 2.0 0.7 0.5
assign (resid 75 and name o) (resid 79 and name n) 3.0 0.7 0.5

assign (resid 117 and name o) (resid 120 and name hn) 2.0 0.7 0.5
assign (resid 117 and name o) (resid 120 and name n) 3.0 0.7 0.5
assign (resid 118 and name o) (resid 121 and name hn) 2.0 0.7 0.5
assign (resid 118 and name o) (resid 121 and name n) 3.0 0.7 0.5

assign (resid 121 and name o) (resid 125 and name hn) 2.0 0.7 0.5
assign (resid 121 and name o) (resid 125 and name n) 3.0 0.7 0.5
assign (resid 122 and name o) (resid 126 and name hn) 2.0 0.7 0.5
assign (resid 122 and name o) (resid 126 and name n) 3.0 0.7 0.5
assign (resid 124 and name o) (resid 128 and name hn) 2.0 0.7 0.5
assign (resid 124 and name o) (resid 128 and name n) 3.0 0.7 0.5
assign (resid 125 and name o) (resid 129 and name hn) 2.0 0.7 0.5
assign (resid 125 and name o) (resid 129 and name n) 3.0 0.7 0.5
assign (resid 126 and name o) (resid 130 and name hn) 2.0 0.7 0.5
assign (resid 126 and name o) (resid 130 and name n) 3.0 0.7 0.5
assign (resid 127 and name o) (resid 131 and name hn) 2.0 0.7 0.5
assign (resid 127 and name o) (resid 131 and name n) 3.0 0.7 0.5

assign (resid 143 and name o) (resid 147 and name hn) 2.0 0.7 0.5
assign (resid 143 and name o) (resid 147 and name n) 3.0 0.7 0.5
assign (resid 144 and name o) (resid 148 and name hn) 2.0 0.7 0.5
assign (resid 144 and name o) (resid 148 and name n) 3.0 0.7 0.5
assign (resid 145 and name o) (resid 149 and name hn) 2.0 0.7 0.5
assign (resid 145 and name o) (resid 149 and name n) 3.0 0.7 0.5
assign (resid 146 and name o) (resid 150 and name hn) 2.0 0.7 0.5
assign (resid 146 and name o) (resid 150 and name n) 3.0 0.7 0.5


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    THR   1          1HT       THR   1   6.658 -15.629  -2.504
    2   2H    THR   1          2HT       THR   1   6.221 -17.250  -2.701
    3   3H    THR   1          3HT       THR   1   7.172 -16.785  -1.382
    4    HA   THR   1           HA       THR   1   4.477 -17.084  -1.374
    5    HB   THR   1           HB       THR   1   6.036 -17.171   0.529
    6    HG1  THR   1           1HG      THR   1   3.871 -15.371   0.793
    7   1HG2  THR   1          1HG2      THR   1   7.463 -15.309   0.222
    8   2HG2  THR   1          2HG2      THR   1   6.565 -15.038   1.716
    9   3HG2  THR   1          3HG2      THR   1   6.105 -14.183   0.243
   10    H    VAL   2           H        VAL   2   2.681 -15.827  -1.483
   11    HA   VAL   2           HA       VAL   2   2.906 -13.311  -2.859
   12    HB   VAL   2           HB       VAL   2   0.455 -14.738  -1.813
   13   1HG1  VAL   2          1HG1      VAL   2   0.631 -12.497  -3.823
   14   2HG1  VAL   2          2HG1      VAL   2   0.144 -12.302  -2.139
   15   3HG1  VAL   2          3HG1      VAL   2  -0.835 -13.281  -3.232
   16   1HG2  VAL   2          1HG2      VAL   2   0.239 -15.781  -3.853
   17   2HG2  VAL   2          2HG2      VAL   2   1.992 -15.776  -3.658
   18   3HG2  VAL   2          3HG2      VAL   2   1.216 -14.578  -4.694
   19    H    ALA   3           H        ALA   3   3.262 -11.457  -1.865
   20    HA   ALA   3           HA       ALA   3   2.168 -11.045   0.842
   21   1HB   ALA   3          1HB       ALA   3   4.197 -10.395   1.468
   22   2HB   ALA   3          2HB       ALA   3   4.157  -9.107   0.265
   23   3HB   ALA   3          3HB       ALA   3   4.804 -10.691  -0.160
   24    H    TYR   4           H        TYR   4   1.667  -8.687   1.320
   25    HA   TYR   4           HA       TYR   4   0.596  -7.387  -1.094
   26   1HB   TYR   4          2HB       TYR   4  -0.720  -7.878   1.546
   27   2HB   TYR   4          1HB       TYR   4  -1.195  -6.489   0.571
   28    HD1  TYR   4           1HD      TYR   4  -0.572 -10.147   0.154
   29    HD2  TYR   4           2HD      TYR   4  -2.924  -6.768  -0.902
   30    HE1  TYR   4           1HE      TYR   4  -2.000 -11.583  -1.235
   31    HE2  TYR   4           2HE      TYR   4  -4.362  -8.193  -2.290
   32    HH   TYR   4           HH       TYR   4  -4.983 -10.657  -2.358
   33    H    ILE   5           H        ILE   5   1.322  -5.455  -1.474
   34    HA   ILE   5           HA       ILE   5   2.154  -3.781   0.788
   35    HB   ILE   5           HB       ILE   5   3.824  -2.714  -0.766
   36   1HG1  ILE   5          2HG1      ILE   5   2.873  -3.706  -2.872
   37   2HG1  ILE   5          1HG1      ILE   5   4.611  -3.897  -2.696
   38   1HG2  ILE   5          1HG2      ILE   5   5.108  -3.858   0.625
   39   2HG2  ILE   5          2HG2      ILE   5   5.179  -5.122  -0.604
   40   3HG2  ILE   5          3HG2      ILE   5   3.971  -5.206   0.678
   41   1HD1  ILE   5          1HD1      ILE   5   4.183  -6.218  -1.875
   42   2HD1  ILE   5          2HD1      ILE   5   3.737  -5.924  -3.556
   43   3HD1  ILE   5          3HD1      ILE   5   2.489  -5.988  -2.312
   44    H    ALA   6           H        ALA   6   0.220  -2.705   0.856
   45    HA   ALA   6           HA       ALA   6  -1.020  -1.568  -1.436
   46   1HB   ALA   6          1HB       ALA   6  -2.506  -0.484   0.137
   47   2HB   ALA   6          2HB       ALA   6  -1.413  -0.861   1.468
   48   3HB   ALA   6          3HB       ALA   6  -2.246  -2.162   0.616
   49    H    ILE   7           H        ILE   7  -0.053  -0.029  -2.584
   50    HA   ILE   7           HA       ILE   7   1.721   1.886  -1.332
   51    HB   ILE   7           HB       ILE   7   2.352   0.917  -3.478
   52   1HG1  ILE   7          2HG1      ILE   7   1.716   3.865  -3.699
   53   2HG1  ILE   7          1HG1      ILE   7   3.134   3.180  -2.912
   54   1HG2  ILE   7          1HG2      ILE   7   0.213   0.513  -4.470
   55   2HG2  ILE   7          2HG2      ILE   7   1.120   1.586  -5.535
   56   3HG2  ILE   7          3HG2      ILE   7  -0.152   2.238  -4.503
   57   1HD1  ILE   7          1HD1      ILE   7   2.494   2.783  -5.820
   58   2HD1  ILE   7          2HD1      ILE   7   3.994   2.393  -4.979
   59   3HD1  ILE   7          3HD1      ILE   7   3.522   4.077  -5.205
   60    H    GLY   8           H        GLY   8   1.377   4.053  -1.087
   61   1HA   GLY   8          2HA       GLY   8  -1.405   4.948  -1.438
   62   2HA   GLY   8          1HA       GLY   8  -0.248   5.632  -0.306
   63    H    SER   9           H        SER   9   1.003   7.318  -0.921
   64    HA   SER   9           HA       SER   9   1.916   8.976  -2.186
   65   1HB   SER   9          2HB       SER   9   0.951   7.389  -4.575
   66   2HB   SER   9          1HB       SER   9   2.022   8.787  -4.640
   67    HG   SER   9           HG       SER   9   2.969   6.556  -4.621
   68    H    ASN  10           H        ASN  10   1.287  10.912  -3.174
   69    HA   ASN  10           HA       ASN  10  -1.383  11.294  -4.148
   70   1HB   ASN  10          2HB       ASN  10  -2.027  12.952  -2.404
   71   2HB   ASN  10          1HB       ASN  10  -1.905  11.309  -1.786
   72   1HD2  ASN  10          1HD2      ASN  10  -0.974  11.173   0.106
   73   2HD2  ASN  10          2HD2      ASN  10   0.255  12.219   0.722
   74    H    LEU  11           H        LEU  11  -1.241  14.182  -3.266
   75    HA   LEU  11           HA       LEU  11  -0.378  16.173  -3.950
   76   1HB   LEU  11          2HB       LEU  11   1.797  15.358  -3.223
   77   2HB   LEU  11          1HB       LEU  11   2.017  14.509  -4.736
   78    HG   LEU  11           HG       LEU  11   3.297  16.685  -4.415
   79   1HD1  LEU  11          1HD1      LEU  11   1.963  15.621  -6.723
   80   2HD1  LEU  11          2HD1      LEU  11   3.557  16.364  -6.587
   81   3HD1  LEU  11          3HD1      LEU  11   2.134  17.372  -6.857
   82   1HD2  LEU  11          1HD2      LEU  11   0.889  18.140  -5.334
   83   2HD2  LEU  11          2HD2      LEU  11   2.272  18.705  -4.399
   84   3HD2  LEU  11          3HD2      LEU  11   1.007  17.759  -3.615
   85    H    ALA  12           H        ALA  12  -0.501  17.422  -5.740
   86    HA   ALA  12           HA       ALA  12  -1.928  17.415  -7.757
   87   1HB   ALA  12          1HB       ALA  12  -0.333  18.395  -9.293
   88   2HB   ALA  12          2HB       ALA  12   1.005  17.713  -8.367
   89   3HB   ALA  12          3HB       ALA  12  -0.028  18.950  -7.647
   90    H    SER  13           H        SER  13   1.091  15.833  -8.758
   91    HA   SER  13           HA       SER  13  -0.537  13.946 -10.327
   92   1HB   SER  13          2HB       SER  13   0.864  15.413 -11.701
   93   2HB   SER  13          1HB       SER  13   2.295  14.902 -10.808
   94    HG   SER  13           HG       SER  13   1.118  13.728 -12.905
   95    HA   PRO  14           HA       PRO  14   1.488  11.290  -7.165
   96   1HB   PRO  14          2HB       PRO  14  -0.901   9.641  -7.386
   97   2HB   PRO  14          1HB       PRO  14  -0.270  10.498  -5.978
   98   1HG   PRO  14          2HG       PRO  14  -2.557  11.228  -7.244
   99   2HG   PRO  14          1HG       PRO  14  -1.504  12.383  -6.405
  100   1HD   PRO  14          2HD       PRO  14  -1.716  11.791  -9.336
  101   2HD   PRO  14          1HD       PRO  14  -1.550  13.357  -8.511
  102    H    LEU  15           H        LEU  15   0.408  10.876 -10.347
  103    HA   LEU  15           HA       LEU  15   0.707   8.149 -10.802
  104   1HB   LEU  15          2HB       LEU  15  -0.203   9.713 -12.451
  105   2HB   LEU  15          1HB       LEU  15   1.379  10.442 -12.648
  106    HG   LEU  15           HG       LEU  15   2.229   8.278 -13.525
  107   1HD1  LEU  15          1HD1      LEU  15  -0.668   7.476 -13.317
  108   2HD1  LEU  15          2HD1      LEU  15   0.704   6.743 -12.485
  109   3HD1  LEU  15          3HD1      LEU  15   0.555   6.596 -14.236
  110   1HD2  LEU  15          1HD2      LEU  15  -0.121   9.528 -14.936
  111   2HD2  LEU  15          2HD2      LEU  15   1.012   8.408 -15.692
  112   3HD2  LEU  15          3HD2      LEU  15   1.580   9.966 -15.093
  113    H    GLU  16           H        GLU  16   3.148  10.715 -10.796
  114    HA   GLU  16           HA       GLU  16   5.300   9.035 -11.587
  115   1HB   GLU  16          2HB       GLU  16   5.335  11.686 -10.134
  116   2HB   GLU  16          1HB       GLU  16   6.736  10.908 -10.860
  117   1HG   GLU  16          2HG       GLU  16   5.704  11.077 -13.059
  118   2HG   GLU  16          1HG       GLU  16   4.287  11.841 -12.339
  119    H    GLN  17           H        GLN  17   4.116  10.180  -8.452
  120    HA   GLN  17           HA       GLN  17   6.140   9.131  -6.838
  121   1HB   GLN  17          2HB       GLN  17   3.201   9.412  -6.178
  122   2HB   GLN  17          1HB       GLN  17   4.504   9.233  -5.012
  123   1HG   GLN  17          2HG       GLN  17   4.130  11.543  -6.902
  124   2HG   GLN  17          1HG       GLN  17   3.764  11.541  -5.177
  125   1HE2  GLN  17          1HE2      GLN  17   5.937  12.544  -7.364
  126   2HE2  GLN  17          2HE2      GLN  17   7.361  12.593  -6.386
  127    H    VAL  18           H        VAL  18   2.990   7.708  -7.668
  128    HA   VAL  18           HA       VAL  18   3.266   5.268  -6.397
  129    HB   VAL  18           HB       VAL  18   1.856   5.847  -9.010
  130   1HG1  VAL  18          1HG1      VAL  18   1.711   3.599  -9.081
  131   2HG1  VAL  18          2HG1      VAL  18   0.439   3.851  -7.885
  132   3HG1  VAL  18          3HG1      VAL  18   2.066   3.415  -7.363
  133   1HG2  VAL  18          1HG2      VAL  18  -0.131   6.147  -7.673
  134   2HG2  VAL  18          2HG2      VAL  18   1.132   7.238  -7.101
  135   3HG2  VAL  18          3HG2      VAL  18   0.762   5.767  -6.201
  136    H    ASN  19           H        ASN  19   4.242   6.180  -9.685
  137    HA   ASN  19           HA       ASN  19   5.147   3.693 -10.546
  138   1HB   ASN  19          2HB       ASN  19   6.060   6.471 -11.294
  139   2HB   ASN  19          1HB       ASN  19   6.593   5.017 -12.129
  140   1HD2  ASN  19          1HD2      ASN  19   3.529   4.385 -11.164
  141   2HD2  ASN  19          2HD2      ASN  19   2.669   4.892 -12.572
  142    H    ALA  20           H        ALA  20   6.650   5.994  -8.396
  143    HA   ALA  20           HA       ALA  20   9.322   5.235  -8.609
  144   1HB   ALA  20          1HB       ALA  20   9.271   5.813  -6.029
  145   2HB   ALA  20          2HB       ALA  20   7.675   6.435  -6.446
  146   3HB   ALA  20          3HB       ALA  20   9.107   7.063  -7.261
  147    H    ALA  21           H        ALA  21   6.779   3.914  -6.501
  148    HA   ALA  21           HA       ALA  21   8.437   1.863  -5.420
  149   1HB   ALA  21          1HB       ALA  21   5.456   2.268  -5.453
  150   2HB   ALA  21          2HB       ALA  21   6.575   2.484  -4.107
  151   3HB   ALA  21          3HB       ALA  21   6.217   0.864  -4.705
  152    H    LEU  22           H        LEU  22   6.012   2.003  -7.998
  153    HA   LEU  22           HA       LEU  22   5.880  -0.659  -8.712
  154   1HB   LEU  22          2HB       LEU  22   5.582   1.898 -10.222
  155   2HB   LEU  22          1HB       LEU  22   5.632   0.397 -11.124
  156    HG   LEU  22           HG       LEU  22   3.332   1.164 -10.666
  157   1HD1  LEU  22          1HD1      LEU  22   3.176  -1.056 -11.018
  158   2HD1  LEU  22          2HD1      LEU  22   2.750  -1.074  -9.306
  159   3HD1  LEU  22          3HD1      LEU  22   4.400  -1.446  -9.808
  160   1HD2  LEU  22          1HD2      LEU  22   2.635   1.821  -8.663
  161   2HD2  LEU  22          2HD2      LEU  22   4.313   1.727  -8.127
  162   3HD2  LEU  22          3HD2      LEU  22   3.233   0.350  -7.899
  163    H    LYS  23           H        LYS  23   8.431   1.649  -9.261
  164    HA   LYS  23           HA       LYS  23   9.821   0.244 -11.281
  165   1HB   LYS  23          2HB       LYS  23  10.331   2.528  -9.527
  166   2HB   LYS  23          1HB       LYS  23  11.778   1.590  -9.878
  167   1HG   LYS  23          2HG       LYS  23  11.383   1.849 -12.264
  168   2HG   LYS  23          1HG       LYS  23   9.910   2.763 -11.928
  169   1HD   LYS  23          2HD       LYS  23  11.144   4.538 -10.935
  170   2HD   LYS  23          1HD       LYS  23  12.633   3.589 -10.943
  171   1HE   LYS  23          2HE       LYS  23  12.601   5.265 -12.733
  172   2HE   LYS  23          1HE       LYS  23  12.670   3.621 -13.367
  173   1HZ   LYS  23          1HZ       LYS  23   9.998   4.203 -13.190
  174   2HZ   LYS  23          2HZ       LYS  23  10.928   4.169 -14.601
  175   3HZ   LYS  23          3HZ       LYS  23  10.695   5.628 -13.778
  176    H    ALA  24           H        ALA  24  10.878   0.645  -7.898
  177    HA   ALA  24           HA       ALA  24  12.649  -1.517  -7.906
  178   1HB   ALA  24          1HB       ALA  24  11.796   0.419  -6.050
  179   2HB   ALA  24          2HB       ALA  24  13.151  -0.700  -5.900
  180   3HB   ALA  24          3HB       ALA  24  11.562  -1.150  -5.280
  181    H    LEU  25           H        LEU  25   9.393  -1.336  -6.487
  182    HA   LEU  25           HA       LEU  25   9.097  -3.978  -5.726
  183   1HB   LEU  25          2HB       LEU  25   7.556  -2.089  -5.188
  184   2HB   LEU  25          1HB       LEU  25   6.935  -2.180  -6.824
  185    HG   LEU  25           HG       LEU  25   6.220  -4.542  -6.326
  186   1HD1  LEU  25          1HD1      LEU  25   7.825  -4.355  -4.155
  187   2HD1  LEU  25          2HD1      LEU  25   6.508  -5.516  -4.325
  188   3HD1  LEU  25          3HD1      LEU  25   6.250  -4.013  -3.440
  189   1HD2  LEU  25          1HD2      LEU  25   4.433  -3.119  -6.319
  190   2HD2  LEU  25          2HD2      LEU  25   5.105  -2.101  -5.045
  191   3HD2  LEU  25          3HD2      LEU  25   4.395  -3.664  -4.642
  192    H    GLY  26           H        GLY  26   9.107  -2.593  -8.880
  193   1HA   GLY  26          2HA       GLY  26   7.618  -4.542 -10.280
  194   2HA   GLY  26          1HA       GLY  26   8.829  -3.476 -10.979
  195    H    ASP  27           H        ASP  27  11.157  -4.206  -9.919
  196    HA   ASP  27           HA       ASP  27  11.347  -7.111 -10.320
  197   1HB   ASP  27          2HB       ASP  27  13.510  -6.692 -11.548
  198   2HB   ASP  27          1HB       ASP  27  12.049  -6.213 -12.404
  199    H    ILE  28           H        ILE  28  11.290  -6.847  -7.919
  200    HA   ILE  28           HA       ILE  28  13.574  -5.791  -6.567
  201    HB   ILE  28           HB       ILE  28  11.411  -7.682  -5.642
  202   1HG1  ILE  28          2HG1      ILE  28  11.758  -4.711  -5.231
  203   2HG1  ILE  28          1HG1      ILE  28  10.633  -5.457  -6.361
  204   1HG2  ILE  28          1HG2      ILE  28  12.100  -7.349  -3.412
  205   2HG2  ILE  28          2HG2      ILE  28  13.231  -6.077  -3.873
  206   3HG2  ILE  28          3HG2      ILE  28  13.561  -7.753  -4.315
  207   1HD1  ILE  28          1HD1      ILE  28   9.298  -6.300  -4.633
  208   2HD1  ILE  28          2HD1      ILE  28   9.695  -4.648  -4.160
  209   3HD1  ILE  28          3HD1      ILE  28  10.542  -6.007  -3.417
  210    HA   PRO  29           HA       PRO  29  16.912  -8.668  -6.871
  211   1HB   PRO  29          2HB       PRO  29  16.253  -9.094  -3.977
  212   2HB   PRO  29          1HB       PRO  29  17.832  -8.909  -4.750
  213   1HG   PRO  29          2HG       PRO  29  16.470  -6.864  -3.516
  214   2HG   PRO  29          1HG       PRO  29  17.690  -6.636  -4.778
  215   1HD   PRO  29          2HD       PRO  29  14.884  -6.061  -4.913
  216   2HD   PRO  29          1HD       PRO  29  16.098  -5.870  -6.194
  217    H    GLU  30           H        GLU  30  14.121  -9.821  -4.923
  218    HA   GLU  30           HA       GLU  30  14.274 -12.333  -6.415
  219   1HB   GLU  30          2HB       GLU  30  14.179 -12.159  -3.404
  220   2HB   GLU  30          1HB       GLU  30  13.936 -13.638  -4.327
  221   1HG   GLU  30          2HG       GLU  30  16.201 -13.385  -5.267
  222   2HG   GLU  30          1HG       GLU  30  16.436 -11.965  -4.249
  223    H    SER  31           H        SER  31  12.398  -9.831  -5.788
  224    HA   SER  31           HA       SER  31   9.957 -11.411  -5.345
  225   1HB   SER  31          2HB       SER  31  10.267  -8.402  -5.265
  226   2HB   SER  31          1HB       SER  31   8.843  -9.325  -4.796
  227    HG   SER  31           HG       SER  31   9.930  -8.891  -2.932
  228    H    HIS  32           H        HIS  32   7.992 -10.400  -6.584
  229    HA   HIS  32           HA       HIS  32   8.529  -9.284  -9.161
  230   1HB   HIS  32          2HB       HIS  32   9.288 -11.555  -9.611
  231   2HB   HIS  32          1HB       HIS  32   7.774 -12.208  -8.993
  232    HD1  HIS  32           1HD      HIS  32   8.709  -9.680 -11.691
  233    HD2  HIS  32           2HD      HIS  32   6.146 -12.880 -11.024
  234    HE1  HIS  32           1HE      HIS  32   7.426  -9.972 -13.834
  235    HE2  HIS  32           2HE      HIS  32   5.865 -11.900 -13.400
  236    H    ILE  33           H        ILE  33   6.805  -8.074  -9.620
  237    HA   ILE  33           HA       ILE  33   4.451  -8.038  -8.153
  238    HB   ILE  33           HB       ILE  33   4.921  -7.045 -10.963
  239   1HG1  ILE  33          2HG1      ILE  33   4.988  -5.678  -8.263
  240   2HG1  ILE  33          1HG1      ILE  33   6.371  -6.010  -9.299
  241   1HG2  ILE  33          1HG2      ILE  33   2.630  -6.504  -9.076
  242   2HG2  ILE  33          2HG2      ILE  33   2.549  -7.320 -10.638
  243   3HG2  ILE  33          3HG2      ILE  33   2.945  -5.603 -10.561
  244   1HD1  ILE  33          1HD1      ILE  33   5.512  -3.646  -9.297
  245   2HD1  ILE  33          2HD1      ILE  33   4.093  -4.254 -10.151
  246   3HD1  ILE  33          3HD1      ILE  33   5.692  -4.403 -10.879
  247    H    LEU  34           H        LEU  34   2.453  -8.913  -8.356
  248    HA   LEU  34           HA       LEU  34   2.087 -10.926 -10.474
  249   1HB   LEU  34          2HB       LEU  34   2.534 -11.683  -8.014
  250   2HB   LEU  34          1HB       LEU  34   0.870 -11.207  -7.749
  251    HG   LEU  34           HG       LEU  34   1.096 -13.619  -8.136
  252   1HD1  LEU  34          1HD1      LEU  34  -0.831 -13.791  -9.299
  253   2HD1  LEU  34          2HD1      LEU  34  -0.275 -12.734 -10.597
  254   3HD1  LEU  34          3HD1      LEU  34  -0.836 -12.042  -9.076
  255   1HD2  LEU  34          1HD2      LEU  34   2.698 -12.698 -10.381
  256   2HD2  LEU  34          2HD2      LEU  34   1.496 -13.904 -10.842
  257   3HD2  LEU  34          3HD2      LEU  34   2.668 -14.267  -9.576
  258    H    THR  35           H        THR  35   0.241  -9.132  -7.990
  259    HA   THR  35           HA       THR  35  -1.757  -8.512 -10.058
  260    HB   THR  35           HB       THR  35  -3.518  -8.712  -8.294
  261    HG1  THR  35           1HG      THR  35  -1.823  -8.641  -6.567
  262   1HG2  THR  35          1HG2      THR  35  -3.259 -11.295  -8.039
  263   2HG2  THR  35          2HG2      THR  35  -1.965 -11.069  -9.216
  264   3HG2  THR  35          3HG2      THR  35  -3.610 -10.573  -9.609
  265    H    VAL  36           H        VAL  36  -2.089  -6.414 -10.290
  266    HA   VAL  36           HA       VAL  36  -2.063  -4.639  -7.998
  267    HB   VAL  36           HB       VAL  36   0.276  -4.575  -8.589
  268   1HG1  VAL  36          1HG1      VAL  36  -0.459  -5.157 -11.116
  269   2HG1  VAL  36          2HG1      VAL  36   1.128  -4.526 -10.672
  270   3HG1  VAL  36          3HG1      VAL  36  -0.119  -3.433 -11.273
  271   1HG2  VAL  36          1HG2      VAL  36   0.425  -2.130  -9.359
  272   2HG2  VAL  36          2HG2      VAL  36  -0.433  -2.477  -7.859
  273   3HG2  VAL  36          3HG2      VAL  36  -1.337  -2.162  -9.340
  274    H    SER  37           H        SER  37  -3.807  -3.424  -8.185
  275    HA   SER  37           HA       SER  37  -4.424  -1.881 -10.473
  276   1HB   SER  37          2HB       SER  37  -5.125  -4.130 -11.307
  277   2HB   SER  37          1HB       SER  37  -6.282  -4.223  -9.981
  278    HG   SER  37           HG       SER  37  -6.970  -3.380 -12.170
  279    H    SER  38           H        SER  38  -7.187  -1.590 -10.121
  280    HA   SER  38           HA       SER  38  -8.757  -0.556  -8.861
  281   1HB   SER  38          2HB       SER  38  -7.240  -1.744  -6.528
  282   2HB   SER  38          1HB       SER  38  -8.836  -1.000  -6.433
  283    HG   SER  38           HG       SER  38  -9.577  -2.624  -7.876
  284    H    PHE  39           H        PHE  39  -7.453   1.306  -9.783
  285    HA   PHE  39           HA       PHE  39  -5.983   2.844  -7.798
  286   1HB   PHE  39          2HB       PHE  39  -6.617   3.348 -10.711
  287   2HB   PHE  39          1HB       PHE  39  -5.773   4.510  -9.694
  288    HD1  PHE  39           1HD      PHE  39  -5.514   0.835 -10.347
  289    HD2  PHE  39           2HD      PHE  39  -3.531   4.588 -10.063
  290    HE1  PHE  39           1HE      PHE  39  -3.375  -0.261 -10.866
  291    HE2  PHE  39           2HE      PHE  39  -1.388   3.499 -10.582
  292    HZ   PHE  39           HZ       PHE  39  -1.307   1.071 -10.984
  293    H    TYR  40           H        TYR  40  -6.895   4.360  -6.554
  294    HA   TYR  40           HA       TYR  40  -9.271   5.752  -7.489
  295   1HB   TYR  40          2HB       TYR  40 -10.449   5.280  -5.321
  296   2HB   TYR  40          1HB       TYR  40 -10.289   3.893  -6.397
  297    HD1  TYR  40           1HD      TYR  40  -9.193   1.955  -5.706
  298    HD2  TYR  40           2HD      TYR  40  -8.861   5.494  -3.377
  299    HE1  TYR  40           1HE      TYR  40  -8.115   0.674  -3.919
  300    HE2  TYR  40           2HE      TYR  40  -7.776   4.217  -1.582
  301    HH   TYR  40           HH       TYR  40  -6.320   1.801  -1.699
  302    H    ARG  41           H        ARG  41 -10.034   7.222  -5.499
  303    HA   ARG  41           HA       ARG  41  -7.611   8.651  -4.646
  304   1HB   ARG  41          2HB       ARG  41  -9.126  10.651  -4.537
  305   2HB   ARG  41          1HB       ARG  41  -8.883   9.993  -6.148
  306   1HG   ARG  41          2HG       ARG  41 -11.055   8.727  -5.795
  307   2HG   ARG  41          1HG       ARG  41 -11.304   9.770  -4.394
  308   1HD   ARG  41          2HD       ARG  41 -10.821  10.756  -7.202
  309   2HD   ARG  41          1HD       ARG  41 -12.413  10.583  -6.466
  310    HE   ARG  41           HE       ARG  41 -10.585  12.719  -6.082
  311   1HH1  ARG  41          1HH1      ARG  41 -13.006  10.812  -4.457
  312   2HH1  ARG  41          2HH1      ARG  41 -13.389  12.049  -3.306
  313   1HH2  ARG  41          1HH2      ARG  41 -11.087  14.350  -4.574
  314   2HH2  ARG  41          2HH2      ARG  41 -12.301  14.058  -3.375
  315    H    THR  42           H        THR  42  -7.521   9.581  -2.593
  316    HA   THR  42           HA       THR  42  -9.538   8.729  -0.643
  317    HB   THR  42           HB       THR  42  -6.554   8.290  -0.406
  318    HG1  THR  42           1HG      THR  42  -8.614   6.375  -0.184
  319   1HG2  THR  42          1HG2      THR  42  -6.703   7.805   1.785
  320   2HG2  THR  42          2HG2      THR  42  -8.375   7.252   1.666
  321   3HG2  THR  42          3HG2      THR  42  -8.017   8.979   1.708
  322    HA   PRO  43           HA       PRO  43  -8.932  12.980   0.556
  323   1HB   PRO  43          2HB       PRO  43 -10.362  12.957   2.861
  324   2HB   PRO  43          1HB       PRO  43 -11.121  12.968   1.265
  325   1HG   PRO  43          2HG       PRO  43 -10.656  10.673   3.127
  326   2HG   PRO  43          1HG       PRO  43 -12.085  11.049   2.147
  327   1HD   PRO  43          2HD       PRO  43 -10.239   9.193   1.419
  328   2HD   PRO  43          1HD       PRO  43 -11.172  10.139   0.242
  329    HA   PRO  44           HA       PRO  44  -5.293  12.663   3.137
  330   1HB   PRO  44          2HB       PRO  44  -5.376  15.318   4.004
  331   2HB   PRO  44          1HB       PRO  44  -4.548  14.728   2.561
  332   1HG   PRO  44          2HG       PRO  44  -7.229  16.011   2.820
  333   2HG   PRO  44          1HG       PRO  44  -6.018  16.186   1.537
  334   1HD   PRO  44          2HD       PRO  44  -8.205  14.691   1.179
  335   2HD   PRO  44          1HD       PRO  44  -6.634  14.191   0.514
  336    H    LEU  45           H        LEU  45  -7.580  14.979   4.564
  337    HA   LEU  45           HA       LEU  45  -8.412  15.196   6.674
  338   1HB   LEU  45          2HB       LEU  45  -8.481  12.182   6.562
  339   2HB   LEU  45          1HB       LEU  45  -9.441  13.205   7.611
  340    HG   LEU  45           HG       LEU  45  -9.653  13.100   4.601
  341   1HD1  LEU  45          1HD1      LEU  45 -12.019  12.258   5.406
  342   2HD1  LEU  45          2HD1      LEU  45 -11.094  11.735   6.812
  343   3HD1  LEU  45          3HD1      LEU  45 -10.665  11.146   5.206
  344   1HD2  LEU  45          1HD2      LEU  45 -11.503  14.575   4.800
  345   2HD2  LEU  45          2HD2      LEU  45 -10.168  15.306   5.689
  346   3HD2  LEU  45          3HD2      LEU  45 -11.465  14.491   6.560
  347    H    GLY  46           H        GLY  46  -6.140  15.889   7.283
  348   1HA   GLY  46          2HA       GLY  46  -5.289  15.570   9.665
  349   2HA   GLY  46          1HA       GLY  46  -4.926  13.937   9.134
  350    HA   PRO  47           HA       PRO  47  -0.843  15.028   7.928
  351   1HB   PRO  47          2HB       PRO  47  -1.408  13.904   5.230
  352   2HB   PRO  47          1HB       PRO  47  -0.109  13.513   6.362
  353   1HG   PRO  47          2HG       PRO  47  -2.163  11.852   6.025
  354   2HG   PRO  47          1HG       PRO  47  -1.453  12.114   7.629
  355   1HD   PRO  47          2HD       PRO  47  -3.998  13.173   6.482
  356   2HD   PRO  47          1HD       PRO  47  -3.638  12.651   8.141
  357    H    GLN  48           H        GLN  48  -3.403  15.721   5.618
  358    HA   GLN  48           HA       GLN  48  -2.192  18.327   5.073
  359   1HB   GLN  48          2HB       GLN  48  -3.203  16.571   2.837
  360   2HB   GLN  48          1HB       GLN  48  -2.328  18.089   2.704
  361   1HG   GLN  48          2HG       GLN  48  -0.305  17.098   3.380
  362   2HG   GLN  48          1HG       GLN  48  -1.119  15.635   3.927
  363   1HE2  GLN  48          1HE2      GLN  48  -2.505  16.691   1.076
  364   2HE2  GLN  48          2HE2      GLN  48  -1.639  15.681  -0.023
  365    H    ASP  49           H        ASP  49  -3.971  18.976   2.991
  366    HA   ASP  49           HA       ASP  49  -6.662  18.560   3.974
  367   1HB   ASP  49          2HB       ASP  49  -7.160  20.990   4.046
  368   2HB   ASP  49          1HB       ASP  49  -5.995  20.505   5.275
  369    H    GLN  50           H        GLN  50  -4.568  18.513   1.597
  370    HA   GLN  50           HA       GLN  50  -6.290  19.658  -0.473
  371   1HB   GLN  50          2HB       GLN  50  -3.485  18.538  -0.647
  372   2HB   GLN  50          1HB       GLN  50  -4.385  19.212  -1.997
  373   1HG   GLN  50          2HG       GLN  50  -2.984  20.934  -1.341
  374   2HG   GLN  50          1HG       GLN  50  -4.530  21.344  -0.605
  375   1HE2  GLN  50          1HE2      GLN  50  -3.100  18.745   0.970
  376   2HE2  GLN  50          2HE2      GLN  50  -2.389  19.610   2.285
  377    HA   PRO  51           HA       PRO  51  -7.723  15.380  -0.818
  378   1HB   PRO  51          2HB       PRO  51  -9.788  16.539  -2.533
  379   2HB   PRO  51          1HB       PRO  51  -9.960  15.675  -1.003
  380   1HG   PRO  51          2HG       PRO  51 -10.432  18.325  -1.230
  381   2HG   PRO  51          1HG       PRO  51  -9.789  17.595   0.252
  382   1HD   PRO  51          2HD       PRO  51  -8.345  19.081  -1.911
  383   2HD   PRO  51          1HD       PRO  51  -8.140  19.175  -0.148
  384    H    ASP  52           H        ASP  52  -7.043  13.960  -2.235
  385    HA   ASP  52           HA       ASP  52  -7.390  14.016  -4.982
  386   1HB   ASP  52          2HB       ASP  52  -4.929  14.307  -5.652
  387   2HB   ASP  52          1HB       ASP  52  -5.838  15.765  -5.272
  388    H    TYR  53           H        TYR  53  -4.221  13.102  -3.852
  389    HA   TYR  53           HA       TYR  53  -3.223  11.103  -3.522
  390   1HB   TYR  53          2HB       TYR  53  -5.959  10.441  -2.448
  391   2HB   TYR  53          1HB       TYR  53  -4.582   9.347  -2.337
  392    HD1  TYR  53           1HD      TYR  53  -5.260  12.964  -1.678
  393    HD2  TYR  53           2HD      TYR  53  -3.508   9.338  -0.323
  394    HE1  TYR  53           1HE      TYR  53  -4.505  14.101   0.363
  395    HE2  TYR  53           2HE      TYR  53  -2.752  10.462   1.724
  396    HH   TYR  53           HH       TYR  53  -3.533  12.545   3.074
  397    H    LEU  54           H        LEU  54  -3.288   8.756  -3.987
  398    HA   LEU  54           HA       LEU  54  -5.007   7.766  -6.036
  399   1HB   LEU  54          2HB       LEU  54  -3.611   9.215  -7.412
  400   2HB   LEU  54          1HB       LEU  54  -2.161   8.492  -6.743
  401    HG   LEU  54           HG       LEU  54  -2.785   6.333  -7.778
  402   1HD1  LEU  54          1HD1      LEU  54  -5.233   6.792  -7.827
  403   2HD1  LEU  54          2HD1      LEU  54  -4.579   6.173  -9.343
  404   3HD1  LEU  54          3HD1      LEU  54  -4.946   7.890  -9.176
  405   1HD2  LEU  54          1HD2      LEU  54  -2.342   7.021 -10.111
  406   2HD2  LEU  54          2HD2      LEU  54  -1.254   7.775  -8.945
  407   3HD2  LEU  54          3HD2      LEU  54  -2.591   8.700  -9.630
  408    H    ASN  55           H        ASN  55  -5.205   6.161  -4.418
  409    HA   ASN  55           HA       ASN  55  -2.834   4.610  -3.750
  410   1HB   ASN  55          2HB       ASN  55  -5.691   4.359  -2.797
  411   2HB   ASN  55          1HB       ASN  55  -4.331   3.421  -2.189
  412   1HD2  ASN  55          1HD2      ASN  55  -3.589   4.123  -0.341
  413   2HD2  ASN  55          2HD2      ASN  55  -3.561   5.764   0.198
  414    H    ALA  56           H        ALA  56  -2.729   2.352  -3.990
  415    HA   ALA  56           HA       ALA  56  -4.618   0.945  -5.643
  416   1HB   ALA  56          1HB       ALA  56  -2.472   0.356  -7.163
  417   2HB   ALA  56          2HB       ALA  56  -2.123   2.040  -6.774
  418   3HB   ALA  56          3HB       ALA  56  -3.639   1.615  -7.568
  419    H    ALA  57           H        ALA  57  -4.611  -1.160  -5.070
  420    HA   ALA  57           HA       ALA  57  -2.717  -2.025  -3.086
  421   1HB   ALA  57          1HB       ALA  57  -4.115  -4.253  -3.557
  422   2HB   ALA  57          2HB       ALA  57  -5.241  -3.062  -4.206
  423   3HB   ALA  57          3HB       ALA  57  -4.700  -2.943  -2.531
  424    H    VAL  58           H        VAL  58  -1.197  -3.611  -3.227
  425    HA   VAL  58           HA       VAL  58  -0.684  -4.786  -5.868
  426    HB   VAL  58           HB       VAL  58   1.490  -3.646  -4.110
  427   1HG1  VAL  58          1HG1      VAL  58   2.143  -4.075  -6.886
  428   2HG1  VAL  58          2HG1      VAL  58   1.579  -5.563  -6.127
  429   3HG1  VAL  58          3HG1      VAL  58   2.941  -4.682  -5.436
  430   1HG2  VAL  58          1HG2      VAL  58   1.024  -1.645  -4.955
  431   2HG2  VAL  58          2HG2      VAL  58  -0.254  -2.321  -5.966
  432   3HG2  VAL  58          3HG2      VAL  58   1.407  -2.276  -6.556
  433    H    ALA  59           H        ALA  59   0.190  -6.832  -5.841
  434    HA   ALA  59           HA       ALA  59   0.921  -8.039  -3.289
  435   1HB   ALA  59          1HB       ALA  59  -1.217  -9.233  -5.051
  436   2HB   ALA  59          2HB       ALA  59  -1.508  -8.411  -3.518
  437   3HB   ALA  59          3HB       ALA  59  -0.588  -9.915  -3.552
  438    H    LEU  60           H        LEU  60   2.998  -8.413  -3.950
  439    HA   LEU  60           HA       LEU  60   3.326 -10.043  -6.379
  440   1HB   LEU  60          2HB       LEU  60   5.255  -8.961  -6.886
  441   2HB   LEU  60          1HB       LEU  60   4.426  -7.671  -6.042
  442    HG   LEU  60           HG       LEU  60   6.525  -9.469  -4.824
  443   1HD1  LEU  60          1HD1      LEU  60   6.649  -6.917  -6.291
  444   2HD1  LEU  60          2HD1      LEU  60   7.866  -8.178  -6.093
  445   3HD1  LEU  60          3HD1      LEU  60   7.593  -7.006  -4.804
  446   1HD2  LEU  60          1HD2      LEU  60   5.685  -6.891  -3.620
  447   2HD2  LEU  60          2HD2      LEU  60   6.278  -8.362  -2.850
  448   3HD2  LEU  60          3HD2      LEU  60   4.614  -8.278  -3.426
  449    H    GLU  61           H        GLU  61   5.075 -11.610  -6.367
  450    HA   GLU  61           HA       GLU  61   5.090 -13.120  -3.897
  451   1HB   GLU  61          2HB       GLU  61   6.399 -13.734  -6.553
  452   2HB   GLU  61          1HB       GLU  61   6.196 -14.855  -5.214
  453   1HG   GLU  61          2HG       GLU  61   3.775 -14.726  -5.465
  454   2HG   GLU  61          1HG       GLU  61   3.974 -13.592  -6.802
  455    H    THR  62           H        THR  62   6.379 -11.936  -2.493
  456    HA   THR  62           HA       THR  62   9.108 -11.322  -3.323
  457    HB   THR  62           HB       THR  62   7.918  -9.543  -2.197
  458    HG1  THR  62           1HG      THR  62   9.677  -9.048  -1.199
  459   1HG2  THR  62          1HG2      THR  62   6.652  -9.733  -0.384
  460   2HG2  THR  62          2HG2      THR  62   7.849 -10.718   0.457
  461   3HG2  THR  62          3HG2      THR  62   6.720 -11.473  -0.668
  462    H    SER  63           H        SER  63  10.893 -12.277  -2.530
  463    HA   SER  63           HA       SER  63  10.509 -14.682  -0.912
  464   1HB   SER  63          2HB       SER  63  12.931 -13.694  -2.443
  465   2HB   SER  63          1HB       SER  63  12.835 -15.226  -1.575
  466    HG   SER  63           HG       SER  63  12.271 -14.964  -4.017
  467    H    LEU  64           H        LEU  64  11.492 -11.467  -0.675
  468    HA   LEU  64           HA       LEU  64  12.925 -11.971   1.836
  469   1HB   LEU  64          2HB       LEU  64  13.643  -9.515   1.482
  470   2HB   LEU  64          1HB       LEU  64  14.400 -10.773   0.527
  471    HG   LEU  64           HG       LEU  64  12.596 -10.167  -1.251
  472   1HD1  LEU  64          1HD1      LEU  64  12.711  -7.397  -0.409
  473   2HD1  LEU  64          2HD1      LEU  64  11.811  -8.408   0.721
  474   3HD1  LEU  64          3HD1      LEU  64  11.343  -8.355  -0.978
  475   1HD2  LEU  64          1HD2      LEU  64  14.913  -9.852  -1.675
  476   2HD2  LEU  64          2HD2      LEU  64  14.986  -8.463  -0.589
  477   3HD2  LEU  64          3HD2      LEU  64  14.092  -8.352  -2.105
  478    H    ALA  65           H        ALA  65  12.012 -11.417   3.684
  479    HA   ALA  65           HA       ALA  65   9.382 -10.748   4.003
  480   1HB   ALA  65          1HB       ALA  65  11.644 -11.053   5.691
  481   2HB   ALA  65          2HB       ALA  65   9.933 -11.160   6.109
  482   3HB   ALA  65          3HB       ALA  65  10.769  -9.609   6.198
  483    HA   PRO  66           HA       PRO  66   8.488  -6.529   3.107
  484   1HB   PRO  66          2HB       PRO  66   7.617  -6.347   5.962
  485   2HB   PRO  66          1HB       PRO  66   6.782  -5.816   4.495
  486   1HG   PRO  66          2HG       PRO  66   6.058  -8.061   5.695
  487   2HG   PRO  66          1HG       PRO  66   6.130  -7.972   3.927
  488   1HD   PRO  66          2HD       PRO  66   7.989  -9.301   5.837
  489   2HD   PRO  66          1HD       PRO  66   7.533  -9.773   4.188
  490    H    GLU  67           H        GLU  67  10.465  -7.394   5.821
  491    HA   GLU  67           HA       GLU  67  11.302  -4.868   6.680
  492   1HB   GLU  67          2HB       GLU  67  12.904  -7.433   6.545
  493   2HB   GLU  67          1HB       GLU  67  13.312  -6.022   7.512
  494   1HG   GLU  67          2HG       GLU  67  11.329  -6.316   8.854
  495   2HG   GLU  67          1HG       GLU  67  10.808  -7.658   7.836
  496    H    GLU  68           H        GLU  68  12.754  -7.064   4.291
  497    HA   GLU  68           HA       GLU  68  14.592  -5.067   3.318
  498   1HB   GLU  68          2HB       GLU  68  13.840  -7.749   2.129
  499   2HB   GLU  68          1HB       GLU  68  15.228  -6.770   1.679
  500   1HG   GLU  68          2HG       GLU  68  14.795  -7.954   4.408
  501   2HG   GLU  68          1HG       GLU  68  15.768  -8.691   3.137
  502    H    LEU  69           H        LEU  69  11.587  -6.561   2.310
  503    HA   LEU  69           HA       LEU  69  11.257  -5.645  -0.255
  504   1HB   LEU  69          2HB       LEU  69   9.735  -7.193   0.802
  505   2HB   LEU  69          1HB       LEU  69   9.233  -5.973   1.954
  506    HG   LEU  69           HG       LEU  69   8.202  -4.686   0.108
  507   1HD1  LEU  69          1HD1      LEU  69   8.840  -7.110  -1.563
  508   2HD1  LEU  69          2HD1      LEU  69   9.644  -5.546  -1.699
  509   3HD1  LEU  69          3HD1      LEU  69   7.926  -5.690  -2.069
  510   1HD2  LEU  69          1HD2      LEU  69   6.570  -6.773  -0.450
  511   2HD2  LEU  69          2HD2      LEU  69   6.515  -5.839   1.046
  512   3HD2  LEU  69          3HD2      LEU  69   7.393  -7.368   0.993
  513    H    LEU  70           H        LEU  70   9.917  -4.040   2.630
  514    HA   LEU  70           HA       LEU  70   9.085  -1.716   1.378
  515   1HB   LEU  70          2HB       LEU  70   9.817  -2.373   4.199
  516   2HB   LEU  70          1HB       LEU  70   9.513  -0.703   3.760
  517    HG   LEU  70           HG       LEU  70   7.255  -1.326   2.983
  518   1HD1  LEU  70          1HD1      LEU  70   6.342  -3.477   3.281
  519   2HD1  LEU  70          2HD1      LEU  70   7.743  -4.029   4.199
  520   3HD1  LEU  70          3HD1      LEU  70   7.889  -3.714   2.470
  521   1HD2  LEU  70          1HD2      LEU  70   7.363  -2.446   5.719
  522   2HD2  LEU  70          2HD2      LEU  70   6.350  -1.165   5.052
  523   3HD2  LEU  70          3HD2      LEU  70   8.028  -0.829   5.483
  524    H    ASN  71           H        ASN  71  12.263  -2.462   2.803
  525    HA   ASN  71           HA       ASN  71  13.424   0.030   2.721
  526   1HB   ASN  71          2HB       ASN  71  14.600  -2.691   2.209
  527   2HB   ASN  71          1HB       ASN  71  15.594  -1.239   2.121
  528   1HD2  ASN  71          1HD2      ASN  71  15.131  -3.671   4.026
  529   2HD2  ASN  71          2HD2      ASN  71  15.204  -2.933   5.587
  530    H    HIS  72           H        HIS  72  13.328  -2.325   0.050
  531    HA   HIS  72           HA       HIS  72  14.607  -0.661  -1.830
  532   1HB   HIS  72          2HB       HIS  72  12.725  -2.989  -2.234
  533   2HB   HIS  72          1HB       HIS  72  13.654  -2.228  -3.522
  534    HD1  HIS  72           1HD      HIS  72  16.403  -2.130  -2.747
  535    HD2  HIS  72           2HD      HIS  72  13.976  -5.203  -1.355
  536    HE1  HIS  72           1HE      HIS  72  17.974  -3.974  -2.074
  537    HE2  HIS  72           2HE      HIS  72  16.477  -5.862  -1.337
  538    H    THR  73           H        THR  73  11.160  -1.263  -1.203
  539    HA   THR  73           HA       THR  73  10.138   0.260  -3.305
  540    HB   THR  73           HB       THR  73   8.049   0.342  -2.020
  541    HG1  THR  73           1HG      THR  73   8.343  -0.937   0.096
  542   1HG2  THR  73          1HG2      THR  73   7.558  -1.889  -2.053
  543   2HG2  THR  73          2HG2      THR  73   9.128  -2.358  -1.401
  544   3HG2  THR  73          3HG2      THR  73   8.989  -1.844  -3.082
  545    H    GLN  74           H        GLN  74  10.468   1.259   0.113
  546    HA   GLN  74           HA       GLN  74   9.889   3.975  -0.461
  547   1HB   GLN  74          2HB       GLN  74  10.521   4.429   1.841
  548   2HB   GLN  74          1HB       GLN  74   9.507   2.997   1.761
  549   1HG   GLN  74          2HG       GLN  74  11.529   1.599   1.925
  550   2HG   GLN  74          1HG       GLN  74  12.495   3.062   2.099
  551   1HE2  GLN  74          1HE2      GLN  74  13.018   3.488   4.105
  552   2HE2  GLN  74          2HE2      GLN  74  12.072   3.142   5.509
  553    H    ARG  75           H        ARG  75  12.682   2.083  -0.876
  554    HA   ARG  75           HA       ARG  75  14.727   3.967  -0.440
  555   1HB   ARG  75          2HB       ARG  75  15.193   1.589  -0.855
  556   2HB   ARG  75          1HB       ARG  75  14.595   1.752  -2.499
  557   1HG   ARG  75          2HG       ARG  75  16.406   3.328  -2.988
  558   2HG   ARG  75          1HG       ARG  75  17.014   3.121  -1.345
  559   1HD   ARG  75          2HD       ARG  75  17.359   0.741  -1.772
  560   2HD   ARG  75          1HD       ARG  75  16.740   0.943  -3.411
  561    HE   ARG  75           HE       ARG  75  18.869   2.722  -3.030
  562   1HH1  ARG  75          1HH1      ARG  75  18.263  -0.698  -3.292
  563   2HH1  ARG  75          2HH1      ARG  75  19.831  -1.055  -3.936
  564   1HH2  ARG  75          1HH2      ARG  75  20.928   2.264  -3.881
  565   2HH2  ARG  75          2HH2      ARG  75  21.346   0.630  -4.271
  566    H    ILE  76           H        ILE  76  12.845   3.157  -3.325
  567    HA   ILE  76           HA       ILE  76  13.961   5.140  -5.008
  568    HB   ILE  76           HB       ILE  76  11.184   3.945  -5.159
  569   1HG1  ILE  76          2HG1      ILE  76  12.867   2.168  -5.078
  570   2HG1  ILE  76          1HG1      ILE  76  12.156   2.275  -6.684
  571   1HG2  ILE  76          1HG2      ILE  76  12.873   5.519  -7.048
  572   2HG2  ILE  76          2HG2      ILE  76  11.160   5.685  -6.664
  573   3HG2  ILE  76          3HG2      ILE  76  11.712   4.350  -7.675
  574   1HD1  ILE  76          1HD1      ILE  76  14.128   3.479  -7.472
  575   2HD1  ILE  76          2HD1      ILE  76  14.548   1.903  -6.801
  576   3HD1  ILE  76          3HD1      ILE  76  14.837   3.368  -5.862
  577    H    GLU  77           H        GLU  77  11.175   4.989  -2.872
  578    HA   GLU  77           HA       GLU  77  10.103   7.537  -3.398
  579   1HB   GLU  77          2HB       GLU  77   8.697   6.008  -2.301
  580   2HB   GLU  77          1HB       GLU  77   9.920   5.589  -1.115
  581   1HG   GLU  77          2HG       GLU  77   8.801   8.352  -1.168
  582   2HG   GLU  77          1HG       GLU  77   7.873   7.038  -0.447
  583    H    LEU  78           H        LEU  78  12.934   6.558  -1.806
  584    HA   LEU  78           HA       LEU  78  13.143   8.999  -0.218
  585   1HB   LEU  78          2HB       LEU  78  13.752   6.802   0.767
  586   2HB   LEU  78          1HB       LEU  78  15.038   6.657  -0.415
  587    HG   LEU  78           HG       LEU  78  16.103   8.686   0.538
  588   1HD1  LEU  78          1HD1      LEU  78  13.680   9.229   1.620
  589   2HD1  LEU  78          2HD1      LEU  78  15.200   9.937   2.165
  590   3HD1  LEU  78          3HD1      LEU  78  14.525   8.543   3.007
  591   1HD2  LEU  78          1HD2      LEU  78  16.004   7.203   2.974
  592   2HD2  LEU  78          2HD2      LEU  78  17.284   7.265   1.762
  593   3HD2  LEU  78          3HD2      LEU  78  15.981   6.084   1.612
  594    H    GLN  79           H        GLN  79  13.822   8.060  -3.329
  595    HA   GLN  79           HA       GLN  79  15.556  10.336  -3.703
  596   1HB   GLN  79          2HB       GLN  79  17.295   9.087  -4.920
  597   2HB   GLN  79          1HB       GLN  79  17.218   8.663  -3.217
  598   1HG   GLN  79          2HG       GLN  79  16.004   6.629  -3.771
  599   2HG   GLN  79          1HG       GLN  79  16.061   7.055  -5.482
  600   1HE2  GLN  79          1HE2      GLN  79  17.448   5.184  -3.214
  601   2HE2  GLN  79          2HE2      GLN  79  19.021   4.987  -3.901
  602    H    GLN  80           H        GLN  80  12.882   9.594  -4.527
  603    HA   GLN  80           HA       GLN  80  13.244   9.975  -7.404
  604   1HB   GLN  80          2HB       GLN  80  12.764   7.627  -7.273
  605   2HB   GLN  80          1HB       GLN  80  11.424   7.908  -6.170
  606   1HG   GLN  80          2HG       GLN  80  10.668   7.386  -8.432
  607   2HG   GLN  80          1HG       GLN  80  10.162   8.994  -7.919
  608   1HE2  GLN  80          1HE2      GLN  80  11.380   7.272 -10.420
  609   2HE2  GLN  80          2HE2      GLN  80  12.140   8.540 -11.313
  610    H    GLY  81           H        GLY  81  10.334   9.411  -5.436
  611   1HA   GLY  81          2HA       GLY  81   8.865  11.509  -6.567
  612   2HA   GLY  81          1HA       GLY  81   8.518  10.761  -5.011
  613    H    ARG  82           H        ARG  82  10.318  13.292  -6.640
  614    HA   ARG  82           HA       ARG  82  11.147  15.275  -5.934
  615   1HB   ARG  82          2HB       ARG  82   9.044  15.924  -5.117
  616   2HB   ARG  82          1HB       ARG  82   9.060  14.719  -3.841
  617   1HG   ARG  82          2HG       ARG  82   9.322  17.158  -3.174
  618   2HG   ARG  82          1HG       ARG  82  10.452  15.997  -2.482
  619   1HD   ARG  82          2HD       ARG  82  12.097  16.636  -4.218
  620   2HD   ARG  82          1HD       ARG  82  10.966  17.857  -4.798
  621    HE   ARG  82           HE       ARG  82  11.892  19.192  -3.219
  622   1HH1  ARG  82          1HH1      ARG  82  11.719  15.966  -1.857
  623   2HH1  ARG  82          2HH1      ARG  82  12.416  16.445  -0.347
  624   1HH2  ARG  82          1HH2      ARG  82  12.817  19.787  -1.242
  625   2HH2  ARG  82          2HH2      ARG  82  13.040  18.599  -0.002
  626    H    VAL  83           H        VAL  83  10.691  14.132  -2.672
  627    HA   VAL  83           HA       VAL  83  12.203  14.004  -0.970
  628    HB   VAL  83           HB       VAL  83  11.872  11.726  -1.952
  629   1HG1  VAL  83          1HG1      VAL  83  13.882  12.632  -3.704
  630   2HG1  VAL  83          2HG1      VAL  83  13.088  11.059  -3.671
  631   3HG1  VAL  83          3HG1      VAL  83  14.572  11.316  -2.753
  632   1HG2  VAL  83          1HG2      VAL  83  14.516  11.508  -0.770
  633   2HG2  VAL  83          2HG2      VAL  83  12.955  10.958  -0.162
  634   3HG2  VAL  83          3HG2      VAL  83  13.471  12.623   0.108
  635    H    ARG  84           H        ARG  84  13.102  15.986  -3.024
  636    HA   ARG  84           HA       ARG  84  15.881  15.761  -3.390
  637   1HB   ARG  84          2HB       ARG  84  14.443  17.504  -4.475
  638   2HB   ARG  84          1HB       ARG  84  14.307  18.306  -2.915
  639   1HG   ARG  84          2HG       ARG  84  15.969  19.442  -4.175
  640   2HG   ARG  84          1HG       ARG  84  16.790  18.539  -2.901
  641   1HD   ARG  84          2HD       ARG  84  16.491  17.643  -5.767
  642   2HD   ARG  84          1HD       ARG  84  17.938  18.373  -5.076
  643    HE   ARG  84           HE       ARG  84  17.179  15.658  -4.907
  644   1HH1  ARG  84          1HH1      ARG  84  18.653  18.204  -3.040
  645   2HH1  ARG  84          2HH1      ARG  84  19.519  17.116  -2.007
  646   1HH2  ARG  84          1HH2      ARG  84  18.305  14.225  -3.548
  647   2HH2  ARG  84          2HH2      ARG  84  19.328  14.858  -2.301
  648    H    LYS  85           H        LYS  85  13.901  16.079  -0.754
  649    HA   LYS  85           HA       LYS  85  15.918  15.832   1.138
  650   1HB   LYS  85          2HB       LYS  85  16.107  18.307   0.510
  651   2HB   LYS  85          1HB       LYS  85  14.543  18.508   1.289
  652   1HG   LYS  85          2HG       LYS  85  16.001  19.063   2.974
  653   2HG   LYS  85          1HG       LYS  85  15.677  17.364   3.313
  654   1HD   LYS  85          2HD       LYS  85  18.080  18.423   1.822
  655   2HD   LYS  85          1HD       LYS  85  18.068  17.937   3.514
  656   1HE   LYS  85          2HE       LYS  85  17.644  16.194   1.094
  657   2HE   LYS  85          1HE       LYS  85  18.987  16.141   2.236
  658   1HZ   LYS  85          1HZ       LYS  85  16.156  15.516   2.889
  659   2HZ   LYS  85          2HZ       LYS  85  17.466  15.426   3.957
  660   3HZ   LYS  85          3HZ       LYS  85  17.378  14.372   2.637
  661    H    ALA  86           H        ALA  86  14.154  14.145   1.044
  662    HA   ALA  86           HA       ALA  86  12.417  13.072   2.037
  663   1HB   ALA  86          1HB       ALA  86  12.285  15.232   4.107
  664   2HB   ALA  86          2HB       ALA  86  13.637  14.103   4.061
  665   3HB   ALA  86          3HB       ALA  86  11.994  13.502   4.283
  666    H    GLU  87           H        GLU  87  11.543  14.218  -0.037
  667    HA   GLU  87           HA       GLU  87   9.884  15.251  -1.185
  668   1HB   GLU  87          2HB       GLU  87   7.661  14.714  -0.448
  669   2HB   GLU  87          1HB       GLU  87   8.718  13.354  -0.100
  670   1HG   GLU  87          2HG       GLU  87   8.890  14.150   2.234
  671   2HG   GLU  87          1HG       GLU  87   7.711  15.402   1.853
  672    H    ARG  88           H        ARG  88  11.147  16.761   1.329
  673    HA   ARG  88           HA       ARG  88  11.085  18.865   2.129
  674   1HB   ARG  88          2HB       ARG  88  10.889  19.420  -0.290
  675   2HB   ARG  88          1HB       ARG  88   9.142  19.428  -0.109
  676   1HG   ARG  88          2HG       ARG  88   9.852  21.677  -0.027
  677   2HG   ARG  88          1HG       ARG  88   9.426  21.221   1.622
  678   1HD   ARG  88          2HD       ARG  88  12.213  21.344   0.473
  679   2HD   ARG  88          1HD       ARG  88  11.493  22.523   1.564
  680    HE   ARG  88           HE       ARG  88  12.784  20.146   2.309
  681   1HH1  ARG  88          1HH1      ARG  88   9.937  21.999   3.096
  682   2HH1  ARG  88          2HH1      ARG  88   9.855  21.416   4.724
  683   1HH2  ARG  88          1HH2      ARG  88  12.670  19.368   4.444
  684   2HH2  ARG  88          2HH2      ARG  88  11.404  19.922   5.488
  685    H    TRP  89           H        TRP  89   7.721  18.787   0.935
  686    HA   TRP  89           HA       TRP  89   6.888  19.260   3.709
  687   1HB   TRP  89          2HB       TRP  89   5.566  20.057   1.123
  688   2HB   TRP  89          1HB       TRP  89   4.879  20.331   2.724
  689    HD1  TRP  89           HD       TRP  89   6.828  22.077   0.209
  690    HE1  TRP  89           1HE      TRP  89   8.089  24.078   1.221
  691    HE3  TRP  89           3HE      TRP  89   6.362  20.906   5.156
  692    HZ2  TRP  89           2HZ      TRP  89   8.796  25.032   3.782
  693    HZ3  TRP  89           3HZ      TRP  89   7.363  22.410   6.824
  694    HH2  TRP  89           HH       TRP  89   8.555  24.430   6.149
  695    H    GLY  90           H        GLY  90   4.192  18.947   3.448
  696   1HA   GLY  90          2HA       GLY  90   3.780  16.328   4.175
  697   2HA   GLY  90          1HA       GLY  90   2.515  17.427   3.673
  698    HA   PRO  91           HA       PRO  91   1.366  15.212   0.065
  699   1HB   PRO  91          2HB       PRO  91   2.637  17.284  -1.672
  700   2HB   PRO  91          1HB       PRO  91   1.024  16.567  -1.770
  701   1HG   PRO  91          2HG       PRO  91   1.355  19.000  -0.757
  702   2HG   PRO  91          1HG       PRO  91   0.195  17.870  -0.039
  703   1HD   PRO  91          2HD       PRO  91   2.865  18.732   0.952
  704   2HD   PRO  91          1HD       PRO  91   1.415  18.268   1.865
  705    H    ARG  92           H        ARG  92   2.237  14.495  -2.226
  706    HA   ARG  92           HA       ARG  92   3.742  13.309  -3.449
  707   1HB   ARG  92          2HB       ARG  92   5.639  14.980  -1.837
  708   2HB   ARG  92          1HB       ARG  92   6.217  13.776  -2.976
  709   1HG   ARG  92          2HG       ARG  92   5.618  14.988  -4.778
  710   2HG   ARG  92          1HG       ARG  92   4.223  15.701  -3.972
  711   1HD   ARG  92          2HD       ARG  92   7.052  16.427  -3.263
  712   2HD   ARG  92          1HD       ARG  92   6.145  17.264  -4.523
  713    HE   ARG  92           HE       ARG  92   4.885  18.297  -2.905
  714   1HH1  ARG  92          1HH1      ARG  92   6.854  15.830  -1.435
  715   2HH1  ARG  92          2HH1      ARG  92   6.394  16.251   0.180
  716   1HH2  ARG  92          1HH2      ARG  92   4.283  18.853  -0.786
  717   2HH2  ARG  92          2HH2      ARG  92   4.937  17.965   0.549
  718    H    THR  93           H        THR  93   6.233  12.304  -2.730
  719    HA   THR  93           HA       THR  93   7.199  10.447  -1.932
  720    HB   THR  93           HB       THR  93   6.908  11.942   0.190
  721    HG1  THR  93           1HG      THR  93   8.419  10.623   0.739
  722   1HG2  THR  93          1HG2      THR  93   5.081   9.641   0.846
  723   2HG2  THR  93          2HG2      THR  93   4.664  11.355   0.828
  724   3HG2  THR  93          3HG2      THR  93   5.797  10.735   2.029
  725    H    LEU  94           H        LEU  94   6.774   8.324  -0.733
  726    HA   LEU  94           HA       LEU  94   4.158   7.277  -1.578
  727   1HB   LEU  94          2HB       LEU  94   6.873   5.965  -1.660
  728   2HB   LEU  94          1HB       LEU  94   5.374   5.081  -1.853
  729    HG   LEU  94           HG       LEU  94   4.883   6.524  -3.854
  730   1HD1  LEU  94          1HD1      LEU  94   7.009   7.509  -4.879
  731   2HD1  LEU  94          2HD1      LEU  94   7.658   7.473  -3.239
  732   3HD1  LEU  94          3HD1      LEU  94   6.213   8.422  -3.596
  733   1HD2  LEU  94          1HD2      LEU  94   7.459   5.134  -4.347
  734   2HD2  LEU  94          2HD2      LEU  94   5.937   5.052  -5.236
  735   3HD2  LEU  94          3HD2      LEU  94   6.111   4.197  -3.703
  736    H    ASP  95           H        ASP  95   3.438   5.395  -0.355
  737    HA   ASP  95           HA       ASP  95   4.666   4.912   2.211
  738   1HB   ASP  95          2HB       ASP  95   3.294   6.932   2.629
  739   2HB   ASP  95          1HB       ASP  95   1.870   6.061   2.065
  740    H    LEU  96           H        LEU  96   4.850   2.822   1.333
  741    HA   LEU  96           HA       LEU  96   2.294   1.390   1.144
  742   1HB   LEU  96          2HB       LEU  96   3.298  -0.167  -0.389
  743   2HB   LEU  96          1HB       LEU  96   3.483   1.465  -0.993
  744    HG   LEU  96           HG       LEU  96   5.674  -0.094   0.384
  745   1HD1  LEU  96          1HD1      LEU  96   5.996  -1.163  -1.528
  746   2HD1  LEU  96          2HD1      LEU  96   6.228   0.384  -2.343
  747   3HD1  LEU  96          3HD1      LEU  96   4.618  -0.330  -2.249
  748   1HD2  LEU  96          1HD2      LEU  96   6.935   1.741   0.265
  749   2HD2  LEU  96          2HD2      LEU  96   5.445   2.632  -0.042
  750   3HD2  LEU  96          3HD2      LEU  96   6.430   2.073  -1.392
  751    H    ASP  97           H        ASP  97   1.887   0.002   2.661
  752    HA   ASP  97           HA       ASP  97   4.118  -1.109   4.229
  753   1HB   ASP  97          2HB       ASP  97   1.232  -0.692   5.047
  754   2HB   ASP  97          1HB       ASP  97   2.496  -1.382   6.063
  755    H    ILE  98           H        ILE  98   3.569  -3.290   5.217
  756    HA   ILE  98           HA       ILE  98   2.495  -4.968   3.081
  757    HB   ILE  98           HB       ILE  98   4.751  -5.478   3.943
  758   1HG1  ILE  98          2HG1      ILE  98   4.243  -7.943   4.501
  759   2HG1  ILE  98          1HG1      ILE  98   2.552  -7.503   4.276
  760   1HG2  ILE  98          1HG2      ILE  98   5.256  -5.863   6.102
  761   2HG2  ILE  98          2HG2      ILE  98   3.715  -6.656   6.434
  762   3HG2  ILE  98          3HG2      ILE  98   3.810  -4.895   6.387
  763   1HD1  ILE  98          1HD1      ILE  98   2.844  -7.958   2.131
  764   2HD1  ILE  98          2HD1      ILE  98   4.595  -8.051   2.317
  765   3HD1  ILE  98          3HD1      ILE  98   3.819  -6.492   2.035
  766    H    MET  99           H        MET  99   0.566  -5.892   3.229
  767    HA   MET  99           HA       MET  99  -0.911  -5.702   5.724
  768   1HB   MET  99          2HB       MET  99  -1.652  -6.281   2.877
  769   2HB   MET  99          1HB       MET  99  -2.751  -6.727   4.174
  770   1HG   MET  99          2HG       MET  99  -3.246  -4.537   3.145
  771   2HG   MET  99          1HG       MET  99  -2.951  -4.457   4.878
  772   1HE   MET  99          1HE       MET  99  -2.531  -1.846   4.892
  773   2HE   MET  99          2HE       MET  99  -3.008  -1.879   3.194
  774   3HE   MET  99          3HE       MET  99  -1.540  -1.031   3.681
  775    H    LEU 100           H        LEU 100  -0.040  -8.205   3.345
  776    HA   LEU 100           HA       LEU 100  -0.197 -10.181   5.522
  777   1HB   LEU 100          2HB       LEU 100  -0.972 -10.739   2.667
  778   2HB   LEU 100          1HB       LEU 100  -1.135 -11.812   4.042
  779    HG   LEU 100           HG       LEU 100  -2.728  -9.314   3.489
  780   1HD1  LEU 100          1HD1      LEU 100  -3.487 -12.220   3.694
  781   2HD1  LEU 100          2HD1      LEU 100  -3.381 -11.272   2.211
  782   3HD1  LEU 100          3HD1      LEU 100  -4.599 -10.878   3.424
  783   1HD2  LEU 100          1HD2      LEU 100  -2.652  -9.187   5.771
  784   2HD2  LEU 100          2HD2      LEU 100  -2.394 -10.920   5.971
  785   3HD2  LEU 100          3HD2      LEU 100  -3.999 -10.307   5.570
  786    H    PHE 101           H        PHE 101   0.944 -12.256   4.887
  787    HA   PHE 101           HA       PHE 101   3.137 -11.933   3.017
  788   1HB   PHE 101          2HB       PHE 101   3.973 -10.943   5.144
  789   2HB   PHE 101          1HB       PHE 101   3.678 -12.482   5.944
  790    HD1  PHE 101           1HD      PHE 101   5.616 -13.612   6.391
  791    HD2  PHE 101           2HD      PHE 101   5.300 -11.448   2.740
  792    HE1  PHE 101           1HE      PHE 101   7.866 -14.371   5.751
  793    HE2  PHE 101           2HE      PHE 101   7.551 -12.205   2.093
  794    HZ   PHE 101           HZ       PHE 101   8.836 -13.669   3.599
  795    H    GLY 102           H        GLY 102   1.614 -13.619   2.167
  796   1HA   GLY 102          2HA       GLY 102   1.568 -15.850   1.515
  797   2HA   GLY 102          1HA       GLY 102   2.672 -16.229   2.828
  798    H    ASN 103           H        ASN 103   0.081 -14.396   3.914
  799    HA   ASN 103           HA       ASN 103  -1.845 -14.815   5.038
  800   1HB   ASN 103          2HB       ASN 103  -1.666 -17.528   3.729
  801   2HB   ASN 103          1HB       ASN 103  -3.014 -17.006   4.733
  802   1HD2  ASN 103          1HD2      ASN 103  -4.680 -16.308   3.646
  803   2HD2  ASN 103          2HD2      ASN 103  -4.646 -15.533   2.102
  804    H    GLU 104           H        GLU 104   1.052 -16.330   5.684
  805    HA   GLU 104           HA       GLU 104   0.154 -17.995   7.841
  806   1HB   GLU 104          2HB       GLU 104   2.453 -18.374   8.355
  807   2HB   GLU 104          1HB       GLU 104   2.285 -18.394   6.607
  808   1HG   GLU 104          2HG       GLU 104   3.253 -16.226   6.418
  809   2HG   GLU 104          1HG       GLU 104   3.229 -16.006   8.169
  810    H    VAL 105           H        VAL 105   1.656 -17.459  10.017
  811    HA   VAL 105           HA       VAL 105   0.645 -14.814  10.831
  812    HB   VAL 105           HB       VAL 105   1.247 -17.190  12.596
  813   1HG1  VAL 105          1HG1      VAL 105   0.682 -15.945  14.402
  814   2HG1  VAL 105          2HG1      VAL 105  -0.463 -14.952  13.500
  815   3HG1  VAL 105          3HG1      VAL 105   1.268 -14.632  13.381
  816   1HG2  VAL 105          1HG2      VAL 105  -1.522 -16.269  12.346
  817   2HG2  VAL 105          2HG2      VAL 105  -0.867 -17.905  12.373
  818   3HG2  VAL 105          3HG2      VAL 105  -0.853 -16.975  10.875
  819    H    ILE 106           H        ILE 106   2.203 -13.335  10.855
  820    HA   ILE 106           HA       ILE 106   4.550 -13.764  12.471
  821    HB   ILE 106           HB       ILE 106   5.399 -14.679  10.420
  822   1HG1  ILE 106          2HG1      ILE 106   6.438 -11.850  10.691
  823   2HG1  ILE 106          1HG1      ILE 106   6.884 -13.182  11.753
  824   1HG2  ILE 106          1HG2      ILE 106   3.805 -13.731   8.864
  825   2HG2  ILE 106          2HG2      ILE 106   5.453 -13.404   8.327
  826   3HG2  ILE 106          3HG2      ILE 106   4.503 -12.128   9.090
  827   1HD1  ILE 106          1HD1      ILE 106   7.419 -13.009   8.796
  828   2HD1  ILE 106          2HD1      ILE 106   7.838 -14.371   9.835
  829   3HD1  ILE 106          3HD1      ILE 106   8.598 -12.800  10.092
  830    H    ASN 107           H        ASN 107   4.264 -12.050  13.749
  831    HA   ASN 107           HA       ASN 107   3.836  -9.419  12.487
  832   1HB   ASN 107          2HB       ASN 107   3.053 -10.319  15.266
  833   2HB   ASN 107          1HB       ASN 107   2.792  -8.710  14.600
  834   1HD2  ASN 107          1HD2      ASN 107   0.850  -8.352  13.854
  835   2HD2  ASN 107          2HD2      ASN 107  -0.247  -9.536  13.241
  836    H    THR 108           H        THR 108   5.173  -7.757  12.981
  837    HA   THR 108           HA       THR 108   7.049  -7.966  15.184
  838    HB   THR 108           HB       THR 108   8.993  -7.450  13.662
  839    HG1  THR 108           1HG      THR 108   8.675  -7.299  11.606
  840   1HG2  THR 108          1HG2      THR 108   8.494  -9.770  14.530
  841   2HG2  THR 108          2HG2      THR 108   9.495  -9.662  13.083
  842   3HG2  THR 108          3HG2      THR 108   7.792 -10.101  12.947
  843    H    GLU 109           H        GLU 109   7.686  -5.963  12.413
  844    HA   GLU 109           HA       GLU 109   6.349  -3.644  13.561
  845   1HB   GLU 109          2HB       GLU 109   9.332  -3.869  13.150
  846   2HB   GLU 109          1HB       GLU 109   8.507  -2.320  13.248
  847   1HG   GLU 109          2HG       GLU 109   8.365  -4.400  15.409
  848   2HG   GLU 109          1HG       GLU 109   9.585  -3.128  15.361
  849    H    ARG 110           H        ARG 110   8.565  -4.812  11.073
  850    HA   ARG 110           HA       ARG 110   7.480  -2.943   9.119
  851   1HB   ARG 110          2HB       ARG 110   9.986  -3.598   9.474
  852   2HB   ARG 110          1HB       ARG 110   9.562  -5.028   8.544
  853   1HG   ARG 110          2HG       ARG 110  10.435  -3.516   6.993
  854   2HG   ARG 110          1HG       ARG 110   8.687  -3.440   6.776
  855   1HD   ARG 110          2HD       ARG 110   9.441  -1.203   6.748
  856   2HD   ARG 110          1HD       ARG 110   8.707  -1.447   8.330
  857    HE   ARG 110           HE       ARG 110  11.489  -0.929   7.754
  858   1HH1  ARG 110          1HH1      ARG 110   9.177  -2.017  10.132
  859   2HH1  ARG 110          2HH1      ARG 110  10.269  -1.819  11.461
  860   1HH2  ARG 110          1HH2      ARG 110  12.914  -0.662   9.500
  861   2HH2  ARG 110          2HH2      ARG 110  12.387  -1.048  11.103
  862    H    LEU 111           H        LEU 111   6.951  -6.067  10.231
  863    HA   LEU 111           HA       LEU 111   5.339  -6.713   7.871
  864   1HB   LEU 111          2HB       LEU 111   7.232  -8.024   7.462
  865   2HB   LEU 111          1HB       LEU 111   7.448  -8.406   9.157
  866    HG   LEU 111           HG       LEU 111   5.531  -9.907   9.099
  867   1HD1  LEU 111          1HD1      LEU 111   4.823  -8.456   6.799
  868   2HD1  LEU 111          2HD1      LEU 111   3.955  -9.796   7.547
  869   3HD1  LEU 111          3HD1      LEU 111   5.136 -10.111   6.276
  870   1HD2  LEU 111          1HD2      LEU 111   6.458 -11.561   7.438
  871   2HD2  LEU 111          2HD2      LEU 111   7.603 -10.937   8.625
  872   3HD2  LEU 111          3HD2      LEU 111   7.617 -10.315   6.975
  873    H    THR 112           H        THR 112   3.370  -7.470   8.323
  874    HA   THR 112           HA       THR 112   2.763  -8.866  10.754
  875    HB   THR 112           HB       THR 112   2.695  -6.671  11.701
  876    HG1  THR 112           1HG      THR 112   0.965  -7.451  12.588
  877   1HG2  THR 112          1HG2      THR 112   1.961  -4.781  10.754
  878   2HG2  THR 112          2HG2      THR 112   0.588  -5.575   9.982
  879   3HG2  THR 112          3HG2      THR 112   2.190  -5.673   9.251
  880    H    VAL 113           H        VAL 113   1.837 -10.502   9.589
  881    HA   VAL 113           HA       VAL 113   0.230 -10.171   7.325
  882    HB   VAL 113           HB       VAL 113   0.145 -12.471   9.281
  883   1HG1  VAL 113          1HG1      VAL 113  -0.416 -13.326   6.671
  884   2HG1  VAL 113          2HG1      VAL 113  -1.390 -11.877   6.923
  885   3HG1  VAL 113          3HG1      VAL 113  -1.531 -13.238   8.036
  886   1HG2  VAL 113          1HG2      VAL 113   2.361 -11.775   8.086
  887   2HG2  VAL 113          2HG2      VAL 113   1.600 -12.506   6.673
  888   3HG2  VAL 113          3HG2      VAL 113   1.873 -13.470   8.124
  889    HA   PRO 114           HA       PRO 114  -3.658 -10.641  10.368
  890   1HB   PRO 114          2HB       PRO 114  -2.339  -9.236  12.654
  891   2HB   PRO 114          1HB       PRO 114  -3.585 -10.490  12.677
  892   1HG   PRO 114          2HG       PRO 114  -1.058 -11.082  13.267
  893   2HG   PRO 114          1HG       PRO 114  -2.058 -12.201  12.323
  894   1HD   PRO 114          2HD       PRO 114   0.134 -10.390  11.420
  895   2HD   PRO 114          1HD       PRO 114  -0.332 -11.992  10.814
  896    H    HIS 115           H        HIS 115  -1.183  -8.200  10.433
  897    HA   HIS 115           HA       HIS 115  -1.102  -5.997   9.971
  898   1HB   HIS 115          2HB       HIS 115  -1.824  -6.913   7.815
  899   2HB   HIS 115          1HB       HIS 115  -3.504  -6.684   8.282
  900    HD1  HIS 115           1HD      HIS 115  -0.501  -4.349   8.334
  901    HD2  HIS 115           2HD      HIS 115  -4.404  -4.545   6.938
  902    HE1  HIS 115           1HE      HIS 115  -0.924  -2.140   7.212
  903    HE2  HIS 115           2HE      HIS 115  -3.323  -2.249   6.453
  904    H    TYR 116           H        TYR 116  -1.528  -4.306  11.156
  905    HA   TYR 116           HA       TYR 116  -4.124  -4.083  12.493
  906   1HB   TYR 116          2HB       TYR 116  -1.381  -3.056  13.063
  907   2HB   TYR 116          1HB       TYR 116  -2.753  -2.125  13.647
  908    HD1  TYR 116           1HD      TYR 116  -1.947  -5.780  13.495
  909    HD2  TYR 116           2HD      TYR 116  -3.120  -2.456  15.874
  910    HE1  TYR 116           1HE      TYR 116  -2.119  -7.249  15.457
  911    HE2  TYR 116           2HE      TYR 116  -3.293  -3.915  17.841
  912    HH   TYR 116           HH       TYR 116  -3.372  -6.071  18.528
  913    H    ASP 117           H        ASP 117  -5.005  -1.875  12.762
  914    HA   ASP 117           HA       ASP 117  -5.839   0.069  11.950
  915   1HB   ASP 117          2HB       ASP 117  -3.290   0.147  10.328
  916   2HB   ASP 117          1HB       ASP 117  -4.394   1.498  10.572
  917    H    MET 118           H        MET 118  -5.600  -2.651  10.184
  918    HA   MET 118           HA       MET 118  -6.193  -1.817   7.559
  919   1HB   MET 118          2HB       MET 118  -7.205  -4.122   7.330
  920   2HB   MET 118          1HB       MET 118  -5.531  -4.071   7.848
  921   1HG   MET 118          2HG       MET 118  -6.056  -4.680  10.030
  922   2HG   MET 118          1HG       MET 118  -7.756  -4.259   9.832
  923   1HE   MET 118          1HE       MET 118  -5.391  -7.742   8.330
  924   2HE   MET 118          2HE       MET 118  -5.107  -6.035   7.987
  925   3HE   MET 118          3HE       MET 118  -6.129  -6.991   6.914
  926    H    LYS 119           H        LYS 119  -8.349  -2.913  10.167
  927    HA   LYS 119           HA       LYS 119 -10.773  -2.694   8.939
  928   1HB   LYS 119          2HB       LYS 119 -11.740  -2.234  11.170
  929   2HB   LYS 119          1HB       LYS 119 -10.595  -3.563  11.175
  930   1HG   LYS 119          2HG       LYS 119  -9.652  -0.828  11.884
  931   2HG   LYS 119          1HG       LYS 119 -10.562  -1.770  13.066
  932   1HD   LYS 119          2HD       LYS 119  -8.077  -2.732  11.653
  933   2HD   LYS 119          1HD       LYS 119  -8.099  -2.025  13.269
  934   1HE   LYS 119          2HE       LYS 119  -9.535  -4.532  12.401
  935   2HE   LYS 119          1HE       LYS 119  -8.070  -4.460  13.380
  936   1HZ   LYS 119          1HZ       LYS 119 -10.831  -3.779  14.116
  937   2HZ   LYS 119          2HZ       LYS 119  -9.557  -2.993  14.904
  938   3HZ   LYS 119          3HZ       LYS 119  -9.682  -4.679  14.973
  939    H    ASN 120           H        ASN 120  -8.945  -0.062  10.457
  940    HA   ASN 120           HA       ASN 120 -10.926   1.860   9.476
  941   1HB   ASN 120          2HB       ASN 120  -9.627   3.513  10.827
  942   2HB   ASN 120          1HB       ASN 120 -10.287   2.189  11.781
  943   1HD2  ASN 120          1HD2      ASN 120  -7.632   4.037  11.300
  944   2HD2  ASN 120          2HD2      ASN 120  -6.420   2.982  11.933
  945    H    ARG 121           H        ARG 121  -9.616   0.657   7.454
  946    HA   ARG 121           HA       ARG 121  -8.214   2.868   6.233
  947   1HB   ARG 121          2HB       ARG 121  -6.479   1.570   7.504
  948   2HB   ARG 121          1HB       ARG 121  -6.846   0.186   6.487
  949   1HG   ARG 121          2HG       ARG 121  -6.124   1.425   4.523
  950   2HG   ARG 121          1HG       ARG 121  -5.779   2.832   5.533
  951   1HD   ARG 121          2HD       ARG 121  -4.476   0.123   5.783
  952   2HD   ARG 121          1HD       ARG 121  -3.750   1.543   5.033
  953    HE   ARG 121           HE       ARG 121  -3.807   0.942   7.790
  954   1HH1  ARG 121          1HH1      ARG 121  -4.111   3.622   5.582
  955   2HH1  ARG 121          2HH1      ARG 121  -3.559   4.795   6.731
  956   1HH2  ARG 121          1HH2      ARG 121  -3.081   2.480   9.303
  957   2HH2  ARG 121          2HH2      ARG 121  -2.973   4.146   8.843
  958    H    GLY 122           H        GLY 122 -10.492   2.339   5.310
  959   1HA   GLY 122          2HA       GLY 122 -10.869   0.098   3.651
  960   2HA   GLY 122          1HA       GLY 122 -11.776   1.597   3.565
  961    H    PHE 123           H        PHE 123  -8.784   2.683   3.196
  962    HA   PHE 123           HA       PHE 123  -8.983   2.539   0.283
  963   1HB   PHE 123          2HB       PHE 123  -7.339   4.454   0.361
  964   2HB   PHE 123          1HB       PHE 123  -8.921   4.781   1.057
  965    HD1  PHE 123           1HD      PHE 123  -5.443   3.841   1.958
  966    HD2  PHE 123           2HD      PHE 123  -9.118   5.572   3.227
  967    HE1  PHE 123           1HE      PHE 123  -4.375   4.567   4.052
  968    HE2  PHE 123           2HE      PHE 123  -8.055   6.303   5.322
  969    HZ   PHE 123           HZ       PHE 123  -5.680   5.801   5.736
  970    H    MET 124           H        MET 124  -7.972   0.293   1.735
  971    HA   MET 124           HA       MET 124  -5.470  -0.033   0.317
  972   1HB   MET 124          2HB       MET 124  -5.613  -0.349   3.320
  973   2HB   MET 124          1HB       MET 124  -4.286  -0.922   2.322
  974   1HG   MET 124          2HG       MET 124  -5.140   1.946   2.626
  975   2HG   MET 124          1HG       MET 124  -3.770   1.186   3.432
  976   1HE   MET 124          1HE       MET 124  -1.724   2.899   2.295
  977   2HE   MET 124          2HE       MET 124  -3.311   3.668   2.282
  978   3HE   MET 124          3HE       MET 124  -2.299   3.710   0.839
  979    H    LEU 125           H        LEU 125  -8.009  -1.321   2.348
  980    HA   LEU 125           HA       LEU 125  -7.361  -4.074   1.724
  981   1HB   LEU 125          2HB       LEU 125  -9.743  -2.928   3.174
  982   2HB   LEU 125          1HB       LEU 125  -9.265  -4.611   3.143
  983    HG   LEU 125           HG       LEU 125  -7.733  -2.351   4.431
  984   1HD1  LEU 125          1HD1      LEU 125  -8.325  -4.240   6.336
  985   2HD1  LEU 125          2HD1      LEU 125  -9.791  -4.182   5.359
  986   3HD1  LEU 125          3HD1      LEU 125  -9.166  -2.709   6.097
  987   1HD2  LEU 125          1HD2      LEU 125  -5.937  -3.653   4.332
  988   2HD2  LEU 125          2HD2      LEU 125  -6.858  -4.924   3.527
  989   3HD2  LEU 125          3HD2      LEU 125  -6.796  -4.861   5.289
  990    H    TRP 126           H        TRP 126  -9.800  -1.680   0.871
  991    HA   TRP 126           HA       TRP 126 -11.548  -3.318  -0.569
  992   1HB   TRP 126          2HB       TRP 126 -12.365  -1.202  -0.017
  993   2HB   TRP 126          1HB       TRP 126 -10.932  -0.381  -0.617
  994    HD1  TRP 126           HD       TRP 126 -11.807   1.161  -2.452
  995    HE1  TRP 126           1HE      TRP 126 -13.243   0.886  -4.566
  996    HE3  TRP 126           3HE      TRP 126 -13.212  -3.721  -1.858
  997    HZ2  TRP 126           2HZ      TRP 126 -14.768  -1.126  -5.819
  998    HZ3  TRP 126           3HZ      TRP 126 -14.661  -4.743  -3.563
  999    HH2  TRP 126           HH       TRP 126 -15.423  -3.471  -5.502
 1000    HA   PRO 127           HA       PRO 127  -8.973  -1.985  -4.548
 1001   1HB   PRO 127          2HB       PRO 127  -6.275  -1.882  -4.020
 1002   2HB   PRO 127          1HB       PRO 127  -7.323  -0.468  -4.153
 1003   1HG   PRO 127          2HG       PRO 127  -6.417  -1.924  -1.695
 1004   2HG   PRO 127          1HG       PRO 127  -6.493  -0.177  -1.994
 1005   1HD   PRO 127          2HD       PRO 127  -8.386  -1.375  -0.565
 1006   2HD   PRO 127          1HD       PRO 127  -8.819  -0.118  -1.746
 1007    H    LEU 128           H        LEU 128  -6.962  -3.745  -2.171
 1008    HA   LEU 128           HA       LEU 128  -6.182  -5.722  -4.024
 1009   1HB   LEU 128          2HB       LEU 128  -5.043  -6.740  -2.292
 1010   2HB   LEU 128          1HB       LEU 128  -5.096  -5.067  -1.781
 1011    HG   LEU 128           HG       LEU 128  -7.189  -5.797  -0.425
 1012   1HD1  LEU 128          1HD1      LEU 128  -6.144  -8.338  -1.450
 1013   2HD1  LEU 128          2HD1      LEU 128  -7.749  -7.926  -0.847
 1014   3HD1  LEU 128          3HD1      LEU 128  -6.453  -8.309   0.286
 1015   1HD2  LEU 128          1HD2      LEU 128  -5.853  -6.056   1.454
 1016   2HD2  LEU 128          2HD2      LEU 128  -4.793  -5.191   0.340
 1017   3HD2  LEU 128          3HD2      LEU 128  -4.601  -6.929   0.569
 1018    H    PHE 129           H        PHE 129  -9.003  -5.307  -2.081
 1019    HA   PHE 129           HA       PHE 129  -9.905  -7.971  -1.949
 1020   1HB   PHE 129          2HB       PHE 129 -10.904  -6.080  -0.666
 1021   2HB   PHE 129          1HB       PHE 129 -11.580  -5.454  -2.165
 1022    HD1  PHE 129           1HD      PHE 129 -13.714  -6.064  -2.778
 1023    HD2  PHE 129           2HD      PHE 129 -11.557  -8.530  -0.065
 1024    HE1  PHE 129           1HE      PHE 129 -15.720  -7.449  -2.449
 1025    HE2  PHE 129           2HE      PHE 129 -13.558  -9.921   0.268
 1026    HZ   PHE 129           HZ       PHE 129 -15.643  -9.382  -0.925
 1027    H    GLU 130           H        GLU 130  -9.676  -5.705  -4.499
 1028    HA   GLU 130           HA       GLU 130 -11.609  -6.967  -6.231
 1029   1HB   GLU 130          2HB       GLU 130 -11.220  -4.558  -6.379
 1030   2HB   GLU 130          1HB       GLU 130  -9.527  -4.837  -6.761
 1031   1HG   GLU 130          2HG       GLU 130 -10.745  -4.279  -8.758
 1032   2HG   GLU 130          1HG       GLU 130 -10.196  -5.952  -8.839
 1033    H    ILE 131           H        ILE 131  -8.105  -6.894  -5.838
 1034    HA   ILE 131           HA       ILE 131  -7.675  -8.571  -8.159
 1035    HB   ILE 131           HB       ILE 131  -5.296  -8.473  -7.556
 1036   1HG1  ILE 131          2HG1      ILE 131  -6.248  -6.789  -5.227
 1037   2HG1  ILE 131          1HG1      ILE 131  -5.559  -8.404  -5.108
 1038   1HG2  ILE 131          1HG2      ILE 131  -6.673  -5.790  -7.519
 1039   2HG2  ILE 131          2HG2      ILE 131  -6.285  -6.737  -8.956
 1040   3HG2  ILE 131          3HG2      ILE 131  -4.988  -6.084  -7.954
 1041   1HD1  ILE 131          1HD1      ILE 131  -3.741  -6.784  -6.557
 1042   2HD1  ILE 131          2HD1      ILE 131  -3.539  -7.523  -4.968
 1043   3HD1  ILE 131          3HD1      ILE 131  -4.230  -5.907  -5.107
 1044    H    ALA 132           H        ALA 132  -8.418  -9.077  -4.894
 1045    HA   ALA 132           HA       ALA 132  -8.356 -11.885  -5.132
 1046   1HB   ALA 132          1HB       ALA 132  -6.594 -12.272  -3.337
 1047   2HB   ALA 132          2HB       ALA 132  -6.041 -10.634  -3.690
 1048   3HB   ALA 132          3HB       ALA 132  -6.020 -11.863  -4.955
 1049    HA   PRO 133           HA       PRO 133 -10.857 -10.470  -1.591
 1050   1HB   PRO 133          2HB       PRO 133 -13.244 -11.264  -2.478
 1051   2HB   PRO 133          1HB       PRO 133 -12.476  -9.805  -3.113
 1052   1HG   PRO 133          2HG       PRO 133 -12.792 -12.476  -4.368
 1053   2HG   PRO 133          1HG       PRO 133 -12.709 -10.878  -5.126
 1054   1HD   PRO 133          2HD       PRO 133 -10.603 -12.773  -4.848
 1055   2HD   PRO 133          1HD       PRO 133 -10.487 -11.118  -5.477
 1056    H    GLU 134           H        GLU 134  -9.280 -12.846  -1.524
 1057    HA   GLU 134           HA       GLU 134 -11.144 -14.613  -0.116
 1058   1HB   GLU 134          2HB       GLU 134  -9.121 -15.559  -2.146
 1059   2HB   GLU 134          1HB       GLU 134 -10.067 -16.607  -1.098
 1060   1HG   GLU 134          2HG       GLU 134 -12.123 -15.753  -2.139
 1061   2HG   GLU 134          1HG       GLU 134 -11.142 -14.764  -3.221
 1062    H    LEU 135           H        LEU 135  -8.461 -12.793   0.103
 1063    HA   LEU 135           HA       LEU 135  -6.498 -14.340   1.323
 1064   1HB   LEU 135          2HB       LEU 135  -7.357 -11.488   1.704
 1065   2HB   LEU 135          1HB       LEU 135  -6.052 -12.169   2.653
 1066    HG   LEU 135           HG       LEU 135  -4.691 -12.486   0.721
 1067   1HD1  LEU 135          1HD1      LEU 135  -7.070 -11.642  -0.927
 1068   2HD1  LEU 135          2HD1      LEU 135  -6.399 -13.271  -0.832
 1069   3HD1  LEU 135          3HD1      LEU 135  -5.448 -11.965  -1.540
 1070   1HD2  LEU 135          1HD2      LEU 135  -5.691  -9.976   1.515
 1071   2HD2  LEU 135          2HD2      LEU 135  -5.516  -9.934  -0.240
 1072   3HD2  LEU 135          3HD2      LEU 135  -4.134 -10.347   0.775
 1073    H    VAL 136           H        VAL 136  -8.805 -12.291   3.045
 1074    HA   VAL 136           HA       VAL 136  -9.501 -12.319   5.213
 1075    HB   VAL 136           HB       VAL 136 -11.321 -13.362   4.216
 1076   1HG1  VAL 136          1HG1      VAL 136 -10.076 -14.939   2.800
 1077   2HG1  VAL 136          2HG1      VAL 136 -11.468 -15.687   3.584
 1078   3HG1  VAL 136          3HG1      VAL 136  -9.843 -15.986   4.200
 1079   1HG2  VAL 136          1HG2      VAL 136 -11.113 -15.544   6.115
 1080   2HG2  VAL 136          2HG2      VAL 136 -12.227 -14.177   6.074
 1081   3HG2  VAL 136          3HG2      VAL 136 -10.633 -13.993   6.807
 1082    H    PHE 137           H        PHE 137  -8.742 -15.759   5.043
 1083    HA   PHE 137           HA       PHE 137  -8.273 -16.681   7.323
 1084   1HB   PHE 137          2HB       PHE 137  -7.445 -17.877   5.436
 1085   2HB   PHE 137          1HB       PHE 137  -6.101 -16.752   5.247
 1086    HD1  PHE 137           1HD      PHE 137  -4.102 -17.711   5.804
 1087    HD2  PHE 137           2HD      PHE 137  -7.550 -18.632   8.118
 1088    HE1  PHE 137           1HE      PHE 137  -2.722 -19.080   7.310
 1089    HE2  PHE 137           2HE      PHE 137  -6.179 -20.003   9.628
 1090    HZ   PHE 137           HZ       PHE 137  -3.759 -20.226   9.226
 1091    HA   PRO 138           HA       PRO 138  -3.688 -14.484   8.081
 1092   1HB   PRO 138          2HB       PRO 138  -5.148 -11.930   7.533
 1093   2HB   PRO 138          1HB       PRO 138  -3.422 -12.286   7.403
 1094   1HG   PRO 138          2HG       PRO 138  -5.217 -12.330   5.291
 1095   2HG   PRO 138          1HG       PRO 138  -3.641 -13.133   5.308
 1096   1HD   PRO 138          2HD       PRO 138  -6.202 -14.362   5.191
 1097   2HD   PRO 138          1HD       PRO 138  -4.632 -15.169   5.379
 1098    H    ASP 139           H        ASP 139  -6.784 -12.815   8.711
 1099    HA   ASP 139           HA       ASP 139  -6.218 -13.099  11.587
 1100   1HB   ASP 139          2HB       ASP 139  -6.000 -10.752  10.833
 1101   2HB   ASP 139          1HB       ASP 139  -7.657 -10.804  10.235
 1102    H    GLY 140           H        GLY 140  -8.160 -14.018   9.088
 1103   1HA   GLY 140          2HA       GLY 140  -9.925 -15.595   9.440
 1104   2HA   GLY 140          1HA       GLY 140 -10.311 -14.774  10.946
 1105    H    GLU 141           H        GLU 141  -9.690 -12.418   8.762
 1106    HA   GLU 141           HA       GLU 141 -12.419 -12.337   7.685
 1107   1HB   GLU 141          2HB       GLU 141 -11.050 -10.026   9.072
 1108   2HB   GLU 141          1HB       GLU 141 -12.626  -9.973   8.297
 1109   1HG   GLU 141          2HG       GLU 141 -11.934 -11.687  10.670
 1110   2HG   GLU 141          1HG       GLU 141 -12.741 -10.123  10.751
 1111    H    MET 142           H        MET 142 -12.611 -11.302   5.706
 1112    HA   MET 142           HA       MET 142 -10.379 -11.279   4.021
 1113   1HB   MET 142          2HB       MET 142 -13.074  -9.956   3.664
 1114   2HB   MET 142          1HB       MET 142 -11.879 -10.148   2.388
 1115   1HG   MET 142          2HG       MET 142 -12.021 -12.589   2.659
 1116   2HG   MET 142          1HG       MET 142 -13.272 -12.360   3.880
 1117   1HE   MET 142          1HE       MET 142 -14.925 -13.971   2.530
 1118   2HE   MET 142          2HE       MET 142 -13.638 -14.224   1.353
 1119   3HE   MET 142          3HE       MET 142 -15.257 -13.785   0.809
 1120    H    LEU 143           H        LEU 143 -11.053  -8.720   2.637
 1121    HA   LEU 143           HA       LEU 143  -9.517  -6.979   4.435
 1122   1HB   LEU 143          2HB       LEU 143  -9.615  -7.039   1.423
 1123   2HB   LEU 143          1HB       LEU 143  -8.758  -5.833   2.361
 1124    HG   LEU 143           HG       LEU 143  -7.160  -7.422   1.597
 1125   1HD1  LEU 143          1HD1      LEU 143  -6.158  -7.167   3.549
 1126   2HD1  LEU 143          2HD1      LEU 143  -6.950  -8.644   4.096
 1127   3HD1  LEU 143          3HD1      LEU 143  -7.706  -7.078   4.390
 1128   1HD2  LEU 143          1HD2      LEU 143  -8.794  -9.601   2.880
 1129   2HD2  LEU 143          2HD2      LEU 143  -7.307  -9.787   1.950
 1130   3HD2  LEU 143          3HD2      LEU 143  -8.784  -9.246   1.152
 1131    H    ARG 144           H        ARG 144 -11.920  -6.762   1.792
 1132    HA   ARG 144           HA       ARG 144 -12.658  -4.110   2.505
 1133   1HB   ARG 144          2HB       ARG 144 -12.956  -5.012   0.220
 1134   2HB   ARG 144          1HB       ARG 144 -14.215  -6.081   0.833
 1135   1HG   ARG 144          2HG       ARG 144 -15.388  -3.976   1.645
 1136   2HG   ARG 144          1HG       ARG 144 -14.248  -3.088   0.636
 1137   1HD   ARG 144          2HD       ARG 144 -16.223  -3.400  -0.642
 1138   2HD   ARG 144          1HD       ARG 144 -15.005  -4.495  -1.292
 1139    HE   ARG 144           HE       ARG 144 -16.469  -5.903   0.609
 1140   1HH1  ARG 144          1HH1      ARG 144 -16.970  -4.379  -2.484
 1141   2HH1  ARG 144          2HH1      ARG 144 -18.251  -5.448  -2.948
 1142   1HH2  ARG 144          1HH2      ARG 144 -18.156  -7.312   0.009
 1143   2HH2  ARG 144          2HH2      ARG 144 -18.927  -7.113  -1.529
 1144    H    GLN 145           H        GLN 145 -13.937  -7.293   3.336
 1145    HA   GLN 145           HA       GLN 145 -16.376  -6.358   4.389
 1146   1HB   GLN 145          2HB       GLN 145 -16.659  -8.508   5.361
 1147   2HB   GLN 145          1HB       GLN 145 -15.881  -8.730   3.804
 1148   1HG   GLN 145          2HG       GLN 145 -13.717  -8.968   4.964
 1149   2HG   GLN 145          1HG       GLN 145 -14.566  -8.847   6.506
 1150   1HE2  GLN 145          1HE2      GLN 145 -16.228 -10.400   3.946
 1151   2HE2  GLN 145          2HE2      GLN 145 -16.010 -12.024   4.489
 1152    H    ILE 146           H        ILE 146 -13.161  -6.361   5.688
 1153    HA   ILE 146           HA       ILE 146 -13.985  -6.021   8.423
 1154    HB   ILE 146           HB       ILE 146 -11.308  -5.381   7.168
 1155   1HG1  ILE 146          2HG1      ILE 146 -12.284  -7.861   8.606
 1156   2HG1  ILE 146          1HG1      ILE 146 -11.859  -7.743   6.901
 1157   1HG2  ILE 146          1HG2      ILE 146 -11.431  -6.085  10.004
 1158   2HG2  ILE 146          2HG2      ILE 146 -12.256  -4.580   9.602
 1159   3HG2  ILE 146          3HG2      ILE 146 -10.553  -4.788   9.193
 1160   1HD1  ILE 146          1HD1      ILE 146  -9.534  -7.088   7.697
 1161   2HD1  ILE 146          2HD1      ILE 146 -10.027  -8.767   7.923
 1162   3HD1  ILE 146          3HD1      ILE 146 -10.052  -7.650   9.287
 1163    H    LEU 147           H        LEU 147 -12.955  -3.940   5.771
 1164    HA   LEU 147           HA       LEU 147 -13.165  -1.520   7.315
 1165   1HB   LEU 147          2HB       LEU 147 -12.669  -0.380   5.234
 1166   2HB   LEU 147          1HB       LEU 147 -11.576  -1.735   5.442
 1167    HG   LEU 147           HG       LEU 147 -13.267  -3.007   3.914
 1168   1HD1  LEU 147          1HD1      LEU 147 -14.446  -0.430   3.958
 1169   2HD1  LEU 147          2HD1      LEU 147 -14.960  -1.863   3.069
 1170   3HD1  LEU 147          3HD1      LEU 147 -13.831  -0.726   2.331
 1171   1HD2  LEU 147          1HD2      LEU 147 -10.914  -1.533   3.451
 1172   2HD2  LEU 147          2HD2      LEU 147 -11.995  -1.227   2.091
 1173   3HD2  LEU 147          3HD2      LEU 147 -11.561  -2.882   2.516
 1174    H    HIS 148           H        HIS 148 -15.240  -3.512   5.468
 1175    HA   HIS 148           HA       HIS 148 -17.194  -1.616   4.696
 1176   1HB   HIS 148          2HB       HIS 148 -16.902  -3.922   3.732
 1177   2HB   HIS 148          1HB       HIS 148 -17.597  -4.568   5.214
 1178    HD1  HIS 148           1HD      HIS 148 -18.585  -2.178   2.423
 1179    HD2  HIS 148           2HD      HIS 148 -20.286  -4.842   5.117
 1180    HE1  HIS 148           1HE      HIS 148 -21.026  -2.268   1.829
 1181    HE2  HIS 148           2HE      HIS 148 -22.048  -3.829   3.520
 1182    H    THR 149           H        THR 149 -16.542  -3.333   7.635
 1183    HA   THR 149           HA       THR 149 -19.061  -2.350   8.796
 1184    HB   THR 149           HB       THR 149 -18.758  -4.078  10.521
 1185    HG1  THR 149           1HG      THR 149 -16.307  -4.053   9.894
 1186   1HG2  THR 149          1HG2      THR 149 -18.760  -6.134   8.958
 1187   2HG2  THR 149          2HG2      THR 149 -18.770  -4.937   7.664
 1188   3HG2  THR 149          3HG2      THR 149 -20.074  -4.964   8.851
 1189    H    ARG 150           H        ARG 150 -15.757  -1.767   8.701
 1190    HA   ARG 150           HA       ARG 150 -15.829  -0.450  11.337
 1191   1HB   ARG 150          2HB       ARG 150 -13.837  -2.129  10.085
 1192   2HB   ARG 150          1HB       ARG 150 -13.161  -0.565  10.510
 1193   1HG   ARG 150          2HG       ARG 150 -12.797  -2.061  12.325
 1194   2HG   ARG 150          1HG       ARG 150 -14.015  -0.884  12.817
 1195   1HD   ARG 150          2HD       ARG 150 -15.776  -2.507  12.380
 1196   2HD   ARG 150          1HD       ARG 150 -14.574  -3.680  11.836
 1197    HE   ARG 150           HE       ARG 150 -13.915  -2.840  14.428
 1198   1HH1  ARG 150          1HH1      ARG 150 -16.336  -4.704  12.761
 1199   2HH1  ARG 150          2HH1      ARG 150 -16.682  -5.712  14.125
 1200   1HH2  ARG 150          1HH2      ARG 150 -14.363  -4.155  16.227
 1201   2HH2  ARG 150          2HH2      ARG 150 -15.561  -5.399  16.098
 1202    H    ALA 151           H        ALA 151 -14.144  -0.106   8.199
 1203    HA   ALA 151           HA       ALA 151 -13.928   2.753   8.625
 1204   1HB   ALA 151          1HB       ALA 151 -12.936   0.959   6.420
 1205   2HB   ALA 151          2HB       ALA 151 -11.997   1.685   7.725
 1206   3HB   ALA 151          3HB       ALA 151 -12.683   2.704   6.459
 1207    H    PHE 152           H        PHE 152 -14.360   1.717   5.365
 1208    HA   PHE 152           HA       PHE 152 -16.875   3.235   5.243
 1209   1HB   PHE 152          2HB       PHE 152 -14.724   2.725   3.194
 1210   2HB   PHE 152          1HB       PHE 152 -16.305   3.356   2.754
 1211    HD1  PHE 152           1HD      PHE 152 -16.182   5.561   2.233
 1212    HD2  PHE 152           2HD      PHE 152 -13.907   4.107   5.521
 1213    HE1  PHE 152           1HE      PHE 152 -15.403   7.845   2.697
 1214    HE2  PHE 152           2HE      PHE 152 -13.127   6.392   5.994
 1215    HZ   PHE 152           HZ       PHE 152 -13.874   8.264   4.580
 1216    H    ASP 153           H        ASP 153 -16.858   1.994   2.363
 1217    HA   ASP 153           HA       ASP 153 -17.715  -0.707   2.918
 1218   1HB   ASP 153          2HB       ASP 153 -19.934  -0.288   1.773
 1219   2HB   ASP 153          1HB       ASP 153 -19.775   0.384   3.391
 1220    H    LYS 154           H        LYS 154 -17.013   1.898   0.717
 1221    HA   LYS 154           HA       LYS 154 -15.590   0.393  -1.105
 1222   1HB   LYS 154          2HB       LYS 154 -17.769  -0.701  -1.589
 1223   2HB   LYS 154          1HB       LYS 154 -18.421   0.856  -2.074
 1224   1HG   LYS 154          2HG       LYS 154 -15.973  -0.184  -3.421
 1225   2HG   LYS 154          1HG       LYS 154 -17.554  -0.836  -3.853
 1226   1HD   LYS 154          2HD       LYS 154 -16.845   2.096  -3.886
 1227   2HD   LYS 154          1HD       LYS 154 -16.817   1.045  -5.303
 1228   1HE   LYS 154          2HE       LYS 154 -19.206   0.583  -4.994
 1229   2HE   LYS 154          1HE       LYS 154 -19.227   1.646  -3.589
 1230   1HZ   LYS 154          1HZ       LYS 154 -18.869   2.365  -6.432
 1231   2HZ   LYS 154          2HZ       LYS 154 -18.386   3.413  -5.195
 1232   3HZ   LYS 154          3HZ       LYS 154 -20.009   2.953  -5.328
 1233    H    LEU 155           H        LEU 155 -14.236   2.020  -1.510
 1234    HA   LEU 155           HA       LEU 155 -15.094   4.739  -1.786
 1235   1HB   LEU 155          2HB       LEU 155 -12.422   3.441  -2.318
 1236   2HB   LEU 155          1HB       LEU 155 -12.710   5.169  -2.334
 1237    HG   LEU 155           HG       LEU 155 -13.041   3.382   0.077
 1238   1HD1  LEU 155          1HD1      LEU 155 -10.977   4.100   0.840
 1239   2HD1  LEU 155          2HD1      LEU 155 -10.938   5.483  -0.255
 1240   3HD1  LEU 155          3HD1      LEU 155 -10.683   3.853  -0.882
 1241   1HD2  LEU 155          1HD2      LEU 155 -12.762   6.165   0.655
 1242   2HD2  LEU 155          2HD2      LEU 155 -14.091   5.076   1.051
 1243   3HD2  LEU 155          3HD2      LEU 155 -14.087   5.938  -0.487
 1244    H    ASN 156           H        ASN 156 -14.450   6.076  -3.689
 1245    HA   ASN 156           HA       ASN 156 -15.479   4.879  -6.105
 1246   1HB   ASN 156          2HB       ASN 156 -14.411   7.664  -5.582
 1247   2HB   ASN 156          1HB       ASN 156 -15.223   7.150  -7.056
 1248   1HD2  ASN 156          1HD2      ASN 156 -16.725   5.488  -4.689
 1249   2HD2  ASN 156          2HD2      ASN 156 -18.010   6.582  -4.328
 1250    H    LYS 157           H        LYS 157 -14.358   4.464  -7.987
 1251    HA   LYS 157           HA       LYS 157 -11.562   3.910  -7.719
 1252   1HB   LYS 157          2HB       LYS 157 -13.361   2.658  -9.107
 1253   2HB   LYS 157          1HB       LYS 157 -13.066   3.891 -10.323
 1254   1HG   LYS 157          2HG       LYS 157 -11.735   2.038 -10.907
 1255   2HG   LYS 157          1HG       LYS 157 -10.639   3.245 -10.238
 1256   1HD   LYS 157          2HD       LYS 157  -9.992   1.160  -9.311
 1257   2HD   LYS 157          1HD       LYS 157 -10.832   2.037  -8.033
 1258   1HE   LYS 157          2HE       LYS 157 -12.110  -0.050  -9.797
 1259   2HE   LYS 157          1HE       LYS 157 -11.450  -0.372  -8.196
 1260   1HZ   LYS 157          1HZ       LYS 157 -13.046   1.521  -7.494
 1261   2HZ   LYS 157          2HZ       LYS 157 -13.666  -0.030  -7.757
 1262   3HZ   LYS 157          3HZ       LYS 157 -13.845   1.165  -8.943
 1263    H    TRP 158           H        TRP 158 -11.175   6.298  -7.191
 1264    HA   TRP 158           HA       TRP 158 -10.387   8.366  -7.710
 1265   1HB   TRP 158          2HB       TRP 158  -8.552   6.914  -8.563
 1266   2HB   TRP 158          1HB       TRP 158  -9.299   6.959 -10.158
 1267    HD1  TRP 158           HD       TRP 158  -8.704   9.929  -7.737
 1268    HE1  TRP 158           1HE      TRP 158  -7.308  11.699  -8.975
 1269    HE3  TRP 158           3HE      TRP 158  -7.887   7.407 -12.108
 1270    HZ2  TRP 158           2HZ      TRP 158  -6.028  11.990 -11.471
 1271    HZ3  TRP 158           3HZ      TRP 158  -6.567   8.504 -13.870
 1272    HH2  TRP 158           HH       TRP 158  -5.659  10.748 -13.557
  Start of MODEL    2
    1   1H    THR   1          1HT       THR   1   2.941  -9.065 -14.903
    2   2H    THR   1          2HT       THR   1   2.343 -10.589 -15.333
    3   3H    THR   1          3HT       THR   1   3.951 -10.421 -14.839
    4    HA   THR   1           HA       THR   1   1.766 -11.037 -13.269
    5    HB   THR   1           HB       THR   1   4.601 -10.211 -12.601
    6    HG1  THR   1           1HG      THR   1   5.052 -12.348 -12.779
    7   1HG2  THR   1          1HG2      THR   1   2.791 -10.362 -10.688
    8   2HG2  THR   1          2HG2      THR   1   4.421 -11.010 -10.484
    9   3HG2  THR   1          3HG2      THR   1   3.087 -12.092 -10.883
   10    H    VAL   2           H        VAL   2   0.229  -9.325 -13.274
   11    HA   VAL   2           HA       VAL   2   0.899  -6.698 -12.379
   12    HB   VAL   2           HB       VAL   2  -1.813  -8.036 -12.475
   13   1HG1  VAL   2          1HG1      VAL   2  -1.591  -5.118 -12.756
   14   2HG1  VAL   2          2HG1      VAL   2  -1.196  -5.750 -11.158
   15   3HG1  VAL   2          3HG1      VAL   2  -2.770  -6.089 -11.876
   16   1HG2  VAL   2          1HG2      VAL   2  -1.724  -6.248 -14.538
   17   2HG2  VAL   2          2HG2      VAL   2  -1.465  -7.985 -14.688
   18   3HG2  VAL   2          3HG2      VAL   2  -0.085  -6.898 -14.542
   19    H    ALA   3           H        ALA   3   1.764  -6.541 -10.392
   20    HA   ALA   3           HA       ALA   3   0.676  -8.113  -8.200
   21   1HB   ALA   3          1HB       ALA   3   2.651  -6.530  -7.126
   22   2HB   ALA   3          2HB       ALA   3   3.207  -6.809  -8.776
   23   3HB   ALA   3          3HB       ALA   3   2.849  -8.178  -7.724
   24    H    TYR   4           H        TYR   4  -0.594  -7.389  -6.654
   25    HA   TYR   4           HA       TYR   4  -1.500  -4.618  -6.758
   26   1HB   TYR   4          2HB       TYR   4  -2.504  -7.016  -5.214
   27   2HB   TYR   4          1HB       TYR   4  -3.203  -5.405  -5.088
   28    HD1  TYR   4           1HD      TYR   4  -2.110  -7.526  -7.981
   29    HD2  TYR   4           2HD      TYR   4  -5.247  -5.322  -6.139
   30    HE1  TYR   4           1HE      TYR   4  -3.569  -8.010  -9.900
   31    HE2  TYR   4           2HE      TYR   4  -6.714  -5.801  -8.050
   32    HH   TYR   4           HH       TYR   4  -6.906  -6.792 -10.023
   33    H    ILE   5           H        ILE   5  -0.512  -3.167  -5.641
   34    HA   ILE   5           HA       ILE   5   0.751  -3.911  -3.092
   35    HB   ILE   5           HB       ILE   5   1.507  -1.412  -4.514
   36   1HG1  ILE   5          2HG1      ILE   5   3.304  -3.261  -5.492
   37   2HG1  ILE   5          1HG1      ILE   5   1.763  -4.085  -5.665
   38   1HG2  ILE   5          1HG2      ILE   5   3.733  -1.999  -3.627
   39   2HG2  ILE   5          2HG2      ILE   5   3.034  -3.455  -2.916
   40   3HG2  ILE   5          3HG2      ILE   5   2.503  -1.863  -2.371
   41   1HD1  ILE   5          1HD1      ILE   5   1.234  -1.546  -6.573
   42   2HD1  ILE   5          2HD1      ILE   5   1.539  -2.974  -7.561
   43   3HD1  ILE   5          3HD1      ILE   5   2.860  -1.873  -7.168
   44    H    ALA   6           H        ALA   6   0.600  -2.500  -1.365
   45    HA   ALA   6           HA       ALA   6  -1.546  -0.488  -1.524
   46   1HB   ALA   6          1HB       ALA   6  -2.559  -1.366   0.260
   47   2HB   ALA   6          2HB       ALA   6  -1.042  -1.515   1.147
   48   3HB   ALA   6          3HB       ALA   6  -1.532  -2.779   0.018
   49    H    ILE   7           H        ILE   7  -0.857   1.531  -1.205
   50    HA   ILE   7           HA       ILE   7   1.643   1.924   0.309
   51    HB   ILE   7           HB       ILE   7   1.853   2.549  -2.031
   52   1HG1  ILE   7          2HG1      ILE   7   1.700   5.033  -0.309
   53   2HG1  ILE   7          1HG1      ILE   7   3.030   3.877  -0.275
   54   1HG2  ILE   7          1HG2      ILE   7   0.066   3.304  -3.106
   55   2HG2  ILE   7          2HG2      ILE   7   0.321   4.858  -2.310
   56   3HG2  ILE   7          3HG2      ILE   7  -0.765   3.667  -1.594
   57   1HD1  ILE   7          1HD1      ILE   7   3.160   4.364  -2.825
   58   2HD1  ILE   7          2HD1      ILE   7   3.846   5.506  -1.669
   59   3HD1  ILE   7          3HD1      ILE   7   2.270   5.825  -2.396
   60    H    GLY   8           H        GLY   8   1.672   3.273   2.044
   61   1HA   GLY   8          2HA       GLY   8  -0.520   5.158   2.438
   62   2HA   GLY   8          1HA       GLY   8  -0.399   3.862   3.614
   63    H    SER   9           H        SER   9  -0.177   6.728   4.021
   64    HA   SER   9           HA       SER   9   2.300   6.725   5.533
   65   1HB   SER   9          2HB       SER   9   3.116   7.695   3.492
   66   2HB   SER   9          1HB       SER   9   1.723   8.770   3.383
   67    HG   SER   9           HG       SER   9   3.048  10.094   4.360
   68    H    ASN  10           H        ASN  10   2.465   8.805   6.862
   69    HA   ASN  10           HA       ASN  10   0.040  10.246   7.357
   70   1HB   ASN  10          2HB       ASN  10  -0.187   9.490   9.737
   71   2HB   ASN  10          1HB       ASN  10  -0.620   8.277   8.541
   72   1HD2  ASN  10          1HD2      ASN  10   2.649   8.449   8.408
   73   2HD2  ASN  10          2HD2      ASN  10   3.052   7.215   9.545
   74    H    LEU  11           H        LEU  11   1.080  12.162   7.290
   75    HA   LEU  11           HA       LEU  11   2.665  12.910   9.568
   76   1HB   LEU  11          2HB       LEU  11   4.662  13.559   8.431
   77   2HB   LEU  11          1HB       LEU  11   4.347  11.879   8.044
   78    HG   LEU  11           HG       LEU  11   3.653  14.172   6.211
   79   1HD1  LEU  11          1HD1      LEU  11   5.878  14.322   5.943
   80   2HD1  LEU  11          2HD1      LEU  11   5.675  12.850   4.993
   81   3HD1  LEU  11          3HD1      LEU  11   6.178  12.748   6.680
   82   1HD2  LEU  11          1HD2      LEU  11   2.380  12.524   5.351
   83   2HD2  LEU  11          2HD2      LEU  11   3.302  11.248   6.145
   84   3HD2  LEU  11          3HD2      LEU  11   3.910  11.983   4.662
   85    H    ALA  12           H        ALA  12   3.719  15.279   8.741
   86    HA   ALA  12           HA       ALA  12   1.519  17.005   8.725
   87   1HB   ALA  12          1HB       ALA  12   4.256  17.273   9.032
   88   2HB   ALA  12          2HB       ALA  12   3.063  18.569   9.099
   89   3HB   ALA  12          3HB       ALA  12   3.897  18.216   7.586
   90    H    SER  13           H        SER  13   3.513  15.765   6.108
   91    HA   SER  13           HA       SER  13   1.560  16.840   4.187
   92   1HB   SER  13          2HB       SER  13   4.563  16.691   3.825
   93   2HB   SER  13          1HB       SER  13   3.415  17.154   2.570
   94    HG   SER  13           HG       SER  13   4.277  18.989   3.583
   95    HA   PRO  14           HA       PRO  14   1.593  12.219   3.935
   96   1HB   PRO  14          2HB       PRO  14  -0.967  12.917   2.596
   97   2HB   PRO  14          1HB       PRO  14  -0.634  11.688   3.820
   98   1HG   PRO  14          2HG       PRO  14  -1.899  13.934   4.472
   99   2HG   PRO  14          1HG       PRO  14  -0.699  13.216   5.564
  100   1HD   PRO  14          2HD       PRO  14  -0.438  15.577   3.751
  101   2HD   PRO  14          1HD       PRO  14   0.221  15.327   5.379
  102    H    LEU  15           H        LEU  15   1.364  14.750   1.591
  103    HA   LEU  15           HA       LEU  15   1.305  13.063  -0.716
  104   1HB   LEU  15          2HB       LEU  15   0.453  15.349  -0.781
  105   2HB   LEU  15          1HB       LEU  15   2.053  15.971  -0.427
  106    HG   LEU  15           HG       LEU  15   2.864  15.072  -2.581
  107   1HD1  LEU  15          1HD1      LEU  15   0.099  14.004  -2.671
  108   2HD1  LEU  15          2HD1      LEU  15   1.607  13.301  -3.256
  109   3HD1  LEU  15          3HD1      LEU  15   0.809  14.572  -4.182
  110   1HD2  LEU  15          1HD2      LEU  15   2.073  17.385  -2.401
  111   2HD2  LEU  15          2HD2      LEU  15   0.447  16.857  -2.832
  112   3HD2  LEU  15          3HD2      LEU  15   1.762  16.707  -3.999
  113    H    GLU  16           H        GLU  16   3.829  14.403   1.284
  114    HA   GLU  16           HA       GLU  16   5.949  14.113  -0.572
  115   1HB   GLU  16          2HB       GLU  16   5.968  14.241   2.444
  116   2HB   GLU  16          1HB       GLU  16   7.418  14.261   1.451
  117   1HG   GLU  16          2HG       GLU  16   6.575  16.314   0.351
  118   2HG   GLU  16          1HG       GLU  16   5.219  16.314   1.477
  119    H    GLN  17           H        GLN  17   5.082  12.099   2.255
  120    HA   GLN  17           HA       GLN  17   6.967  10.094   1.754
  121   1HB   GLN  17          2HB       GLN  17   4.321   9.918   3.190
  122   2HB   GLN  17          1HB       GLN  17   5.575   8.686   3.245
  123   1HG   GLN  17          2HG       GLN  17   5.788  11.514   4.243
  124   2HG   GLN  17          1HG       GLN  17   5.675  10.050   5.222
  125   1HE2  GLN  17          1HE2      GLN  17   7.745  12.312   4.187
  126   2HE2  GLN  17          2HE2      GLN  17   9.220  11.414   4.193
  127    H    VAL  18           H        VAL  18   3.449   9.953   1.103
  128    HA   VAL  18           HA       VAL  18   3.338   7.541  -0.185
  129    HB   VAL  18           HB       VAL  18   1.358   8.961   0.274
  130   1HG1  VAL  18          1HG1      VAL  18   2.100  10.443  -2.241
  131   2HG1  VAL  18          2HG1      VAL  18   2.347  11.069  -0.611
  132   3HG1  VAL  18          3HG1      VAL  18   0.715  10.740  -1.190
  133   1HG2  VAL  18          1HG2      VAL  18   1.599   8.020  -2.582
  134   2HG2  VAL  18          2HG2      VAL  18   0.090   8.327  -1.722
  135   3HG2  VAL  18          3HG2      VAL  18   1.158   7.028  -1.191
  136    H    ASN  19           H        ASN  19   4.452  10.608  -1.470
  137    HA   ASN  19           HA       ASN  19   4.703   9.778  -4.172
  138   1HB   ASN  19          2HB       ASN  19   4.543  12.130  -3.599
  139   2HB   ASN  19          1HB       ASN  19   6.017  12.029  -2.643
  140   1HD2  ASN  19          1HD2      ASN  19   4.789  12.983  -5.514
  141   2HD2  ASN  19          2HD2      ASN  19   6.226  12.945  -6.467
  142    H    ALA  20           H        ALA  20   6.782   9.644  -1.368
  143    HA   ALA  20           HA       ALA  20   9.255   9.217  -2.548
  144   1HB   ALA  20          1HB       ALA  20   8.316   9.244   0.020
  145   2HB   ALA  20          2HB       ALA  20   9.964   8.833  -0.456
  146   3HB   ALA  20          3HB       ALA  20   8.779   7.555  -0.189
  147    H    ALA  21           H        ALA  21   6.733   6.854  -1.705
  148    HA   ALA  21           HA       ALA  21   8.221   4.640  -2.748
  149   1HB   ALA  21          1HB       ALA  21   6.713   3.709  -1.363
  150   2HB   ALA  21          2HB       ALA  21   5.634   3.772  -2.755
  151   3HB   ALA  21          3HB       ALA  21   5.577   5.046  -1.538
  152    H    LEU  22           H        LEU  22   6.105   7.052  -4.012
  153    HA   LEU  22           HA       LEU  22   5.297   5.727  -6.387
  154   1HB   LEU  22          2HB       LEU  22   5.170   8.446  -5.281
  155   2HB   LEU  22          1HB       LEU  22   5.253   8.388  -7.029
  156    HG   LEU  22           HG       LEU  22   2.938   8.497  -6.126
  157   1HD1  LEU  22          1HD1      LEU  22   3.205   5.852  -7.471
  158   2HD1  LEU  22          2HD1      LEU  22   3.744   7.304  -8.316
  159   3HD1  LEU  22          3HD1      LEU  22   2.069   7.165  -7.781
  160   1HD2  LEU  22          1HD2      LEU  22   2.852   7.272  -4.183
  161   2HD2  LEU  22          2HD2      LEU  22   3.804   5.946  -4.848
  162   3HD2  LEU  22          3HD2      LEU  22   2.120   6.152  -5.331
  163    H    LYS  23           H        LYS  23   8.193   7.322  -5.397
  164    HA   LYS  23           HA       LYS  23   9.209   7.779  -8.049
  165   1HB   LYS  23          2HB       LYS  23  10.648   7.729  -5.386
  166   2HB   LYS  23          1HB       LYS  23  11.337   8.287  -6.903
  167   1HG   LYS  23          2HG       LYS  23   9.623  10.063  -6.985
  168   2HG   LYS  23          1HG       LYS  23   9.036   9.528  -5.407
  169   1HD   LYS  23          2HD       LYS  23  11.261   9.973  -4.452
  170   2HD   LYS  23          1HD       LYS  23  11.809  10.547  -6.027
  171   1HE   LYS  23          2HE       LYS  23   9.611  11.748  -4.348
  172   2HE   LYS  23          1HE       LYS  23  11.223  12.418  -4.595
  173   1HZ   LYS  23          1HZ       LYS  23  10.472  13.441  -6.391
  174   2HZ   LYS  23          2HZ       LYS  23   8.935  12.768  -6.175
  175   3HZ   LYS  23          3HZ       LYS  23  10.092  11.954  -7.104
  176    H    ALA  24           H        ALA  24   9.729   5.399  -5.472
  177    HA   ALA  24           HA       ALA  24  11.611   3.847  -6.978
  178   1HB   ALA  24          1HB       ALA  24  10.849   3.962  -4.327
  179   2HB   ALA  24          2HB       ALA  24  11.930   2.767  -5.044
  180   3HB   ALA  24          3HB       ALA  24  10.213   2.409  -4.866
  181    H    LEU  25           H        LEU  25   8.259   3.212  -5.949
  182    HA   LEU  25           HA       LEU  25   7.860   0.894  -7.443
  183   1HB   LEU  25          2HB       LEU  25   6.370   1.855  -5.628
  184   2HB   LEU  25          1HB       LEU  25   5.738   2.951  -6.843
  185    HG   LEU  25           HG       LEU  25   4.987   0.983  -8.167
  186   1HD1  LEU  25          1HD1      LEU  25   4.929  -0.953  -6.101
  187   2HD1  LEU  25          2HD1      LEU  25   6.596  -0.409  -6.287
  188   3HD1  LEU  25          3HD1      LEU  25   5.717  -1.050  -7.676
  189   1HD2  LEU  25          1HD2      LEU  25   3.826   0.795  -5.418
  190   2HD2  LEU  25          2HD2      LEU  25   3.014   0.729  -6.982
  191   3HD2  LEU  25          3HD2      LEU  25   3.635   2.264  -6.375
  192    H    GLY  26           H        GLY  26   7.512   4.293  -8.289
  193   1HA   GLY  26          2HA       GLY  26   6.200   4.079 -10.733
  194   2HA   GLY  26          1HA       GLY  26   7.368   5.334 -10.334
  195    H    ASP  27           H        ASP  27   9.682   3.942 -10.050
  196    HA   ASP  27           HA       ASP  27  10.021   2.528 -12.607
  197   1HB   ASP  27          2HB       ASP  27  10.873   4.817 -12.860
  198   2HB   ASP  27          1HB       ASP  27  11.892   4.604 -11.439
  199    H    ILE  28           H        ILE  28  10.238   0.522 -11.836
  200    HA   ILE  28           HA       ILE  28  12.268   0.015  -9.759
  201    HB   ILE  28           HB       ILE  28  10.095  -1.902 -10.580
  202   1HG1  ILE  28          2HG1      ILE  28  10.015   0.197  -8.400
  203   2HG1  ILE  28          1HG1      ILE  28   8.980   0.123  -9.821
  204   1HG2  ILE  28          1HG2      ILE  28  10.498  -2.877  -8.364
  205   2HG2  ILE  28          2HG2      ILE  28  11.784  -1.698  -8.097
  206   3HG2  ILE  28          3HG2      ILE  28  11.939  -2.897  -9.381
  207   1HD1  ILE  28          1HD1      ILE  28   8.029  -0.649  -7.578
  208   2HD1  ILE  28          2HD1      ILE  28   9.012  -2.096  -7.813
  209   3HD1  ILE  28          3HD1      ILE  28   7.765  -1.675  -8.989
  210    HA   PRO  29           HA       PRO  29  15.297  -2.009 -12.257
  211   1HB   PRO  29          2HB       PRO  29  14.138  -4.410 -10.876
  212   2HB   PRO  29          1HB       PRO  29  15.820  -4.045 -11.247
  213   1HG   PRO  29          2HG       PRO  29  14.675  -3.523  -8.825
  214   2HG   PRO  29          1HG       PRO  29  16.045  -2.610  -9.480
  215   1HD   PRO  29          2HD       PRO  29  13.374  -1.679  -8.978
  216   2HD   PRO  29          1HD       PRO  29  14.742  -0.767  -9.642
  217    H    GLU  30           H        GLU  30  12.131  -3.746 -12.091
  218    HA   GLU  30           HA       GLU  30  12.325  -4.064 -15.005
  219   1HB   GLU  30          2HB       GLU  30  11.653  -6.308 -13.101
  220   2HB   GLU  30          1HB       GLU  30  11.596  -6.403 -14.856
  221   1HG   GLU  30          2HG       GLU  30  13.995  -6.011 -14.967
  222   2HG   GLU  30          1HG       GLU  30  14.063  -5.882 -13.210
  223    H    SER  31           H        SER  31  10.260  -3.920 -12.157
  224    HA   SER  31           HA       SER  31   7.829  -4.389 -13.580
  225   1HB   SER  31          2HB       SER  31   6.708  -3.636 -11.529
  226   2HB   SER  31          1HB       SER  31   7.983  -4.802 -11.180
  227    HG   SER  31           HG       SER  31   8.976  -3.338 -10.066
  228    H    HIS  32           H        HIS  32   6.022  -2.559 -12.983
  229    HA   HIS  32           HA       HIS  32   6.786   0.139 -13.424
  230   1HB   HIS  32          2HB       HIS  32   7.297  -0.607 -15.670
  231   2HB   HIS  32          1HB       HIS  32   5.714  -1.360 -15.822
  232    HD1  HIS  32           1HD      HIS  32   6.966   2.152 -15.015
  233    HD2  HIS  32           2HD      HIS  32   4.077   0.208 -17.282
  234    HE1  HIS  32           1HE      HIS  32   5.712   3.975 -16.212
  235    HE2  HIS  32           2HE      HIS  32   4.034   2.768 -17.651
  236    H    ILE  33           H        ILE  33   5.160   1.513 -12.984
  237    HA   ILE  33           HA       ILE  33   2.874   0.653 -11.661
  238    HB   ILE  33           HB       ILE  33   3.654   3.287 -12.857
  239   1HG1  ILE  33          2HG1      ILE  33   4.801   2.542 -10.827
  240   2HG1  ILE  33          1HG1      ILE  33   3.793   3.946 -10.492
  241   1HG2  ILE  33          1HG2      ILE  33   1.078   2.678 -11.411
  242   2HG2  ILE  33          2HG2      ILE  33   1.257   3.273 -13.061
  243   3HG2  ILE  33          3HG2      ILE  33   1.703   4.301 -11.700
  244   1HD1  ILE  33          1HD1      ILE  33   2.791   2.838  -8.870
  245   2HD1  ILE  33          2HD1      ILE  33   3.802   1.433  -9.207
  246   3HD1  ILE  33          3HD1      ILE  33   2.248   1.617 -10.020
  247    H    LEU  34           H        LEU  34   0.693   0.622 -12.157
  248    HA   LEU  34           HA       LEU  34  -0.063   0.815 -14.988
  249   1HB   LEU  34          2HB       LEU  34  -0.800  -1.434 -13.111
  250   2HB   LEU  34          1HB       LEU  34  -1.494  -1.195 -14.702
  251    HG   LEU  34           HG       LEU  34   1.412  -1.787 -14.132
  252   1HD1  LEU  34          1HD1      LEU  34   0.887  -3.946 -15.237
  253   2HD1  LEU  34          2HD1      LEU  34  -0.820  -3.505 -15.202
  254   3HD1  LEU  34          3HD1      LEU  34   0.065  -3.724 -13.692
  255   1HD2  LEU  34          1HD2      LEU  34   0.674  -0.373 -16.209
  256   2HD2  LEU  34          2HD2      LEU  34   0.148  -1.937 -16.830
  257   3HD2  LEU  34          3HD2      LEU  34   1.837  -1.686 -16.390
  258    H    THR  35           H        THR  35  -1.712  -0.086 -11.955
  259    HA   THR  35           HA       THR  35  -3.653   2.068 -12.473
  260    HB   THR  35           HB       THR  35  -5.185   0.702 -10.989
  261    HG1  THR  35           1HG      THR  35  -3.716  -1.567 -11.527
  262   1HG2  THR  35          1HG2      THR  35  -4.242  -0.299 -13.639
  263   2HG2  THR  35          2HG2      THR  35  -5.763   0.486 -13.212
  264   3HG2  THR  35          3HG2      THR  35  -5.467  -1.184 -12.730
  265    H    VAL  36           H        VAL  36  -3.359   3.774 -11.219
  266    HA   VAL  36           HA       VAL  36  -2.944   3.423  -8.353
  267    HB   VAL  36           HB       VAL  36  -1.095   5.111 -10.050
  268   1HG1  VAL  36          1HG1      VAL  36  -1.832   5.272  -7.257
  269   2HG1  VAL  36          2HG1      VAL  36  -0.874   6.383  -8.238
  270   3HG1  VAL  36          3HG1      VAL  36  -0.102   5.000  -7.463
  271   1HG2  VAL  36          1HG2      VAL  36  -0.678   2.627 -10.005
  272   2HG2  VAL  36          2HG2      VAL  36  -0.374   2.790  -8.276
  273   3HG2  VAL  36          3HG2      VAL  36   0.655   3.633  -9.435
  274    H    SER  37           H        SER  37  -4.566   4.566  -7.484
  275    HA   SER  37           HA       SER  37  -4.831   7.296  -7.543
  276   1HB   SER  37          2HB       SER  37  -5.334   7.148  -9.941
  277   2HB   SER  37          1HB       SER  37  -6.669   6.047  -9.603
  278    HG   SER  37           HG       SER  37  -6.508   8.790  -9.299
  279    H    SER  38           H        SER  38  -5.523   7.187  -5.472
  280    HA   SER  38           HA       SER  38  -8.194   6.949  -4.830
  281   1HB   SER  38          2HB       SER  38  -8.284   4.772  -3.641
  282   2HB   SER  38          1HB       SER  38  -8.038   4.580  -5.378
  283    HG   SER  38           HG       SER  38  -6.156   4.306  -3.291
  284    H    PHE  39           H        PHE  39  -6.915   8.831  -3.884
  285    HA   PHE  39           HA       PHE  39  -5.447   8.217  -1.457
  286   1HB   PHE  39          2HB       PHE  39  -6.145  10.841  -2.783
  287   2HB   PHE  39          1HB       PHE  39  -5.225  10.716  -1.288
  288    HD1  PHE  39           1HD      PHE  39  -5.099   8.937  -4.580
  289    HD2  PHE  39           2HD      PHE  39  -3.016  11.183  -1.625
  290    HE1  PHE  39           1HE      PHE  39  -3.020   8.708  -5.876
  291    HE2  PHE  39           2HE      PHE  39  -0.935  10.959  -2.916
  292    HZ   PHE  39           HZ       PHE  39  -0.935   9.720  -5.045
  293    H    TYR  40           H        TYR  40  -6.978   7.338  -0.055
  294    HA   TYR  40           HA       TYR  40  -9.278   9.009   0.649
  295   1HB   TYR  40          2HB       TYR  40  -8.612   6.152   1.376
  296   2HB   TYR  40          1HB       TYR  40 -10.032   7.018   1.954
  297    HD1  TYR  40           1HD      TYR  40  -8.339   6.012  -1.222
  298    HD2  TYR  40           2HD      TYR  40 -12.002   6.887   0.756
  299    HE1  TYR  40           1HE      TYR  40  -9.583   5.314  -3.224
  300    HE2  TYR  40           2HE      TYR  40 -13.254   6.189  -1.240
  301    HH   TYR  40           HH       TYR  40 -13.004   4.879  -3.205
  302    H    ARG  41           H        ARG  41  -9.811   9.350   2.896
  303    HA   ARG  41           HA       ARG  41  -7.425   9.905   4.483
  304   1HB   ARG  41          2HB       ARG  41  -9.077  11.712   4.170
  305   2HB   ARG  41          1HB       ARG  41 -10.306  10.716   4.942
  306   1HG   ARG  41          2HG       ARG  41  -8.873  10.687   6.992
  307   2HG   ARG  41          1HG       ARG  41  -7.827  11.864   6.202
  308   1HD   ARG  41          2HD       ARG  41 -10.759  12.241   6.804
  309   2HD   ARG  41          1HD       ARG  41  -9.429  12.917   7.739
  310    HE   ARG  41           HE       ARG  41  -9.087  14.495   6.081
  311   1HH1  ARG  41          1HH1      ARG  41 -11.487  12.176   5.078
  312   2HH1  ARG  41          2HH1      ARG  41 -11.979  13.095   3.693
  313   1HH2  ARG  41          1HH2      ARG  41  -9.732  15.712   4.271
  314   2HH2  ARG  41          2HH2      ARG  41 -10.979  15.104   3.235
  315    H    THR  42           H        THR  42  -7.343   9.357   6.749
  316    HA   THR  42           HA       THR  42  -9.196   7.409   7.789
  317    HB   THR  42           HB       THR  42  -6.339   6.625   7.188
  318    HG1  THR  42           1HG      THR  42  -8.632   5.211   6.408
  319   1HG2  THR  42          1HG2      THR  42  -6.453   4.859   8.549
  320   2HG2  THR  42          2HG2      THR  42  -8.166   4.587   8.223
  321   3HG2  THR  42          3HG2      THR  42  -7.674   5.808   9.396
  322    HA   PRO  43           HA       PRO  43  -7.587   9.419  11.417
  323   1HB   PRO  43          2HB       PRO  43  -9.289   8.405  13.208
  324   2HB   PRO  43          1HB       PRO  43  -9.839   9.527  11.959
  325   1HG   PRO  43          2HG       PRO  43 -10.149   6.567  12.121
  326   2HG   PRO  43          1HG       PRO  43 -11.272   7.782  11.485
  327   1HD   PRO  43          2HD       PRO  43  -9.537   6.181   9.971
  328   2HD   PRO  43          1HD       PRO  43 -10.382   7.632   9.402
  329    HA   PRO  44           HA       PRO  44  -4.861   5.953  12.610
  330   1HB   PRO  44          2HB       PRO  44  -2.945   7.528  13.730
  331   2HB   PRO  44          1HB       PRO  44  -3.050   7.221  11.993
  332   1HG   PRO  44          2HG       PRO  44  -4.012   9.585  13.558
  333   2HG   PRO  44          1HG       PRO  44  -3.157   9.544  12.005
  334   1HD   PRO  44          2HD       PRO  44  -5.824   9.910  12.164
  335   2HD   PRO  44          1HD       PRO  44  -5.073   9.024  10.822
  336    H    LEU  45           H        LEU  45  -4.952   4.829  14.445
  337    HA   LEU  45           HA       LEU  45  -5.628   6.258  16.926
  338   1HB   LEU  45          2HB       LEU  45  -6.740   4.065  17.594
  339   2HB   LEU  45          1HB       LEU  45  -7.562   5.061  16.412
  340    HG   LEU  45           HG       LEU  45  -6.597   3.580  14.619
  341   1HD1  LEU  45          1HD1      LEU  45  -5.661   2.081  17.034
  342   2HD1  LEU  45          2HD1      LEU  45  -4.776   2.497  15.567
  343   3HD1  LEU  45          3HD1      LEU  45  -6.016   1.244  15.524
  344   1HD2  LEU  45          1HD2      LEU  45  -8.191   1.810  16.370
  345   2HD2  LEU  45          2HD2      LEU  45  -8.438   2.265  14.684
  346   3HD2  LEU  45          3HD2      LEU  45  -8.888   3.381  15.972
  347    H    GLY  46           H        GLY  46  -2.986   5.601  15.889
  348   1HA   GLY  46          2HA       GLY  46  -1.694   4.807  18.193
  349   2HA   GLY  46          1HA       GLY  46  -1.967   3.329  17.284
  350    HA   PRO  47           HA       PRO  47   1.241   3.819  14.245
  351   1HB   PRO  47          2HB       PRO  47  -0.435   5.564  12.485
  352   2HB   PRO  47          1HB       PRO  47   0.594   4.193  12.056
  353   1HG   PRO  47          2HG       PRO  47  -2.059   3.929  12.216
  354   2HG   PRO  47          1HG       PRO  47  -0.967   2.631  12.733
  355   1HD   PRO  47          2HD       PRO  47  -2.631   4.459  14.362
  356   2HD   PRO  47          1HD       PRO  47  -2.035   2.833  14.741
  357    H    GLN  48           H        GLN  48  -0.538   6.933  14.169
  358    HA   GLN  48           HA       GLN  48   1.905   8.261  15.067
  359   1HB   GLN  48          2HB       GLN  48   1.859   8.328  12.588
  360   2HB   GLN  48          1HB       GLN  48   0.319   9.170  12.659
  361   1HG   GLN  48          2HG       GLN  48   2.572  10.362  14.156
  362   2HG   GLN  48          1HG       GLN  48   2.650  10.420  12.397
  363   1HE2  GLN  48          1HE2      GLN  48  -0.527  10.343  13.039
  364   2HE2  GLN  48          2HE2      GLN  48  -0.862  12.032  13.115
  365    H    ASP  49           H        ASP  49  -1.384   7.828  15.250
  366    HA   ASP  49           HA       ASP  49  -2.971   8.665  16.626
  367   1HB   ASP  49          2HB       ASP  49  -1.180   8.968  18.278
  368   2HB   ASP  49          1HB       ASP  49  -0.821  10.554  17.601
  369    H    GLN  50           H        GLN  50  -1.080  11.587  15.780
  370    HA   GLN  50           HA       GLN  50  -3.168  13.335  15.532
  371   1HB   GLN  50          2HB       GLN  50  -0.943  13.468  13.527
  372   2HB   GLN  50          1HB       GLN  50  -1.739  14.778  14.387
  373   1HG   GLN  50          2HG       GLN  50   0.349  12.878  15.388
  374   2HG   GLN  50          1HG       GLN  50   0.399  14.639  15.318
  375   1HE2  GLN  50          1HE2      GLN  50   0.007  12.041  17.293
  376   2HE2  GLN  50          2HE2      GLN  50  -0.797  12.800  18.619
  377    HA   PRO  51           HA       PRO  51  -5.611  11.364  12.331
  378   1HB   PRO  51          2HB       PRO  51  -6.940  14.028  12.411
  379   2HB   PRO  51          1HB       PRO  51  -7.649  12.412  12.500
  380   1HG   PRO  51          2HG       PRO  51  -7.436  13.909  14.686
  381   2HG   PRO  51          1HG       PRO  51  -7.129  12.164  14.752
  382   1HD   PRO  51          2HD       PRO  51  -5.184  14.433  14.739
  383   2HD   PRO  51          1HD       PRO  51  -5.126  12.900  15.635
  384    H    ASP  52           H        ASP  52  -4.312  11.249  10.553
  385    HA   ASP  52           HA       ASP  52  -4.730  13.009   8.426
  386   1HB   ASP  52          2HB       ASP  52  -2.527  14.056   8.186
  387   2HB   ASP  52          1HB       ASP  52  -3.294  14.555   9.689
  388    H    TYR  53           H        TYR  53  -4.646  10.201   9.041
  389    HA   TYR  53           HA       TYR  53  -2.327   9.093   7.730
  390   1HB   TYR  53          2HB       TYR  53  -3.514   7.954   9.612
  391   2HB   TYR  53          1HB       TYR  53  -4.895   7.718   8.550
  392    HD1  TYR  53           1HD      TYR  53  -5.002   5.381   8.397
  393    HD2  TYR  53           2HD      TYR  53  -1.294   7.337   7.697
  394    HE1  TYR  53           1HE      TYR  53  -4.034   3.257   7.628
  395    HE2  TYR  53           2HE      TYR  53  -0.314   5.221   6.922
  396    HH   TYR  53           HH       TYR  53  -2.240   2.409   6.339
  397    H    LEU  54           H        LEU  54  -2.170   9.476   5.611
  398    HA   LEU  54           HA       LEU  54  -4.541   9.285   3.907
  399   1HB   LEU  54          2HB       LEU  54  -3.031  11.252   3.730
  400   2HB   LEU  54          1HB       LEU  54  -1.731  10.186   3.246
  401    HG   LEU  54           HG       LEU  54  -2.836  11.478   1.393
  402   1HD1  LEU  54          1HD1      LEU  54  -3.338   8.749   0.539
  403   2HD1  LEU  54          2HD1      LEU  54  -1.814   8.924   1.407
  404   3HD1  LEU  54          3HD1      LEU  54  -2.133   9.910  -0.019
  405   1HD2  LEU  54          1HD2      LEU  54  -4.993   9.899   0.742
  406   2HD2  LEU  54          2HD2      LEU  54  -5.060  11.528   1.412
  407   3HD2  LEU  54          3HD2      LEU  54  -5.168  10.130   2.481
  408    H    ASN  55           H        ASN  55  -4.708   7.814   2.213
  409    HA   ASN  55           HA       ASN  55  -2.563   5.846   1.912
  410   1HB   ASN  55          2HB       ASN  55  -5.448   5.115   2.451
  411   2HB   ASN  55          1HB       ASN  55  -4.162   3.979   2.056
  412   1HD2  ASN  55          1HD2      ASN  55  -5.907   5.228   4.510
  413   2HD2  ASN  55          2HD2      ASN  55  -4.813   4.967   5.819
  414    H    ALA  56           H        ALA  56  -2.508   4.791  -0.066
  415    HA   ALA  56           HA       ALA  56  -4.489   5.566  -2.078
  416   1HB   ALA  56          1HB       ALA  56  -2.624   5.998  -3.696
  417   2HB   ALA  56          2HB       ALA  56  -1.513   5.960  -2.326
  418   3HB   ALA  56          3HB       ALA  56  -2.775   7.189  -2.404
  419    H    ALA  57           H        ALA  57  -4.278   4.259  -4.086
  420    HA   ALA  57           HA       ALA  57  -3.346   1.545  -3.427
  421   1HB   ALA  57          1HB       ALA  57  -5.772   1.715  -3.673
  422   2HB   ALA  57          2HB       ALA  57  -5.062   0.694  -4.922
  423   3HB   ALA  57          3HB       ALA  57  -5.561   2.341  -5.307
  424    H    VAL  58           H        VAL  58  -1.933   0.552  -4.700
  425    HA   VAL  58           HA       VAL  58  -1.367   1.620  -7.354
  426    HB   VAL  58           HB       VAL  58   1.074   1.282  -6.920
  427   1HG1  VAL  58          1HG1      VAL  58  -0.596   3.373  -5.686
  428   2HG1  VAL  58          2HG1      VAL  58   0.731   3.511  -6.839
  429   3HG1  VAL  58          3HG1      VAL  58   1.074   3.290  -5.122
  430   1HG2  VAL  58          1HG2      VAL  58   0.626   1.441  -3.996
  431   2HG2  VAL  58          2HG2      VAL  58   1.936   0.686  -4.905
  432   3HG2  VAL  58          3HG2      VAL  58   0.378  -0.127  -4.764
  433    H    ALA  59           H        ALA  59  -1.321   0.044  -8.799
  434    HA   ALA  59           HA       ALA  59  -0.650  -2.675  -7.950
  435   1HB   ALA  59          1HB       ALA  59  -2.582  -3.612  -8.663
  436   2HB   ALA  59          2HB       ALA  59  -2.775  -2.462  -9.987
  437   3HB   ALA  59          3HB       ALA  59  -3.234  -2.004  -8.347
  438    H    LEU  60           H        LEU  60   1.305  -2.550  -8.889
  439    HA   LEU  60           HA       LEU  60   1.347  -2.008 -11.785
  440   1HB   LEU  60          2HB       LEU  60   3.280  -0.912 -11.564
  441   2HB   LEU  60          1HB       LEU  60   2.843  -0.808  -9.873
  442    HG   LEU  60           HG       LEU  60   4.608  -2.980 -11.006
  443   1HD1  LEU  60          1HD1      LEU  60   5.957  -1.155 -11.332
  444   2HD1  LEU  60          2HD1      LEU  60   6.344  -1.551  -9.657
  445   3HD1  LEU  60          3HD1      LEU  60   5.221  -0.240 -10.016
  446   1HD2  LEU  60          1HD2      LEU  60   5.263  -3.218  -8.621
  447   2HD2  LEU  60          2HD2      LEU  60   3.579  -3.631  -8.941
  448   3HD2  LEU  60          3HD2      LEU  60   3.980  -2.082  -8.201
  449    H    GLU  61           H        GLU  61   2.578  -3.306 -13.169
  450    HA   GLU  61           HA       GLU  61   2.502  -6.089 -12.463
  451   1HB   GLU  61          2HB       GLU  61   3.362  -6.419 -14.790
  452   2HB   GLU  61          1HB       GLU  61   1.868  -5.498 -14.701
  453   1HG   GLU  61          2HG       GLU  61   3.142  -3.422 -14.962
  454   2HG   GLU  61          1HG       GLU  61   4.630  -4.362 -15.080
  455    H    THR  62           H        THR  62   4.029  -6.760 -11.077
  456    HA   THR  62           HA       THR  62   6.701  -5.715 -11.205
  457    HB   THR  62           HB       THR  62   7.112  -7.154  -9.251
  458    HG1  THR  62           1HG      THR  62   5.218  -8.600 -10.143
  459   1HG2  THR  62          1HG2      THR  62   5.358  -6.217  -7.711
  460   2HG2  THR  62          2HG2      THR  62   4.648  -5.450  -9.133
  461   3HG2  THR  62          3HG2      THR  62   6.292  -5.042  -8.638
  462    H    SER  63           H        SER  63   8.512  -7.187 -11.076
  463    HA   SER  63           HA       SER  63   8.245  -9.723 -12.495
  464   1HB   SER  63          2HB       SER  63  10.059  -7.462 -13.399
  465   2HB   SER  63          1HB       SER  63  10.131  -9.113 -14.018
  466    HG   SER  63           HG       SER  63   7.818  -7.476 -14.138
  467    H    LEU  64           H        LEU  64   9.000  -8.099  -9.999
  468    HA   LEU  64           HA       LEU  64  11.232  -9.774  -9.159
  469   1HB   LEU  64          2HB       LEU  64  12.007  -7.628  -7.911
  470   2HB   LEU  64          1HB       LEU  64  12.422  -7.835  -9.603
  471    HG   LEU  64           HG       LEU  64  10.023  -6.499  -9.769
  472   1HD1  LEU  64          1HD1      LEU  64   9.855  -4.843  -8.174
  473   2HD1  LEU  64          2HD1      LEU  64  11.525  -5.034  -7.639
  474   3HD1  LEU  64          3HD1      LEU  64  10.316  -6.244  -7.208
  475   1HD2  LEU  64          1HD2      LEU  64  12.608  -4.997  -9.556
  476   2HD2  LEU  64          2HD2      LEU  64  11.271  -4.776 -10.684
  477   3HD2  LEU  64          3HD2      LEU  64  12.352  -6.159 -10.859
  478    H    ALA  65           H        ALA  65  10.021 -11.002  -7.830
  479    HA   ALA  65           HA       ALA  65   7.794 -10.615  -6.449
  480   1HB   ALA  65          1HB       ALA  65  10.275 -12.019  -5.504
  481   2HB   ALA  65          2HB       ALA  65   8.853 -12.711  -6.284
  482   3HB   ALA  65          3HB       ALA  65   8.742 -12.095  -4.635
  483    HA   PRO  66           HA       PRO  66   7.684  -7.127  -3.744
  484   1HB   PRO  66          2HB       PRO  66   6.811  -9.316  -1.881
  485   2HB   PRO  66          1HB       PRO  66   6.181  -7.669  -2.038
  486   1HG   PRO  66          2HG       PRO  66   4.929  -9.674  -3.221
  487   2HG   PRO  66          1HG       PRO  66   5.131  -8.118  -4.042
  488   1HD   PRO  66          2HD       PRO  66   6.453 -10.717  -4.574
  489   2HD   PRO  66          1HD       PRO  66   6.162  -9.354  -5.674
  490    H    GLU  67           H        GLU  67   9.358 -10.076  -2.839
  491    HA   GLU  67           HA       GLU  67  10.586  -9.237  -0.488
  492   1HB   GLU  67          2HB       GLU  67  12.571 -10.672  -1.542
  493   2HB   GLU  67          1HB       GLU  67  11.098 -11.432  -0.954
  494   1HG   GLU  67          2HG       GLU  67  10.192 -11.449  -3.220
  495   2HG   GLU  67          1HG       GLU  67  11.667 -10.688  -3.812
  496    H    GLU  68           H        GLU  68  11.697  -8.939  -3.825
  497    HA   GLU  68           HA       GLU  68  13.744  -7.034  -3.156
  498   1HB   GLU  68          2HB       GLU  68  14.510  -8.198  -4.946
  499   2HB   GLU  68          1HB       GLU  68  12.894  -8.575  -5.517
  500   1HG   GLU  68          2HG       GLU  68  12.690  -6.535  -6.631
  501   2HG   GLU  68          1HG       GLU  68  14.096  -5.847  -5.815
  502    H    LEU  69           H        LEU  69  10.535  -6.978  -4.692
  503    HA   LEU  69           HA       LEU  69  10.529  -4.333  -5.582
  504   1HB   LEU  69          2HB       LEU  69   8.664  -5.316  -6.369
  505   2HB   LEU  69          1HB       LEU  69   8.486  -6.369  -4.988
  506    HG   LEU  69           HG       LEU  69   7.608  -4.274  -3.750
  507   1HD1  LEU  69          1HD1      LEU  69   6.440  -2.902  -5.795
  508   2HD1  LEU  69          2HD1      LEU  69   8.048  -3.231  -6.439
  509   3HD1  LEU  69          3HD1      LEU  69   7.870  -2.387  -4.902
  510   1HD2  LEU  69          1HD2      LEU  69   6.314  -6.285  -4.892
  511   2HD2  LEU  69          2HD2      LEU  69   5.740  -4.998  -5.951
  512   3HD2  LEU  69          3HD2      LEU  69   5.455  -4.903  -4.213
  513    H    LEU  70           H        LEU  70   9.246  -5.586  -2.512
  514    HA   LEU  70           HA       LEU  70   8.583  -3.186  -1.317
  515   1HB   LEU  70          2HB       LEU  70   9.675  -5.675  -0.000
  516   2HB   LEU  70          1HB       LEU  70   8.871  -4.363   0.841
  517    HG   LEU  70           HG       LEU  70   7.562  -6.064  -1.282
  518   1HD1  LEU  70          1HD1      LEU  70   7.896  -7.561   0.464
  519   2HD1  LEU  70          2HD1      LEU  70   6.287  -6.913   0.784
  520   3HD1  LEU  70          3HD1      LEU  70   7.674  -6.322   1.698
  521   1HD2  LEU  70          1HD2      LEU  70   5.827  -4.747   0.601
  522   2HD2  LEU  70          2HD2      LEU  70   5.837  -4.671  -1.163
  523   3HD2  LEU  70          3HD2      LEU  70   6.859  -3.579  -0.227
  524    H    ASN  71           H        ASN  71  11.715  -4.859  -1.420
  525    HA   ASN  71           HA       ASN  71  13.127  -3.292   0.366
  526   1HB   ASN  71          2HB       ASN  71  13.936  -4.781  -2.100
  527   2HB   ASN  71          1HB       ASN  71  15.111  -3.744  -1.296
  528   1HD2  ASN  71          1HD2      ASN  71  14.335  -6.805  -1.581
  529   2HD2  ASN  71          2HD2      ASN  71  14.691  -7.395   0.003
  530    H    HIS  72           H        HIS  72  12.413  -2.589  -3.051
  531    HA   HIS  72           HA       HIS  72  13.975  -0.204  -3.107
  532   1HB   HIS  72          2HB       HIS  72  11.860  -1.314  -4.943
  533   2HB   HIS  72          1HB       HIS  72  12.679   0.214  -5.249
  534    HD1  HIS  72           1HD      HIS  72  15.408  -0.027  -5.382
  535    HD2  HIS  72           2HD      HIS  72  13.162  -3.475  -5.917
  536    HE1  HIS  72           1HE      HIS  72  16.950  -1.662  -6.509
  537    HE2  HIS  72           2HE      HIS  72  15.591  -3.770  -6.756
  538    H    THR  73           H        THR  73  10.486  -0.836  -2.782
  539    HA   THR  73           HA       THR  73   9.652   1.834  -2.754
  540    HB   THR  73           HB       THR  73   7.650   1.006  -1.570
  541    HG1  THR  73           1HG      THR  73   7.639  -1.323  -1.171
  542   1HG2  THR  73          1HG2      THR  73   8.310  -1.139  -3.529
  543   2HG2  THR  73          2HG2      THR  73   8.115   0.528  -4.070
  544   3HG2  THR  73          3HG2      THR  73   6.786  -0.295  -3.253
  545    H    GLN  74           H        GLN  74  10.306  -0.315  -0.006
  546    HA   GLN  74           HA       GLN  74  10.176   1.733   1.950
  547   1HB   GLN  74          2HB       GLN  74  11.418  -1.021   2.087
  548   2HB   GLN  74          1HB       GLN  74  11.118   0.024   3.467
  549   1HG   GLN  74          2HG       GLN  74   8.730  -0.092   3.069
  550   2HG   GLN  74          1HG       GLN  74   9.001  -1.080   1.636
  551   1HE2  GLN  74          1HE2      GLN  74  11.297  -2.016   3.768
  552   2HE2  GLN  74          2HE2      GLN  74  10.476  -3.325   4.535
  553    H    ARG  75           H        ARG  75  12.470   0.980  -0.372
  554    HA   ARG  75           HA       ARG  75  14.863   1.554   1.078
  555   1HB   ARG  75          2HB       ARG  75  15.031   0.322  -0.978
  556   2HB   ARG  75          1HB       ARG  75  14.203   1.585  -1.871
  557   1HG   ARG  75          2HG       ARG  75  16.084   3.051  -1.654
  558   2HG   ARG  75          1HG       ARG  75  16.901   1.907  -0.584
  559   1HD   ARG  75          2HD       ARG  75  17.143   0.316  -2.337
  560   2HD   ARG  75          1HD       ARG  75  16.089   1.237  -3.409
  561    HE   ARG  75           HE       ARG  75  18.867   1.568  -3.111
  562   1HH1  ARG  75          1HH1      ARG  75  15.951   3.460  -3.423
  563   2HH1  ARG  75          2HH1      ARG  75  16.759   4.817  -4.135
  564   1HH2  ARG  75          1HH2      ARG  75  19.931   3.349  -4.048
  565   2HH2  ARG  75          2HH2      ARG  75  19.019   4.754  -4.492
  566    H    ILE  76           H        ILE  76  12.716   3.396  -1.026
  567    HA   ILE  76           HA       ILE  76  14.133   5.823  -0.801
  568    HB   ILE  76           HB       ILE  76  11.267   5.289  -1.564
  569   1HG1  ILE  76          2HG1      ILE  76  13.834   5.752  -3.079
  570   2HG1  ILE  76          1HG1      ILE  76  12.741   4.376  -3.185
  571   1HG2  ILE  76          1HG2      ILE  76  12.759   7.871  -1.973
  572   2HG2  ILE  76          2HG2      ILE  76  11.692   7.590  -0.596
  573   3HG2  ILE  76          3HG2      ILE  76  11.045   7.548  -2.237
  574   1HD1  ILE  76          1HD1      ILE  76  12.715   5.970  -5.126
  575   2HD1  ILE  76          2HD1      ILE  76  11.964   7.146  -4.047
  576   3HD1  ILE  76          3HD1      ILE  76  11.147   5.623  -4.397
  577    H    GLU  77           H        GLU  77  11.187   4.635   0.898
  578    HA   GLU  77           HA       GLU  77  10.974   6.924   2.529
  579   1HB   GLU  77          2HB       GLU  77   9.497   5.666   3.962
  580   2HB   GLU  77          1HB       GLU  77   9.106   5.345   2.289
  581   1HG   GLU  77          2HG       GLU  77   8.925   3.302   3.379
  582   2HG   GLU  77          1HG       GLU  77  10.465   3.211   2.537
  583    H    LEU  78           H        LEU  78  13.150   4.285   2.603
  584    HA   LEU  78           HA       LEU  78  13.833   4.355   5.356
  585   1HB   LEU  78          2HB       LEU  78  14.482   2.496   3.881
  586   2HB   LEU  78          1HB       LEU  78  15.513   3.576   2.964
  587    HG   LEU  78           HG       LEU  78  16.905   3.916   4.993
  588   1HD1  LEU  78          1HD1      LEU  78  15.009   1.881   6.136
  589   2HD1  LEU  78          2HD1      LEU  78  15.397   3.484   6.763
  590   3HD1  LEU  78          3HD1      LEU  78  16.605   2.200   6.817
  591   1HD2  LEU  78          1HD2      LEU  78  18.115   2.352   3.987
  592   2HD2  LEU  78          2HD2      LEU  78  16.667   1.539   3.390
  593   3HD2  LEU  78          3HD2      LEU  78  17.300   1.152   4.990
  594    H    GLN  79           H        GLN  79  14.786   6.150   2.518
  595    HA   GLN  79           HA       GLN  79  16.504   7.884   4.182
  596   1HB   GLN  79          2HB       GLN  79  16.574   7.588   1.175
  597   2HB   GLN  79          1HB       GLN  79  17.727   8.450   2.182
  598   1HG   GLN  79          2HG       GLN  79  17.263   5.484   2.344
  599   2HG   GLN  79          1HG       GLN  79  18.494   6.232   1.332
  600   1HE2  GLN  79          1HE2      GLN  79  18.419   8.241   3.829
  601   2HE2  GLN  79          2HE2      GLN  79  19.582   7.508   4.873
  602    H    GLN  80           H        GLN  80  13.481   7.752   2.985
  603    HA   GLN  80           HA       GLN  80  13.353  10.660   2.534
  604   1HB   GLN  80          2HB       GLN  80  11.963   8.435   1.046
  605   2HB   GLN  80          1HB       GLN  80  11.303  10.069   1.070
  606   1HG   GLN  80          2HG       GLN  80  14.058   9.322   0.113
  607   2HG   GLN  80          1HG       GLN  80  12.662   9.634  -0.920
  608   1HE2  GLN  80          1HE2      GLN  80  15.405  10.955   0.221
  609   2HE2  GLN  80          2HE2      GLN  80  14.993  12.630   0.146
  610    H    GLY  81           H        GLY  81  12.441   8.206   4.561
  611   1HA   GLY  81          2HA       GLY  81  10.334   9.887   5.701
  612   2HA   GLY  81          1HA       GLY  81   9.913   8.232   5.287
  613    H    ARG  82           H        ARG  82  13.014   7.965   6.121
  614    HA   ARG  82           HA       ARG  82  12.367   7.505   8.957
  615   1HB   ARG  82          2HB       ARG  82  14.324   6.054   7.166
  616   2HB   ARG  82          1HB       ARG  82  14.168   5.777   8.896
  617   1HG   ARG  82          2HG       ARG  82  11.952   5.378   6.896
  618   2HG   ARG  82          1HG       ARG  82  13.000   4.098   7.507
  619   1HD   ARG  82          2HD       ARG  82  11.159   5.830   9.157
  620   2HD   ARG  82          1HD       ARG  82  10.873   4.149   8.705
  621    HE   ARG  82           HE       ARG  82  13.330   4.303  10.037
  622   1HH1  ARG  82          1HH1      ARG  82   9.928   4.683  10.685
  623   2HH1  ARG  82          2HH1      ARG  82  10.063   4.222  12.349
  624   1HH2  ARG  82          1HH2      ARG  82  13.515   3.693  12.228
  625   2HH2  ARG  82          2HH2      ARG  82  12.101   3.660  13.226
  626    H    VAL  83           H        VAL  83  15.617   7.140   7.908
  627    HA   VAL  83           HA       VAL  83  17.493   8.111   8.833
  628    HB   VAL  83           HB       VAL  83  17.925  10.319   7.799
  629   1HG1  VAL  83          1HG1      VAL  83  16.604   8.591   5.746
  630   2HG1  VAL  83          2HG1      VAL  83  18.031   8.027   6.616
  631   3HG1  VAL  83          3HG1      VAL  83  18.114   9.493   5.640
  632   1HG2  VAL  83          1HG2      VAL  83  16.263  11.341   6.347
  633   2HG2  VAL  83          2HG2      VAL  83  15.657  11.246   8.000
  634   3HG2  VAL  83          3HG2      VAL  83  15.090  10.099   6.787
  635    H    ARG  84           H        ARG  84  17.395  11.206   9.105
  636    HA   ARG  84           HA       ARG  84  15.809  11.748  11.394
  637   1HB   ARG  84          2HB       ARG  84  17.647  11.981  13.027
  638   2HB   ARG  84          1HB       ARG  84  17.422  10.314  12.514
  639   1HG   ARG  84          2HG       ARG  84  19.317  10.536  10.979
  640   2HG   ARG  84          1HG       ARG  84  19.548  12.199  11.517
  641   1HD   ARG  84          2HD       ARG  84  19.953  11.399  13.797
  642   2HD   ARG  84          1HD       ARG  84  19.728   9.737  13.252
  643    HE   ARG  84           HE       ARG  84  22.106  11.220  13.100
  644   1HH1  ARG  84          1HH1      ARG  84  20.178   9.053  11.163
  645   2HH1  ARG  84          2HH1      ARG  84  21.527   8.469  10.248
  646   1HH2  ARG  84          1HH2      ARG  84  23.884  10.455  11.897
  647   2HH2  ARG  84          2HH2      ARG  84  23.630   9.264  10.665
  648    H    LYS  85           H        LYS  85  18.301  12.514   9.145
  649    HA   LYS  85           HA       LYS  85  18.429  15.310   9.951
  650   1HB   LYS  85          2HB       LYS  85  20.146  15.531   8.234
  651   2HB   LYS  85          1HB       LYS  85  20.500  14.158   9.272
  652   1HG   LYS  85          2HG       LYS  85  19.636  12.635   7.581
  653   2HG   LYS  85          1HG       LYS  85  19.241  14.005   6.540
  654   1HD   LYS  85          2HD       LYS  85  21.639  14.620   6.509
  655   2HD   LYS  85          1HD       LYS  85  21.993  13.178   7.464
  656   1HE   LYS  85          2HE       LYS  85  20.730  13.215   4.725
  657   2HE   LYS  85          1HE       LYS  85  22.412  12.816   5.076
  658   1HZ   LYS  85          1HZ       LYS  85  21.336  11.055   6.625
  659   2HZ   LYS  85          2HZ       LYS  85  21.447  10.754   4.964
  660   3HZ   LYS  85          3HZ       LYS  85  19.979  11.262   5.633
  661    H    ALA  86           H        ALA  86  16.903  13.270   7.621
  662    HA   ALA  86           HA       ALA  86  15.983  15.581   6.065
  663   1HB   ALA  86          1HB       ALA  86  15.899  12.629   5.475
  664   2HB   ALA  86          2HB       ALA  86  16.920  13.845   4.709
  665   3HB   ALA  86          3HB       ALA  86  15.175  13.865   4.448
  666    H    GLU  87           H        GLU  87  14.764  12.732   7.800
  667    HA   GLU  87           HA       GLU  87  12.161  14.096   7.997
  668   1HB   GLU  87          2HB       GLU  87  12.623  11.115   7.765
  669   2HB   GLU  87          1HB       GLU  87  11.064  11.904   7.944
  670   1HG   GLU  87          2HG       GLU  87  12.940  12.210   5.611
  671   2HG   GLU  87          1HG       GLU  87  11.466  11.244   5.642
  672    H    ARG  88           H        ARG  88  11.418  11.581   9.651
  673    HA   ARG  88           HA       ARG  88  13.000  11.841  12.038
  674   1HB   ARG  88          2HB       ARG  88  11.579  13.861  12.160
  675   2HB   ARG  88          1HB       ARG  88  10.146  12.849  12.050
  676   1HG   ARG  88          2HG       ARG  88  10.782  11.765  14.167
  677   2HG   ARG  88          1HG       ARG  88  12.165  12.853  14.285
  678   1HD   ARG  88          2HD       ARG  88  10.650  14.774  14.316
  679   2HD   ARG  88          1HD       ARG  88   9.266  13.688  14.193
  680    HE   ARG  88           HE       ARG  88  10.809  12.959  16.424
  681   1HH1  ARG  88          1HH1      ARG  88   8.711  15.520  15.331
  682   2HH1  ARG  88          2HH1      ARG  88   8.203  15.958  16.928
  683   1HH2  ARG  88          1HH2      ARG  88  10.143  13.531  18.529
  684   2HH2  ARG  88          2HH2      ARG  88   9.016  14.829  18.743
  685    H    TRP  89           H        TRP  89  12.179  10.433  13.790
  686    HA   TRP  89           HA       TRP  89  11.227   7.950  12.692
  687   1HB   TRP  89          2HB       TRP  89  11.988   8.758  15.504
  688   2HB   TRP  89          1HB       TRP  89  11.502   7.128  15.050
  689    HD1  TRP  89           HD       TRP  89  13.997   9.480  13.219
  690    HE1  TRP  89           1HE      TRP  89  16.237   8.234  13.002
  691    HE3  TRP  89           3HE      TRP  89  12.812   5.223  15.792
  692    HZ2  TRP  89           2HZ      TRP  89  17.355   5.774  13.812
  693    HZ3  TRP  89           3HZ      TRP  89  14.526   3.473  16.025
  694    HH2  TRP  89           HH       TRP  89  16.749   3.744  15.054
  695    H    GLY  90           H        GLY  90   9.537  10.563  13.269
  696   1HA   GLY  90          2HA       GLY  90   7.382   9.296  14.810
  697   2HA   GLY  90          1HA       GLY  90   7.509  11.008  14.438
  698    HA   PRO  91           HA       PRO  91   4.125  10.031  11.634
  699   1HB   PRO  91          2HB       PRO  91   4.357  12.507  10.337
  700   2HB   PRO  91          1HB       PRO  91   3.293  12.138  11.695
  701   1HG   PRO  91          2HG       PRO  91   5.962  13.458  11.680
  702   2HG   PRO  91          1HG       PRO  91   4.558  13.769  12.714
  703   1HD   PRO  91          2HD       PRO  91   6.691  12.437  13.630
  704   2HD   PRO  91          1HD       PRO  91   5.044  11.985  14.120
  705    H    ARG  92           H        ARG  92   7.155  11.560  10.565
  706    HA   ARG  92           HA       ARG  92   6.985  11.051   7.837
  707   1HB   ARG  92          2HB       ARG  92   9.568  10.764   9.355
  708   2HB   ARG  92          1HB       ARG  92   9.314  11.412   7.742
  709   1HG   ARG  92          2HG       ARG  92   8.436  12.732  10.303
  710   2HG   ARG  92          1HG       ARG  92   9.884  13.141   9.384
  711   1HD   ARG  92          2HD       ARG  92   8.475  13.747   7.464
  712   2HD   ARG  92          1HD       ARG  92   7.036  13.365   8.411
  713    HE   ARG  92           HE       ARG  92   8.531  15.221   9.854
  714   1HH1  ARG  92          1HH1      ARG  92   6.774  15.068   6.850
  715   2HH1  ARG  92          2HH1      ARG  92   6.363  16.749   6.857
  716   1HH2  ARG  92          1HH2      ARG  92   7.994  17.433   9.870
  717   2HH2  ARG  92          2HH2      ARG  92   7.056  18.094   8.571
  718    H    THR  93           H        THR  93   6.992   9.201   6.653
  719    HA   THR  93           HA       THR  93   8.531   6.986   6.899
  720    HB   THR  93           HB       THR  93   7.580   6.645   9.151
  721    HG1  THR  93           1HG      THR  93   7.254   4.516   8.887
  722   1HG2  THR  93          1HG2      THR  93   5.388   7.557   8.971
  723   2HG2  THR  93          2HG2      THR  93   5.241   5.841   9.349
  724   3HG2  THR  93          3HG2      THR  93   4.958   6.409   7.703
  725    H    LEU  94           H        LEU  94   7.191   4.897   6.092
  726    HA   LEU  94           HA       LEU  94   4.965   5.399   4.401
  727   1HB   LEU  94          2HB       LEU  94   6.937   6.555   3.257
  728   2HB   LEU  94          1HB       LEU  94   7.586   4.956   2.983
  729    HG   LEU  94           HG       LEU  94   5.629   4.400   1.608
  730   1HD1  LEU  94          1HD1      LEU  94   4.755   7.111   2.489
  731   2HD1  LEU  94          2HD1      LEU  94   3.825   5.618   2.361
  732   3HD1  LEU  94          3HD1      LEU  94   4.269   6.507   0.904
  733   1HD2  LEU  94          1HD2      LEU  94   7.394   6.708   1.004
  734   2HD2  LEU  94          2HD2      LEU  94   6.101   6.311  -0.129
  735   3HD2  LEU  94          3HD2      LEU  94   7.329   5.108   0.264
  736    H    ASP  95           H        ASP  95   4.010   3.447   3.921
  737    HA   ASP  95           HA       ASP  95   5.630   1.035   4.393
  738   1HB   ASP  95          2HB       ASP  95   4.167   1.421   6.305
  739   2HB   ASP  95          1HB       ASP  95   2.769   1.516   5.239
  740    H    LEU  96           H        LEU  96   5.595  -0.464   2.880
  741    HA   LEU  96           HA       LEU  96   3.431  -0.393   0.883
  742   1HB   LEU  96          2HB       LEU  96   6.351  -0.965   0.357
  743   2HB   LEU  96          1HB       LEU  96   5.067  -1.011  -0.834
  744    HG   LEU  96           HG       LEU  96   6.235   1.025  -1.150
  745   1HD1  LEU  96          1HD1      LEU  96   3.608   0.975  -0.902
  746   2HD1  LEU  96          2HD1      LEU  96   4.487   2.469  -1.221
  747   3HD1  LEU  96          3HD1      LEU  96   3.959   2.091   0.418
  748   1HD2  LEU  96          1HD2      LEU  96   6.942   0.893   1.452
  749   2HD2  LEU  96          2HD2      LEU  96   5.741   2.184   1.502
  750   3HD2  LEU  96          3HD2      LEU  96   7.142   2.324   0.439
  751    H    ASP  97           H        ASP  97   2.491  -2.280   0.381
  752    HA   ASP  97           HA       ASP  97   3.783  -4.821   1.021
  753   1HB   ASP  97          2HB       ASP  97   1.785  -5.656   2.218
  754   2HB   ASP  97          1HB       ASP  97   2.527  -4.301   3.063
  755    H    ILE  98           H        ILE  98   2.325  -6.682   0.221
  756    HA   ILE  98           HA       ILE  98   1.059  -5.778  -2.277
  757    HB   ILE  98           HB       ILE  98   1.890  -8.129  -3.095
  758   1HG1  ILE  98          2HG1      ILE  98   4.262  -8.405  -2.088
  759   2HG1  ILE  98          1HG1      ILE  98   3.645  -7.476  -0.737
  760   1HG2  ILE  98          1HG2      ILE  98   2.477  -5.946  -4.047
  761   2HG2  ILE  98          2HG2      ILE  98   3.853  -7.048  -4.024
  762   3HG2  ILE  98          3HG2      ILE  98   3.735  -5.761  -2.825
  763   1HD1  ILE  98          1HD1      ILE  98   3.593 -10.158  -0.894
  764   2HD1  ILE  98          2HD1      ILE  98   1.997  -9.767  -1.532
  765   3HD1  ILE  98          3HD1      ILE  98   2.470  -9.198   0.069
  766    H    MET  99           H        MET  99  -1.036  -6.096  -2.194
  767    HA   MET  99           HA       MET  99  -2.256  -8.163  -0.650
  768   1HB   MET  99          2HB       MET  99  -3.421  -6.292  -2.722
  769   2HB   MET  99          1HB       MET  99  -4.361  -7.341  -1.667
  770   1HG   MET  99          2HG       MET  99  -2.541  -5.126  -0.753
  771   2HG   MET  99          1HG       MET  99  -4.297  -5.026  -0.872
  772   1HE   MET  99          1HE       MET  99  -2.870  -4.975   2.777
  773   2HE   MET  99          2HE       MET  99  -4.546  -4.642   2.345
  774   3HE   MET  99          3HE       MET  99  -3.236  -4.029   1.335
  775    H    LEU 100           H        LEU 100  -0.768  -8.124  -3.672
  776    HA   LEU 100           HA       LEU 100  -1.577 -10.813  -4.259
  777   1HB   LEU 100          2HB       LEU 100  -2.609  -8.560  -5.943
  778   2HB   LEU 100          1HB       LEU 100  -2.251 -10.108  -6.675
  779    HG   LEU 100           HG       LEU 100  -4.382  -9.434  -4.671
  780   1HD1  LEU 100          1HD1      LEU 100  -5.572 -10.960  -6.474
  781   2HD1  LEU 100          2HD1      LEU 100  -4.229 -10.407  -7.476
  782   3HD1  LEU 100          3HD1      LEU 100  -5.321  -9.233  -6.743
  783   1HD2  LEU 100          1HD2      LEU 100  -3.918 -12.253  -5.477
  784   2HD2  LEU 100          2HD2      LEU 100  -4.675 -11.598  -4.026
  785   3HD2  LEU 100          3HD2      LEU 100  -2.920 -11.578  -4.190
  786    H    PHE 101           H        PHE 101  -0.328 -11.821  -5.924
  787    HA   PHE 101           HA       PHE 101   1.921 -10.175  -6.901
  788   1HB   PHE 101          2HB       PHE 101   2.708 -11.651  -5.094
  789   2HB   PHE 101          1HB       PHE 101   2.084 -13.049  -5.962
  790    HD1  PHE 101           1HD      PHE 101   3.874 -14.325  -6.628
  791    HD2  PHE 101           2HD      PHE 101   4.061 -10.103  -7.121
  792    HE1  PHE 101           1HE      PHE 101   6.022 -14.561  -7.804
  793    HE2  PHE 101           2HE      PHE 101   6.209 -10.331  -8.300
  794    HZ   PHE 101           HZ       PHE 101   7.192 -12.562  -8.643
  795    H    GLY 102           H        GLY 102   0.337  -9.997  -8.713
  796   1HA   GLY 102          2HA       GLY 102   0.114 -10.428 -10.987
  797   2HA   GLY 102          1HA       GLY 102   1.026 -11.915 -10.766
  798    H    ASN 103           H        ASN 103  -0.865 -12.502  -8.473
  799    HA   ASN 103           HA       ASN 103  -3.021 -13.259  -8.087
  800   1HB   ASN 103          2HB       ASN 103  -3.879 -12.127 -10.177
  801   2HB   ASN 103          1HB       ASN 103  -3.384 -13.562 -11.077
  802   1HD2  ASN 103          1HD2      ASN 103  -5.853 -12.084  -9.451
  803   2HD2  ASN 103          2HD2      ASN 103  -6.869 -13.450  -9.190
  804    H    GLU 104           H        GLU 104  -0.662 -14.394  -7.935
  805    HA   GLU 104           HA       GLU 104  -1.029 -17.149  -8.901
  806   1HB   GLU 104          2HB       GLU 104   0.951 -15.638  -9.668
  807   2HB   GLU 104          1HB       GLU 104   1.581 -15.913  -8.055
  808   1HG   GLU 104          2HG       GLU 104   0.934 -18.036 -10.075
  809   2HG   GLU 104          1HG       GLU 104   2.534 -17.404  -9.713
  810    H    VAL 105           H        VAL 105  -0.748 -18.799  -7.306
  811    HA   VAL 105           HA       VAL 105  -1.067 -17.819  -4.595
  812    HB   VAL 105           HB       VAL 105  -0.996 -20.698  -5.526
  813   1HG1  VAL 105          1HG1      VAL 105  -1.933 -19.425  -2.961
  814   2HG1  VAL 105          2HG1      VAL 105  -0.562 -20.516  -3.172
  815   3HG1  VAL 105          3HG1      VAL 105  -2.207 -21.113  -3.400
  816   1HG2  VAL 105          1HG2      VAL 105  -3.503 -19.207  -4.854
  817   2HG2  VAL 105          2HG2      VAL 105  -3.296 -20.670  -5.819
  818   3HG2  VAL 105          3HG2      VAL 105  -2.816 -19.106  -6.475
  819    H    ILE 106           H        ILE 106   0.790 -17.096  -3.816
  820    HA   ILE 106           HA       ILE 106   2.914 -19.013  -3.327
  821    HB   ILE 106           HB       ILE 106   3.689 -18.202  -5.385
  822   1HG1  ILE 106          2HG1      ILE 106   4.985 -16.564  -3.201
  823   2HG1  ILE 106          1HG1      ILE 106   5.485 -18.153  -3.783
  824   1HG2  ILE 106          1HG2      ILE 106   3.153 -15.372  -4.522
  825   2HG2  ILE 106          2HG2      ILE 106   2.037 -16.338  -5.488
  826   3HG2  ILE 106          3HG2      ILE 106   3.636 -15.942  -6.119
  827   1HD1  ILE 106          1HD1      ILE 106   6.426 -15.699  -4.644
  828   2HD1  ILE 106          2HD1      ILE 106   5.336 -16.233  -5.930
  829   3HD1  ILE 106          3HD1      ILE 106   6.680 -17.263  -5.424
  830    H    ASN 107           H        ASN 107   2.842 -18.901  -1.190
  831    HA   ASN 107           HA       ASN 107   2.983 -16.240   0.062
  832   1HB   ASN 107          2HB       ASN 107   2.212 -18.692   1.593
  833   2HB   ASN 107          1HB       ASN 107   1.745 -17.013   1.857
  834   1HD2  ASN 107          1HD2      ASN 107  -0.151 -16.381   1.164
  835   2HD2  ASN 107          2HD2      ASN 107  -1.174 -17.251   0.084
  836    H    THR 108           H        THR 108   4.505 -15.806   1.574
  837    HA   THR 108           HA       THR 108   6.362 -17.891   2.413
  838    HB   THR 108           HB       THR 108   8.320 -16.422   1.834
  839    HG1  THR 108           1HG      THR 108   7.765 -14.487   1.262
  840   1HG2  THR 108          1HG2      THR 108   7.201 -16.828  -0.815
  841   2HG2  THR 108          2HG2      THR 108   7.057 -18.242   0.230
  842   3HG2  THR 108          3HG2      THR 108   8.640 -17.522  -0.067
  843    H    GLU 109           H        GLU 109   6.530 -14.343   2.472
  844    HA   GLU 109           HA       GLU 109   5.677 -14.106   5.175
  845   1HB   GLU 109          2HB       GLU 109   7.896 -15.081   5.589
  846   2HB   GLU 109          1HB       GLU 109   8.640 -13.808   4.631
  847   1HG   GLU 109          2HG       GLU 109   8.893 -13.370   6.997
  848   2HG   GLU 109          1HG       GLU 109   7.880 -12.142   6.240
  849    H    ARG 110           H        ARG 110   7.622 -12.709   2.585
  850    HA   ARG 110           HA       ARG 110   6.409 -10.091   3.159
  851   1HB   ARG 110          2HB       ARG 110   8.297  -9.059   2.007
  852   2HB   ARG 110          1HB       ARG 110   8.863 -10.063   3.332
  853   1HG   ARG 110          2HG       ARG 110   8.777 -11.066   0.506
  854   2HG   ARG 110          1HG       ARG 110  10.151 -10.162   1.141
  855   1HD   ARG 110          2HD       ARG 110  10.392 -11.842   2.930
  856   2HD   ARG 110          1HD       ARG 110   9.059 -12.755   2.230
  857    HE   ARG 110           HE       ARG 110  10.993 -12.358   0.249
  858   1HH1  ARG 110          1HH1      ARG 110  10.575 -14.078   3.251
  859   2HH1  ARG 110          2HH1      ARG 110  11.665 -15.353   2.822
  860   1HH2  ARG 110          1HH2      ARG 110  12.433 -14.034  -0.323
  861   2HH2  ARG 110          2HH2      ARG 110  12.722 -15.328   0.793
  862    H    LEU 111           H        LEU 111   5.956 -12.675   1.343
  863    HA   LEU 111           HA       LEU 111   4.881 -11.111  -0.886
  864   1HB   LEU 111          2HB       LEU 111   6.913 -12.035  -1.748
  865   2HB   LEU 111          1HB       LEU 111   6.542 -13.618  -1.095
  866    HG   LEU 111           HG       LEU 111   4.890 -14.030  -2.740
  867   1HD1  LEU 111          1HD1      LEU 111   3.545 -12.271  -3.144
  868   2HD1  LEU 111          2HD1      LEU 111   4.665 -11.971  -4.474
  869   3HD1  LEU 111          3HD1      LEU 111   4.848 -11.099  -2.953
  870   1HD2  LEU 111          1HD2      LEU 111   6.803 -12.534  -4.443
  871   2HD2  LEU 111          2HD2      LEU 111   6.200 -14.184  -4.596
  872   3HD2  LEU 111          3HD2      LEU 111   7.440 -13.806  -3.400
  873    H    THR 112           H        THR 112   2.975 -11.376   0.495
  874    HA   THR 112           HA       THR 112   1.762 -14.043   0.346
  875    HB   THR 112           HB       THR 112   1.741 -13.094   2.566
  876    HG1  THR 112           1HG      THR 112  -0.871 -12.547   2.091
  877   1HG2  THR 112          1HG2      THR 112   0.836 -11.032   3.187
  878   2HG2  THR 112          2HG2      THR 112   0.096 -10.781   1.606
  879   3HG2  THR 112          3HG2      THR 112   1.847 -10.682   1.785
  880    H    VAL 113           H        VAL 113   0.542 -14.393  -1.400
  881    HA   VAL 113           HA       VAL 113  -0.530 -12.210  -2.931
  882    HB   VAL 113           HB       VAL 113  -0.825 -15.197  -3.267
  883   1HG1  VAL 113          1HG1      VAL 113  -2.049 -14.893  -5.175
  884   2HG1  VAL 113          2HG1      VAL 113  -1.406 -13.275  -5.460
  885   3HG1  VAL 113          3HG1      VAL 113  -2.642 -13.529  -4.227
  886   1HG2  VAL 113          1HG2      VAL 113   0.986 -15.120  -4.626
  887   2HG2  VAL 113          2HG2      VAL 113   1.396 -13.767  -3.571
  888   3HG2  VAL 113          3HG2      VAL 113   0.664 -13.467  -5.148
  889    HA   PRO 114           HA       PRO 114  -4.855 -14.141  -1.483
  890   1HB   PRO 114          2HB       PRO 114  -3.789 -15.361   1.027
  891   2HB   PRO 114          1HB       PRO 114  -5.140 -15.882   0.014
  892   1HG   PRO 114          2HG       PRO 114  -2.826 -17.176  -0.083
  893   2HG   PRO 114          1HG       PRO 114  -3.753 -16.866  -1.565
  894   1HD   PRO 114          2HD       PRO 114  -1.283 -15.524  -0.560
  895   2HD   PRO 114          1HD       PRO 114  -1.785 -15.895  -2.222
  896    H    HIS 115           H        HIS 115  -2.203 -12.774   0.079
  897    HA   HIS 115           HA       HIS 115  -1.828 -11.193   1.620
  898   1HB   HIS 115          2HB       HIS 115  -3.148  -9.127   1.310
  899   2HB   HIS 115          1HB       HIS 115  -2.536  -9.813  -0.186
  900    HD1  HIS 115           1HD      HIS 115  -4.523 -11.434  -1.404
  901    HD2  HIS 115           2HD      HIS 115  -5.687  -8.303   1.059
  902    HE1  HIS 115           1HE      HIS 115  -6.890 -10.910  -2.061
  903    HE2  HIS 115           2HE      HIS 115  -7.554  -8.973  -0.596
  904    H    TYR 116           H        TYR 116  -1.931 -11.190   3.668
  905    HA   TYR 116           HA       TYR 116  -4.519 -11.618   5.000
  906   1HB   TYR 116          2HB       TYR 116  -1.710 -12.280   5.918
  907   2HB   TYR 116          1HB       TYR 116  -3.132 -12.411   6.943
  908    HD1  TYR 116           1HD      TYR 116  -2.420 -13.447   3.413
  909    HD2  TYR 116           2HD      TYR 116  -3.645 -14.627   7.313
  910    HE1  TYR 116           1HE      TYR 116  -2.795 -15.734   2.595
  911    HE2  TYR 116           2HE      TYR 116  -4.024 -16.919   6.506
  912    HH   TYR 116           HH       TYR 116  -4.214 -17.723   3.275
  913    H    ASP 117           H        ASP 117  -4.938 -10.422   6.907
  914    HA   ASP 117           HA       ASP 117  -4.805  -8.687   8.402
  915   1HB   ASP 117          2HB       ASP 117  -2.315  -7.827   6.912
  916   2HB   ASP 117          1HB       ASP 117  -2.929  -7.090   8.389
  917    H    MET 118           H        MET 118  -5.011  -8.537   5.062
  918    HA   MET 118           HA       MET 118  -5.473  -5.833   4.535
  919   1HB   MET 118          2HB       MET 118  -6.766  -6.594   2.585
  920   2HB   MET 118          1HB       MET 118  -5.284  -7.538   2.739
  921   1HG   MET 118          2HG       MET 118  -8.096  -8.352   3.474
  922   2HG   MET 118          1HG       MET 118  -7.108  -8.986   2.164
  923   1HE   MET 118          1HE       MET 118  -7.157 -11.986   3.356
  924   2HE   MET 118          2HE       MET 118  -8.480 -10.821   3.376
  925   3HE   MET 118          3HE       MET 118  -7.996 -11.631   4.866
  926    H    LYS 119           H        LYS 119  -7.581  -8.339   5.821
  927    HA   LYS 119           HA       LYS 119 -10.030  -7.017   5.732
  928   1HB   LYS 119          2HB       LYS 119 -10.611  -8.469   7.716
  929   2HB   LYS 119          1HB       LYS 119 -10.013  -9.321   6.303
  930   1HG   LYS 119          2HG       LYS 119  -7.849  -9.577   7.301
  931   2HG   LYS 119          1HG       LYS 119  -8.327  -8.581   8.673
  932   1HD   LYS 119          2HD       LYS 119 -10.054 -10.252   9.242
  933   2HD   LYS 119          1HD       LYS 119  -9.484 -11.260   7.910
  934   1HE   LYS 119          2HE       LYS 119  -7.303 -11.447   8.951
  935   2HE   LYS 119          1HE       LYS 119  -7.810 -10.364  10.247
  936   1HZ   LYS 119          1HZ       LYS 119  -9.409 -12.768   9.783
  937   2HZ   LYS 119          2HZ       LYS 119  -9.047 -11.977  11.234
  938   3HZ   LYS 119          3HZ       LYS 119  -7.891 -12.972  10.503
  939    H    ASN 120           H        ASN 120  -7.258  -6.307   7.499
  940    HA   ASN 120           HA       ASN 120  -8.666  -4.848   9.591
  941   1HB   ASN 120          2HB       ASN 120  -5.758  -5.495   9.125
  942   2HB   ASN 120          1HB       ASN 120  -6.306  -4.445  10.423
  943   1HD2  ASN 120          1HD2      ASN 120  -5.353  -7.466   9.766
  944   2HD2  ASN 120          2HD2      ASN 120  -6.192  -8.337  11.000
  945    H    ARG 121           H        ARG 121  -8.375  -4.046   6.588
  946    HA   ARG 121           HA       ARG 121  -8.059  -1.255   7.162
  947   1HB   ARG 121          2HB       ARG 121  -6.195  -0.918   5.512
  948   2HB   ARG 121          1HB       ARG 121  -5.742  -1.695   7.022
  949   1HG   ARG 121          2HG       ARG 121  -5.814  -3.880   5.890
  950   2HG   ARG 121          1HG       ARG 121  -6.197  -3.058   4.375
  951   1HD   ARG 121          2HD       ARG 121  -3.812  -3.603   4.542
  952   2HD   ARG 121          1HD       ARG 121  -4.084  -1.862   4.467
  953    HE   ARG 121           HE       ARG 121  -3.961  -2.631   7.156
  954   1HH1  ARG 121          1HH1      ARG 121  -1.888  -2.390   4.365
  955   2HH1  ARG 121          2HH1      ARG 121  -0.454  -2.113   5.295
  956   1HH2  ARG 121          1HH2      ARG 121  -2.079  -2.266   8.388
  957   2HH2  ARG 121          2HH2      ARG 121  -0.561  -2.043   7.580
  958    H    GLY 122           H        GLY 122  -9.736  -0.459   6.152
  959   1HA   GLY 122          2HA       GLY 122 -10.592  -1.467   3.519
  960   2HA   GLY 122          1HA       GLY 122 -11.448  -0.308   4.546
  961    H    PHE 123           H        PHE 123  -8.703   0.974   4.931
  962    HA   PHE 123           HA       PHE 123  -8.974   2.891   2.794
  963   1HB   PHE 123          2HB       PHE 123  -7.036   3.996   4.030
  964   2HB   PHE 123          1HB       PHE 123  -8.540   3.832   4.926
  965    HD1  PHE 123           1HD      PHE 123  -5.276   2.125   4.391
  966    HD2  PHE 123           2HD      PHE 123  -8.528   2.879   7.024
  967    HE1  PHE 123           1HE      PHE 123  -4.082   0.951   6.192
  968    HE2  PHE 123           2HE      PHE 123  -7.341   1.710   8.833
  969    HZ   PHE 123           HZ       PHE 123  -5.114   0.743   8.419
  970    H    MET 124           H        MET 124  -7.793  -0.020   2.749
  971    HA   MET 124           HA       MET 124  -5.552   0.657   0.968
  972   1HB   MET 124          2HB       MET 124  -5.494  -0.917   3.379
  973   2HB   MET 124          1HB       MET 124  -5.092  -1.928   1.999
  974   1HG   MET 124          2HG       MET 124  -3.110  -0.967   3.035
  975   2HG   MET 124          1HG       MET 124  -3.311  -0.421   1.372
  976   1HE   MET 124          1HE       MET 124  -1.567   2.147   3.811
  977   2HE   MET 124          2HE       MET 124  -1.590   2.210   2.050
  978   3HE   MET 124          3HE       MET 124  -1.349   0.670   2.874
  979    H    LEU 125           H        LEU 125  -8.173  -1.537   1.804
  980    HA   LEU 125           HA       LEU 125  -7.862  -3.073  -0.602
  981   1HB   LEU 125          2HB       LEU 125  -9.908  -3.139   1.591
  982   2HB   LEU 125          1HB       LEU 125  -9.904  -4.234   0.225
  983    HG   LEU 125           HG       LEU 125  -7.728  -4.004   2.301
  984   1HD1  LEU 125          1HD1      LEU 125 -10.043  -5.072   2.846
  985   2HD1  LEU 125          2HD1      LEU 125  -8.554  -5.890   3.316
  986   3HD1  LEU 125          3HD1      LEU 125  -9.430  -6.413   1.878
  987   1HD2  LEU 125          1HD2      LEU 125  -7.990  -6.143   0.218
  988   2HD2  LEU 125          2HD2      LEU 125  -6.592  -5.729   1.211
  989   3HD2  LEU 125          3HD2      LEU 125  -7.096  -4.656  -0.095
  990    H    TRP 126           H        TRP 126 -10.275  -0.836   0.722
  991    HA   TRP 126           HA       TRP 126 -12.008  -0.824  -1.456
  992   1HB   TRP 126          2HB       TRP 126 -12.734   0.163   0.583
  993   2HB   TRP 126          1HB       TRP 126 -11.372   1.272   0.617
  994    HD1  TRP 126           HD       TRP 126 -12.628   3.485   0.642
  995    HE1  TRP 126           1HE      TRP 126 -14.208   4.705  -0.989
  996    HE3  TRP 126           3HE      TRP 126 -13.495  -0.324  -2.656
  997    HZ2  TRP 126           2HZ      TRP 126 -15.629   4.128  -3.357
  998    HZ3  TRP 126           3HZ      TRP 126 -14.977   0.093  -4.575
  999    HH2  TRP 126           HH       TRP 126 -16.022   2.272  -4.916
 1000    HA   PRO 127           HA       PRO 127  -9.335   2.994  -3.132
 1001   1HB   PRO 127          2HB       PRO 127  -6.654   2.458  -2.536
 1002   2HB   PRO 127          1HB       PRO 127  -7.635   3.736  -1.812
 1003   1HG   PRO 127          2HG       PRO 127  -6.966   1.027  -0.767
 1004   2HG   PRO 127          1HG       PRO 127  -7.148   2.558   0.109
 1005   1HD   PRO 127          2HD       PRO 127  -9.056   0.692   0.196
 1006   2HD   PRO 127          1HD       PRO 127  -9.466   2.418   0.116
 1007    H    LEU 128           H        LEU 128  -7.618  -0.076  -2.556
 1008    HA   LEU 128           HA       LEU 128  -6.638  -0.369  -5.203
 1009   1HB   LEU 128          2HB       LEU 128  -5.688  -1.507  -3.214
 1010   2HB   LEU 128          1HB       LEU 128  -7.142  -2.470  -3.087
 1011    HG   LEU 128           HG       LEU 128  -6.658  -3.624  -5.149
 1012   1HD1  LEU 128          1HD1      LEU 128  -5.719  -2.036  -6.575
 1013   2HD1  LEU 128          2HD1      LEU 128  -4.378  -3.128  -6.228
 1014   3HD1  LEU 128          3HD1      LEU 128  -4.486  -1.572  -5.405
 1015   1HD2  LEU 128          1HD2      LEU 128  -4.969  -4.954  -4.360
 1016   2HD2  LEU 128          2HD2      LEU 128  -5.384  -4.078  -2.888
 1017   3HD2  LEU 128          3HD2      LEU 128  -3.983  -3.587  -3.840
 1018    H    PHE 129           H        PHE 129  -9.652  -0.949  -3.700
 1019    HA   PHE 129           HA       PHE 129 -10.672  -2.885  -5.535
 1020   1HB   PHE 129          2HB       PHE 129 -11.509  -2.457  -3.178
 1021   2HB   PHE 129          1HB       PHE 129 -12.246  -0.982  -3.788
 1022    HD1  PHE 129           1HD      PHE 129 -14.013  -1.160  -5.563
 1023    HD2  PHE 129           2HD      PHE 129 -12.562  -4.525  -3.390
 1024    HE1  PHE 129           1HE      PHE 129 -16.025  -2.427  -6.194
 1025    HE2  PHE 129           2HE      PHE 129 -14.565  -5.796  -4.034
 1026    HZ   PHE 129           HZ       PHE 129 -16.300  -4.750  -5.432
 1027    H    GLU 130           H        GLU 130 -10.520   0.592  -5.337
 1028    HA   GLU 130           HA       GLU 130 -12.440   1.171  -7.347
 1029   1HB   GLU 130          2HB       GLU 130 -11.641   2.800  -5.637
 1030   2HB   GLU 130          1HB       GLU 130 -10.083   2.843  -6.448
 1031   1HG   GLU 130          2HG       GLU 130 -12.675   3.616  -7.761
 1032   2HG   GLU 130          1HG       GLU 130 -11.597   4.755  -6.958
 1033    H    ILE 131           H        ILE 131  -8.913   0.799  -7.367
 1034    HA   ILE 131           HA       ILE 131  -8.757   1.223 -10.219
 1035    HB   ILE 131           HB       ILE 131  -6.375   0.712  -9.989
 1036   1HG1  ILE 131          2HG1      ILE 131  -6.987   0.282  -7.050
 1037   2HG1  ILE 131          1HG1      ILE 131  -6.571  -0.995  -8.194
 1038   1HG2  ILE 131          1HG2      ILE 131  -5.992   2.532  -8.094
 1039   2HG2  ILE 131          2HG2      ILE 131  -7.730   2.745  -8.308
 1040   3HG2  ILE 131          3HG2      ILE 131  -6.640   2.948  -9.680
 1041   1HD1  ILE 131          1HD1      ILE 131  -4.708  -0.180  -6.717
 1042   2HD1  ILE 131          2HD1      ILE 131  -4.763   1.334  -7.620
 1043   3HD1  ILE 131          3HD1      ILE 131  -4.372  -0.173  -8.448
 1044    H    ALA 132           H        ALA 132  -9.403  -1.391  -8.153
 1045    HA   ALA 132           HA       ALA 132  -9.512  -3.215 -10.386
 1046   1HB   ALA 132          1HB       ALA 132  -7.157  -3.168  -8.905
 1047   2HB   ALA 132          2HB       ALA 132  -7.686  -4.429 -10.018
 1048   3HB   ALA 132          3HB       ALA 132  -8.045  -4.565  -8.297
 1049    HA   PRO 133           HA       PRO 133 -12.666  -4.071  -7.123
 1050   1HB   PRO 133          2HB       PRO 133 -14.857  -3.655  -8.580
 1051   2HB   PRO 133          1HB       PRO 133 -13.917  -2.293  -7.956
 1052   1HG   PRO 133          2HG       PRO 133 -13.967  -3.457 -10.709
 1053   2HG   PRO 133          1HG       PRO 133 -13.916  -1.757 -10.214
 1054   1HD   PRO 133          2HD       PRO 133 -11.717  -3.256 -11.000
 1055   2HD   PRO 133          1HD       PRO 133 -11.644  -1.771 -10.032
 1056    H    GLU 134           H        GLU 134 -11.284  -5.808  -9.343
 1057    HA   GLU 134           HA       GLU 134 -13.322  -7.927  -9.280
 1058   1HB   GLU 134          2HB       GLU 134 -11.537  -7.243 -11.621
 1059   2HB   GLU 134          1HB       GLU 134 -12.607  -8.636 -11.537
 1060   1HG   GLU 134          2HG       GLU 134 -14.535  -7.139 -11.372
 1061   2HG   GLU 134          1HG       GLU 134 -13.457  -5.749 -11.477
 1062    H    LEU 135           H        LEU 135 -10.773  -7.261  -7.745
 1063    HA   LEU 135           HA       LEU 135  -8.713  -9.013  -8.369
 1064   1HB   LEU 135          2HB       LEU 135  -8.651  -7.243  -6.636
 1065   2HB   LEU 135          1HB       LEU 135  -9.674  -8.233  -5.614
 1066    HG   LEU 135           HG       LEU 135  -7.069  -9.340  -6.571
 1067   1HD1  LEU 135          1HD1      LEU 135  -5.798  -7.971  -5.365
 1068   2HD1  LEU 135          2HD1      LEU 135  -6.877  -8.083  -3.975
 1069   3HD1  LEU 135          3HD1      LEU 135  -7.198  -6.906  -5.249
 1070   1HD2  LEU 135          1HD2      LEU 135  -7.210 -10.324  -4.224
 1071   2HD2  LEU 135          2HD2      LEU 135  -8.377 -10.909  -5.411
 1072   3HD2  LEU 135          3HD2      LEU 135  -8.869  -9.727  -4.198
 1073    H    VAL 136           H        VAL 136 -10.962  -9.641  -5.696
 1074    HA   VAL 136           HA       VAL 136 -11.027 -11.860  -4.701
 1075    HB   VAL 136           HB       VAL 136 -13.201 -10.916  -5.056
 1076   1HG1  VAL 136          1HG1      VAL 136 -13.749 -10.285  -7.121
 1077   2HG1  VAL 136          2HG1      VAL 136 -14.194 -11.965  -7.414
 1078   3HG1  VAL 136          3HG1      VAL 136 -12.584 -11.390  -7.850
 1079   1HG2  VAL 136          1HG2      VAL 136 -14.484 -13.090  -5.655
 1080   2HG2  VAL 136          2HG2      VAL 136 -13.459 -13.059  -4.221
 1081   3HG2  VAL 136          3HG2      VAL 136 -12.879 -13.817  -5.704
 1082    H    PHE 137           H        PHE 137  -9.648 -13.505  -5.047
 1083    HA   PHE 137           HA       PHE 137 -10.287 -15.586  -6.777
 1084   1HB   PHE 137          2HB       PHE 137  -9.392 -13.689  -8.362
 1085   2HB   PHE 137          1HB       PHE 137  -7.829 -14.307  -7.856
 1086    HD1  PHE 137           1HD      PHE 137  -7.043 -15.289  -9.833
 1087    HD2  PHE 137           2HD      PHE 137 -10.931 -16.261  -8.409
 1088    HE1  PHE 137           1HE      PHE 137  -7.206 -17.080 -11.513
 1089    HE2  PHE 137           2HE      PHE 137 -11.101 -18.054 -10.084
 1090    HZ   PHE 137           HZ       PHE 137  -9.238 -18.465 -11.639
 1091    HA   PRO 138           HA       PRO 138  -5.643 -16.134  -5.048
 1092   1HB   PRO 138          2HB       PRO 138  -5.387 -14.460  -2.826
 1093   2HB   PRO 138          1HB       PRO 138  -4.633 -14.188  -4.400
 1094   1HG   PRO 138          2HG       PRO 138  -7.197 -13.080  -3.315
 1095   2HG   PRO 138          1HG       PRO 138  -5.917 -12.251  -4.222
 1096   1HD   PRO 138          2HD       PRO 138  -8.123 -12.962  -5.469
 1097   2HD   PRO 138          1HD       PRO 138  -6.552 -13.255  -6.248
 1098    H    ASP 139           H        ASP 139  -7.796 -14.750  -2.622
 1099    HA   ASP 139           HA       ASP 139  -7.864 -17.332  -1.221
 1100   1HB   ASP 139          2HB       ASP 139  -7.065 -15.411   0.106
 1101   2HB   ASP 139          1HB       ASP 139  -8.581 -14.570  -0.208
 1102    H    GLY 140           H        GLY 140  -9.717 -15.135  -3.066
 1103   1HA   GLY 140          2HA       GLY 140 -11.776 -15.935  -4.048
 1104   2HA   GLY 140          1HA       GLY 140 -12.139 -16.728  -2.521
 1105    H    GLU 141           H        GLU 141 -10.867 -13.484  -2.653
 1106    HA   GLU 141           HA       GLU 141 -13.478 -12.250  -2.465
 1107   1HB   GLU 141          2HB       GLU 141 -11.587 -12.191  -0.108
 1108   2HB   GLU 141          1HB       GLU 141 -12.983 -11.140  -0.288
 1109   1HG   GLU 141          2HG       GLU 141 -14.369 -13.256  -0.413
 1110   2HG   GLU 141          1HG       GLU 141 -12.921 -14.093   0.134
 1111    H    MET 142           H        MET 142 -13.451 -10.163  -3.088
 1112    HA   MET 142           HA       MET 142 -11.148  -9.089  -4.321
 1113   1HB   MET 142          2HB       MET 142 -13.605  -7.592  -3.395
 1114   2HB   MET 142          1HB       MET 142 -12.421  -7.025  -4.562
 1115   1HG   MET 142          2HG       MET 142 -13.049  -8.707  -6.113
 1116   2HG   MET 142          1HG       MET 142 -14.103  -9.464  -4.928
 1117   1HE   MET 142          1HE       MET 142 -15.313  -9.532  -7.096
 1118   2HE   MET 142          2HE       MET 142 -15.579  -8.115  -8.112
 1119   3HE   MET 142          3HE       MET 142 -16.837  -8.651  -6.998
 1120    H    LEU 143           H        LEU 143 -11.123  -6.448  -3.460
 1121    HA   LEU 143           HA       LEU 143  -9.466  -6.657  -1.124
 1122   1HB   LEU 143          2HB       LEU 143 -10.554  -4.244  -2.575
 1123   2HB   LEU 143          1HB       LEU 143  -9.316  -4.208  -1.345
 1124    HG   LEU 143           HG       LEU 143  -8.310  -3.907  -3.455
 1125   1HD1  LEU 143          1HD1      LEU 143  -7.795  -6.716  -2.488
 1126   2HD1  LEU 143          2HD1      LEU 143  -7.073  -5.248  -1.830
 1127   3HD1  LEU 143          3HD1      LEU 143  -6.706  -5.748  -3.481
 1128   1HD2  LEU 143          1HD2      LEU 143  -9.827  -4.767  -5.012
 1129   2HD2  LEU 143          2HD2      LEU 143  -9.820  -6.366  -4.269
 1130   3HD2  LEU 143          3HD2      LEU 143  -8.406  -5.799  -5.156
 1131    H    ARG 144           H        ARG 144 -12.060  -4.498  -1.861
 1132    HA   ARG 144           HA       ARG 144 -12.777  -3.757   0.650
 1133   1HB   ARG 144          2HB       ARG 144 -13.355  -2.492  -1.275
 1134   2HB   ARG 144          1HB       ARG 144 -14.361  -3.793  -1.889
 1135   1HG   ARG 144          2HG       ARG 144 -15.862  -3.499   0.050
 1136   2HG   ARG 144          1HG       ARG 144 -14.864  -2.153   0.589
 1137   1HD   ARG 144          2HD       ARG 144 -16.765  -1.271  -0.572
 1138   2HD   ARG 144          1HD       ARG 144 -15.330  -1.011  -1.560
 1139    HE   ARG 144           HE       ARG 144 -16.510  -3.420  -2.346
 1140   1HH1  ARG 144          1HH1      ARG 144 -17.172  -0.001  -2.392
 1141   2HH1  ARG 144          2HH1      ARG 144 -18.169  -0.081  -3.806
 1142   1HH2  ARG 144          1HH2      ARG 144 -17.827  -3.536  -4.209
 1143   2HH2  ARG 144          2HH2      ARG 144 -18.541  -2.089  -4.838
 1144    H    GLN 145           H        GLN 145 -13.613  -6.776  -0.859
 1145    HA   GLN 145           HA       GLN 145 -16.028  -7.269   0.533
 1146   1HB   GLN 145          2HB       GLN 145 -14.053  -9.482   0.112
 1147   2HB   GLN 145          1HB       GLN 145 -15.804  -9.510  -0.051
 1148   1HG   GLN 145          2HG       GLN 145 -13.892  -8.155  -1.909
 1149   2HG   GLN 145          1HG       GLN 145 -14.664  -9.719  -2.190
 1150   1HE2  GLN 145          1HE2      GLN 145 -14.890  -6.396  -2.517
 1151   2HE2  GLN 145          2HE2      GLN 145 -16.512  -6.307  -3.080
 1152    H    ILE 146           H        ILE 146 -12.672  -8.036   1.249
 1153    HA   ILE 146           HA       ILE 146 -13.115  -9.171   3.778
 1154    HB   ILE 146           HB       ILE 146 -10.534  -7.838   3.137
 1155   1HG1  ILE 146          2HG1      ILE 146 -11.466 -10.354   1.741
 1156   2HG1  ILE 146          1HG1      ILE 146 -11.406  -8.768   0.977
 1157   1HG2  ILE 146          1HG2      ILE 146  -9.631  -9.494   4.411
 1158   2HG2  ILE 146          2HG2      ILE 146 -10.812 -10.694   3.879
 1159   3HG2  ILE 146          3HG2      ILE 146 -11.259  -9.494   5.093
 1160   1HD1  ILE 146          1HD1      ILE 146  -8.963  -9.901   2.247
 1161   2HD1  ILE 146          2HD1      ILE 146  -9.115  -8.725   0.940
 1162   3HD1  ILE 146          3HD1      ILE 146  -9.462 -10.429   0.638
 1163    H    LEU 147           H        LEU 147 -12.629  -5.826   2.730
 1164    HA   LEU 147           HA       LEU 147 -12.185  -4.945   5.476
 1165   1HB   LEU 147          2HB       LEU 147 -11.728  -2.820   4.618
 1166   2HB   LEU 147          1HB       LEU 147 -11.066  -3.932   3.439
 1167    HG   LEU 147           HG       LEU 147 -13.335  -3.587   2.204
 1168   1HD1  LEU 147          1HD1      LEU 147 -14.706  -2.292   3.470
 1169   2HD1  LEU 147          2HD1      LEU 147 -13.831  -1.008   2.635
 1170   3HD1  LEU 147          3HD1      LEU 147 -13.366  -1.470   4.270
 1171   1HD2  LEU 147          1HD2      LEU 147 -10.892  -1.995   2.282
 1172   2HD2  LEU 147          2HD2      LEU 147 -12.267  -1.210   1.509
 1173   3HD2  LEU 147          3HD2      LEU 147 -11.701  -2.774   0.928
 1174    H    HIS 148           H        HIS 148 -14.741  -4.776   3.071
 1175    HA   HIS 148           HA       HIS 148 -16.439  -3.024   4.496
 1176   1HB   HIS 148          2HB       HIS 148 -16.576  -3.537   2.044
 1177   2HB   HIS 148          1HB       HIS 148 -17.237  -5.112   2.459
 1178    HD1  HIS 148           1HD      HIS 148 -19.176  -3.957   0.835
 1179    HD2  HIS 148           2HD      HIS 148 -18.865  -2.614   4.756
 1180    HE1  HIS 148           1HE      HIS 148 -21.367  -2.830   1.336
 1181    HE2  HIS 148           2HE      HIS 148 -21.127  -1.959   3.687
 1182    H    THR 149           H        THR 149 -15.697  -6.338   4.808
 1183    HA   THR 149           HA       THR 149 -18.057  -6.766   6.494
 1184    HB   THR 149           HB       THR 149 -17.710  -9.144   6.137
 1185    HG1  THR 149           1HG      THR 149 -15.942  -9.420   4.351
 1186   1HG2  THR 149          1HG2      THR 149 -18.480  -9.280   4.007
 1187   2HG2  THR 149          2HG2      THR 149 -17.273  -8.159   3.376
 1188   3HG2  THR 149          3HG2      THR 149 -18.678  -7.544   4.248
 1189    H    ARG 150           H        ARG 150 -14.575  -6.498   6.595
 1190    HA   ARG 150           HA       ARG 150 -14.682  -7.481   9.376
 1191   1HB   ARG 150          2HB       ARG 150 -12.550  -7.720   7.316
 1192   2HB   ARG 150          1HB       ARG 150 -12.085  -7.641   9.007
 1193   1HG   ARG 150          2HG       ARG 150 -12.230  -9.923   8.486
 1194   2HG   ARG 150          1HG       ARG 150 -13.687  -9.552   9.406
 1195   1HD   ARG 150          2HD       ARG 150 -14.945  -9.374   7.294
 1196   2HD   ARG 150          1HD       ARG 150 -13.483  -9.809   6.406
 1197    HE   ARG 150           HE       ARG 150 -14.074 -11.753   8.379
 1198   1HH1  ARG 150          1HH1      ARG 150 -15.055 -10.653   5.221
 1199   2HH1  ARG 150          2HH1      ARG 150 -15.736 -12.178   4.763
 1200   1HH2  ARG 150          1HH2      ARG 150 -14.960 -13.761   7.778
 1201   2HH2  ARG 150          2HH2      ARG 150 -15.680 -13.942   6.213
 1202    H    ALA 151           H        ALA 151 -14.225  -4.585   7.606
 1203    HA   ALA 151           HA       ALA 151 -13.066  -3.402  10.029
 1204   1HB   ALA 151          1HB       ALA 151 -11.828  -3.552   7.466
 1205   2HB   ALA 151          2HB       ALA 151 -11.217  -2.831   8.954
 1206   3HB   ALA 151          3HB       ALA 151 -12.180  -1.865   7.837
 1207    H    PHE 152           H        PHE 152 -13.715  -1.708   7.035
 1208    HA   PHE 152           HA       PHE 152 -15.911  -0.312   8.402
 1209   1HB   PHE 152          2HB       PHE 152 -13.817   0.654   6.473
 1210   2HB   PHE 152          1HB       PHE 152 -15.282   1.554   6.798
 1211    HD1  PHE 152           1HD      PHE 152 -14.874   3.373   8.138
 1212    HD2  PHE 152           2HD      PHE 152 -12.836  -0.278   8.940
 1213    HE1  PHE 152           1HE      PHE 152 -13.798   4.406  10.095
 1214    HE2  PHE 152           2HE      PHE 152 -11.761   0.749  10.898
 1215    HZ   PHE 152           HZ       PHE 152 -12.240   3.093  11.479
 1216    H    ASP 153           H        ASP 153 -16.310   1.144   5.779
 1217    HA   ASP 153           HA       ASP 153 -17.607  -0.985   4.230
 1218   1HB   ASP 153          2HB       ASP 153 -18.902   1.630   5.043
 1219   2HB   ASP 153          1HB       ASP 153 -19.604   0.442   3.949
 1220    H    LYS 154           H        LYS 154 -16.854   2.500   4.276
 1221    HA   LYS 154           HA       LYS 154 -15.379   2.410   1.865
 1222   1HB   LYS 154          2HB       LYS 154 -17.640   2.090   0.918
 1223   2HB   LYS 154          1HB       LYS 154 -18.155   3.595   1.658
 1224   1HG   LYS 154          2HG       LYS 154 -15.853   3.566  -0.245
 1225   2HG   LYS 154          1HG       LYS 154 -17.508   3.544  -0.846
 1226   1HD   LYS 154          2HD       LYS 154 -16.446   5.614   1.071
 1227   2HD   LYS 154          1HD       LYS 154 -16.465   5.820  -0.679
 1228   1HE   LYS 154          2HE       LYS 154 -18.388   6.918   0.229
 1229   2HE   LYS 154          1HE       LYS 154 -18.929   5.479  -0.632
 1230   1HZ   LYS 154          1HZ       LYS 154 -18.397   5.169   2.215
 1231   2HZ   LYS 154          2HZ       LYS 154 -19.623   4.499   1.263
 1232   3HZ   LYS 154          3HZ       LYS 154 -19.751   6.097   1.803
 1233    H    LEU 155           H        LEU 155 -13.862   3.824   2.441
 1234    HA   LEU 155           HA       LEU 155 -14.468   6.105   4.103
 1235   1HB   LEU 155          2HB       LEU 155 -11.875   5.282   2.790
 1236   2HB   LEU 155          1HB       LEU 155 -12.053   6.550   3.986
 1237    HG   LEU 155           HG       LEU 155 -12.408   3.578   4.407
 1238   1HD1  LEU 155          1HD1      LEU 155 -10.104   4.637   4.362
 1239   2HD1  LEU 155          2HD1      LEU 155 -10.531   3.723   5.808
 1240   3HD1  LEU 155          3HD1      LEU 155 -10.580   5.485   5.833
 1241   1HD2  LEU 155          1HD2      LEU 155 -13.060   5.885   6.236
 1242   2HD2  LEU 155          2HD2      LEU 155 -12.832   4.229   6.795
 1243   3HD2  LEU 155          3HD2      LEU 155 -14.143   4.609   5.677
 1244    H    ASN 156           H        ASN 156 -13.270   8.257   3.383
 1245    HA   ASN 156           HA       ASN 156 -14.342   8.873   0.717
 1246   1HB   ASN 156          2HB       ASN 156 -13.670  10.705   3.028
 1247   2HB   ASN 156          1HB       ASN 156 -14.306  11.233   1.475
 1248   1HD2  ASN 156          1HD2      ASN 156 -15.740   8.354   1.972
 1249   2HD2  ASN 156          2HD2      ASN 156 -17.176   8.867   2.782
 1250    H    LYS 157           H        LYS 157 -13.119   9.792  -0.865
 1251    HA   LYS 157           HA       LYS 157 -10.322   9.376  -0.817
 1252   1HB   LYS 157          2HB       LYS 157 -12.006  11.006  -2.729
 1253   2HB   LYS 157          1HB       LYS 157 -10.330  10.541  -2.997
 1254   1HG   LYS 157          2HG       LYS 157 -10.924   8.221  -3.078
 1255   2HG   LYS 157          1HG       LYS 157 -12.587   8.590  -2.622
 1256   1HD   LYS 157          2HD       LYS 157 -12.872   9.852  -4.703
 1257   2HD   LYS 157          1HD       LYS 157 -11.208   9.473  -5.157
 1258   1HE   LYS 157          2HE       LYS 157 -11.735   7.102  -5.193
 1259   2HE   LYS 157          1HE       LYS 157 -13.384   7.442  -4.668
 1260   1HZ   LYS 157          1HZ       LYS 157 -13.487   7.151  -6.981
 1261   2HZ   LYS 157          2HZ       LYS 157 -12.124   8.112  -7.264
 1262   3HZ   LYS 157          3HZ       LYS 157 -13.570   8.825  -6.753
 1263    H    TRP 158           H        TRP 158  -9.529  10.510   0.959
 1264    HA   TRP 158           HA       TRP 158  -8.880  12.299   2.230
 1265   1HB   TRP 158          2HB       TRP 158  -7.200  12.137   0.395
 1266   2HB   TRP 158          1HB       TRP 158  -8.121  13.328  -0.517
 1267    HD1  TRP 158           HD       TRP 158  -6.912  13.362   3.185
 1268    HE1  TRP 158           1HE      TRP 158  -5.660  15.576   3.578
 1269    HE3  TRP 158           3HE      TRP 158  -7.221  15.318  -1.528
 1270    HZ2  TRP 158           2HZ      TRP 158  -4.905  17.852   2.087
 1271    HZ3  TRP 158           3HZ      TRP 158  -6.209  17.519  -1.961
 1272    HH2  TRP 158           HH       TRP 158  -5.075  18.759  -0.190
  Start of MODEL    3
    1   1H    THR   1          1HT       THR   1   3.269  -9.360 -15.846
    2   2H    THR   1          2HT       THR   1   4.602  -9.932 -14.978
    3   3H    THR   1          3HT       THR   1   4.085  -8.334 -14.776
    4    HA   THR   1           HA       THR   1   2.026 -10.267 -14.263
    5    HB   THR   1           HB       THR   1   4.509 -10.185 -12.535
    6    HG1  THR   1           1HG      THR   1   3.313 -12.283 -14.020
    7   1HG2  THR   1          1HG2      THR   1   2.493 -10.330 -11.158
    8   2HG2  THR   1          2HG2      THR   1   3.438 -11.818 -11.116
    9   3HG2  THR   1          3HG2      THR   1   1.969 -11.733 -12.088
   10    H    VAL   2           H        VAL   2   0.494  -8.877 -13.695
   11    HA   VAL   2           HA       VAL   2   1.013  -6.298 -12.626
   12    HB   VAL   2           HB       VAL   2  -1.598  -7.818 -12.695
   13   1HG1  VAL   2          1HG1      VAL   2  -1.235  -4.837 -12.597
   14   2HG1  VAL   2          2HG1      VAL   2  -1.394  -5.814 -11.138
   15   3HG1  VAL   2          3HG1      VAL   2  -2.702  -5.776 -12.320
   16   1HG2  VAL   2          1HG2      VAL   2  -0.030  -6.849 -14.815
   17   2HG2  VAL   2          2HG2      VAL   2  -1.373  -5.719 -14.636
   18   3HG2  VAL   2          3HG2      VAL   2  -1.692  -7.436 -14.882
   19    H    ALA   3           H        ALA   3   1.876  -6.101 -10.663
   20    HA   ALA   3           HA       ALA   3   0.975  -7.838  -8.489
   21   1HB   ALA   3          1HB       ALA   3   2.988  -7.517  -7.515
   22   2HB   ALA   3          2HB       ALA   3   3.083  -5.827  -8.009
   23   3HB   ALA   3          3HB       ALA   3   3.460  -7.106  -9.162
   24    H    TYR   4           H        TYR   4  -0.409  -7.168  -6.987
   25    HA   TYR   4           HA       TYR   4  -1.283  -4.393  -7.025
   26   1HB   TYR   4          2HB       TYR   4  -2.441  -6.737  -5.511
   27   2HB   TYR   4          1HB       TYR   4  -3.194  -5.160  -5.745
   28    HD1  TYR   4           1HD      TYR   4  -1.894  -8.079  -7.666
   29    HD2  TYR   4           2HD      TYR   4  -4.623  -4.820  -7.559
   30    HE1  TYR   4           1HE      TYR   4  -2.940  -8.894  -9.735
   31    HE2  TYR   4           2HE      TYR   4  -5.677  -5.625  -9.629
   32    HH   TYR   4           HH       TYR   4  -4.509  -8.556 -11.263
   33    H    ILE   5           H        ILE   5   0.043  -3.166  -5.992
   34    HA   ILE   5           HA       ILE   5   0.993  -3.812  -3.304
   35    HB   ILE   5           HB       ILE   5   1.939  -1.330  -4.537
   36   1HG1  ILE   5          2HG1      ILE   5   2.511  -3.960  -5.911
   37   2HG1  ILE   5          1HG1      ILE   5   1.507  -2.683  -6.548
   38   1HG2  ILE   5          1HG2      ILE   5   3.530  -1.803  -3.066
   39   2HG2  ILE   5          2HG2      ILE   5   4.049  -3.119  -4.118
   40   3HG2  ILE   5          3HG2      ILE   5   2.893  -3.429  -2.822
   41   1HD1  ILE   5          1HD1      ILE   5   4.463  -2.817  -6.284
   42   2HD1  ILE   5          2HD1      ILE   5   3.667  -1.242  -6.237
   43   3HD1  ILE   5          3HD1      ILE   5   3.472  -2.288  -7.643
   44    H    ALA   6           H        ALA   6   0.825  -2.329  -1.638
   45    HA   ALA   6           HA       ALA   6  -1.295  -0.305  -1.925
   46   1HB   ALA   6          1HB       ALA   6  -1.285  -0.627   0.694
   47   2HB   ALA   6          2HB       ALA   6  -0.611  -2.198   0.264
   48   3HB   ALA   6          3HB       ALA   6  -2.188  -1.714  -0.359
   49    H    ILE   7           H        ILE   7  -0.943   1.762  -1.071
   50    HA   ILE   7           HA       ILE   7   1.701   2.275   0.096
   51    HB   ILE   7           HB       ILE   7   1.917   2.768  -2.279
   52   1HG1  ILE   7          2HG1      ILE   7   1.744   5.331  -0.678
   53   2HG1  ILE   7          1HG1      ILE   7   3.081   4.187  -0.588
   54   1HG2  ILE   7          1HG2      ILE   7  -0.720   3.803  -1.954
   55   2HG2  ILE   7          2HG2      ILE   7   0.189   3.528  -3.440
   56   3HG2  ILE   7          3HG2      ILE   7   0.323   5.071  -2.599
   57   1HD1  ILE   7          1HD1      ILE   7   3.893   4.770  -2.644
   58   2HD1  ILE   7          2HD1      ILE   7   3.218   6.310  -2.108
   59   3HD1  ILE   7          3HD1      ILE   7   2.320   5.297  -3.240
   60    H    GLY   8           H        GLY   8   1.740   3.778   1.690
   61   1HA   GLY   8          2HA       GLY   8  -0.463   5.655   1.994
   62   2HA   GLY   8          1HA       GLY   8  -0.335   4.432   3.248
   63    H    SER   9           H        SER   9  -0.009   7.405   3.277
   64    HA   SER   9           HA       SER   9   2.588   7.443   4.655
   65   1HB   SER   9          2HB       SER   9   3.051   8.544   2.582
   66   2HB   SER   9          1HB       SER   9   1.564   9.486   2.675
   67    HG   SER   9           HG       SER   9   3.162  10.826   3.356
   68    H    ASN  10           H        ASN  10   2.793   9.219   6.211
   69    HA   ASN  10           HA       ASN  10   0.181  10.041   7.296
   70   1HB   ASN  10          2HB       ASN  10   2.697   9.367   8.837
   71   2HB   ASN  10          1HB       ASN  10   1.180   9.916   9.544
   72   1HD2  ASN  10          1HD2      ASN  10  -0.033   8.373  10.338
   73   2HD2  ASN  10          2HD2      ASN  10  -0.080   6.730   9.807
   74    H    LEU  11           H        LEU  11   2.139  11.451   9.354
   75    HA   LEU  11           HA       LEU  11   2.945  13.552   9.667
   76   1HB   LEU  11          2HB       LEU  11   3.608  13.244   6.739
   77   2HB   LEU  11          1HB       LEU  11   4.104  14.626   7.701
   78    HG   LEU  11           HG       LEU  11   4.954  11.756   8.108
   79   1HD1  LEU  11          1HD1      LEU  11   6.002  13.971   6.583
   80   2HD1  LEU  11          2HD1      LEU  11   6.513  12.283   6.616
   81   3HD1  LEU  11          3HD1      LEU  11   7.157  13.423   7.798
   82   1HD2  LEU  11          1HD2      LEU  11   6.581  13.068   9.723
   83   2HD2  LEU  11          2HD2      LEU  11   5.009  12.488  10.273
   84   3HD2  LEU  11          3HD2      LEU  11   5.215  14.179   9.814
   85    H    ALA  12           H        ALA  12   2.714  15.897   8.893
   86    HA   ALA  12           HA       ALA  12  -0.061  16.451   8.585
   87   1HB   ALA  12          1HB       ALA  12   1.547  18.761   8.061
   88   2HB   ALA  12          2HB       ALA  12   2.224  17.863   9.420
   89   3HB   ALA  12          3HB       ALA  12   0.544  18.399   9.466
   90    H    SER  13           H        SER  13   2.568  16.045   6.416
   91    HA   SER  13           HA       SER  13   0.817  16.727   4.166
   92   1HB   SER  13          2HB       SER  13   2.335  18.626   4.458
   93   2HB   SER  13          1HB       SER  13   3.724  17.540   4.421
   94    HG   SER  13           HG       SER  13   3.323  18.539   2.390
   95    HA   PRO  14           HA       PRO  14   2.693  12.525   3.665
   96   1HB   PRO  14          2HB       PRO  14   0.430  11.284   2.874
   97   2HB   PRO  14          1HB       PRO  14   0.818  11.548   4.578
   98   1HG   PRO  14          2HG       PRO  14  -1.019  13.093   2.793
   99   2HG   PRO  14          1HG       PRO  14  -1.257  12.588   4.475
  100   1HD   PRO  14          2HD       PRO  14  -0.492  15.103   3.764
  101   2HD   PRO  14          1HD       PRO  14  -0.041  14.348   5.305
  102    H    LEU  15           H        LEU  15   2.317  14.895   1.733
  103    HA   LEU  15           HA       LEU  15   1.659  13.587  -0.759
  104   1HB   LEU  15          2HB       LEU  15   1.008  15.907  -0.398
  105   2HB   LEU  15          1HB       LEU  15   2.685  16.364  -0.178
  106    HG   LEU  15           HG       LEU  15   3.136  15.716  -2.534
  107   1HD1  LEU  15          1HD1      LEU  15   1.334  15.263  -4.049
  108   2HD1  LEU  15          2HD1      LEU  15   0.142  15.469  -2.766
  109   3HD1  LEU  15          3HD1      LEU  15   1.258  14.103  -2.723
  110   1HD2  LEU  15          1HD2      LEU  15   0.960  17.760  -2.109
  111   2HD2  LEU  15          2HD2      LEU  15   1.980  17.641  -3.542
  112   3HD2  LEU  15          3HD2      LEU  15   2.697  18.033  -1.979
  113    H    GLU  16           H        GLU  16   4.565  15.033   0.700
  114    HA   GLU  16           HA       GLU  16   6.256  14.319  -1.475
  115   1HB   GLU  16          2HB       GLU  16   6.937  15.111   1.362
  116   2HB   GLU  16          1HB       GLU  16   8.114  14.919   0.070
  117   1HG   GLU  16          2HG       GLU  16   7.749  17.204   0.151
  118   2HG   GLU  16          1HG       GLU  16   6.737  16.671  -1.188
  119    H    GLN  17           H        GLN  17   5.444  12.803   1.597
  120    HA   GLN  17           HA       GLN  17   7.457  10.804   1.482
  121   1HB   GLN  17          2HB       GLN  17   4.823  10.609   2.944
  122   2HB   GLN  17          1HB       GLN  17   6.326   9.783   3.322
  123   1HG   GLN  17          2HG       GLN  17   5.956  12.763   3.462
  124   2HG   GLN  17          1HG       GLN  17   5.792  11.671   4.835
  125   1HE2  GLN  17          1HE2      GLN  17   8.087  10.190   3.199
  126   2HE2  GLN  17          2HE2      GLN  17   9.501  10.963   3.818
  127    H    VAL  18           H        VAL  18   3.971  10.730   0.690
  128    HA   VAL  18           HA       VAL  18   3.854   8.064  -0.128
  129    HB   VAL  18           HB       VAL  18   1.862   9.532   0.183
  130   1HG1  VAL  18          1HG1      VAL  18   1.771  10.510  -2.535
  131   2HG1  VAL  18          2HG1      VAL  18   3.131  11.188  -1.639
  132   3HG1  VAL  18          3HG1      VAL  18   1.489  11.362  -1.019
  133   1HG2  VAL  18          1HG2      VAL  18   1.696   7.363  -0.940
  134   2HG2  VAL  18          2HG2      VAL  18   1.998   8.148  -2.490
  135   3HG2  VAL  18          3HG2      VAL  18   0.533   8.523  -1.583
  136    H    ASN  19           H        ASN  19   4.976  10.930  -1.789
  137    HA   ASN  19           HA       ASN  19   5.183   9.745  -4.371
  138   1HB   ASN  19          2HB       ASN  19   6.476  12.211  -3.192
  139   2HB   ASN  19          1HB       ASN  19   6.612  11.741  -4.882
  140   1HD2  ASN  19          1HD2      ASN  19   3.625  10.773  -3.955
  141   2HD2  ASN  19          2HD2      ASN  19   2.714  12.167  -4.406
  142    H    ALA  20           H        ALA  20   7.129   9.734  -1.514
  143    HA   ALA  20           HA       ALA  20   9.670   9.238  -2.586
  144   1HB   ALA  20          1HB       ALA  20  10.243   8.296  -0.452
  145   2HB   ALA  20          2HB       ALA  20   8.541   8.057  -0.055
  146   3HB   ALA  20          3HB       ALA  20   9.195   9.689  -0.187
  147    H    ALA  21           H        ALA  21   7.095   7.014  -1.616
  148    HA   ALA  21           HA       ALA  21   8.447   4.664  -2.542
  149   1HB   ALA  21          1HB       ALA  21   5.601   5.267  -1.776
  150   2HB   ALA  21          2HB       ALA  21   6.777   4.239  -0.956
  151   3HB   ALA  21          3HB       ALA  21   6.047   3.710  -2.473
  152    H    LEU  22           H        LEU  22   6.157   6.958  -3.879
  153    HA   LEU  22           HA       LEU  22   5.564   5.590  -6.284
  154   1HB   LEU  22          2HB       LEU  22   5.442   8.507  -5.522
  155   2HB   LEU  22          1HB       LEU  22   4.867   7.897  -7.058
  156    HG   LEU  22           HG       LEU  22   3.787   7.119  -4.348
  157   1HD1  LEU  22          1HD1      LEU  22   2.001   8.424  -6.238
  158   2HD1  LEU  22          2HD1      LEU  22   3.349   9.447  -5.741
  159   3HD1  LEU  22          3HD1      LEU  22   2.277   8.750  -4.527
  160   1HD2  LEU  22          1HD2      LEU  22   2.168   6.507  -6.679
  161   2HD2  LEU  22          2HD2      LEU  22   2.625   5.483  -5.318
  162   3HD2  LEU  22          3HD2      LEU  22   3.714   5.659  -6.692
  163    H    LYS  23           H        LYS  23   8.298   7.252  -5.171
  164    HA   LYS  23           HA       LYS  23   9.351   8.095  -7.698
  165   1HB   LYS  23          2HB       LYS  23  10.026   9.259  -5.697
  166   2HB   LYS  23          1HB       LYS  23  10.587   7.764  -4.960
  167   1HG   LYS  23          2HG       LYS  23  12.336   7.609  -6.694
  168   2HG   LYS  23          1HG       LYS  23  11.804   9.169  -7.326
  169   1HD   LYS  23          2HD       LYS  23  12.329  10.242  -5.222
  170   2HD   LYS  23          1HD       LYS  23  12.763   8.686  -4.507
  171   1HE   LYS  23          2HE       LYS  23  14.157  10.004  -6.838
  172   2HE   LYS  23          1HE       LYS  23  14.742   9.975  -5.175
  173   1HZ   LYS  23          1HZ       LYS  23  15.250   7.756  -5.294
  174   2HZ   LYS  23          2HZ       LYS  23  15.590   8.236  -6.880
  175   3HZ   LYS  23          3HZ       LYS  23  14.139   7.439  -6.531
  176    H    ALA  24           H        ALA  24  10.129   5.476  -5.421
  177    HA   ALA  24           HA       ALA  24  11.966   4.209  -7.216
  178   1HB   ALA  24          1HB       ALA  24  10.951   2.468  -5.146
  179   2HB   ALA  24          2HB       ALA  24  11.373   4.052  -4.489
  180   3HB   ALA  24          3HB       ALA  24  12.578   3.112  -5.373
  181    H    LEU  25           H        LEU  25   8.670   3.486  -6.092
  182    HA   LEU  25           HA       LEU  25   8.268   1.150  -7.564
  183   1HB   LEU  25          2HB       LEU  25   6.762   2.155  -5.759
  184   2HB   LEU  25          1HB       LEU  25   6.126   3.201  -7.015
  185    HG   LEU  25           HG       LEU  25   5.338   1.243  -8.259
  186   1HD1  LEU  25          1HD1      LEU  25   7.188  -0.146  -6.768
  187   2HD1  LEU  25          2HD1      LEU  25   5.942  -0.853  -7.798
  188   3HD1  LEU  25          3HD1      LEU  25   5.647  -0.646  -6.071
  189   1HD2  LEU  25          1HD2      LEU  25   3.570   0.573  -6.687
  190   2HD2  LEU  25          2HD2      LEU  25   3.831   2.317  -6.695
  191   3HD2  LEU  25          3HD2      LEU  25   4.467   1.336  -5.375
  192    H    GLY  26           H        GLY  26   8.013   4.538  -8.443
  193   1HA   GLY  26          2HA       GLY  26   6.687   4.373 -10.875
  194   2HA   GLY  26          1HA       GLY  26   7.928   5.562 -10.499
  195    H    ASP  27           H        ASP  27  10.184   4.135 -10.273
  196    HA   ASP  27           HA       ASP  27  10.402   2.597 -12.770
  197   1HB   ASP  27          2HB       ASP  27  11.237   4.891 -13.146
  198   2HB   ASP  27          1HB       ASP  27  12.367   4.691 -11.811
  199    H    ILE  28           H        ILE  28  10.679   0.626 -11.936
  200    HA   ILE  28           HA       ILE  28  12.784   0.223  -9.913
  201    HB   ILE  28           HB       ILE  28  10.718  -1.850 -10.560
  202   1HG1  ILE  28          2HG1      ILE  28  10.355   0.508  -8.697
  203   2HG1  ILE  28          1HG1      ILE  28   9.403   0.153 -10.134
  204   1HG2  ILE  28          1HG2      ILE  28  12.278  -1.162  -8.080
  205   2HG2  ILE  28          2HG2      ILE  28  12.534  -2.541  -9.149
  206   3HG2  ILE  28          3HG2      ILE  28  11.064  -2.437  -8.181
  207   1HD1  ILE  28          1HD1      ILE  28   9.513  -1.623  -7.712
  208   2HD1  ILE  28          2HD1      ILE  28   8.425  -1.757  -9.093
  209   3HD1  ILE  28          3HD1      ILE  28   8.284  -0.390  -7.989
  210    HA   PRO  29           HA       PRO  29  15.679  -1.838 -12.553
  211   1HB   PRO  29          2HB       PRO  29  14.884  -4.164 -10.821
  212   2HB   PRO  29          1HB       PRO  29  16.479  -3.732 -11.439
  213   1HG   PRO  29          2HG       PRO  29  15.729  -3.060  -8.959
  214   2HG   PRO  29          1HG       PRO  29  16.744  -1.991  -9.941
  215   1HD   PRO  29          2HD       PRO  29  13.962  -1.645  -9.098
  216   2HD   PRO  29          1HD       PRO  29  15.089  -0.446  -9.762
  217    H    GLU  30           H        GLU  30  12.804  -3.873 -11.788
  218    HA   GLU  30           HA       GLU  30  12.597  -4.430 -14.668
  219   1HB   GLU  30          2HB       GLU  30  12.295  -6.536 -12.527
  220   2HB   GLU  30          1HB       GLU  30  12.187  -6.779 -14.265
  221   1HG   GLU  30          2HG       GLU  30  14.545  -6.144 -14.488
  222   2HG   GLU  30          1HG       GLU  30  14.642  -5.949 -12.736
  223    H    SER  31           H        SER  31  11.060  -2.906 -12.397
  224    HA   SER  31           HA       SER  31   8.425  -4.074 -12.979
  225   1HB   SER  31          2HB       SER  31   9.214  -2.265 -10.689
  226   2HB   SER  31          1HB       SER  31   7.618  -2.957 -10.955
  227    HG   SER  31           HG       SER  31   9.108  -5.013 -10.995
  228    H    HIS  32           H        HIS  32   6.667  -2.227 -12.652
  229    HA   HIS  32           HA       HIS  32   7.254   0.388 -13.488
  230   1HB   HIS  32          2HB       HIS  32   7.795  -0.843 -15.611
  231   2HB   HIS  32          1HB       HIS  32   6.116  -1.357 -15.662
  232    HD1  HIS  32           1HD      HIS  32   6.668   0.055 -18.067
  233    HD2  HIS  32           2HD      HIS  32   5.921   2.185 -14.577
  234    HE1  HIS  32           1HE      HIS  32   5.992   2.359 -18.817
  235    HE2  HIS  32           2HE      HIS  32   5.640   3.655 -16.686
  236    H    ILE  33           H        ILE  33   5.640   1.515 -12.693
  237    HA   ILE  33           HA       ILE  33   3.322   0.392 -11.614
  238    HB   ILE  33           HB       ILE  33   3.946   3.239 -12.339
  239   1HG1  ILE  33          2HG1      ILE  33   4.231   1.636  -9.792
  240   2HG1  ILE  33          1HG1      ILE  33   5.532   2.284 -10.784
  241   1HG2  ILE  33          1HG2      ILE  33   1.761   2.131 -10.570
  242   2HG2  ILE  33          2HG2      ILE  33   1.547   2.995 -12.094
  243   3HG2  ILE  33          3HG2      ILE  33   2.197   3.837 -10.688
  244   1HD1  ILE  33          1HD1      ILE  33   4.780   4.551 -10.227
  245   2HD1  ILE  33          2HD1      ILE  33   5.256   3.611  -8.811
  246   3HD1  ILE  33          3HD1      ILE  33   3.547   3.858  -9.174
  247    H    LEU  34           H        LEU  34   1.127   0.582 -12.188
  248    HA   LEU  34           HA       LEU  34   0.552   1.296 -14.977
  249   1HB   LEU  34          2HB       LEU  34  -0.357  -1.223 -13.583
  250   2HB   LEU  34          1HB       LEU  34  -0.940  -0.679 -15.144
  251    HG   LEU  34           HG       LEU  34   1.913  -1.454 -14.522
  252   1HD1  LEU  34          1HD1      LEU  34  -0.427  -2.988 -15.283
  253   2HD1  LEU  34          2HD1      LEU  34   1.165  -3.539 -14.758
  254   3HD1  LEU  34          3HD1      LEU  34   0.883  -3.145 -16.453
  255   1HD2  LEU  34          1HD2      LEU  34   2.101  -1.393 -17.032
  256   2HD2  LEU  34          2HD2      LEU  34   1.937   0.178 -16.248
  257   3HD2  LEU  34          3HD2      LEU  34   0.549  -0.556 -17.052
  258    H    THR  35           H        THR  35  -1.107   0.130 -12.030
  259    HA   THR  35           HA       THR  35  -3.192   2.150 -12.513
  260    HB   THR  35           HB       THR  35  -4.569   0.726 -10.948
  261    HG1  THR  35           1HG      THR  35  -2.408  -1.068 -11.315
  262   1HG2  THR  35          1HG2      THR  35  -5.425  -0.151 -12.783
  263   2HG2  THR  35          2HG2      THR  35  -4.106  -1.318 -12.850
  264   3HG2  THR  35          3HG2      THR  35  -3.949   0.238 -13.666
  265    H    VAL  36           H        VAL  36  -3.359   3.819 -11.188
  266    HA   VAL  36           HA       VAL  36  -2.780   3.610  -8.386
  267    HB   VAL  36           HB       VAL  36  -0.521   3.972  -9.075
  268   1HG1  VAL  36          1HG1      VAL  36  -0.095   4.937 -11.026
  269   2HG1  VAL  36          2HG1      VAL  36  -0.481   6.493 -10.291
  270   3HG1  VAL  36          3HG1      VAL  36  -1.737   5.574 -11.121
  271   1HG2  VAL  36          1HG2      VAL  36  -1.150   5.195  -7.100
  272   2HG2  VAL  36          2HG2      VAL  36  -1.764   6.531  -8.074
  273   3HG2  VAL  36          3HG2      VAL  36  -0.035   6.178  -8.050
  274    H    SER  37           H        SER  37  -4.565   4.535  -7.615
  275    HA   SER  37           HA       SER  37  -5.064   7.275  -7.798
  276   1HB   SER  37          2HB       SER  37  -5.672   6.844 -10.133
  277   2HB   SER  37          1HB       SER  37  -6.854   5.641  -9.614
  278    HG   SER  37           HG       SER  37  -7.016   8.386  -9.621
  279    H    SER  38           H        SER  38  -5.589   7.264  -5.680
  280    HA   SER  38           HA       SER  38  -8.168   6.862  -4.816
  281   1HB   SER  38          2HB       SER  38  -8.024   4.814  -3.438
  282   2HB   SER  38          1HB       SER  38  -7.833   4.450  -5.153
  283    HG   SER  38           HG       SER  38  -5.922   4.429  -3.099
  284    H    PHE  39           H        PHE  39  -6.761   8.916  -4.251
  285    HA   PHE  39           HA       PHE  39  -5.318   8.570  -1.745
  286   1HB   PHE  39          2HB       PHE  39  -5.785  11.013  -3.457
  287   2HB   PHE  39          1HB       PHE  39  -4.885  11.024  -1.949
  288    HD1  PHE  39           1HD      PHE  39  -4.927   8.862  -4.992
  289    HD2  PHE  39           2HD      PHE  39  -2.616  11.180  -2.273
  290    HE1  PHE  39           1HE      PHE  39  -2.882   8.256  -6.219
  291    HE2  PHE  39           2HE      PHE  39  -0.567  10.580  -3.496
  292    HZ   PHE  39           HZ       PHE  39  -0.683   9.155  -5.464
  293    H    TYR  40           H        TYR  40  -6.809   8.095  -0.226
  294    HA   TYR  40           HA       TYR  40  -8.922  10.093   0.246
  295   1HB   TYR  40          2HB       TYR  40 -10.164   8.201   1.347
  296   2HB   TYR  40          1HB       TYR  40  -9.943   8.023  -0.392
  297    HD1  TYR  40           1HD      TYR  40  -9.246   5.966  -1.169
  298    HD2  TYR  40           2HD      TYR  40  -8.197   7.127   2.786
  299    HE1  TYR  40           1HE      TYR  40  -8.173   3.793  -0.818
  300    HE2  TYR  40           2HE      TYR  40  -7.120   4.955   3.142
  301    HH   TYR  40           HH       TYR  40  -6.080   3.082   1.040
  302    H    ARG  41           H        ARG  41  -9.773   9.631   2.659
  303    HA   ARG  41           HA       ARG  41  -7.453  10.164   4.361
  304   1HB   ARG  41          2HB       ARG  41  -9.260  11.827   4.350
  305   2HB   ARG  41          1HB       ARG  41 -10.405  10.595   4.863
  306   1HG   ARG  41          2HG       ARG  41  -9.137  10.318   6.951
  307   2HG   ARG  41          1HG       ARG  41  -8.051  11.611   6.440
  308   1HD   ARG  41          2HD       ARG  41  -9.739  12.452   7.980
  309   2HD   ARG  41          1HD       ARG  41  -9.932  13.170   6.380
  310    HE   ARG  41           HE       ARG  41 -11.576  10.917   6.528
  311   1HH1  ARG  41          1HH1      ARG  41 -11.297  14.077   7.969
  312   2HH1  ARG  41          2HH1      ARG  41 -12.996  14.233   8.266
  313   1HH2  ARG  41          1HH2      ARG  41 -13.816  11.114   6.914
  314   2HH2  ARG  41          2HH2      ARG  41 -14.427  12.549   7.668
  315    H    THR  42           H        THR  42  -7.217   9.153   6.411
  316    HA   THR  42           HA       THR  42  -8.878   6.829   6.976
  317    HB   THR  42           HB       THR  42  -5.879   6.623   6.636
  318    HG1  THR  42           1HG      THR  42  -6.417   6.165   4.673
  319   1HG2  THR  42          1HG2      THR  42  -5.901   4.498   7.420
  320   2HG2  THR  42          2HG2      THR  42  -7.593   4.235   6.993
  321   3HG2  THR  42          3HG2      THR  42  -7.179   5.180   8.426
  322    HA   PRO  43           HA       PRO  43  -7.903   8.517  11.003
  323   1HB   PRO  43          2HB       PRO  43  -9.923   7.389  12.334
  324   2HB   PRO  43          1HB       PRO  43 -10.214   8.669  11.149
  325   1HG   PRO  43          2HG       PRO  43 -10.640   5.731  10.912
  326   2HG   PRO  43          1HG       PRO  43 -11.580   7.064  10.220
  327   1HD   PRO  43          2HD       PRO  43  -9.622   5.535   8.897
  328   2HD   PRO  43          1HD       PRO  43 -10.337   7.054   8.325
  329    HA   PRO  44           HA       PRO  44  -5.310   5.020  12.269
  330   1HB   PRO  44          2HB       PRO  44  -4.741   6.915  14.492
  331   2HB   PRO  44          1HB       PRO  44  -3.619   6.029  13.453
  332   1HG   PRO  44          2HG       PRO  44  -4.000   8.632  13.097
  333   2HG   PRO  44          1HG       PRO  44  -3.838   7.544  11.703
  334   1HD   PRO  44          2HD       PRO  44  -6.306   8.764  12.879
  335   2HD   PRO  44          1HD       PRO  44  -5.869   8.530  11.174
  336    H    LEU  45           H        LEU  45  -6.309   6.800  15.169
  337    HA   LEU  45           HA       LEU  45  -7.356   6.143  17.076
  338   1HB   LEU  45          2HB       LEU  45  -8.920   4.590  15.026
  339   2HB   LEU  45          1HB       LEU  45  -9.332   4.567  16.730
  340    HG   LEU  45           HG       LEU  45 -10.746   6.136  15.540
  341   1HD1  LEU  45          1HD1      LEU  45 -10.518   8.001  16.966
  342   2HD1  LEU  45          2HD1      LEU  45  -8.785   7.737  17.157
  343   3HD1  LEU  45          3HD1      LEU  45  -9.934   6.610  17.878
  344   1HD2  LEU  45          1HD2      LEU  45  -9.978   7.946  14.275
  345   2HD2  LEU  45          2HD2      LEU  45  -8.966   6.594  13.767
  346   3HD2  LEU  45          3HD2      LEU  45  -8.333   7.794  14.893
  347    H    GLY  46           H        GLY  46  -4.957   4.873  16.688
  348   1HA   GLY  46          2HA       GLY  46  -5.186   2.658  18.423
  349   2HA   GLY  46          1HA       GLY  46  -4.961   2.084  16.776
  350    HA   PRO  47           HA       PRO  47  -0.613   2.601  17.223
  351   1HB   PRO  47          2HB       PRO  47  -0.374   3.554  14.466
  352   2HB   PRO  47          1HB       PRO  47   0.175   2.036  15.175
  353   1HG   PRO  47          2HG       PRO  47  -1.876   2.146  13.428
  354   2HG   PRO  47          1HG       PRO  47  -1.811   0.958  14.744
  355   1HD   PRO  47          2HD       PRO  47  -3.344   3.531  14.583
  356   2HD   PRO  47          1HD       PRO  47  -3.864   1.947  15.199
  357    H    GLN  48           H        GLN  48  -2.495   5.245  15.952
  358    HA   GLN  48           HA       GLN  48  -0.517   7.127  17.044
  359   1HB   GLN  48          2HB       GLN  48  -2.008   7.441  14.432
  360   2HB   GLN  48          1HB       GLN  48  -0.966   8.655  15.161
  361   1HG   GLN  48          2HG       GLN  48   0.958   7.249  14.889
  362   2HG   GLN  48          1HG       GLN  48  -0.047   5.916  14.323
  363   1HE2  GLN  48          1HE2      GLN  48  -1.451   8.554  13.056
  364   2HE2  GLN  48          2HE2      GLN  48  -0.639   8.637  11.537
  365    H    ASP  49           H        ASP  49  -2.043   9.448  16.324
  366    HA   ASP  49           HA       ASP  49  -4.560   9.054  17.776
  367   1HB   ASP  49          2HB       ASP  49  -4.125  11.076  19.128
  368   2HB   ASP  49          1HB       ASP  49  -2.961   9.795  19.450
  369    H    GLN  50           H        GLN  50  -2.575  11.395  15.963
  370    HA   GLN  50           HA       GLN  50  -4.766  13.059  15.290
  371   1HB   GLN  50          2HB       GLN  50  -3.196  14.042  13.608
  372   2HB   GLN  50          1HB       GLN  50  -2.576  14.006  15.249
  373   1HG   GLN  50          2HG       GLN  50  -0.765  13.368  13.957
  374   2HG   GLN  50          1HG       GLN  50  -1.403  11.840  14.560
  375   1HE2  GLN  50          1HE2      GLN  50  -1.297  10.325  13.079
  376   2HE2  GLN  50          2HE2      GLN  50  -1.591  10.523  11.388
  377    HA   PRO  51           HA       PRO  51  -6.323  10.582  11.943
  378   1HB   PRO  51          2HB       PRO  51  -8.556  11.960  11.487
  379   2HB   PRO  51          1HB       PRO  51  -8.328  11.086  13.006
  380   1HG   PRO  51          2HG       PRO  51  -8.131  14.004  12.450
  381   2HG   PRO  51          1HG       PRO  51  -8.711  13.172  13.903
  382   1HD   PRO  51          2HD       PRO  51  -6.146  14.283  13.507
  383   2HD   PRO  51          1HD       PRO  51  -6.643  13.215  14.834
  384    H    ASP  52           H        ASP  52  -4.520  11.189  10.521
  385    HA   ASP  52           HA       ASP  52  -5.471  12.764   8.279
  386   1HB   ASP  52          2HB       ASP  52  -2.884  13.430   9.700
  387   2HB   ASP  52          1HB       ASP  52  -3.371  14.085   8.140
  388    H    TYR  53           H        TYR  53  -4.854   9.940   8.844
  389    HA   TYR  53           HA       TYR  53  -2.406   9.347   7.453
  390   1HB   TYR  53          2HB       TYR  53  -3.289   7.893   9.257
  391   2HB   TYR  53          1HB       TYR  53  -4.675   7.504   8.245
  392    HD1  TYR  53           1HD      TYR  53  -4.435   5.198   7.885
  393    HD2  TYR  53           2HD      TYR  53  -1.105   7.767   7.241
  394    HE1  TYR  53           1HE      TYR  53  -3.189   3.327   6.889
  395    HE2  TYR  53           2HE      TYR  53   0.149   5.901   6.246
  396    HH   TYR  53           HH       TYR  53   0.048   3.287   6.468
  397    H    LEU  54           H        LEU  54  -2.348   9.864   5.354
  398    HA   LEU  54           HA       LEU  54  -4.667   9.467   3.643
  399   1HB   LEU  54          2HB       LEU  54  -3.366  11.499   3.360
  400   2HB   LEU  54          1HB       LEU  54  -1.909  10.563   3.085
  401    HG   LEU  54           HG       LEU  54  -3.222   9.576   1.067
  402   1HD1  LEU  54          1HD1      LEU  54  -5.286  10.962   1.984
  403   2HD1  LEU  54          2HD1      LEU  54  -5.042  10.663   0.264
  404   3HD1  LEU  54          3HD1      LEU  54  -4.572  12.211   0.968
  405   1HD2  LEU  54          1HD2      LEU  54  -1.443  10.707   0.310
  406   2HD2  LEU  54          2HD2      LEU  54  -1.716  12.076   1.389
  407   3HD2  LEU  54          3HD2      LEU  54  -2.639  11.935  -0.109
  408    H    ASN  55           H        ASN  55  -4.632   8.124   1.753
  409    HA   ASN  55           HA       ASN  55  -2.392   6.271   1.509
  410   1HB   ASN  55          2HB       ASN  55  -5.216   5.333   2.042
  411   2HB   ASN  55          1HB       ASN  55  -3.906   4.297   1.499
  412   1HD2  ASN  55          1HD2      ASN  55  -2.913   3.219   3.023
  413   2HD2  ASN  55          2HD2      ASN  55  -2.795   3.670   4.685
  414    H    ALA  56           H        ALA  56  -2.691   4.767  -0.352
  415    HA   ALA  56           HA       ALA  56  -4.501   5.607  -2.441
  416   1HB   ALA  56          1HB       ALA  56  -1.543   6.098  -2.612
  417   2HB   ALA  56          2HB       ALA  56  -2.864   7.228  -2.905
  418   3HB   ALA  56          3HB       ALA  56  -2.549   5.923  -4.049
  419    H    ALA  57           H        ALA  57  -4.017   4.275  -4.497
  420    HA   ALA  57           HA       ALA  57  -3.105   1.585  -3.699
  421   1HB   ALA  57          1HB       ALA  57  -5.076   1.678  -5.859
  422   2HB   ALA  57          2HB       ALA  57  -5.684   2.241  -4.302
  423   3HB   ALA  57          3HB       ALA  57  -4.988   0.627  -4.447
  424    H    VAL  58           H        VAL  58  -1.488   0.807  -4.876
  425    HA   VAL  58           HA       VAL  58  -1.208   1.699  -7.655
  426    HB   VAL  58           HB       VAL  58   1.165   1.472  -5.814
  427   1HG1  VAL  58          1HG1      VAL  58   2.052   2.987  -7.762
  428   2HG1  VAL  58          2HG1      VAL  58   0.734   2.232  -8.661
  429   3HG1  VAL  58          3HG1      VAL  58   1.993   1.232  -7.937
  430   1HG2  VAL  58          1HG2      VAL  58   1.145   4.054  -6.151
  431   2HG2  VAL  58          2HG2      VAL  58   0.140   3.325  -4.899
  432   3HG2  VAL  58          3HG2      VAL  58  -0.581   3.816  -6.433
  433    H    ALA  59           H        ALA  59  -1.587  -0.150  -8.685
  434    HA   ALA  59           HA       ALA  59  -0.282  -2.617  -7.814
  435   1HB   ALA  59          1HB       ALA  59  -1.951  -3.249  -9.943
  436   2HB   ALA  59          2HB       ALA  59  -2.845  -2.020  -9.047
  437   3HB   ALA  59          3HB       ALA  59  -2.302  -3.487  -8.232
  438    H    LEU  60           H        LEU  60   1.745  -2.359  -8.597
  439    HA   LEU  60           HA       LEU  60   2.110  -1.618 -11.395
  440   1HB   LEU  60          2HB       LEU  60   3.597  -0.355 -10.248
  441   2HB   LEU  60          1HB       LEU  60   3.725  -1.503  -8.933
  442    HG   LEU  60           HG       LEU  60   5.036  -2.073 -11.576
  443   1HD1  LEU  60          1HD1      LEU  60   5.588   0.226 -10.269
  444   2HD1  LEU  60          2HD1      LEU  60   6.775  -0.690 -11.197
  445   3HD1  LEU  60          3HD1      LEU  60   6.682  -0.884  -9.447
  446   1HD2  LEU  60          1HD2      LEU  60   5.862  -3.839 -10.497
  447   2HD2  LEU  60          2HD2      LEU  60   4.783  -3.453  -9.157
  448   3HD2  LEU  60          3HD2      LEU  60   6.432  -2.827  -9.169
  449    H    GLU  61           H        GLU  61   3.187  -2.852 -12.891
  450    HA   GLU  61           HA       GLU  61   3.107  -5.708 -12.437
  451   1HB   GLU  61          2HB       GLU  61   3.782  -5.866 -14.826
  452   2HB   GLU  61          1HB       GLU  61   2.333  -4.900 -14.589
  453   1HG   GLU  61          2HG       GLU  61   3.561  -2.868 -14.892
  454   2HG   GLU  61          1HG       GLU  61   5.090  -3.743 -14.927
  455    H    THR  62           H        THR  62   4.737  -6.443 -11.197
  456    HA   THR  62           HA       THR  62   7.423  -5.402 -11.656
  457    HB   THR  62           HB       THR  62   6.771  -5.321  -9.345
  458    HG1  THR  62           1HG      THR  62   8.909  -6.281 -10.006
  459   1HG2  THR  62          1HG2      THR  62   5.123  -7.359  -9.722
  460   2HG2  THR  62          2HG2      THR  62   5.755  -6.931  -8.132
  461   3HG2  THR  62          3HG2      THR  62   6.492  -8.245  -9.051
  462    H    SER  63           H        SER  63   9.111  -7.064 -11.143
  463    HA   SER  63           HA       SER  63   8.595  -9.667 -12.391
  464   1HB   SER  63          2HB       SER  63  10.848  -7.766 -13.103
  465   2HB   SER  63          1HB       SER  63  10.764  -9.449 -13.625
  466    HG   SER  63           HG       SER  63   8.578  -7.784 -14.137
  467    H    LEU  64           H        LEU  64   9.741  -7.671 -10.087
  468    HA   LEU  64           HA       LEU  64  11.504  -9.640  -8.829
  469   1HB   LEU  64          2HB       LEU  64  12.088  -7.546  -7.417
  470   2HB   LEU  64          1HB       LEU  64  12.774  -7.689  -9.025
  471    HG   LEU  64           HG       LEU  64  10.232  -6.152  -8.629
  472   1HD1  LEU  64          1HD1      LEU  64  12.677  -5.555  -7.315
  473   2HD1  LEU  64          2HD1      LEU  64  11.211  -4.579  -7.401
  474   3HD1  LEU  64          3HD1      LEU  64  12.467  -4.392  -8.624
  475   1HD2  LEU  64          1HD2      LEU  64  12.239  -6.567 -10.703
  476   2HD2  LEU  64          2HD2      LEU  64  11.868  -4.866 -10.421
  477   3HD2  LEU  64          3HD2      LEU  64  10.576  -5.995 -10.832
  478    H    ALA  65           H        ALA  65   9.962 -10.848  -7.757
  479    HA   ALA  65           HA       ALA  65   7.585 -10.245  -6.695
  480   1HB   ALA  65          1HB       ALA  65   9.749 -11.967  -5.527
  481   2HB   ALA  65          2HB       ALA  65   8.332 -12.457  -6.455
  482   3HB   ALA  65          3HB       ALA  65   8.143 -11.861  -4.808
  483    HA   PRO  66           HA       PRO  66   7.422  -6.954  -3.756
  484   1HB   PRO  66          2HB       PRO  66   6.457  -9.199  -2.006
  485   2HB   PRO  66          1HB       PRO  66   5.867  -7.532  -2.109
  486   1HG   PRO  66          2HG       PRO  66   4.613  -9.481  -3.404
  487   2HG   PRO  66          1HG       PRO  66   4.828  -7.879  -4.127
  488   1HD   PRO  66          2HD       PRO  66   6.115 -10.441  -4.842
  489   2HD   PRO  66          1HD       PRO  66   5.905  -8.978  -5.826
  490    H    GLU  67           H        GLU  67   9.090  -9.937  -3.031
  491    HA   GLU  67           HA       GLU  67  10.225  -9.229  -0.579
  492   1HB   GLU  67          2HB       GLU  67  11.522 -10.855  -2.782
  493   2HB   GLU  67          1HB       GLU  67  11.886 -10.928  -1.061
  494   1HG   GLU  67          2HG       GLU  67   9.725 -11.860  -0.588
  495   2HG   GLU  67          1HG       GLU  67   9.228 -11.659  -2.270
  496    H    GLU  68           H        GLU  68  11.419  -8.936  -3.881
  497    HA   GLU  68           HA       GLU  68  13.569  -7.160  -3.159
  498   1HB   GLU  68          2HB       GLU  68  12.652  -7.622  -5.959
  499   2HB   GLU  68          1HB       GLU  68  14.277  -7.439  -5.339
  500   1HG   GLU  68          2HG       GLU  68  12.540  -9.830  -4.881
  501   2HG   GLU  68          1HG       GLU  68  13.779  -9.716  -6.129
  502    H    LEU  69           H        LEU  69  10.493  -7.008  -4.923
  503    HA   LEU  69           HA       LEU  69  10.514  -4.416  -5.832
  504   1HB   LEU  69          2HB       LEU  69   8.641  -5.447  -6.539
  505   2HB   LEU  69          1HB       LEU  69   8.413  -6.342  -5.060
  506    HG   LEU  69           HG       LEU  69   7.673  -4.046  -4.072
  507   1HD1  LEU  69          1HD1      LEU  69   7.051  -2.356  -5.477
  508   2HD1  LEU  69          2HD1      LEU  69   6.861  -3.426  -6.865
  509   3HD1  LEU  69          3HD1      LEU  69   8.474  -2.973  -6.316
  510   1HD2  LEU  69          1HD2      LEU  69   6.229  -6.063  -4.544
  511   2HD2  LEU  69          2HD2      LEU  69   5.832  -5.317  -6.090
  512   3HD2  LEU  69          3HD2      LEU  69   5.400  -4.507  -4.584
  513    H    LEU  70           H        LEU  70   9.873  -5.605  -2.595
  514    HA   LEU  70           HA       LEU  70   9.120  -3.047  -1.576
  515   1HB   LEU  70          2HB       LEU  70   9.525  -5.746  -0.453
  516   2HB   LEU  70          1HB       LEU  70   9.791  -4.408   0.653
  517    HG   LEU  70           HG       LEU  70   7.521  -5.131   0.887
  518   1HD1  LEU  70          1HD1      LEU  70   6.585  -2.907  -0.526
  519   2HD1  LEU  70          2HD1      LEU  70   8.241  -2.519  -0.062
  520   3HD1  LEU  70          3HD1      LEU  70   7.065  -2.979   1.169
  521   1HD2  LEU  70          1HD2      LEU  70   5.963  -4.945  -1.099
  522   2HD2  LEU  70          2HD2      LEU  70   7.089  -6.301  -1.125
  523   3HD2  LEU  70          3HD2      LEU  70   7.407  -4.873  -2.109
  524    H    ASN  71           H        ASN  71  12.119  -4.927  -1.707
  525    HA   ASN  71           HA       ASN  71  13.723  -3.514   0.018
  526   1HB   ASN  71          2HB       ASN  71  14.477  -4.455  -2.759
  527   2HB   ASN  71          1HB       ASN  71  15.622  -3.982  -1.512
  528   1HD2  ASN  71          1HD2      ASN  71  12.984  -5.523  -0.139
  529   2HD2  ASN  71          2HD2      ASN  71  13.648  -7.110  -0.025
  530    H    HIS  72           H        HIS  72  12.761  -2.592  -3.262
  531    HA   HIS  72           HA       HIS  72  14.290  -0.170  -3.239
  532   1HB   HIS  72          2HB       HIS  72  12.176  -1.194  -5.138
  533   2HB   HIS  72          1HB       HIS  72  13.137   0.259  -5.406
  534    HD1  HIS  72           1HD      HIS  72  15.777  -0.154  -5.673
  535    HD2  HIS  72           2HD      HIS  72  13.378  -3.542  -5.881
  536    HE1  HIS  72           1HE      HIS  72  17.224  -1.943  -6.690
  537    HE2  HIS  72           2HE      HIS  72  15.774  -4.001  -6.741
  538    H    THR  73           H        THR  73  10.780  -0.882  -3.113
  539    HA   THR  73           HA       THR  73   9.889   1.749  -2.962
  540    HB   THR  73           HB       THR  73   7.906   0.844  -1.794
  541    HG1  THR  73           1HG      THR  73   9.131  -0.698  -0.526
  542   1HG2  THR  73          1HG2      THR  73   7.661  -1.260  -3.443
  543   2HG2  THR  73          2HG2      THR  73   8.968  -0.385  -4.242
  544   3HG2  THR  73          3HG2      THR  73   7.425   0.415  -3.942
  545    H    GLN  74           H        GLN  74  10.866  -0.428  -0.359
  546    HA   GLN  74           HA       GLN  74  10.585   1.557   1.679
  547   1HB   GLN  74          2HB       GLN  74  11.246  -0.112   3.206
  548   2HB   GLN  74          1HB       GLN  74  10.315  -0.958   1.982
  549   1HG   GLN  74          2HG       GLN  74  12.100  -2.365   2.322
  550   2HG   GLN  74          1HG       GLN  74  12.600  -1.452   0.901
  551   1HE2  GLN  74          1HE2      GLN  74  14.641  -0.874   0.957
  552   2HE2  GLN  74          2HE2      GLN  74  15.556  -0.472   2.364
  553    H    ARG  75           H        ARG  75  12.889   0.854  -0.661
  554    HA   ARG  75           HA       ARG  75  15.282   1.471   0.743
  555   1HB   ARG  75          2HB       ARG  75  15.230   0.329  -1.468
  556   2HB   ARG  75          1HB       ARG  75  14.676   1.823  -2.204
  557   1HG   ARG  75          2HG       ARG  75  16.771   2.910  -1.524
  558   2HG   ARG  75          1HG       ARG  75  17.325   1.376  -0.846
  559   1HD   ARG  75          2HD       ARG  75  17.089   0.349  -3.089
  560   2HD   ARG  75          1HD       ARG  75  16.651   1.932  -3.733
  561    HE   ARG  75           HE       ARG  75  19.103   2.163  -2.399
  562   1HH1  ARG  75          1HH1      ARG  75  17.759   0.671  -5.248
  563   2HH1  ARG  75          2HH1      ARG  75  19.243   0.735  -6.137
  564   1HH2  ARG  75          1HH2      ARG  75  21.059   2.251  -3.560
  565   2HH2  ARG  75          2HH2      ARG  75  21.120   1.633  -5.176
  566    H    ILE  76           H        ILE  76  12.798   3.318  -0.832
  567    HA   ILE  76           HA       ILE  76  14.246   5.805  -0.654
  568    HB   ILE  76           HB       ILE  76  11.332   5.384  -1.308
  569   1HG1  ILE  76          2HG1      ILE  76  12.773   4.132  -2.855
  570   2HG1  ILE  76          1HG1      ILE  76  12.023   5.506  -3.663
  571   1HG2  ILE  76          1HG2      ILE  76  13.107   7.693  -2.056
  572   2HG2  ILE  76          2HG2      ILE  76  12.108   7.678  -0.604
  573   3HG2  ILE  76          3HG2      ILE  76  11.353   7.578  -2.195
  574   1HD1  ILE  76          1HD1      ILE  76  14.036   6.092  -4.364
  575   2HD1  ILE  76          2HD1      ILE  76  14.799   4.857  -3.360
  576   3HD1  ILE  76          3HD1      ILE  76  14.463   6.454  -2.692
  577    H    GLU  77           H        GLU  77  11.241   4.500   0.843
  578    HA   GLU  77           HA       GLU  77  10.836   6.629   2.585
  579   1HB   GLU  77          2HB       GLU  77   9.541   5.092   4.003
  580   2HB   GLU  77          1HB       GLU  77   9.118   4.955   2.308
  581   1HG   GLU  77          2HG       GLU  77   9.172   2.770   2.886
  582   2HG   GLU  77          1HG       GLU  77  10.839   2.976   2.370
  583    H    LEU  78           H        LEU  78  13.270   4.229   2.640
  584    HA   LEU  78           HA       LEU  78  13.911   4.515   5.438
  585   1HB   LEU  78          2HB       LEU  78  14.380   2.475   3.965
  586   2HB   LEU  78          1HB       LEU  78  15.692   3.404   3.270
  587    HG   LEU  78           HG       LEU  78  15.483   2.745   6.211
  588   1HD1  LEU  78          1HD1      LEU  78  15.824   0.649   5.359
  589   2HD1  LEU  78          2HD1      LEU  78  17.490   1.221   5.467
  590   3HD1  LEU  78          3HD1      LEU  78  16.648   1.247   3.917
  591   1HD2  LEU  78          1HD2      LEU  78  18.126   3.153   5.527
  592   2HD2  LEU  78          2HD2      LEU  78  17.078   4.300   6.361
  593   3HD2  LEU  78          3HD2      LEU  78  17.269   4.391   4.611
  594    H    GLN  79           H        GLN  79  15.121   5.696   2.340
  595    HA   GLN  79           HA       GLN  79  16.997   7.479   3.707
  596   1HB   GLN  79          2HB       GLN  79  16.602   6.943   0.755
  597   2HB   GLN  79          1HB       GLN  79  17.864   7.952   1.450
  598   1HG   GLN  79          2HG       GLN  79  18.789   6.005   2.599
  599   2HG   GLN  79          1HG       GLN  79  17.522   4.996   1.905
  600   1HE2  GLN  79          1HE2      GLN  79  18.257   7.237  -0.382
  601   2HE2  GLN  79          2HE2      GLN  79  19.436   6.356  -1.282
  602    H    GLN  80           H        GLN  80  13.886   7.592   3.268
  603    HA   GLN  80           HA       GLN  80  13.814  10.388   2.355
  604   1HB   GLN  80          2HB       GLN  80  12.528   8.928   0.873
  605   2HB   GLN  80          1HB       GLN  80  11.621   8.305   2.246
  606   1HG   GLN  80          2HG       GLN  80  10.274   9.905   1.090
  607   2HG   GLN  80          1HG       GLN  80  10.736  10.576   2.651
  608   1HE2  GLN  80          1HE2      GLN  80  10.358  11.291  -0.509
  609   2HE2  GLN  80          2HE2      GLN  80  11.440  12.631  -0.647
  610    H    GLY  81           H        GLY  81  12.569   8.079   4.727
  611   1HA   GLY  81          2HA       GLY  81  11.482  10.308   6.306
  612   2HA   GLY  81          1HA       GLY  81  11.095   8.609   6.532
  613    H    ARG  82           H        ARG  82  14.288   8.529   6.101
  614    HA   ARG  82           HA       ARG  82  14.884   9.023   8.945
  615   1HB   ARG  82          2HB       ARG  82  15.977   6.804   7.203
  616   2HB   ARG  82          1HB       ARG  82  16.440   7.117   8.870
  617   1HG   ARG  82          2HG       ARG  82  14.197   6.608   9.623
  618   2HG   ARG  82          1HG       ARG  82  13.669   6.375   7.955
  619   1HD   ARG  82          2HD       ARG  82  14.094   4.235   9.039
  620   2HD   ARG  82          1HD       ARG  82  15.230   4.511   7.720
  621    HE   ARG  82           HE       ARG  82  16.388   5.417  10.106
  622   1HH1  ARG  82          1HH1      ARG  82  15.431   2.443   8.564
  623   2HH1  ARG  82          2HH1      ARG  82  16.625   1.486   9.376
  624   1HH2  ARG  82          1HH2      ARG  82  17.966   4.167  11.176
  625   2HH2  ARG  82          2HH2      ARG  82  18.066   2.467  10.863
  626    H    VAL  83           H        VAL  83  17.028   9.710   9.433
  627    HA   VAL  83           HA       VAL  83  18.925  10.937   9.119
  628    HB   VAL  83           HB       VAL  83  18.904   9.955   6.260
  629   1HG1  VAL  83          1HG1      VAL  83  21.406  10.345   7.787
  630   2HG1  VAL  83          2HG1      VAL  83  20.526  11.800   7.320
  631   3HG1  VAL  83          3HG1      VAL  83  21.051  10.654   6.087
  632   1HG2  VAL  83          1HG2      VAL  83  20.661   8.449   7.934
  633   2HG2  VAL  83          2HG2      VAL  83  19.317   7.884   6.943
  634   3HG2  VAL  83          3HG2      VAL  83  19.030   8.395   8.605
  635    H    ARG  84           H        ARG  84  16.053  11.604   7.883
  636    HA   ARG  84           HA       ARG  84  16.907  14.181   6.747
  637   1HB   ARG  84          2HB       ARG  84  14.536  12.498   5.906
  638   2HB   ARG  84          1HB       ARG  84  14.886  14.114   5.312
  639   1HG   ARG  84          2HG       ARG  84  16.662  11.708   4.950
  640   2HG   ARG  84          1HG       ARG  84  15.561  12.363   3.735
  641   1HD   ARG  84          2HD       ARG  84  17.900  13.808   4.973
  642   2HD   ARG  84          1HD       ARG  84  17.856  13.111   3.354
  643    HE   ARG  84           HE       ARG  84  15.723  14.906   3.611
  644   1HH1  ARG  84          1HH1      ARG  84  19.205  14.918   3.482
  645   2HH1  ARG  84          2HH1      ARG  84  19.302  16.499   2.782
  646   1HH2  ARG  84          1HH2      ARG  84  15.840  16.988   2.690
  647   2HH2  ARG  84          2HH2      ARG  84  17.389  17.676   2.331
  648    H    LYS  85           H        LYS  85  15.433  12.656   9.255
  649    HA   LYS  85           HA       LYS  85  14.093  13.294  10.971
  650   1HB   LYS  85          2HB       LYS  85  14.732  16.057   9.924
  651   2HB   LYS  85          1HB       LYS  85  13.978  15.720  11.477
  652   1HG   LYS  85          2HG       LYS  85  16.724  14.813  10.632
  653   2HG   LYS  85          1HG       LYS  85  16.370  16.177  11.695
  654   1HD   LYS  85          2HD       LYS  85  15.335  14.662  13.307
  655   2HD   LYS  85          1HD       LYS  85  15.650  13.295  12.237
  656   1HE   LYS  85          2HE       LYS  85  17.742  15.067  13.497
  657   2HE   LYS  85          1HE       LYS  85  17.309  13.445  14.035
  658   1HZ   LYS  85          1HZ       LYS  85  19.323  13.855  12.431
  659   2HZ   LYS  85          2HZ       LYS  85  18.119  13.803  11.244
  660   3HZ   LYS  85          3HZ       LYS  85  18.348  12.480  12.272
  661    H    ALA  86           H        ALA  86  12.875  12.650   8.450
  662    HA   ALA  86           HA       ALA  86  10.597  14.455   8.230
  663   1HB   ALA  86          1HB       ALA  86  10.430  12.044   6.632
  664   2HB   ALA  86          2HB       ALA  86  11.960  12.887   6.395
  665   3HB   ALA  86          3HB       ALA  86  10.437  13.734   6.128
  666    H    GLU  87           H        GLU  87  11.314  11.097   9.091
  667    HA   GLU  87           HA       GLU  87   8.556  10.609   9.862
  668   1HB   GLU  87          2HB       GLU  87   9.789   8.824   8.736
  669   2HB   GLU  87          1HB       GLU  87  11.004   8.838  10.006
  670   1HG   GLU  87          2HG       GLU  87   9.319   8.119  11.625
  671   2HG   GLU  87          1HG       GLU  87   8.106   8.098  10.346
  672    H    ARG  88           H        ARG  88  11.684  11.160  11.337
  673    HA   ARG  88           HA       ARG  88  12.381  11.231  13.519
  674   1HB   ARG  88          2HB       ARG  88  11.221  12.972  14.802
  675   2HB   ARG  88          1HB       ARG  88  11.492  13.459  13.136
  676   1HG   ARG  88          2HG       ARG  88   9.137  12.838  12.636
  677   2HG   ARG  88          1HG       ARG  88   8.904  12.533  14.358
  678   1HD   ARG  88          2HD       ARG  88   9.495  14.848  14.856
  679   2HD   ARG  88          1HD       ARG  88   9.758  15.157  13.140
  680    HE   ARG  88           HE       ARG  88   7.153  14.174  13.510
  681   1HH1  ARG  88          1HH1      ARG  88   9.069  17.009  14.173
  682   2HH1  ARG  88          2HH1      ARG  88   7.719  18.093  14.125
  683   1HH2  ARG  88          1HH2      ARG  88   5.369  15.595  13.438
  684   2HH2  ARG  88          2HH2      ARG  88   5.616  17.289  13.706
  685    H    TRP  89           H        TRP  89  10.584  11.725  15.826
  686    HA   TRP  89           HA       TRP  89   9.881   8.923  16.297
  687   1HB   TRP  89          2HB       TRP  89  11.395  10.043  17.905
  688   2HB   TRP  89          1HB       TRP  89  10.130  11.212  18.263
  689    HD1  TRP  89           HD       TRP  89   9.900   7.336  18.086
  690    HE1  TRP  89           1HE      TRP  89   8.916   6.503  20.314
  691    HE3  TRP  89           3HE      TRP  89   9.535  11.809  20.534
  692    HZ2  TRP  89           2HZ      TRP  89   8.094   7.600  22.783
  693    HZ3  TRP  89           3HZ      TRP  89   8.640  11.830  22.826
  694    HH2  TRP  89           HH       TRP  89   7.934   9.767  23.925
  695    H    GLY  90           H        GLY  90   7.878   8.748  15.298
  696   1HA   GLY  90          2HA       GLY  90   5.606   9.292  16.778
  697   2HA   GLY  90          1HA       GLY  90   5.782  10.640  15.665
  698    HA   PRO  91           HA       PRO  91   3.344   7.834  13.115
  699   1HB   PRO  91          2HB       PRO  91   2.666   9.635  11.225
  700   2HB   PRO  91          1HB       PRO  91   1.900   9.613  12.817
  701   1HG   PRO  91          2HG       PRO  91   4.096  11.372  11.800
  702   2HG   PRO  91          1HG       PRO  91   2.675  11.803  12.768
  703   1HD   PRO  91          2HD       PRO  91   5.151  11.443  13.839
  704   2HD   PRO  91          1HD       PRO  91   3.651  11.121  14.733
  705    H    ARG  92           H        ARG  92   3.587   6.848  11.074
  706    HA   ARG  92           HA       ARG  92   6.252   6.761  10.082
  707   1HB   ARG  92          2HB       ARG  92   3.723   5.626   8.868
  708   2HB   ARG  92          1HB       ARG  92   5.365   5.191   8.414
  709   1HG   ARG  92          2HG       ARG  92   4.117   4.733  11.117
  710   2HG   ARG  92          1HG       ARG  92   4.335   3.513   9.862
  711   1HD   ARG  92          2HD       ARG  92   6.748   3.781   9.991
  712   2HD   ARG  92          1HD       ARG  92   6.560   5.062  11.188
  713    HE   ARG  92           HE       ARG  92   5.278   2.781  12.160
  714   1HH1  ARG  92          1HH1      ARG  92   8.501   3.855  11.380
  715   2HH1  ARG  92          2HH1      ARG  92   9.261   2.843  12.564
  716   1HH2  ARG  92          1HH2      ARG  92   6.273   1.449  13.721
  717   2HH2  ARG  92          2HH2      ARG  92   7.996   1.477  13.893
  718    H    THR  93           H        THR  93   6.095   6.639   7.343
  719    HA   THR  93           HA       THR  93   4.924   9.163   6.451
  720    HB   THR  93           HB       THR  93   7.032   9.882   5.418
  721    HG1  THR  93           1HG      THR  93   8.833   8.477   6.662
  722   1HG2  THR  93          1HG2      THR  93   6.505   9.997   8.144
  723   2HG2  THR  93          2HG2      THR  93   7.632  10.997   7.228
  724   3HG2  THR  93          3HG2      THR  93   8.200   9.525   8.018
  725    H    LEU  94           H        LEU  94   6.060   5.966   5.860
  726    HA   LEU  94           HA       LEU  94   4.661   5.901   3.352
  727   1HB   LEU  94          2HB       LEU  94   6.949   6.961   2.939
  728   2HB   LEU  94          1HB       LEU  94   7.616   5.376   3.268
  729    HG   LEU  94           HG       LEU  94   6.402   4.451   1.360
  730   1HD1  LEU  94          1HD1      LEU  94   5.329   6.090  -0.223
  731   2HD1  LEU  94          2HD1      LEU  94   5.367   7.262   1.094
  732   3HD1  LEU  94          3HD1      LEU  94   4.437   5.774   1.266
  733   1HD2  LEU  94          1HD2      LEU  94   7.559   6.616  -0.097
  734   2HD2  LEU  94          2HD2      LEU  94   8.183   4.985   0.155
  735   3HD2  LEU  94          3HD2      LEU  94   8.554   6.261   1.316
  736    H    ASP  95           H        ASP  95   3.854   3.927   3.047
  737    HA   ASP  95           HA       ASP  95   5.260   1.603   4.158
  738   1HB   ASP  95          2HB       ASP  95   3.522   2.330   5.786
  739   2HB   ASP  95          1HB       ASP  95   2.300   2.119   4.535
  740    H    LEU  96           H        LEU  96   5.525   0.132   2.611
  741    HA   LEU  96           HA       LEU  96   3.526  -0.004   0.444
  742   1HB   LEU  96          2HB       LEU  96   6.498  -0.516   0.284
  743   2HB   LEU  96          1HB       LEU  96   5.365  -0.789  -1.023
  744    HG   LEU  96           HG       LEU  96   6.500   1.259  -1.449
  745   1HD1  LEU  96          1HD1      LEU  96   3.781   1.972  -0.368
  746   2HD1  LEU  96          2HD1      LEU  96   4.064   1.171  -1.913
  747   3HD1  LEU  96          3HD1      LEU  96   4.678   2.801  -1.640
  748   1HD2  LEU  96          1HD2      LEU  96   5.591   2.847   0.787
  749   2HD2  LEU  96          2HD2      LEU  96   7.212   2.660   0.121
  750   3HD2  LEU  96          3HD2      LEU  96   6.613   1.509   1.315
  751    H    ASP  97           H        ASP  97   2.443  -1.862   0.344
  752    HA   ASP  97           HA       ASP  97   3.809  -4.379   0.800
  753   1HB   ASP  97          2HB       ASP  97   1.453  -3.541   2.508
  754   2HB   ASP  97          1HB       ASP  97   2.083  -5.183   2.416
  755    H    ILE  98           H        ILE  98   3.110  -5.877  -0.593
  756    HA   ILE  98           HA       ILE  98   0.796  -5.246  -2.233
  757    HB   ILE  98           HB       ILE  98   3.029  -7.200  -2.463
  758   1HG1  ILE  98          2HG1      ILE  98   1.648  -5.318  -4.364
  759   2HG1  ILE  98          1HG1      ILE  98   3.211  -5.083  -3.592
  760   1HG2  ILE  98          1HG2      ILE  98   1.593  -8.862  -2.955
  761   2HG2  ILE  98          2HG2      ILE  98   1.508  -8.043  -4.514
  762   3HG2  ILE  98          3HG2      ILE  98   0.266  -7.752  -3.298
  763   1HD1  ILE  98          1HD1      ILE  98   2.489  -7.056  -5.731
  764   2HD1  ILE  98          2HD1      ILE  98   4.000  -7.118  -4.825
  765   3HD1  ILE  98          3HD1      ILE  98   3.628  -5.712  -5.821
  766    H    MET  99           H        MET  99  -1.079  -6.401  -2.311
  767    HA   MET  99           HA       MET  99  -1.448  -8.376  -0.163
  768   1HB   MET  99          2HB       MET  99  -3.567  -6.667  -1.482
  769   2HB   MET  99          1HB       MET  99  -3.787  -7.732  -0.103
  770   1HG   MET  99          2HG       MET  99  -3.714  -5.533   0.737
  771   2HG   MET  99          1HG       MET  99  -2.175  -6.281   1.152
  772   1HE   MET  99          1HE       MET  99  -3.522  -3.125  -1.478
  773   2HE   MET  99          2HE       MET  99  -3.900  -4.825  -1.761
  774   3HE   MET  99          3HE       MET  99  -2.620  -4.041  -2.685
  775    H    LEU 100           H        LEU 100  -1.300  -7.827  -3.462
  776    HA   LEU 100           HA       LEU 100  -2.236 -10.527  -4.024
  777   1HB   LEU 100          2HB       LEU 100  -3.936  -8.448  -4.382
  778   2HB   LEU 100          1HB       LEU 100  -3.138  -8.475  -5.944
  779    HG   LEU 100           HG       LEU 100  -4.210 -11.007  -4.826
  780   1HD1  LEU 100          1HD1      LEU 100  -5.968  -9.195  -4.642
  781   2HD1  LEU 100          2HD1      LEU 100  -6.401 -10.602  -5.613
  782   3HD1  LEU 100          3HD1      LEU 100  -5.916  -9.100  -6.401
  783   1HD2  LEU 100          1HD2      LEU 100  -3.793  -9.864  -7.578
  784   2HD2  LEU 100          2HD2      LEU 100  -4.634 -11.384  -7.275
  785   3HD2  LEU 100          3HD2      LEU 100  -2.939 -11.212  -6.826
  786    H    PHE 101           H        PHE 101  -0.875 -11.530  -5.447
  787    HA   PHE 101           HA       PHE 101   0.946  -9.798  -6.994
  788   1HB   PHE 101          2HB       PHE 101   2.075 -10.978  -5.137
  789   2HB   PHE 101          1HB       PHE 101   1.572 -12.516  -5.829
  790    HD1  PHE 101           1HD      PHE 101   3.235 -13.647  -6.912
  791    HD2  PHE 101           2HD      PHE 101   3.207  -9.396  -7.081
  792    HE1  PHE 101           1HE      PHE 101   5.274 -13.694  -8.285
  793    HE2  PHE 101           2HE      PHE 101   5.244  -9.436  -8.459
  794    HZ   PHE 101           HZ       PHE 101   6.281 -11.586  -9.063
  795    H    GLY 102           H        GLY 102  -0.028  -9.836  -8.951
  796   1HA   GLY 102          2HA       GLY 102  -0.732 -10.592 -10.994
  797   2HA   GLY 102          1HA       GLY 102   0.485 -11.837 -10.768
  798    H    ASN 103           H        ASN 103  -2.090 -11.693  -8.494
  799    HA   ASN 103           HA       ASN 103  -3.795 -13.121  -7.991
  800   1HB   ASN 103          2HB       ASN 103  -4.644 -12.229 -10.220
  801   2HB   ASN 103          1HB       ASN 103  -3.967 -13.674 -10.963
  802   1HD2  ASN 103          1HD2      ASN 103  -4.991 -14.437  -7.894
  803   2HD2  ASN 103          2HD2      ASN 103  -6.561 -15.041  -8.275
  804    H    GLU 104           H        GLU 104  -1.091 -13.882  -8.125
  805    HA   GLU 104           HA       GLU 104  -1.107 -16.703  -8.884
  806   1HB   GLU 104          2HB       GLU 104   0.747 -14.526  -9.003
  807   2HB   GLU 104          1HB       GLU 104   1.438 -15.789  -8.010
  808   1HG   GLU 104          2HG       GLU 104   0.274 -16.340 -10.710
  809   2HG   GLU 104          1HG       GLU 104   1.935 -15.802 -10.496
  810    H    VAL 105           H        VAL 105  -1.141 -18.247  -7.318
  811    HA   VAL 105           HA       VAL 105  -1.396 -17.465  -4.576
  812    HB   VAL 105           HB       VAL 105  -1.026 -20.265  -5.647
  813   1HG1  VAL 105          1HG1      VAL 105  -2.705 -20.122  -3.364
  814   2HG1  VAL 105          2HG1      VAL 105  -1.225 -19.228  -3.020
  815   3HG1  VAL 105          3HG1      VAL 105  -1.139 -20.913  -3.533
  816   1HG2  VAL 105          1HG2      VAL 105  -2.914 -19.286  -6.777
  817   2HG2  VAL 105          2HG2      VAL 105  -3.552 -18.658  -5.257
  818   3HG2  VAL 105          3HG2      VAL 105  -3.513 -20.399  -5.546
  819    H    ILE 106           H        ILE 106   0.471 -16.481  -4.017
  820    HA   ILE 106           HA       ILE 106   2.713 -18.237  -3.416
  821    HB   ILE 106           HB       ILE 106   3.277 -17.434  -5.601
  822   1HG1  ILE 106          2HG1      ILE 106   4.770 -15.772  -3.561
  823   2HG1  ILE 106          1HG1      ILE 106   5.138 -17.442  -4.001
  824   1HG2  ILE 106          1HG2      ILE 106   2.878 -15.374  -6.427
  825   2HG2  ILE 106          2HG2      ILE 106   3.223 -14.568  -4.898
  826   3HG2  ILE 106          3HG2      ILE 106   1.667 -15.359  -5.145
  827   1HD1  ILE 106          1HD1      ILE 106   6.131 -15.115  -5.177
  828   2HD1  ILE 106          2HD1      ILE 106   4.996 -15.798  -6.346
  829   3HD1  ILE 106          3HD1      ILE 106   6.337 -16.776  -5.738
  830    H    ASN 107           H        ASN 107   2.508 -17.960  -1.251
  831    HA   ASN 107           HA       ASN 107   2.618 -15.195  -0.239
  832   1HB   ASN 107          2HB       ASN 107   1.427 -17.604   1.147
  833   2HB   ASN 107          1HB       ASN 107   1.463 -15.953   1.769
  834   1HD2  ASN 107          1HD2      ASN 107   1.083 -15.190  -1.183
  835   2HD2  ASN 107          2HD2      ASN 107  -0.626 -15.252  -1.354
  836    H    THR 108           H        THR 108   4.025 -14.615   1.247
  837    HA   THR 108           HA       THR 108   5.748 -16.590   2.526
  838    HB   THR 108           HB       THR 108   7.760 -15.206   2.009
  839    HG1  THR 108           1HG      THR 108   7.572 -13.418   0.940
  840   1HG2  THR 108          1HG2      THR 108   7.949 -16.878   0.538
  841   2HG2  THR 108          2HG2      THR 108   7.515 -15.642  -0.642
  842   3HG2  THR 108          3HG2      THR 108   6.279 -16.730  -0.009
  843    H    GLU 109           H        GLU 109   5.638 -13.056   2.166
  844    HA   GLU 109           HA       GLU 109   4.605 -12.650   4.802
  845   1HB   GLU 109          2HB       GLU 109   7.476 -11.912   4.202
  846   2HB   GLU 109          1HB       GLU 109   6.562 -11.218   5.530
  847   1HG   GLU 109          2HG       GLU 109   6.299 -13.443   6.507
  848   2HG   GLU 109          1HG       GLU 109   7.225 -14.132   5.176
  849    H    ARG 110           H        ARG 110   6.717 -10.777   2.652
  850    HA   ARG 110           HA       ARG 110   4.708  -8.660   2.610
  851   1HB   ARG 110          2HB       ARG 110   6.463  -7.299   1.535
  852   2HB   ARG 110          1HB       ARG 110   7.003  -7.968   3.068
  853   1HG   ARG 110          2HG       ARG 110   8.054  -9.837   1.635
  854   2HG   ARG 110          1HG       ARG 110   7.840  -8.708   0.291
  855   1HD   ARG 110          2HD       ARG 110  10.059  -8.477   1.233
  856   2HD   ARG 110          1HD       ARG 110   9.114  -7.015   1.514
  857    HE   ARG 110           HE       ARG 110   9.449  -7.343   3.736
  858   1HH1  ARG 110          1HH1      ARG 110   9.650 -10.446   2.156
  859   2HH1  ARG 110          2HH1      ARG 110  10.006 -11.307   3.616
  860   1HH2  ARG 110          1HH2      ARG 110   9.921  -8.471   5.656
  861   2HH2  ARG 110          2HH2      ARG 110  10.162 -10.186   5.603
  862    H    LEU 111           H        LEU 111   5.049 -11.408   1.144
  863    HA   LEU 111           HA       LEU 111   4.018 -10.438  -1.423
  864   1HB   LEU 111          2HB       LEU 111   6.227 -11.075  -1.962
  865   2HB   LEU 111          1HB       LEU 111   6.146 -12.508  -0.954
  866    HG   LEU 111           HG       LEU 111   4.608 -13.562  -2.520
  867   1HD1  LEU 111          1HD1      LEU 111   3.419 -12.408  -3.987
  868   2HD1  LEU 111          2HD1      LEU 111   4.889 -11.796  -4.746
  869   3HD1  LEU 111          3HD1      LEU 111   4.171 -10.930  -3.387
  870   1HD2  LEU 111          1HD2      LEU 111   6.889 -14.016  -2.935
  871   2HD2  LEU 111          2HD2      LEU 111   7.132 -12.449  -3.705
  872   3HD2  LEU 111          3HD2      LEU 111   6.148 -13.677  -4.499
  873    H    THR 112           H        THR 112   1.945 -10.871  -0.493
  874    HA   THR 112           HA       THR 112   1.230 -13.722  -0.569
  875    HB   THR 112           HB       THR 112   1.243 -13.105   1.745
  876    HG1  THR 112           1HG      THR 112  -0.796 -13.659   2.231
  877   1HG2  THR 112          1HG2      THR 112   0.436 -11.202   2.680
  878   2HG2  THR 112          2HG2      THR 112  -0.773 -10.959   1.419
  879   3HG2  THR 112          3HG2      THR 112   0.920 -10.577   1.104
  880    H    VAL 113           H        VAL 113  -0.302 -14.141  -2.072
  881    HA   VAL 113           HA       VAL 113  -1.639 -11.948  -3.364
  882    HB   VAL 113           HB       VAL 113  -0.722 -14.042  -4.522
  883   1HG1  VAL 113          1HG1      VAL 113  -2.485 -15.781  -4.923
  884   2HG1  VAL 113          2HG1      VAL 113  -3.336 -15.124  -3.525
  885   3HG1  VAL 113          3HG1      VAL 113  -1.722 -15.808  -3.333
  886   1HG2  VAL 113          1HG2      VAL 113  -3.482 -13.505  -5.459
  887   2HG2  VAL 113          2HG2      VAL 113  -1.965 -13.537  -6.355
  888   3HG2  VAL 113          3HG2      VAL 113  -2.363 -12.149  -5.343
  889    HA   PRO 114           HA       PRO 114  -5.616 -14.066  -1.472
  890   1HB   PRO 114          2HB       PRO 114  -4.482 -15.122   1.046
  891   2HB   PRO 114          1HB       PRO 114  -5.683 -15.854  -0.028
  892   1HG   PRO 114          2HG       PRO 114  -3.237 -16.843   0.053
  893   2HG   PRO 114          1HG       PRO 114  -4.053 -16.626  -1.515
  894   1HD   PRO 114          2HD       PRO 114  -2.035 -14.828  -0.187
  895   2HD   PRO 114          1HD       PRO 114  -2.042 -15.466  -1.844
  896    H    HIS 115           H        HIS 115  -3.081 -12.294  -0.344
  897    HA   HIS 115           HA       HIS 115  -2.955 -10.306   0.737
  898   1HB   HIS 115          2HB       HIS 115  -5.869 -10.444   1.478
  899   2HB   HIS 115          1HB       HIS 115  -4.862  -9.026   1.243
  900    HD1  HIS 115           1HD      HIS 115  -6.310 -11.829  -0.907
  901    HD2  HIS 115           2HD      HIS 115  -5.320  -7.805  -1.119
  902    HE1  HIS 115           1HE      HIS 115  -7.066 -11.075  -3.175
  903    HE2  HIS 115           2HE      HIS 115  -6.348  -8.668  -3.325
  904    H    TYR 116           H        TYR 116  -1.773 -10.604   2.515
  905    HA   TYR 116           HA       TYR 116  -2.930 -12.086   4.766
  906   1HB   TYR 116          2HB       TYR 116  -0.717 -12.820   4.007
  907   2HB   TYR 116          1HB       TYR 116  -0.075 -11.204   4.275
  908    HD1  TYR 116           1HD      TYR 116   1.415 -11.264   6.034
  909    HD2  TYR 116           2HD      TYR 116  -2.222 -13.447   6.370
  910    HE1  TYR 116           1HE      TYR 116   2.005 -11.878   8.341
  911    HE2  TYR 116           2HE      TYR 116  -1.643 -14.065   8.680
  912    HH   TYR 116           HH       TYR 116   0.748 -12.560  10.443
  913    H    ASP 117           H        ASP 117  -3.793 -11.016   6.390
  914    HA   ASP 117           HA       ASP 117  -4.120  -9.498   8.053
  915   1HB   ASP 117          2HB       ASP 117  -1.631  -8.164   6.971
  916   2HB   ASP 117          1HB       ASP 117  -2.490  -7.654   8.420
  917    H    MET 118           H        MET 118  -4.607  -9.124   4.928
  918    HA   MET 118           HA       MET 118  -5.087  -6.387   4.515
  919   1HB   MET 118          2HB       MET 118  -6.458  -7.062   2.642
  920   2HB   MET 118          1HB       MET 118  -5.073  -8.149   2.708
  921   1HG   MET 118          2HG       MET 118  -7.924  -8.676   3.523
  922   2HG   MET 118          1HG       MET 118  -7.003  -9.448   2.240
  923   1HE   MET 118          1HE       MET 118  -8.140 -11.944   4.902
  924   2HE   MET 118          2HE       MET 118  -7.189 -12.431   3.499
  925   3HE   MET 118          3HE       MET 118  -8.428 -11.187   3.337
  926    H    LYS 119           H        LYS 119  -6.910  -8.872   6.107
  927    HA   LYS 119           HA       LYS 119  -9.408  -7.529   6.252
  928   1HB   LYS 119          2HB       LYS 119  -9.862  -9.169   8.085
  929   2HB   LYS 119          1HB       LYS 119  -9.314  -9.909   6.587
  930   1HG   LYS 119          2HG       LYS 119  -7.089 -10.186   7.496
  931   2HG   LYS 119          1HG       LYS 119  -7.561  -9.343   8.971
  932   1HD   LYS 119          2HD       LYS 119  -8.824 -11.903   7.997
  933   2HD   LYS 119          1HD       LYS 119  -7.522 -11.826   9.188
  934   1HE   LYS 119          2HE       LYS 119 -10.252 -10.569   9.460
  935   2HE   LYS 119          1HE       LYS 119  -9.710 -12.044  10.261
  936   1HZ   LYS 119          1HZ       LYS 119  -9.122  -9.273  10.885
  937   2HZ   LYS 119          2HZ       LYS 119  -7.809 -10.334  11.007
  938   3HZ   LYS 119          3HZ       LYS 119  -9.212 -10.620  11.905
  939    H    ASN 120           H        ASN 120  -6.595  -6.511   7.381
  940    HA   ASN 120           HA       ASN 120  -7.725  -5.404   9.857
  941   1HB   ASN 120          2HB       ASN 120  -4.894  -6.138   9.128
  942   2HB   ASN 120          1HB       ASN 120  -5.289  -5.144  10.520
  943   1HD2  ASN 120          1HD2      ASN 120  -4.557  -8.167   9.605
  944   2HD2  ASN 120          2HD2      ASN 120  -5.335  -9.069  10.859
  945    H    ARG 121           H        ARG 121  -7.410  -4.454   6.814
  946    HA   ARG 121           HA       ARG 121  -7.226  -1.711   7.517
  947   1HB   ARG 121          2HB       ARG 121  -5.149  -1.244   6.153
  948   2HB   ARG 121          1HB       ARG 121  -4.913  -2.004   7.722
  949   1HG   ARG 121          2HG       ARG 121  -4.699  -4.184   6.612
  950   2HG   ARG 121          1HG       ARG 121  -4.873  -3.384   5.049
  951   1HD   ARG 121          2HD       ARG 121  -2.534  -3.780   5.540
  952   2HD   ARG 121          1HD       ARG 121  -2.875  -2.053   5.515
  953    HE   ARG 121           HE       ARG 121  -2.127  -1.970   7.656
  954   1HH1  ARG 121          1HH1      ARG 121  -3.298  -5.199   7.059
  955   2HH1  ARG 121          2HH1      ARG 121  -2.898  -5.773   8.644
  956   1HH2  ARG 121          1HH2      ARG 121  -1.600  -2.718   9.741
  957   2HH2  ARG 121          2HH2      ARG 121  -1.932  -4.363  10.167
  958    H    GLY 122           H        GLY 122  -9.085  -1.442   6.343
  959   1HA   GLY 122          2HA       GLY 122  -9.357  -2.168   3.558
  960   2HA   GLY 122          1HA       GLY 122 -10.382  -1.061   4.479
  961    H    PHE 123           H        PHE 123  -7.214  -0.181   4.941
  962    HA   PHE 123           HA       PHE 123  -7.555   2.053   3.129
  963   1HB   PHE 123          2HB       PHE 123  -5.687   3.115   4.260
  964   2HB   PHE 123          1HB       PHE 123  -6.888   2.574   5.415
  965    HD1  PHE 123           1HD      PHE 123  -3.882   1.099   3.775
  966    HD2  PHE 123           2HD      PHE 123  -5.988   1.829   7.401
  967    HE1  PHE 123           1HE      PHE 123  -2.138  -0.104   5.025
  968    HE2  PHE 123           2HE      PHE 123  -4.244   0.636   8.657
  969    HZ   PHE 123           HZ       PHE 123  -2.266  -0.153   7.561
  970    H    MET 124           H        MET 124  -6.787  -0.794   2.457
  971    HA   MET 124           HA       MET 124  -4.940  -0.039   0.371
  972   1HB   MET 124          2HB       MET 124  -3.525  -2.074   0.722
  973   2HB   MET 124          1HB       MET 124  -3.324  -0.828   1.943
  974   1HG   MET 124          2HG       MET 124  -4.472  -2.071   3.556
  975   2HG   MET 124          1HG       MET 124  -5.141  -3.168   2.350
  976   1HE   MET 124          1HE       MET 124  -0.718  -3.059   3.611
  977   2HE   MET 124          2HE       MET 124  -1.884  -1.744   3.765
  978   3HE   MET 124          3HE       MET 124  -1.222  -2.156   2.184
  979    H    LEU 125           H        LEU 125  -7.317  -2.078   1.802
  980    HA   LEU 125           HA       LEU 125  -7.578  -3.862  -0.451
  981   1HB   LEU 125          2HB       LEU 125  -9.218  -3.389   2.024
  982   2HB   LEU 125          1HB       LEU 125  -9.706  -4.515   0.778
  983    HG   LEU 125           HG       LEU 125  -8.650  -5.627   2.688
  984   1HD1  LEU 125          1HD1      LEU 125  -8.395  -6.973   0.872
  985   2HD1  LEU 125          2HD1      LEU 125  -6.698  -6.671   1.243
  986   3HD1  LEU 125          3HD1      LEU 125  -7.495  -5.762  -0.040
  987   1HD2  LEU 125          1HD2      LEU 125  -6.808  -4.904   3.659
  988   2HD2  LEU 125          2HD2      LEU 125  -6.839  -3.515   2.576
  989   3HD2  LEU 125          3HD2      LEU 125  -5.924  -4.956   2.134
  990    H    TRP 126           H        TRP 126  -9.374  -1.136   0.903
  991    HA   TRP 126           HA       TRP 126 -11.423  -1.112  -1.046
  992   1HB   TRP 126          2HB       TRP 126 -12.054  -0.023   0.874
  993   2HB   TRP 126          1HB       TRP 126 -10.480   0.720   1.104
  994    HD1  TRP 126           HD       TRP 126 -10.791   3.190   1.103
  995    HE1  TRP 126           1HE      TRP 126 -12.070   4.923  -0.319
  996    HE3  TRP 126           3HE      TRP 126 -13.242  -0.003  -2.039
  997    HZ2  TRP 126           2HZ      TRP 126 -13.886   4.922  -2.483
  998    HZ3  TRP 126           3HZ      TRP 126 -14.736   0.938  -3.753
  999    HH2  TRP 126           HH       TRP 126 -15.051   3.349  -3.968
 1000    HA   PRO 127           HA       PRO 127  -8.777   2.545  -3.036
 1001   1HB   PRO 127          2HB       PRO 127  -6.074   1.937  -2.790
 1002   2HB   PRO 127          1HB       PRO 127  -6.920   3.202  -1.892
 1003   1HG   PRO 127          2HG       PRO 127  -6.211   0.429  -1.066
 1004   2HG   PRO 127          1HG       PRO 127  -6.195   1.921  -0.113
 1005   1HD   PRO 127          2HD       PRO 127  -8.157   0.129   0.170
 1006   2HD   PRO 127          1HD       PRO 127  -8.498   1.872   0.223
 1007    H    LEU 128           H        LEU 128  -7.150  -0.607  -2.704
 1008    HA   LEU 128           HA       LEU 128  -6.429  -0.888  -5.413
 1009   1HB   LEU 128          2HB       LEU 128  -5.462  -2.211  -3.557
 1010   2HB   LEU 128          1HB       LEU 128  -6.993  -3.041  -3.364
 1011    HG   LEU 128           HG       LEU 128  -6.769  -4.040  -5.589
 1012   1HD1  LEU 128          1HD1      LEU 128  -5.117  -1.936  -6.141
 1013   2HD1  LEU 128          2HD1      LEU 128  -5.269  -3.393  -7.124
 1014   3HD1  LEU 128          3HD1      LEU 128  -3.967  -3.259  -5.941
 1015   1HD2  LEU 128          1HD2      LEU 128  -4.109  -4.602  -4.430
 1016   2HD2  LEU 128          2HD2      LEU 128  -5.415  -5.702  -4.869
 1017   3HD2  LEU 128          3HD2      LEU 128  -5.491  -4.806  -3.353
 1018    H    PHE 129           H        PHE 129  -9.411  -1.228  -3.760
 1019    HA   PHE 129           HA       PHE 129 -10.668  -3.022  -5.583
 1020   1HB   PHE 129          2HB       PHE 129 -11.424  -2.520  -3.204
 1021   2HB   PHE 129          1HB       PHE 129 -12.071  -1.005  -3.825
 1022    HD1  PHE 129           1HD      PHE 129 -13.895  -1.049  -5.508
 1023    HD2  PHE 129           2HD      PHE 129 -12.563  -4.569  -3.496
 1024    HE1  PHE 129           1HE      PHE 129 -15.966  -2.201  -6.165
 1025    HE2  PHE 129           2HE      PHE 129 -14.626  -5.723  -4.179
 1026    HZ   PHE 129           HZ       PHE 129 -16.331  -4.544  -5.504
 1027    H    GLU 130           H        GLU 130 -10.277   0.448  -5.346
 1028    HA   GLU 130           HA       GLU 130 -12.158   1.173  -7.336
 1029   1HB   GLU 130          2HB       GLU 130 -11.340   2.793  -5.711
 1030   2HB   GLU 130          1HB       GLU 130  -9.704   2.625  -6.331
 1031   1HG   GLU 130          2HG       GLU 130 -10.738   4.670  -7.125
 1032   2HG   GLU 130          1HG       GLU 130 -10.401   3.571  -8.462
 1033    H    ILE 131           H        ILE 131  -8.680   0.504  -7.427
 1034    HA   ILE 131           HA       ILE 131  -8.574   0.974 -10.288
 1035    HB   ILE 131           HB       ILE 131  -6.197   0.429 -10.115
 1036   1HG1  ILE 131          2HG1      ILE 131  -6.763  -0.021  -7.174
 1037   2HG1  ILE 131          1HG1      ILE 131  -6.383  -1.285  -8.340
 1038   1HG2  ILE 131          1HG2      ILE 131  -7.001   2.712  -9.668
 1039   2HG2  ILE 131          2HG2      ILE 131  -5.527   2.331  -8.776
 1040   3HG2  ILE 131          3HG2      ILE 131  -7.085   2.328  -7.948
 1041   1HD1  ILE 131          1HD1      ILE 131  -4.560  -0.170  -6.751
 1042   2HD1  ILE 131          2HD1      ILE 131  -4.452   0.936  -8.121
 1043   3HD1  ILE 131          3HD1      ILE 131  -4.181  -0.791  -8.358
 1044    H    ALA 132           H        ALA 132  -9.295  -1.622  -8.239
 1045    HA   ALA 132           HA       ALA 132  -9.359  -3.436 -10.490
 1046   1HB   ALA 132          1HB       ALA 132  -7.076  -3.429  -8.927
 1047   2HB   ALA 132          2HB       ALA 132  -7.596  -4.710 -10.023
 1048   3HB   ALA 132          3HB       ALA 132  -8.016  -4.789  -8.311
 1049    HA   PRO 133           HA       PRO 133 -12.623  -4.311  -7.329
 1050   1HB   PRO 133          2HB       PRO 133 -14.767  -3.418  -8.628
 1051   2HB   PRO 133          1HB       PRO 133 -13.657  -2.287  -7.842
 1052   1HG   PRO 133          2HG       PRO 133 -13.958  -2.943 -10.732
 1053   2HG   PRO 133          1HG       PRO 133 -13.569  -1.395  -9.965
 1054   1HD   PRO 133          2HD       PRO 133 -11.739  -3.207 -11.108
 1055   2HD   PRO 133          1HD       PRO 133 -11.344  -1.814 -10.083
 1056    H    GLU 134           H        GLU 134 -11.416  -6.093  -9.374
 1057    HA   GLU 134           HA       GLU 134 -13.762  -7.784  -9.820
 1058   1HB   GLU 134          2HB       GLU 134 -11.762  -7.067 -11.966
 1059   2HB   GLU 134          1HB       GLU 134 -12.966  -8.339 -12.113
 1060   1HG   GLU 134          2HG       GLU 134 -14.745  -6.679 -11.863
 1061   2HG   GLU 134          1HG       GLU 134 -13.532  -5.407 -11.736
 1062    H    LEU 135           H        LEU 135 -10.776  -7.532  -8.519
 1063    HA   LEU 135           HA       LEU 135  -9.406  -9.830  -9.297
 1064   1HB   LEU 135          2HB       LEU 135  -9.393  -8.038  -6.962
 1065   2HB   LEU 135          1HB       LEU 135  -8.742  -9.642  -6.673
 1066    HG   LEU 135           HG       LEU 135  -7.000  -8.025  -7.278
 1067   1HD1  LEU 135          1HD1      LEU 135  -5.885  -9.725  -8.158
 1068   2HD1  LEU 135          2HD1      LEU 135  -6.794  -9.600  -9.665
 1069   3HD1  LEU 135          3HD1      LEU 135  -7.419 -10.580  -8.338
 1070   1HD2  LEU 135          1HD2      LEU 135  -7.225  -7.687  -9.994
 1071   2HD2  LEU 135          2HD2      LEU 135  -7.572  -6.465  -8.772
 1072   3HD2  LEU 135          3HD2      LEU 135  -8.878  -7.448  -9.430
 1073    H    VAL 136           H        VAL 136 -10.593  -9.828  -6.003
 1074    HA   VAL 136           HA       VAL 136 -11.284 -11.631  -4.751
 1075    HB   VAL 136           HB       VAL 136 -13.332 -10.491  -5.301
 1076   1HG1  VAL 136          1HG1      VAL 136 -13.065 -10.629  -7.781
 1077   2HG1  VAL 136          2HG1      VAL 136 -14.694 -10.960  -7.195
 1078   3HG1  VAL 136          3HG1      VAL 136 -13.650 -12.290  -7.692
 1079   1HG2  VAL 136          1HG2      VAL 136 -13.175 -13.043  -4.392
 1080   2HG2  VAL 136          2HG2      VAL 136 -14.304 -13.225  -5.734
 1081   3HG2  VAL 136          3HG2      VAL 136 -14.655 -12.085  -4.434
 1082    H    PHE 137           H        PHE 137  -9.565 -13.114  -5.317
 1083    HA   PHE 137           HA       PHE 137 -10.627 -15.557  -6.368
 1084   1HB   PHE 137          2HB       PHE 137 -10.019 -14.269  -8.427
 1085   2HB   PHE 137          1HB       PHE 137  -8.342 -14.362  -7.914
 1086    HD1  PHE 137           1HD      PHE 137  -7.292 -15.747  -9.447
 1087    HD2  PHE 137           2HD      PHE 137 -11.020 -16.941  -7.777
 1088    HE1  PHE 137           1HE      PHE 137  -7.072 -17.941 -10.536
 1089    HE2  PHE 137           2HE      PHE 137 -10.807 -19.138  -8.864
 1090    HZ   PHE 137           HZ       PHE 137  -8.841 -19.641 -10.245
 1091    HA   PRO 138           HA       PRO 138  -5.806 -16.067  -5.078
 1092   1HB   PRO 138          2HB       PRO 138  -6.054 -13.796  -3.139
 1093   2HB   PRO 138          1HB       PRO 138  -4.615 -14.419  -3.957
 1094   1HG   PRO 138          2HG       PRO 138  -5.794 -12.203  -4.821
 1095   2HG   PRO 138          1HG       PRO 138  -5.149 -13.393  -5.968
 1096   1HD   PRO 138          2HD       PRO 138  -7.967 -12.796  -5.245
 1097   2HD   PRO 138          1HD       PRO 138  -7.293 -13.386  -6.776
 1098    H    ASP 139           H        ASP 139  -8.007 -14.572  -2.744
 1099    HA   ASP 139           HA       ASP 139  -7.868 -17.008  -1.097
 1100   1HB   ASP 139          2HB       ASP 139  -8.546 -15.621   0.792
 1101   2HB   ASP 139          1HB       ASP 139  -7.128 -14.921   0.020
 1102    H    GLY 140           H        GLY 140  -9.815 -15.181  -3.160
 1103   1HA   GLY 140          2HA       GLY 140 -11.881 -16.059  -3.983
 1104   2HA   GLY 140          1HA       GLY 140 -12.168 -16.776  -2.403
 1105    H    GLU 141           H        GLU 141 -10.977 -13.548  -2.522
 1106    HA   GLU 141           HA       GLU 141 -13.598 -12.317  -2.465
 1107   1HB   GLU 141          2HB       GLU 141 -11.820 -12.250  -0.019
 1108   2HB   GLU 141          1HB       GLU 141 -13.241 -11.246  -0.255
 1109   1HG   GLU 141          2HG       GLU 141 -14.586 -13.349  -0.408
 1110   2HG   GLU 141          1HG       GLU 141 -13.132 -14.222   0.064
 1111    H    MET 142           H        MET 142 -13.507 -10.290  -3.248
 1112    HA   MET 142           HA       MET 142 -11.119  -9.206  -4.237
 1113   1HB   MET 142          2HB       MET 142 -13.904  -8.321  -4.002
 1114   2HB   MET 142          1HB       MET 142 -12.734  -7.010  -3.951
 1115   1HG   MET 142          2HG       MET 142 -11.859  -7.600  -6.073
 1116   2HG   MET 142          1HG       MET 142 -12.763  -9.105  -6.086
 1117   1HE   MET 142          1HE       MET 142 -15.661  -9.086  -6.699
 1118   2HE   MET 142          2HE       MET 142 -16.440  -7.626  -6.089
 1119   3HE   MET 142          3HE       MET 142 -15.367  -8.554  -5.044
 1120    H    LEU 143           H        LEU 143  -9.969  -7.353  -3.505
 1121    HA   LEU 143           HA       LEU 143  -8.967  -7.422  -1.006
 1122   1HB   LEU 143          2HB       LEU 143  -9.330  -4.646  -1.821
 1123   2HB   LEU 143          1HB       LEU 143  -7.858  -5.540  -1.529
 1124    HG   LEU 143           HG       LEU 143  -7.826  -4.716  -3.759
 1125   1HD1  LEU 143          1HD1      LEU 143  -6.898  -6.575  -4.538
 1126   2HD1  LEU 143          2HD1      LEU 143  -8.460  -7.384  -4.643
 1127   3HD1  LEU 143          3HD1      LEU 143  -7.554  -7.411  -3.131
 1128   1HD2  LEU 143          1HD2      LEU 143  -9.644  -5.718  -5.360
 1129   2HD2  LEU 143          2HD2      LEU 143  -9.943  -4.235  -4.453
 1130   3HD2  LEU 143          3HD2      LEU 143 -10.603  -5.768  -3.881
 1131    H    ARG 144           H        ARG 144 -11.230  -4.882  -1.877
 1132    HA   ARG 144           HA       ARG 144 -11.883  -4.003   0.602
 1133   1HB   ARG 144          2HB       ARG 144 -12.464  -2.788  -1.385
 1134   2HB   ARG 144          1HB       ARG 144 -13.581  -4.053  -1.867
 1135   1HG   ARG 144          2HG       ARG 144 -14.947  -3.579   0.133
 1136   2HG   ARG 144          1HG       ARG 144 -13.861  -2.246   0.528
 1137   1HD   ARG 144          2HD       ARG 144 -14.424  -1.139  -1.557
 1138   2HD   ARG 144          1HD       ARG 144 -15.429  -2.504  -2.037
 1139    HE   ARG 144           HE       ARG 144 -16.334  -1.489   0.430
 1140   1HH1  ARG 144          1HH1      ARG 144 -16.216  -0.673  -2.955
 1141   2HH1  ARG 144          2HH1      ARG 144 -17.650   0.297  -2.905
 1142   1HH2  ARG 144          1HH2      ARG 144 -18.224  -0.211   0.506
 1143   2HH2  ARG 144          2HH2      ARG 144 -18.791   0.561  -0.937
 1144    H    GLN 145           H        GLN 145 -13.416  -6.776  -1.066
 1145    HA   GLN 145           HA       GLN 145 -15.677  -7.087   0.489
 1146   1HB   GLN 145          2HB       GLN 145 -13.935  -9.482  -0.024
 1147   2HB   GLN 145          1HB       GLN 145 -15.689  -9.377  -0.021
 1148   1HG   GLN 145          2HG       GLN 145 -13.845  -8.229  -2.078
 1149   2HG   GLN 145          1HG       GLN 145 -14.827  -9.685  -2.253
 1150   1HE2  GLN 145          1HE2      GLN 145 -14.652  -6.396  -2.678
 1151   2HE2  GLN 145          2HE2      GLN 145 -16.299  -6.095  -3.081
 1152    H    ILE 146           H        ILE 146 -12.400  -8.148   1.155
 1153    HA   ILE 146           HA       ILE 146 -12.822  -9.343   3.630
 1154    HB   ILE 146           HB       ILE 146 -10.340  -7.841   2.843
 1155   1HG1  ILE 146          2HG1      ILE 146 -10.749 -10.690   2.040
 1156   2HG1  ILE 146          1HG1      ILE 146 -11.478  -9.424   1.054
 1157   1HG2  ILE 146          1HG2      ILE 146 -10.618 -10.475   4.272
 1158   2HG2  ILE 146          2HG2      ILE 146 -10.580  -8.924   5.111
 1159   3HG2  ILE 146          3HG2      ILE 146  -9.193  -9.444   4.156
 1160   1HD1  ILE 146          1HD1      ILE 146  -8.580  -9.907   1.615
 1161   2HD1  ILE 146          2HD1      ILE 146  -9.175  -8.373   0.978
 1162   3HD1  ILE 146          3HD1      ILE 146  -9.415  -9.862   0.062
 1163    H    LEU 147           H        LEU 147 -12.116  -5.968   2.728
 1164    HA   LEU 147           HA       LEU 147 -11.923  -5.193   5.538
 1165   1HB   LEU 147          2HB       LEU 147 -10.974  -3.284   4.795
 1166   2HB   LEU 147          1HB       LEU 147 -10.700  -4.278   3.372
 1167    HG   LEU 147           HG       LEU 147 -13.114  -3.296   2.748
 1168   1HD1  LEU 147          1HD1      LEU 147 -11.949  -0.807   3.801
 1169   2HD1  LEU 147          2HD1      LEU 147 -12.683  -1.879   4.995
 1170   3HD1  LEU 147          3HD1      LEU 147 -13.636  -1.289   3.632
 1171   1HD2  LEU 147          1HD2      LEU 147 -10.637  -1.695   2.286
 1172   2HD2  LEU 147          2HD2      LEU 147 -12.041  -1.884   1.235
 1173   3HD2  LEU 147          3HD2      LEU 147 -10.949  -3.240   1.503
 1174    H    HIS 148           H        HIS 148 -14.394  -5.165   3.127
 1175    HA   HIS 148           HA       HIS 148 -15.891  -3.003   4.287
 1176   1HB   HIS 148          2HB       HIS 148 -15.925  -3.583   1.837
 1177   2HB   HIS 148          1HB       HIS 148 -16.830  -5.034   2.249
 1178    HD1  HIS 148           1HD      HIS 148 -18.464  -3.646   0.463
 1179    HD2  HIS 148           2HD      HIS 148 -18.232  -2.279   4.379
 1180    HE1  HIS 148           1HE      HIS 148 -20.503  -2.215   0.796
 1181    HE2  HIS 148           2HE      HIS 148 -20.410  -1.516   3.213
 1182    H    THR 149           H        THR 149 -15.616  -6.356   4.648
 1183    HA   THR 149           HA       THR 149 -18.102  -6.478   6.173
 1184    HB   THR 149           HB       THR 149 -17.922  -8.885   6.015
 1185    HG1  THR 149           1HG      THR 149 -15.523  -8.800   6.106
 1186   1HG2  THR 149          1HG2      THR 149 -18.260  -9.237   3.748
 1187   2HG2  THR 149          2HG2      THR 149 -17.109  -7.983   3.280
 1188   3HG2  THR 149          3HG2      THR 149 -18.674  -7.536   3.961
 1189    H    ARG 150           H        ARG 150 -14.592  -6.997   6.456
 1190    HA   ARG 150           HA       ARG 150 -15.068  -7.224   9.352
 1191   1HB   ARG 150          2HB       ARG 150 -13.562  -8.940   9.535
 1192   2HB   ARG 150          1HB       ARG 150 -14.320  -9.225   7.972
 1193   1HG   ARG 150          2HG       ARG 150 -12.268  -7.828   7.119
 1194   2HG   ARG 150          1HG       ARG 150 -11.547  -8.455   8.604
 1195   1HD   ARG 150          2HD       ARG 150 -12.893 -10.143   6.493
 1196   2HD   ARG 150          1HD       ARG 150 -11.155  -9.911   6.629
 1197    HE   ARG 150           HE       ARG 150 -11.117 -11.370   8.402
 1198   1HH1  ARG 150          1HH1      ARG 150 -14.433 -10.639   7.594
 1199   2HH1  ARG 150          2HH1      ARG 150 -15.085 -11.822   8.678
 1200   1HH2  ARG 150          1HH2      ARG 150 -11.976 -12.926   9.821
 1201   2HH2  ARG 150          2HH2      ARG 150 -13.693 -13.118   9.939
 1202    H    ALA 151           H        ALA 151 -14.059  -4.796   7.506
 1203    HA   ALA 151           HA       ALA 151 -12.019  -4.072   9.488
 1204   1HB   ALA 151          1HB       ALA 151 -11.620  -3.088   6.718
 1205   2HB   ALA 151          2HB       ALA 151 -11.215  -4.769   7.059
 1206   3HB   ALA 151          3HB       ALA 151 -10.437  -3.475   7.968
 1207    H    PHE 152           H        PHE 152 -12.828  -2.128   6.700
 1208    HA   PHE 152           HA       PHE 152 -14.164  -0.245   8.511
 1209   1HB   PHE 152          2HB       PHE 152 -12.568   0.166   5.995
 1210   2HB   PHE 152          1HB       PHE 152 -13.581   1.413   6.691
 1211    HD1  PHE 152           1HD      PHE 152 -12.358   3.023   7.803
 1212    HD2  PHE 152           2HD      PHE 152 -11.127  -1.044   8.042
 1213    HE1  PHE 152           1HE      PHE 152 -10.510   3.672   9.294
 1214    HE2  PHE 152           2HE      PHE 152  -9.280  -0.402   9.534
 1215    HZ   PHE 152           HZ       PHE 152  -8.973   1.988  10.154
 1216    H    ASP 153           H        ASP 153 -15.378   1.409   6.718
 1217    HA   ASP 153           HA       ASP 153 -17.263  -0.345   5.288
 1218   1HB   ASP 153          2HB       ASP 153 -17.939   2.127   6.900
 1219   2HB   ASP 153          1HB       ASP 153 -19.083   1.201   5.932
 1220    H    LYS 154           H        LYS 154 -15.275   0.532   3.824
 1221    HA   LYS 154           HA       LYS 154 -14.736   1.634   1.916
 1222   1HB   LYS 154          2HB       LYS 154 -17.012   1.012   1.234
 1223   2HB   LYS 154          1HB       LYS 154 -17.641   2.473   1.974
 1224   1HG   LYS 154          2HG       LYS 154 -15.564   2.685  -0.162
 1225   2HG   LYS 154          1HG       LYS 154 -17.244   2.360  -0.595
 1226   1HD   LYS 154          2HD       LYS 154 -17.933   4.383   0.613
 1227   2HD   LYS 154          1HD       LYS 154 -16.248   4.706   1.024
 1228   1HE   LYS 154          2HE       LYS 154 -16.973   6.047  -0.885
 1229   2HE   LYS 154          1HE       LYS 154 -15.699   4.917  -1.341
 1230   1HZ   LYS 154          1HZ       LYS 154 -17.483   3.419  -2.164
 1231   2HZ   LYS 154          2HZ       LYS 154 -17.363   4.874  -3.018
 1232   3HZ   LYS 154          3HZ       LYS 154 -18.603   4.655  -1.888
 1233    H    LEU 155           H        LEU 155 -13.305   3.168   2.348
 1234    HA   LEU 155           HA       LEU 155 -13.949   5.534   3.852
 1235   1HB   LEU 155          2HB       LEU 155 -11.458   4.881   2.271
 1236   2HB   LEU 155          1HB       LEU 155 -11.620   6.148   3.472
 1237    HG   LEU 155           HG       LEU 155 -11.710   3.167   3.991
 1238   1HD1  LEU 155          1HD1      LEU 155  -9.753   4.934   5.307
 1239   2HD1  LEU 155          2HD1      LEU 155  -9.520   4.668   3.579
 1240   3HD1  LEU 155          3HD1      LEU 155  -9.573   3.294   4.684
 1241   1HD2  LEU 155          1HD2      LEU 155 -13.171   4.877   5.394
 1242   2HD2  LEU 155          2HD2      LEU 155 -11.620   5.174   6.180
 1243   3HD2  LEU 155          3HD2      LEU 155 -12.301   3.548   6.159
 1244    H    ASN 156           H        ASN 156 -13.121   7.745   2.810
 1245    HA   ASN 156           HA       ASN 156 -14.159   7.835   0.060
 1246   1HB   ASN 156          2HB       ASN 156 -14.740   9.672   2.366
 1247   2HB   ASN 156          1HB       ASN 156 -14.924  10.208   0.697
 1248   1HD2  ASN 156          1HD2      ASN 156 -16.512   8.930   3.253
 1249   2HD2  ASN 156          2HD2      ASN 156 -17.820   8.170   2.425
 1250    H    LYS 157           H        LYS 157 -13.124   9.092  -1.380
 1251    HA   LYS 157           HA       LYS 157 -10.412   9.536  -1.068
 1252   1HB   LYS 157          2HB       LYS 157 -12.277  10.978  -2.954
 1253   2HB   LYS 157          1HB       LYS 157 -10.526  10.976  -3.070
 1254   1HG   LYS 157          2HG       LYS 157 -11.212   9.383  -4.628
 1255   2HG   LYS 157          1HG       LYS 157 -10.700   8.439  -3.231
 1256   1HD   LYS 157          2HD       LYS 157 -13.056   8.262  -2.519
 1257   2HD   LYS 157          1HD       LYS 157 -13.542   9.146  -3.967
 1258   1HE   LYS 157          2HE       LYS 157 -12.554   7.370  -5.355
 1259   2HE   LYS 157          1HE       LYS 157 -12.122   6.484  -3.893
 1260   1HZ   LYS 157          1HZ       LYS 157 -14.581   6.567  -3.358
 1261   2HZ   LYS 157          2HZ       LYS 157 -14.115   5.542  -4.620
 1262   3HZ   LYS 157          3HZ       LYS 157 -14.821   7.040  -4.965
 1263    H    TRP 158           H        TRP 158  -9.168  11.283  -0.601
 1264    HA   TRP 158           HA       TRP 158  -9.760  12.829   1.516
 1265   1HB   TRP 158          2HB       TRP 158  -7.516  12.560   0.484
 1266   2HB   TRP 158          1HB       TRP 158  -7.988  13.667  -0.795
 1267    HD1  TRP 158           HD       TRP 158  -6.669  15.817  -0.400
 1268    HE1  TRP 158           1HE      TRP 158  -6.230  17.373   1.602
 1269    HE3  TRP 158           3HE      TRP 158  -8.943  13.079   3.272
 1270    HZ2  TRP 158           2HZ      TRP 158  -6.775  17.432   4.370
 1271    HZ3  TRP 158           3HZ      TRP 158  -8.938  13.957   5.569
 1272    HH2  TRP 158           HH       TRP 158  -7.875  16.088   6.107
  Start of MODEL    4
    1   1H    THR   1          1HT       THR   1   2.449  -8.805 -15.409
    2   2H    THR   1          2HT       THR   1   3.863  -9.507 -14.803
    3   3H    THR   1          3HT       THR   1   3.489  -7.901 -14.429
    4    HA   THR   1           HA       THR   1   1.494  -9.882 -13.705
    5    HB   THR   1           HB       THR   1   4.165  -9.626 -12.307
    6    HG1  THR   1           1HG      THR   1   3.434 -12.125 -12.756
    7   1HG2  THR   1          1HG2      THR   1   2.027  -9.848 -10.842
    8   2HG2  THR   1          2HG2      THR   1   3.429 -10.875 -10.534
    9   3HG2  THR   1          3HG2      THR   1   2.043 -11.516 -11.417
   10    H    VAL   2           H        VAL   2  -0.007  -8.378 -13.223
   11    HA   VAL   2           HA       VAL   2   0.555  -5.839 -12.103
   12    HB   VAL   2           HB       VAL   2  -2.063  -7.353 -12.098
   13   1HG1  VAL   2          1HG1      VAL   2  -1.522  -4.399 -11.802
   14   2HG1  VAL   2          2HG1      VAL   2  -1.998  -5.491 -10.501
   15   3HG1  VAL   2          3HG1      VAL   2  -3.106  -5.173 -11.834
   16   1HG2  VAL   2          1HG2      VAL   2  -1.516  -5.171 -14.025
   17   2HG2  VAL   2          2HG2      VAL   2  -2.485  -6.632 -14.209
   18   3HG2  VAL   2          3HG2      VAL   2  -0.727  -6.721 -14.314
   19    H    ALA   3           H        ALA   3   1.546  -5.748 -10.173
   20    HA   ALA   3           HA       ALA   3   0.594  -7.463  -7.995
   21   1HB   ALA   3          1HB       ALA   3   2.652  -6.710  -6.822
   22   2HB   ALA   3          2HB       ALA   3   3.090  -5.796  -8.265
   23   3HB   ALA   3          3HB       ALA   3   2.969  -7.554  -8.336
   24    H    TYR   4           H        TYR   4  -0.761  -6.665  -6.516
   25    HA   TYR   4           HA       TYR   4  -1.402  -3.865  -6.510
   26   1HB   TYR   4          2HB       TYR   4  -3.223  -5.363  -6.101
   27   2HB   TYR   4          1HB       TYR   4  -2.368  -6.124  -4.760
   28    HD1  TYR   4           1HD      TYR   4  -3.097  -2.567  -5.684
   29    HD2  TYR   4           2HD      TYR   4  -3.370  -5.625  -2.739
   30    HE1  TYR   4           1HE      TYR   4  -4.100  -0.960  -4.117
   31    HE2  TYR   4           2HE      TYR   4  -4.378  -4.027  -1.166
   32    HH   TYR   4           HH       TYR   4  -5.597  -1.052  -2.091
   33    H    ILE   5           H        ILE   5   0.170  -2.635  -5.802
   34    HA   ILE   5           HA       ILE   5   1.539  -3.128  -3.278
   35    HB   ILE   5           HB       ILE   5   1.985  -0.740  -5.038
   36   1HG1  ILE   5          2HG1      ILE   5   3.012  -3.536  -5.540
   37   2HG1  ILE   5          1HG1      ILE   5   1.915  -2.635  -6.565
   38   1HG2  ILE   5          1HG2      ILE   5   3.202  -1.811  -2.738
   39   2HG2  ILE   5          2HG2      ILE   5   3.716  -0.422  -3.693
   40   3HG2  ILE   5          3HG2      ILE   5   4.342  -2.027  -4.067
   41   1HD1  ILE   5          1HD1      ILE   5   4.455  -2.801  -7.128
   42   2HD1  ILE   5          2HD1      ILE   5   4.585  -1.483  -5.962
   43   3HD1  ILE   5          3HD1      ILE   5   3.568  -1.299  -7.392
   44    H    ALA   6           H        ALA   6   0.875  -2.142  -1.440
   45    HA   ALA   6           HA       ALA   6  -1.095   0.019  -1.647
   46   1HB   ALA   6          1HB       ALA   6  -0.961  -2.229  -0.028
   47   2HB   ALA   6          2HB       ALA   6  -2.064  -0.864   0.152
   48   3HB   ALA   6          3HB       ALA   6  -0.544  -0.892   1.045
   49    H    ILE   7           H        ILE   7  -0.185   1.998  -1.745
   50    HA   ILE   7           HA       ILE   7   2.274   2.528  -0.267
   51    HB   ILE   7           HB       ILE   7   0.711   4.289  -2.161
   52   1HG1  ILE   7          2HG1      ILE   7   3.321   2.789  -2.479
   53   2HG1  ILE   7          1HG1      ILE   7   1.796   2.396  -3.265
   54   1HG2  ILE   7          1HG2      ILE   7   2.179   5.319  -0.234
   55   2HG2  ILE   7          2HG2      ILE   7   2.228   5.982  -1.867
   56   3HG2  ILE   7          3HG2      ILE   7   3.502   4.893  -1.319
   57   1HD1  ILE   7          1HD1      ILE   7   3.818   4.382  -3.962
   58   2HD1  ILE   7          2HD1      ILE   7   2.159   4.977  -4.037
   59   3HD1  ILE   7          3HD1      ILE   7   2.632   3.560  -4.974
   60    H    GLY   8           H        GLY   8   2.441   3.830   1.502
   61   1HA   GLY   8          2HA       GLY   8   0.077   5.323   2.363
   62   2HA   GLY   8          1HA       GLY   8   0.682   4.074   3.435
   63    H    SER   9           H        SER   9   0.480   7.134   3.432
   64    HA   SER   9           HA       SER   9   3.106   7.565   4.651
   65   1HB   SER   9          2HB       SER   9   1.826   9.420   2.629
   66   2HB   SER   9          1HB       SER   9   3.255   9.811   3.585
   67    HG   SER   9           HG       SER   9   4.010   9.036   1.674
   68    H    ASN  10           H        ASN  10   3.040   9.713   5.963
   69    HA   ASN  10           HA       ASN  10   0.609  10.899   6.694
   70   1HB   ASN  10          2HB       ASN  10   0.242   9.837   8.919
   71   2HB   ASN  10          1HB       ASN  10  -0.071   8.757   7.566
   72   1HD2  ASN  10          1HD2      ASN  10   1.265   8.920  10.524
   73   2HD2  ASN  10          2HD2      ASN  10   2.423   7.644  10.407
   74    H    LEU  11           H        LEU  11   1.718  12.778   6.880
   75    HA   LEU  11           HA       LEU  11   2.805  13.495   9.328
   76   1HB   LEU  11          2HB       LEU  11   5.171  13.802   8.835
   77   2HB   LEU  11          1HB       LEU  11   4.718  12.117   8.757
   78    HG   LEU  11           HG       LEU  11   6.278  12.531   7.019
   79   1HD1  LEU  11          1HD1      LEU  11   5.029  11.987   4.993
   80   2HD1  LEU  11          2HD1      LEU  11   3.526  12.404   5.815
   81   3HD1  LEU  11          3HD1      LEU  11   4.491  11.040   6.380
   82   1HD2  LEU  11          1HD2      LEU  11   5.512  15.082   7.012
   83   2HD2  LEU  11          2HD2      LEU  11   4.650  14.524   5.577
   84   3HD2  LEU  11          3HD2      LEU  11   6.401  14.342   5.680
   85    H    ALA  12           H        ALA  12   4.224  15.662   8.987
   86    HA   ALA  12           HA       ALA  12   2.494  17.563   7.942
   87   1HB   ALA  12          1HB       ALA  12   4.861  17.620   9.349
   88   2HB   ALA  12          2HB       ALA  12   3.945  19.027   8.804
   89   3HB   ALA  12          3HB       ALA  12   5.277  18.408   7.827
   90    H    SER  13           H        SER  13   1.796  17.378   5.876
   91    HA   SER  13           HA       SER  13   1.800  17.482   3.604
   92   1HB   SER  13          2HB       SER  13   4.630  18.499   3.988
   93   2HB   SER  13          1HB       SER  13   3.722  18.567   2.477
   94    HG   SER  13           HG       SER  13   2.614  20.206   3.216
   95    HA   PRO  14           HA       PRO  14   4.031  13.426   3.504
   96   1HB   PRO  14          2HB       PRO  14   1.904  11.876   2.961
   97   2HB   PRO  14          1HB       PRO  14   2.279  12.404   4.606
   98   1HG   PRO  14          2HG       PRO  14   0.274  13.504   2.676
   99   2HG   PRO  14          1HG       PRO  14   0.101  13.193   4.413
  100   1HD   PRO  14          2HD       PRO  14   0.607  15.665   3.367
  101   2HD   PRO  14          1HD       PRO  14   1.113  15.167   4.992
  102    H    LEU  15           H        LEU  15   2.553  15.444   1.336
  103    HA   LEU  15           HA       LEU  15   2.184  13.906  -0.960
  104   1HB   LEU  15          2HB       LEU  15   1.471  16.243  -0.753
  105   2HB   LEU  15          1HB       LEU  15   3.147  16.759  -0.742
  106    HG   LEU  15           HG       LEU  15   3.398  15.874  -3.051
  107   1HD1  LEU  15          1HD1      LEU  15   1.117  15.577  -4.243
  108   2HD1  LEU  15          2HD1      LEU  15   0.515  15.201  -2.628
  109   3HD1  LEU  15          3HD1      LEU  15   1.801  14.226  -3.338
  110   1HD2  LEU  15          1HD2      LEU  15   1.162  17.668  -3.473
  111   2HD2  LEU  15          2HD2      LEU  15   2.878  17.907  -3.798
  112   3HD2  LEU  15          3HD2      LEU  15   2.232  18.231  -2.189
  113    H    GLU  16           H        GLU  16   5.098  15.304   0.422
  114    HA   GLU  16           HA       GLU  16   6.772  14.697  -1.808
  115   1HB   GLU  16          2HB       GLU  16   7.493  15.320   1.059
  116   2HB   GLU  16          1HB       GLU  16   8.625  15.271  -0.286
  117   1HG   GLU  16          2HG       GLU  16   6.309  17.171   0.008
  118   2HG   GLU  16          1HG       GLU  16   8.009  17.553   0.279
  119    H    GLN  17           H        GLN  17   5.951  13.040   1.198
  120    HA   GLN  17           HA       GLN  17   7.959  11.032   0.933
  121   1HB   GLN  17          2HB       GLN  17   5.395  10.872   2.524
  122   2HB   GLN  17          1HB       GLN  17   6.864   9.944   2.780
  123   1HG   GLN  17          2HG       GLN  17   6.625  12.924   3.100
  124   2HG   GLN  17          1HG       GLN  17   6.573  11.754   4.413
  125   1HE2  GLN  17          1HE2      GLN  17   8.684  10.384   2.412
  126   2HE2  GLN  17          2HE2      GLN  17  10.159  11.089   2.963
  127    H    VAL  18           H        VAL  18   4.506  11.193   0.152
  128    HA   VAL  18           HA       VAL  18   4.152   8.553  -0.698
  129    HB   VAL  18           HB       VAL  18   2.822  11.044  -1.784
  130   1HG1  VAL  18          1HG1      VAL  18   1.845   8.195  -1.896
  131   2HG1  VAL  18          2HG1      VAL  18   2.624   9.032  -3.240
  132   3HG1  VAL  18          3HG1      VAL  18   1.082   9.615  -2.611
  133   1HG2  VAL  18          1HG2      VAL  18   1.307   9.319   0.015
  134   2HG2  VAL  18          2HG2      VAL  18   1.482  11.075   0.005
  135   3HG2  VAL  18          3HG2      VAL  18   2.712  10.070   0.771
  136    H    ASN  19           H        ASN  19   5.529  11.361  -2.255
  137    HA   ASN  19           HA       ASN  19   5.705  10.216  -4.865
  138   1HB   ASN  19          2HB       ASN  19   7.161  12.558  -3.617
  139   2HB   ASN  19          1HB       ASN  19   7.254  12.121  -5.319
  140   1HD2  ASN  19          1HD2      ASN  19   4.207  11.354  -4.395
  141   2HD2  ASN  19          2HD2      ASN  19   3.399  12.822  -4.807
  142    H    ALA  20           H        ALA  20   7.638  10.130  -1.985
  143    HA   ALA  20           HA       ALA  20  10.146   9.465  -2.984
  144   1HB   ALA  20          1HB       ALA  20   9.694   9.945  -0.623
  145   2HB   ALA  20          2HB       ALA  20  10.579   8.433  -0.831
  146   3HB   ALA  20          3HB       ALA  20   8.851   8.403  -0.480
  147    H    ALA  21           H        ALA  21   7.478   7.303  -2.071
  148    HA   ALA  21           HA       ALA  21   8.824   4.942  -2.996
  149   1HB   ALA  21          1HB       ALA  21   5.998   4.549  -2.961
  150   2HB   ALA  21          2HB       ALA  21   6.436   5.530  -1.562
  151   3HB   ALA  21          3HB       ALA  21   7.204   3.962  -1.816
  152    H    LEU  22           H        LEU  22   6.683   7.334  -4.289
  153    HA   LEU  22           HA       LEU  22   5.837   5.995  -6.621
  154   1HB   LEU  22          2HB       LEU  22   4.499   7.781  -6.210
  155   2HB   LEU  22          1HB       LEU  22   5.802   8.749  -5.553
  156    HG   LEU  22           HG       LEU  22   6.603   9.133  -7.881
  157   1HD1  LEU  22          1HD1      LEU  22   5.177   7.050  -8.655
  158   2HD1  LEU  22          2HD1      LEU  22   5.490   8.403  -9.743
  159   3HD1  LEU  22          3HD1      LEU  22   3.942   8.284  -8.906
  160   1HD2  LEU  22          1HD2      LEU  22   5.526  11.036  -7.470
  161   2HD2  LEU  22          2HD2      LEU  22   4.248  10.200  -6.588
  162   3HD2  LEU  22          3HD2      LEU  22   4.153  10.358  -8.344
  163    H    LYS  23           H        LYS  23   8.713   7.842  -5.836
  164    HA   LYS  23           HA       LYS  23   9.617   8.231  -8.496
  165   1HB   LYS  23          2HB       LYS  23  11.131   8.167  -5.881
  166   2HB   LYS  23          1HB       LYS  23  11.848   8.618  -7.420
  167   1HG   LYS  23          2HG       LYS  23  10.321  10.503  -7.598
  168   2HG   LYS  23          1HG       LYS  23   9.560  10.040  -6.075
  169   1HD   LYS  23          2HD       LYS  23  11.699  10.373  -4.917
  170   2HD   LYS  23          1HD       LYS  23  12.443  10.855  -6.442
  171   1HE   LYS  23          2HE       LYS  23  11.842  12.802  -5.102
  172   2HE   LYS  23          1HE       LYS  23  10.915  12.750  -6.602
  173   1HZ   LYS  23          1HZ       LYS  23   9.273  13.198  -5.111
  174   2HZ   LYS  23          2HZ       LYS  23  10.011  12.357  -3.844
  175   3HZ   LYS  23          3HZ       LYS  23   9.213  11.509  -5.069
  176    H    ALA  24           H        ALA  24  10.542   5.878  -5.987
  177    HA   ALA  24           HA       ALA  24  12.220   4.356  -7.703
  178   1HB   ALA  24          1HB       ALA  24  11.490   4.339  -4.960
  179   2HB   ALA  24          2HB       ALA  24  12.801   3.465  -5.752
  180   3HB   ALA  24          3HB       ALA  24  11.209   2.722  -5.607
  181    H    LEU  25           H        LEU  25   8.971   3.642  -6.394
  182    HA   LEU  25           HA       LEU  25   8.489   1.330  -7.829
  183   1HB   LEU  25          2HB       LEU  25   7.044   2.419  -6.011
  184   2HB   LEU  25          1HB       LEU  25   6.348   3.377  -7.305
  185    HG   LEU  25           HG       LEU  25   5.567   1.340  -8.415
  186   1HD1  LEU  25          1HD1      LEU  25   5.954  -0.798  -7.647
  187   2HD1  LEU  25          2HD1      LEU  25   6.346  -0.256  -6.014
  188   3HD1  LEU  25          3HD1      LEU  25   7.499  -0.012  -7.326
  189   1HD2  LEU  25          1HD2      LEU  25   4.727   1.222  -5.533
  190   2HD2  LEU  25          2HD2      LEU  25   3.764   0.892  -6.973
  191   3HD2  LEU  25          3HD2      LEU  25   4.251   2.545  -6.597
  192    H    GLY  26           H        GLY  26   8.194   4.691  -8.805
  193   1HA   GLY  26          2HA       GLY  26   6.825   4.373 -11.217
  194   2HA   GLY  26          1HA       GLY  26   7.992   5.649 -10.883
  195    H    ASP  27           H        ASP  27  10.266   4.069 -10.463
  196    HA   ASP  27           HA       ASP  27  10.612   2.699 -13.039
  197   1HB   ASP  27          2HB       ASP  27  11.566   4.980 -13.165
  198   2HB   ASP  27          1HB       ASP  27  12.605   4.605 -11.795
  199    H    ILE  28           H        ILE  28  10.730   0.683 -12.346
  200    HA   ILE  28           HA       ILE  28  12.615  -0.042 -10.195
  201    HB   ILE  28           HB       ILE  28  10.366  -1.695 -11.348
  202   1HG1  ILE  28          2HG1      ILE  28   9.559   0.356 -10.151
  203   2HG1  ILE  28          1HG1      ILE  28   9.037  -1.154  -9.412
  204   1HG2  ILE  28          1HG2      ILE  28  12.019  -2.109  -8.874
  205   2HG2  ILE  28          2HG2      ILE  28  12.103  -3.047 -10.364
  206   3HG2  ILE  28          3HG2      ILE  28  10.648  -3.100  -9.370
  207   1HD1  ILE  28          1HD1      ILE  28  11.437  -0.527  -8.149
  208   2HD1  ILE  28          2HD1      ILE  28   9.808  -0.372  -7.492
  209   3HD1  ILE  28          3HD1      ILE  28  10.570   1.001  -8.291
  210    HA   PRO  29           HA       PRO  29  15.682  -2.048 -12.721
  211   1HB   PRO  29          2HB       PRO  29  14.333  -4.444 -11.503
  212   2HB   PRO  29          1HB       PRO  29  16.042  -4.186 -11.832
  213   1HG   PRO  29          2HG       PRO  29  14.968  -3.733  -9.396
  214   2HG   PRO  29          1HG       PRO  29  16.328  -2.789 -10.026
  215   1HD   PRO  29          2HD       PRO  29  13.614  -1.921  -9.492
  216   2HD   PRO  29          1HD       PRO  29  15.014  -0.944  -9.980
  217    H    GLU  30           H        GLU  30  12.530  -3.764 -12.643
  218    HA   GLU  30           HA       GLU  30  12.475  -3.705 -15.563
  219   1HB   GLU  30          2HB       GLU  30  12.204  -6.248 -13.953
  220   2HB   GLU  30          1HB       GLU  30  11.879  -6.107 -15.675
  221   1HG   GLU  30          2HG       GLU  30  14.212  -5.493 -16.065
  222   2HG   GLU  30          1HG       GLU  30  14.536  -5.643 -14.338
  223    H    SER  31           H        SER  31  10.904  -3.302 -12.666
  224    HA   SER  31           HA       SER  31   8.264  -4.108 -13.554
  225   1HB   SER  31          2HB       SER  31   9.027  -2.548 -11.080
  226   2HB   SER  31          1HB       SER  31   7.509  -3.392 -11.376
  227    HG   SER  31           HG       SER  31  10.016  -4.407 -10.706
  228    H    HIS  32           H        HIS  32   6.447  -2.394 -13.064
  229    HA   HIS  32           HA       HIS  32   7.036   0.345 -13.564
  230   1HB   HIS  32          2HB       HIS  32   7.487  -0.408 -15.811
  231   2HB   HIS  32          1HB       HIS  32   5.962  -1.281 -15.875
  232    HD1  HIS  32           1HD      HIS  32   6.947   2.341 -15.178
  233    HD2  HIS  32           2HD      HIS  32   4.180   0.113 -17.335
  234    HE1  HIS  32           1HE      HIS  32   5.521   4.025 -16.385
  235    HE2  HIS  32           2HE      HIS  32   3.833   2.655 -17.659
  236    H    ILE  33           H        ILE  33   5.331   1.654 -13.139
  237    HA   ILE  33           HA       ILE  33   3.154   0.703 -11.680
  238    HB   ILE  33           HB       ILE  33   3.627   3.328 -13.072
  239   1HG1  ILE  33          2HG1      ILE  33   5.108   2.838 -11.197
  240   2HG1  ILE  33          1HG1      ILE  33   3.998   4.137 -10.774
  241   1HG2  ILE  33          1HG2      ILE  33   1.334   2.580 -11.264
  242   2HG2  ILE  33          2HG2      ILE  33   1.242   3.105 -12.945
  243   3HG2  ILE  33          3HG2      ILE  33   1.766   4.234 -11.695
  244   1HD1  ILE  33          1HD1      ILE  33   4.370   2.484  -8.971
  245   2HD1  ILE  33          2HD1      ILE  33   3.605   1.264  -9.989
  246   3HD1  ILE  33          3HD1      ILE  33   2.680   2.663  -9.441
  247    H    LEU  34           H        LEU  34   0.905   0.617 -12.144
  248    HA   LEU  34           HA       LEU  34   0.171   0.583 -14.987
  249   1HB   LEU  34          2HB       LEU  34   0.660  -1.733 -14.016
  250   2HB   LEU  34          1HB       LEU  34  -0.787  -1.516 -13.051
  251    HG   LEU  34           HG       LEU  34  -1.162  -2.890 -15.069
  252   1HD1  LEU  34          1HD1      LEU  34  -3.229  -1.975 -15.638
  253   2HD1  LEU  34          2HD1      LEU  34  -2.669  -0.321 -15.394
  254   3HD1  LEU  34          3HD1      LEU  34  -2.924  -1.379 -14.006
  255   1HD2  LEU  34          1HD2      LEU  34   0.404  -0.966 -16.323
  256   2HD2  LEU  34          2HD2      LEU  34  -1.215  -0.732 -16.978
  257   3HD2  LEU  34          3HD2      LEU  34  -0.440  -2.312 -17.084
  258    H    THR  35           H        THR  35  -1.312   0.093 -11.762
  259    HA   THR  35           HA       THR  35  -3.354   2.084 -12.513
  260    HB   THR  35           HB       THR  35  -4.807   0.717 -10.809
  261    HG1  THR  35           1HG      THR  35  -3.715  -1.584 -11.637
  262   1HG2  THR  35          1HG2      THR  35  -4.607  -1.013 -13.118
  263   2HG2  THR  35          2HG2      THR  35  -4.645   0.690 -13.572
  264   3HG2  THR  35          3HG2      THR  35  -5.937   0.014 -12.581
  265    H    VAL  36           H        VAL  36  -3.580   3.770 -11.198
  266    HA   VAL  36           HA       VAL  36  -2.852   3.562  -8.382
  267    HB   VAL  36           HB       VAL  36  -1.601   5.613 -10.218
  268   1HG1  VAL  36          1HG1      VAL  36  -2.254   6.583  -8.065
  269   2HG1  VAL  36          2HG1      VAL  36  -0.502   6.489  -8.233
  270   3HG1  VAL  36          3HG1      VAL  36  -1.355   5.319  -7.226
  271   1HG2  VAL  36          1HG2      VAL  36   0.493   4.606  -9.717
  272   2HG2  VAL  36          2HG2      VAL  36  -0.597   3.308 -10.204
  273   3HG2  VAL  36          3HG2      VAL  36  -0.231   3.558  -8.497
  274    H    SER  37           H        SER  37  -4.732   4.169  -7.483
  275    HA   SER  37           HA       SER  37  -5.640   6.854  -7.748
  276   1HB   SER  37          2HB       SER  37  -6.626   5.954  -9.813
  277   2HB   SER  37          1HB       SER  37  -7.429   4.689  -8.882
  278    HG   SER  37           HG       SER  37  -7.849   7.484  -8.602
  279    H    SER  38           H        SER  38  -7.924   7.013  -6.614
  280    HA   SER  38           HA       SER  38  -9.155   6.787  -4.724
  281   1HB   SER  38          2HB       SER  38  -8.047   3.972  -4.700
  282   2HB   SER  38          1HB       SER  38  -9.379   4.552  -3.701
  283    HG   SER  38           HG       SER  38 -10.272   3.598  -5.486
  284    H    PHE  39           H        PHE  39  -7.340   8.340  -4.043
  285    HA   PHE  39           HA       PHE  39  -5.357   7.380  -2.224
  286   1HB   PHE  39          2HB       PHE  39  -6.476  10.158  -2.671
  287   2HB   PHE  39          1HB       PHE  39  -5.130   9.804  -1.596
  288    HD1  PHE  39           1HD      PHE  39  -6.079   8.901  -5.101
  289    HD2  PHE  39           2HD      PHE  39  -3.096  10.373  -2.448
  290    HE1  PHE  39           1HE      PHE  39  -4.515   9.116  -6.988
  291    HE2  PHE  39           2HE      PHE  39  -1.526  10.594  -4.330
  292    HZ   PHE  39           HZ       PHE  39  -2.235   9.966  -6.603
  293    H    TYR  40           H        TYR  40  -6.422   6.104  -0.708
  294    HA   TYR  40           HA       TYR  40  -8.657   7.115   0.778
  295   1HB   TYR  40          2HB       TYR  40  -8.493   5.021   2.053
  296   2HB   TYR  40          1HB       TYR  40  -8.494   4.739   0.317
  297    HD1  TYR  40           1HD      TYR  40  -6.414   4.068  -0.826
  298    HD2  TYR  40           2HD      TYR  40  -6.624   4.409   3.410
  299    HE1  TYR  40           1HE      TYR  40  -4.369   2.715  -0.621
  300    HE2  TYR  40           2HE      TYR  40  -4.578   3.060   3.628
  301    HH   TYR  40           HH       TYR  40  -2.608   2.262   0.909
  302    H    ARG  41           H        ARG  41  -8.769   7.885   2.794
  303    HA   ARG  41           HA       ARG  41  -6.238   8.719   4.012
  304   1HB   ARG  41          2HB       ARG  41  -7.948  10.439   3.491
  305   2HB   ARG  41          1HB       ARG  41  -9.060   9.634   4.594
  306   1HG   ARG  41          2HG       ARG  41  -7.690  10.161   6.476
  307   2HG   ARG  41          1HG       ARG  41  -6.387  10.739   5.435
  308   1HD   ARG  41          2HD       ARG  41  -7.749  12.584   4.686
  309   2HD   ARG  41          1HD       ARG  41  -9.132  11.978   5.596
  310    HE   ARG  41           HE       ARG  41  -7.060  13.608   6.592
  311   1HH1  ARG  41          1HH1      ARG  41  -9.037  10.880   7.491
  312   2HH1  ARG  41          2HH1      ARG  41  -8.912  11.188   9.190
  313   1HH2  ARG  41          1HH2      ARG  41  -6.892  14.018   8.829
  314   2HH2  ARG  41          2HH2      ARG  41  -7.694  12.969   9.951
  315    H    THR  42           H        THR  42  -5.621   8.107   6.031
  316    HA   THR  42           HA       THR  42  -7.392   6.220   7.438
  317    HB   THR  42           HB       THR  42  -4.369   6.289   7.418
  318    HG1  THR  42           1HG      THR  42  -4.567   4.376   6.245
  319   1HG2  THR  42          1HG2      THR  42  -5.727   3.888   8.383
  320   2HG2  THR  42          2HG2      THR  42  -5.877   5.295   9.435
  321   3HG2  THR  42          3HG2      THR  42  -4.279   4.701   8.981
  322    HA   PRO  43           HA       PRO  43  -7.151   9.350  10.629
  323   1HB   PRO  43          2HB       PRO  43  -9.045   8.349  12.236
  324   2HB   PRO  43          1HB       PRO  43  -9.451   9.108  10.692
  325   1HG   PRO  43          2HG       PRO  43  -9.268   6.205  11.388
  326   2HG   PRO  43          1HG       PRO  43 -10.459   7.043  10.379
  327   1HD   PRO  43          2HD       PRO  43  -8.299   5.628   9.406
  328   2HD   PRO  43          1HD       PRO  43  -9.140   6.912   8.519
  329    HA   PRO  44           HA       PRO  44  -4.355   7.497  13.539
  330   1HB   PRO  44          2HB       PRO  44  -4.546   9.308  15.563
  331   2HB   PRO  44          1HB       PRO  44  -3.654   9.613  14.070
  332   1HG   PRO  44          2HG       PRO  44  -6.428  10.464  14.823
  333   2HG   PRO  44          1HG       PRO  44  -5.138  11.410  14.051
  334   1HD   PRO  44          2HD       PRO  44  -7.155  10.348  12.626
  335   2HD   PRO  44          1HD       PRO  44  -5.505  10.451  11.978
  336    H    LEU  45           H        LEU  45  -6.418   9.021  15.911
  337    HA   LEU  45           HA       LEU  45  -7.623   8.214  17.654
  338   1HB   LEU  45          2HB       LEU  45  -8.167   6.011  15.668
  339   2HB   LEU  45          1HB       LEU  45  -8.920   6.082  17.249
  340    HG   LEU  45           HG       LEU  45  -9.904   8.290  16.620
  341   1HD1  LEU  45          1HD1      LEU  45  -9.175   9.366  14.827
  342   2HD1  LEU  45          2HD1      LEU  45  -9.809   8.072  13.811
  343   3HD1  LEU  45          3HD1      LEU  45  -8.146   8.001  14.394
  344   1HD2  LEU  45          1HD2      LEU  45 -10.608   6.010  14.779
  345   2HD2  LEU  45          2HD2      LEU  45 -11.652   7.357  15.233
  346   3HD2  LEU  45          3HD2      LEU  45 -11.155   6.179  16.448
  347    H    GLY  46           H        GLY  46  -4.863   7.762  17.731
  348   1HA   GLY  46          2HA       GLY  46  -4.583   5.998  19.841
  349   2HA   GLY  46          1HA       GLY  46  -4.253   5.054  18.394
  350    HA   PRO  47           HA       PRO  47  -0.098   6.446  18.042
  351   1HB   PRO  47          2HB       PRO  47  -0.701   7.828  15.478
  352   2HB   PRO  47          1HB       PRO  47   0.512   6.591  15.829
  353   1HG   PRO  47          2HG       PRO  47  -1.694   5.982  14.469
  354   2HG   PRO  47          1HG       PRO  47  -1.018   4.855  15.662
  355   1HD   PRO  47          2HD       PRO  47  -3.382   6.670  15.892
  356   2HD   PRO  47          1HD       PRO  47  -3.159   5.022  16.516
  357    H    GLN  48           H        GLN  48  -2.403   8.928  16.931
  358    HA   GLN  48           HA       GLN  48  -1.679  10.788  18.905
  359   1HB   GLN  48          2HB       GLN  48  -0.471  12.448  17.616
  360   2HB   GLN  48          1HB       GLN  48   0.397  10.921  17.616
  361   1HG   GLN  48          2HG       GLN  48  -1.365  11.840  15.365
  362   2HG   GLN  48          1HG       GLN  48   0.373  12.113  15.434
  363   1HE2  GLN  48          1HE2      GLN  48  -1.972  10.151  14.265
  364   2HE2  GLN  48          2HE2      GLN  48  -1.045   8.720  13.979
  365    H    ASP  49           H        ASP  49  -2.112  13.181  17.313
  366    HA   ASP  49           HA       ASP  49  -4.810  12.729  16.253
  367   1HB   ASP  49          2HB       ASP  49  -4.083  14.814  18.320
  368   2HB   ASP  49          1HB       ASP  49  -5.632  14.718  17.488
  369    H    GLN  50           H        GLN  50  -2.209  13.351  14.974
  370    HA   GLN  50           HA       GLN  50  -3.174  15.476  13.298
  371   1HB   GLN  50          2HB       GLN  50  -1.028  16.816  13.566
  372   2HB   GLN  50          1HB       GLN  50  -2.219  16.943  14.851
  373   1HG   GLN  50          2HG       GLN  50  -0.142  16.785  15.921
  374   2HG   GLN  50          1HG       GLN  50  -0.875  15.193  16.086
  375   1HE2  GLN  50          1HE2      GLN  50   0.555  13.646  15.881
  376   2HE2  GLN  50          2HE2      GLN  50   1.903  13.629  14.801
  377    HA   PRO  51           HA       PRO  51  -0.052  12.653  11.278
  378   1HB   PRO  51          2HB       PRO  51  -1.293  10.358  10.820
  379   2HB   PRO  51          1HB       PRO  51  -0.653  10.728  12.428
  380   1HG   PRO  51          2HG       PRO  51  -3.463  10.744  11.458
  381   2HG   PRO  51          1HG       PRO  51  -2.830  10.364  13.068
  382   1HD   PRO  51          2HD       PRO  51  -3.927  12.839  12.178
  383   2HD   PRO  51          1HD       PRO  51  -3.164  12.499  13.744
  384    H    ASP  52           H        ASP  52  -3.494  12.191  10.367
  385    HA   ASP  52           HA       ASP  52  -4.584  12.374   8.383
  386   1HB   ASP  52          2HB       ASP  52  -2.349  14.309   7.719
  387   2HB   ASP  52          1HB       ASP  52  -3.860  14.149   6.831
  388    H    TYR  53           H        TYR  53  -3.680  10.087   8.276
  389    HA   TYR  53           HA       TYR  53  -1.444   9.460   6.714
  390   1HB   TYR  53          2HB       TYR  53  -3.945   7.892   7.315
  391   2HB   TYR  53          1HB       TYR  53  -2.601   7.224   6.401
  392    HD1  TYR  53           1HD      TYR  53  -1.302   5.790   7.612
  393    HD2  TYR  53           2HD      TYR  53  -2.967   9.163   9.596
  394    HE1  TYR  53           1HE      TYR  53  -0.227   5.080   9.704
  395    HE2  TYR  53           2HE      TYR  53  -1.891   8.463  11.695
  396    HH   TYR  53           HH       TYR  53  -0.343   5.376  12.028
  397    H    LEU  54           H        LEU  54  -1.156  10.181   4.703
  398    HA   LEU  54           HA       LEU  54  -3.412  10.195   2.838
  399   1HB   LEU  54          2HB       LEU  54  -2.000  12.206   2.936
  400   2HB   LEU  54          1HB       LEU  54  -0.595  11.244   2.519
  401    HG   LEU  54           HG       LEU  54  -1.550  10.765   0.317
  402   1HD1  LEU  54          1HD1      LEU  54  -3.834  10.747   0.440
  403   2HD1  LEU  54          2HD1      LEU  54  -3.576  12.354  -0.241
  404   3HD1  LEU  54          3HD1      LEU  54  -3.901  12.169   1.482
  405   1HD2  LEU  54          1HD2      LEU  54  -1.641  13.718   0.907
  406   2HD2  LEU  54          2HD2      LEU  54  -1.281  12.947  -0.638
  407   3HD2  LEU  54          3HD2      LEU  54  -0.155  12.787   0.712
  408    H    ASN  55           H        ASN  55  -3.738   8.137   2.203
  409    HA   ASN  55           HA       ASN  55  -1.437   6.696   1.056
  410   1HB   ASN  55          2HB       ASN  55  -3.867   5.438   2.319
  411   2HB   ASN  55          1HB       ASN  55  -2.377   4.637   1.836
  412   1HD2  ASN  55          1HD2      ASN  55  -1.421   3.951   3.609
  413   2HD2  ASN  55          2HD2      ASN  55  -1.159   4.873   5.046
  414    H    ALA  56           H        ALA  56  -2.117   4.990  -0.550
  415    HA   ALA  56           HA       ALA  56  -4.617   5.320  -1.907
  416   1HB   ALA  56          1HB       ALA  56  -3.763   7.200  -2.953
  417   2HB   ALA  56          2HB       ALA  56  -3.376   5.921  -4.102
  418   3HB   ALA  56          3HB       ALA  56  -2.127   6.544  -3.025
  419    H    ALA  57           H        ALA  57  -4.800   3.899  -3.796
  420    HA   ALA  57           HA       ALA  57  -3.310   1.433  -3.354
  421   1HB   ALA  57          1HB       ALA  57  -5.821   2.083  -4.867
  422   2HB   ALA  57          2HB       ALA  57  -5.626   1.056  -3.445
  423   3HB   ALA  57          3HB       ALA  57  -5.014   0.521  -5.010
  424    H    VAL  58           H        VAL  58  -1.847   0.627  -4.671
  425    HA   VAL  58           HA       VAL  58  -1.595   1.718  -7.372
  426    HB   VAL  58           HB       VAL  58   0.693   1.348  -5.425
  427   1HG1  VAL  58          1HG1      VAL  58   0.619   1.326  -8.305
  428   2HG1  VAL  58          2HG1      VAL  58   1.973   1.030  -7.215
  429   3HG1  VAL  58          3HG1      VAL  58   1.586   2.677  -7.711
  430   1HG2  VAL  58          1HG2      VAL  58  -0.982   3.593  -6.051
  431   2HG2  VAL  58          2HG2      VAL  58   0.683   3.928  -6.530
  432   3HG2  VAL  58          3HG2      VAL  58   0.319   3.466  -4.867
  433    H    ALA  59           H        ALA  59  -0.977   0.238  -8.869
  434    HA   ALA  59           HA       ALA  59  -0.269  -2.449  -7.968
  435   1HB   ALA  59          1HB       ALA  59  -2.796  -2.050  -8.620
  436   2HB   ALA  59          2HB       ALA  59  -1.949  -3.525  -9.090
  437   3HB   ALA  59          3HB       ALA  59  -2.158  -2.218 -10.256
  438    H    LEU  60           H        LEU  60   1.798  -2.173  -8.622
  439    HA   LEU  60           HA       LEU  60   2.291  -1.382 -11.389
  440   1HB   LEU  60          2HB       LEU  60   3.804  -0.237 -10.139
  441   2HB   LEU  60          1HB       LEU  60   3.885  -1.471  -8.901
  442    HG   LEU  60           HG       LEU  60   5.119  -2.048 -11.557
  443   1HD1  LEU  60          1HD1      LEU  60   7.005  -0.896  -9.700
  444   2HD1  LEU  60          2HD1      LEU  60   5.767   0.272 -10.158
  445   3HD1  LEU  60          3HD1      LEU  60   6.734  -0.523 -11.401
  446   1HD2  LEU  60          1HD2      LEU  60   5.039  -3.799  -9.881
  447   2HD2  LEU  60          2HD2      LEU  60   5.793  -2.732  -8.695
  448   3HD2  LEU  60          3HD2      LEU  60   6.702  -3.265 -10.108
  449    H    GLU  61           H        GLU  61   2.962  -2.705 -12.956
  450    HA   GLU  61           HA       GLU  61   2.830  -5.537 -12.502
  451   1HB   GLU  61          2HB       GLU  61   3.353  -5.683 -14.948
  452   2HB   GLU  61          1HB       GLU  61   1.935  -4.718 -14.571
  453   1HG   GLU  61          2HG       GLU  61   3.250  -2.678 -14.846
  454   2HG   GLU  61          1HG       GLU  61   4.672  -3.649 -15.222
  455    H    THR  62           H        THR  62   4.495  -6.085 -11.169
  456    HA   THR  62           HA       THR  62   7.205  -5.356 -11.883
  457    HB   THR  62           HB       THR  62   6.729  -5.160  -9.565
  458    HG1  THR  62           1HG      THR  62   8.357  -6.295  -8.798
  459   1HG2  THR  62          1HG2      THR  62   6.208  -7.523  -8.408
  460   2HG2  THR  62          2HG2      THR  62   5.300  -7.700  -9.910
  461   3HG2  THR  62          3HG2      THR  62   4.971  -6.341  -8.835
  462    H    SER  63           H        SER  63   8.842  -7.088 -11.505
  463    HA   SER  63           HA       SER  63   8.063  -9.686 -12.646
  464   1HB   SER  63          2HB       SER  63   9.049  -8.339 -14.479
  465   2HB   SER  63          1HB       SER  63  10.476  -8.040 -13.488
  466    HG   SER  63           HG       SER  63  11.214  -9.921 -14.042
  467    H    LEU  64           H        LEU  64   9.360  -7.808 -10.375
  468    HA   LEU  64           HA       LEU  64  11.045  -9.895  -9.200
  469   1HB   LEU  64          2HB       LEU  64  11.935  -7.771  -7.934
  470   2HB   LEU  64          1HB       LEU  64  12.551  -8.184  -9.524
  471    HG   LEU  64           HG       LEU  64  10.506  -6.561 -10.225
  472   1HD1  LEU  64          1HD1      LEU  64   9.757  -5.269  -8.599
  473   2HD1  LEU  64          2HD1      LEU  64  11.396  -4.739  -8.224
  474   3HD1  LEU  64          3HD1      LEU  64  10.732  -6.176  -7.444
  475   1HD2  LEU  64          1HD2      LEU  64  12.213  -4.787 -10.447
  476   2HD2  LEU  64          2HD2      LEU  64  12.770  -6.356 -11.029
  477   3HD2  LEU  64          3HD2      LEU  64  13.311  -5.755  -9.463
  478    H    ALA  65           H        ALA  65   9.502 -10.888  -7.974
  479    HA   ALA  65           HA       ALA  65   7.284 -10.063  -6.766
  480   1HB   ALA  65          1HB       ALA  65   7.815 -12.297  -6.441
  481   2HB   ALA  65          2HB       ALA  65   7.920 -11.621  -4.816
  482   3HB   ALA  65          3HB       ALA  65   9.388 -11.925  -5.742
  483    HA   PRO  66           HA       PRO  66   7.478  -6.656  -3.986
  484   1HB   PRO  66          2HB       PRO  66   6.468  -8.730  -2.072
  485   2HB   PRO  66          1HB       PRO  66   5.940  -7.057  -2.288
  486   1HG   PRO  66          2HG       PRO  66   4.610  -9.116  -3.384
  487   2HG   PRO  66          1HG       PRO  66   4.738  -7.536  -4.170
  488   1HD   PRO  66          2HD       PRO  66   5.939 -10.090  -4.951
  489   2HD   PRO  66          1HD       PRO  66   5.764  -8.601  -5.900
  490    H    GLU  67           H        GLU  67   9.180  -9.602  -3.320
  491    HA   GLU  67           HA       GLU  67  10.351  -8.870  -0.856
  492   1HB   GLU  67          2HB       GLU  67  11.556 -10.597  -3.031
  493   2HB   GLU  67          1HB       GLU  67  11.949 -10.629  -1.315
  494   1HG   GLU  67          2HG       GLU  67   9.780 -11.493  -0.772
  495   2HG   GLU  67          1HG       GLU  67   9.240 -11.310  -2.444
  496    H    GLU  68           H        GLU  68  11.533  -8.756  -4.174
  497    HA   GLU  68           HA       GLU  68  13.732  -7.026  -3.558
  498   1HB   GLU  68          2HB       GLU  68  14.242  -8.362  -5.361
  499   2HB   GLU  68          1HB       GLU  68  12.597  -8.337  -5.980
  500   1HG   GLU  68          2HG       GLU  68  13.930  -7.160  -7.520
  501   2HG   GLU  68          1HG       GLU  68  12.973  -5.972  -6.635
  502    H    LEU  69           H        LEU  69  10.555  -6.728  -5.088
  503    HA   LEU  69           HA       LEU  69  10.690  -4.086  -5.928
  504   1HB   LEU  69          2HB       LEU  69   8.782  -4.902  -6.745
  505   2HB   LEU  69          1HB       LEU  69   8.600  -6.062  -5.452
  506    HG   LEU  69           HG       LEU  69   7.689  -4.167  -4.040
  507   1HD1  LEU  69          1HD1      LEU  69   6.850  -2.204  -5.208
  508   2HD1  LEU  69          2HD1      LEU  69   7.580  -2.773  -6.709
  509   3HD1  LEU  69          3HD1      LEU  69   8.605  -2.321  -5.346
  510   1HD2  LEU  69          1HD2      LEU  69   6.115  -4.776  -6.539
  511   2HD2  LEU  69          2HD2      LEU  69   5.475  -4.348  -4.953
  512   3HD2  LEU  69          3HD2      LEU  69   6.295  -5.891  -5.185
  513    H    LEU  70           H        LEU  70   9.654  -5.352  -2.760
  514    HA   LEU  70           HA       LEU  70   8.952  -2.921  -1.584
  515   1HB   LEU  70          2HB       LEU  70   9.652  -5.600  -0.631
  516   2HB   LEU  70          1HB       LEU  70  10.079  -4.330   0.494
  517    HG   LEU  70           HG       LEU  70   7.706  -3.537   0.393
  518   1HD1  LEU  70          1HD1      LEU  70   7.402  -4.862  -1.847
  519   2HD1  LEU  70          2HD1      LEU  70   6.056  -4.653  -0.726
  520   3HD1  LEU  70          3HD1      LEU  70   6.950  -6.172  -0.756
  521   1HD2  LEU  70          1HD2      LEU  70   6.975  -5.044   2.008
  522   2HD2  LEU  70          2HD2      LEU  70   8.731  -5.165   2.097
  523   3HD2  LEU  70          3HD2      LEU  70   7.803  -6.404   1.252
  524    H    ASN  71           H        ASN  71  12.075  -4.614  -1.640
  525    HA   ASN  71           HA       ASN  71  13.603  -3.029  -0.055
  526   1HB   ASN  71          2HB       ASN  71  14.303  -4.394  -2.640
  527   2HB   ASN  71          1HB       ASN  71  15.511  -3.542  -1.685
  528   1HD2  ASN  71          1HD2      ASN  71  14.314  -6.485  -2.296
  529   2HD2  ASN  71          2HD2      ASN  71  14.652  -7.277  -0.801
  530    H    HIS  72           H        HIS  72  12.900  -2.322  -3.492
  531    HA   HIS  72           HA       HIS  72  14.461   0.034  -3.559
  532   1HB   HIS  72          2HB       HIS  72  12.211  -0.924  -5.327
  533   2HB   HIS  72          1HB       HIS  72  13.192   0.498  -5.672
  534    HD1  HIS  72           1HD      HIS  72  15.797   0.019  -6.084
  535    HD2  HIS  72           2HD      HIS  72  13.315  -3.311  -6.067
  536    HE1  HIS  72           1HE      HIS  72  17.142  -1.823  -7.140
  537    HE2  HIS  72           2HE      HIS  72  15.587  -3.805  -7.206
  538    H    THR  73           H        THR  73  10.918  -0.379  -3.382
  539    HA   THR  73           HA       THR  73  10.277   2.327  -3.179
  540    HB   THR  73           HB       THR  73   8.204   1.466  -1.977
  541    HG1  THR  73           1HG      THR  73   8.534  -1.085  -2.608
  542   1HG2  THR  73          1HG2      THR  73   8.912   0.069  -4.546
  543   2HG2  THR  73          2HG2      THR  73   8.241   1.696  -4.411
  544   3HG2  THR  73          3HG2      THR  73   7.292   0.304  -3.891
  545    H    GLN  74           H        GLN  74  11.148  -0.000  -0.692
  546    HA   GLN  74           HA       GLN  74  10.844   1.874   1.463
  547   1HB   GLN  74          2HB       GLN  74  11.494   0.107   2.904
  548   2HB   GLN  74          1HB       GLN  74  10.504  -0.635   1.659
  549   1HG   GLN  74          2HG       GLN  74  12.501  -1.415   0.513
  550   2HG   GLN  74          1HG       GLN  74  13.512  -0.642   1.731
  551   1HE2  GLN  74          1HE2      GLN  74  10.896  -1.720   3.366
  552   2HE2  GLN  74          2HE2      GLN  74  11.471  -3.273   3.854
  553    H    ARG  75           H        ARG  75  13.160   1.174  -0.864
  554    HA   ARG  75           HA       ARG  75  15.553   1.700   0.602
  555   1HB   ARG  75          2HB       ARG  75  15.402   0.534  -1.639
  556   2HB   ARG  75          1HB       ARG  75  15.061   2.098  -2.359
  557   1HG   ARG  75          2HG       ARG  75  17.241   2.913  -1.637
  558   2HG   ARG  75          1HG       ARG  75  17.584   1.344  -0.900
  559   1HD   ARG  75          2HD       ARG  75  17.256   0.300  -3.151
  560   2HD   ARG  75          1HD       ARG  75  17.123   1.925  -3.822
  561    HE   ARG  75           HE       ARG  75  19.512   1.776  -2.378
  562   1HH1  ARG  75          1HH1      ARG  75  18.069   0.440  -5.255
  563   2HH1  ARG  75          2HH1      ARG  75  19.581   0.228  -6.072
  564   1HH2  ARG  75          1HH2      ARG  75  21.510   1.502  -3.450
  565   2HH2  ARG  75          2HH2      ARG  75  21.536   0.831  -5.046
  566    H    ILE  76           H        ILE  76  13.259   3.553  -1.251
  567    HA   ILE  76           HA       ILE  76  14.646   6.026  -1.150
  568    HB   ILE  76           HB       ILE  76  11.677   5.620  -1.491
  569   1HG1  ILE  76          2HG1      ILE  76  12.914   4.163  -3.042
  570   2HG1  ILE  76          1HG1      ILE  76  12.114   5.475  -3.902
  571   1HG2  ILE  76          1HG2      ILE  76  13.583   7.856  -1.987
  572   2HG2  ILE  76          2HG2      ILE  76  11.956   7.890  -1.306
  573   3HG2  ILE  76          3HG2      ILE  76  12.181   7.677  -3.043
  574   1HD1  ILE  76          1HD1      ILE  76  14.840   4.732  -3.952
  575   2HD1  ILE  76          2HD1      ILE  76  14.730   6.337  -3.230
  576   3HD1  ILE  76          3HD1      ILE  76  14.039   6.039  -4.825
  577    H    GLU  77           H        GLU  77  11.728   4.855   0.588
  578    HA   GLU  77           HA       GLU  77  11.545   7.024   2.333
  579   1HB   GLU  77          2HB       GLU  77  10.219   5.562   3.804
  580   2HB   GLU  77          1HB       GLU  77   9.710   5.461   2.129
  581   1HG   GLU  77          2HG       GLU  77   9.638   3.277   2.903
  582   2HG   GLU  77          1HG       GLU  77  11.135   3.361   1.986
  583    H    LEU  78           H        LEU  78  13.675   4.297   2.345
  584    HA   LEU  78           HA       LEU  78  14.489   4.374   5.044
  585   1HB   LEU  78          2HB       LEU  78  14.977   2.568   3.321
  586   2HB   LEU  78          1HB       LEU  78  16.215   3.626   2.681
  587    HG   LEU  78           HG       LEU  78  16.214   2.640   5.533
  588   1HD1  LEU  78          1HD1      LEU  78  17.889   1.005   4.800
  589   2HD1  LEU  78          2HD1      LEU  78  17.616   1.488   3.125
  590   3HD1  LEU  78          3HD1      LEU  78  16.321   0.724   4.046
  591   1HD2  LEU  78          1HD2      LEU  78  17.876   4.442   3.971
  592   2HD2  LEU  78          2HD2      LEU  78  18.799   3.118   4.684
  593   3HD2  LEU  78          3HD2      LEU  78  17.829   4.171   5.714
  594    H    GLN  79           H        GLN  79  15.470   6.115   2.160
  595    HA   GLN  79           HA       GLN  79  17.196   7.828   3.826
  596   1HB   GLN  79          2HB       GLN  79  18.441   8.352   1.767
  597   2HB   GLN  79          1HB       GLN  79  18.476   6.632   2.138
  598   1HG   GLN  79          2HG       GLN  79  16.748   6.222   0.475
  599   2HG   GLN  79          1HG       GLN  79  16.670   7.948   0.120
  600   1HE2  GLN  79          1HE2      GLN  79  17.735   8.540  -1.613
  601   2HE2  GLN  79          2HE2      GLN  79  19.134   7.768  -2.269
  602    H    GLN  80           H        GLN  80  14.207   7.928   3.010
  603    HA   GLN  80           HA       GLN  80  14.285  10.718   2.068
  604   1HB   GLN  80          2HB       GLN  80  13.407   9.144   0.325
  605   2HB   GLN  80          1HB       GLN  80  12.100   8.721   1.423
  606   1HG   GLN  80          2HG       GLN  80  11.333  10.333  -0.189
  607   2HG   GLN  80          1HG       GLN  80  11.355  11.061   1.417
  608   1HE2  GLN  80          1HE2      GLN  80  12.090  11.560  -1.741
  609   2HE2  GLN  80          2HE2      GLN  80  13.267  12.814  -1.575
  610    H    GLY  81           H        GLY  81  13.193   8.489   4.422
  611   1HA   GLY  81          2HA       GLY  81  10.978  10.049   5.384
  612   2HA   GLY  81          1HA       GLY  81  11.697   8.658   6.177
  613    H    ARG  82           H        ARG  82  13.431  11.572   5.211
  614    HA   ARG  82           HA       ARG  82  14.587  13.132   6.383
  615   1HB   ARG  82          2HB       ARG  82  12.381  13.776   7.219
  616   2HB   ARG  82          1HB       ARG  82  12.503  12.578   8.501
  617   1HG   ARG  82          2HG       ARG  82  14.433  13.779   9.424
  618   2HG   ARG  82          1HG       ARG  82  14.263  14.996   8.160
  619   1HD   ARG  82          2HD       ARG  82  12.029  15.544   8.983
  620   2HD   ARG  82          1HD       ARG  82  12.184  14.315  10.237
  621    HE   ARG  82           HE       ARG  82  14.337  16.104  10.439
  622   1HH1  ARG  82          1HH1      ARG  82  10.891  15.994  10.941
  623   2HH1  ARG  82          2HH1      ARG  82  10.902  17.217  12.167
  624   1HH2  ARG  82          1HH2      ARG  82  14.360  17.712  12.051
  625   2HH2  ARG  82          2HH2      ARG  82  12.872  18.195  12.798
  626    H    VAL  83           H        VAL  83  13.637  11.348   9.281
  627    HA   VAL  83           HA       VAL  83  16.102  11.300  10.489
  628    HB   VAL  83           HB       VAL  83  13.991   9.147  10.713
  629   1HG1  VAL  83          1HG1      VAL  83  16.562   9.417  11.919
  630   2HG1  VAL  83          2HG1      VAL  83  15.351   8.158  12.160
  631   3HG1  VAL  83          3HG1      VAL  83  15.322   9.612  13.160
  632   1HG2  VAL  83          1HG2      VAL  83  14.283  11.417  12.629
  633   2HG2  VAL  83          2HG2      VAL  83  12.867  10.433  12.259
  634   3HG2  VAL  83          3HG2      VAL  83  13.408  11.663  11.117
  635    H    ARG  84           H        ARG  84  14.955   9.346   7.891
  636    HA   ARG  84           HA       ARG  84  15.777   7.550   6.761
  637   1HB   ARG  84          2HB       ARG  84  18.031   7.847   5.925
  638   2HB   ARG  84          1HB       ARG  84  17.188   9.388   5.958
  639   1HG   ARG  84          2HG       ARG  84  18.368   9.972   8.032
  640   2HG   ARG  84          1HG       ARG  84  19.235   8.437   7.952
  641   1HD   ARG  84          2HD       ARG  84  20.191   9.096   5.795
  642   2HD   ARG  84          1HD       ARG  84  19.329  10.632   5.882
  643    HE   ARG  84           HE       ARG  84  21.809  10.058   7.062
  644   1HH1  ARG  84          1HH1      ARG  84  18.788  11.624   7.828
  645   2HH1  ARG  84          2HH1      ARG  84  19.498  12.711   8.973
  646   1HH2  ARG  84          1HH2      ARG  84  22.747  11.493   8.561
  647   2HH2  ARG  84          2HH2      ARG  84  21.747  12.638   9.388
  648    H    LYS  85           H        LYS  85  18.232   6.231   6.802
  649    HA   LYS  85           HA       LYS  85  19.249   4.448   7.783
  650   1HB   LYS  85          2HB       LYS  85  20.145   6.150   9.307
  651   2HB   LYS  85          1HB       LYS  85  18.717   6.009  10.320
  652   1HG   LYS  85          2HG       LYS  85  19.304   3.686  10.820
  653   2HG   LYS  85          1HG       LYS  85  20.748   3.842   9.818
  654   1HD   LYS  85          2HD       LYS  85  21.590   5.596  11.290
  655   2HD   LYS  85          1HD       LYS  85  20.133   5.481  12.278
  656   1HE   LYS  85          2HE       LYS  85  20.691   3.168  12.833
  657   2HE   LYS  85          1HE       LYS  85  22.142   3.272  11.836
  658   1HZ   LYS  85          1HZ       LYS  85  22.883   5.106  13.317
  659   2HZ   LYS  85          2HZ       LYS  85  22.763   3.608  14.093
  660   3HZ   LYS  85          3HZ       LYS  85  21.565   4.778  14.328
  661    H    ALA  86           H        ALA  86  17.111   5.140  10.500
  662    HA   ALA  86           HA       ALA  86  15.413   2.868   9.796
  663   1HB   ALA  86          1HB       ALA  86  16.844   1.732  11.233
  664   2HB   ALA  86          2HB       ALA  86  15.532   2.232  12.302
  665   3HB   ALA  86          3HB       ALA  86  17.051   3.129  12.292
  666    H    GLU  87           H        GLU  87  14.418   5.182   9.315
  667    HA   GLU  87           HA       GLU  87  13.472   7.023  10.945
  668   1HB   GLU  87          2HB       GLU  87  11.298   6.999   9.715
  669   2HB   GLU  87          1HB       GLU  87  12.715   6.959   8.678
  670   1HG   GLU  87          2HG       GLU  87  12.431   4.563   8.363
  671   2HG   GLU  87          1HG       GLU  87  11.022   4.586   9.424
  672    H    ARG  88           H        ARG  88  12.890   6.934  12.994
  673    HA   ARG  88           HA       ARG  88  10.774   5.047  13.774
  674   1HB   ARG  88          2HB       ARG  88  12.949   4.220  14.593
  675   2HB   ARG  88          1HB       ARG  88  13.207   5.748  15.426
  676   1HG   ARG  88          2HG       ARG  88  11.253   5.312  16.830
  677   2HG   ARG  88          1HG       ARG  88  11.004   3.776  15.999
  678   1HD   ARG  88          2HD       ARG  88  13.410   4.563  17.639
  679   2HD   ARG  88          1HD       ARG  88  12.154   3.416  18.105
  680    HE   ARG  88           HE       ARG  88  13.265   2.566  15.685
  681   1HH1  ARG  88          1HH1      ARG  88  14.170   2.942  19.030
  682   2HH1  ARG  88          2HH1      ARG  88  15.339   1.664  18.990
  683   1HH2  ARG  88          1HH2      ARG  88  14.803   0.883  15.624
  684   2HH2  ARG  88          2HH2      ARG  88  15.699   0.494  17.055
  685    H    TRP  89           H        TRP  89   9.130   6.493  13.856
  686    HA   TRP  89           HA       TRP  89   8.971   8.233  16.104
  687   1HB   TRP  89          2HB       TRP  89  10.339   9.611  14.509
  688   2HB   TRP  89          1HB       TRP  89   8.978   9.577  13.392
  689    HD1  TRP  89           HD       TRP  89   7.801  11.834  13.450
  690    HE1  TRP  89           1HE      TRP  89   7.126  13.529  15.264
  691    HE3  TRP  89           3HE      TRP  89   9.801   9.495  17.536
  692    HZ2  TRP  89           2HZ      TRP  89   7.408  13.838  18.056
  693    HZ3  TRP  89           3HZ      TRP  89   9.557  10.560  19.741
  694    HH2  TRP  89           HH       TRP  89   8.384  12.686  19.993
  695    H    GLY  90           H        GLY  90   6.832   9.460  16.072
  696   1HA   GLY  90          2HA       GLY  90   4.713   7.720  15.645
  697   2HA   GLY  90          1HA       GLY  90   4.547   9.460  15.830
  698    HA   PRO  91           HA       PRO  91   3.054   9.761  11.689
  699   1HB   PRO  91          2HB       PRO  91   4.225  12.120  10.883
  700   2HB   PRO  91          1HB       PRO  91   2.771  12.024  11.884
  701   1HG   PRO  91          2HG       PRO  91   5.615  12.471  12.700
  702   2HG   PRO  91          1HG       PRO  91   4.139  13.248  13.304
  703   1HD   PRO  91          2HD       PRO  91   5.368  11.301  14.683
  704   2HD   PRO  91          1HD       PRO  91   3.598  11.448  14.661
  705    H    ARG  92           H        ARG  92   4.097   8.037  10.675
  706    HA   ARG  92           HA       ARG  92   6.813   8.024   9.912
  707   1HB   ARG  92          2HB       ARG  92   4.490   6.498   8.723
  708   2HB   ARG  92          1HB       ARG  92   6.190   6.132   8.463
  709   1HG   ARG  92          2HG       ARG  92   6.464   5.651  10.833
  710   2HG   ARG  92          1HG       ARG  92   4.768   6.043  11.114
  711   1HD   ARG  92          2HD       ARG  92   4.115   4.219   9.598
  712   2HD   ARG  92          1HD       ARG  92   5.816   3.816   9.370
  713    HE   ARG  92           HE       ARG  92   4.180   2.987  11.504
  714   1HH1  ARG  92          1HH1      ARG  92   7.411   4.136  10.862
  715   2HH1  ARG  92          2HH1      ARG  92   8.099   3.353  12.245
  716   1HH2  ARG  92          1HH2      ARG  92   5.081   1.959  13.326
  717   2HH2  ARG  92          2HH2      ARG  92   6.775   2.117  13.644
  718    H    THR  93           H        THR  93   6.889   7.365   7.213
  719    HA   THR  93           HA       THR  93   5.832   9.750   5.867
  720    HB   THR  93           HB       THR  93   7.999  10.025   4.704
  721    HG1  THR  93           1HG      THR  93   8.533   7.700   5.985
  722   1HG2  THR  93          1HG2      THR  93   7.908  11.533   6.432
  723   2HG2  THR  93          2HG2      THR  93   9.380  10.640   6.807
  724   3HG2  THR  93          3HG2      THR  93   7.886  10.278   7.670
  725    H    LEU  94           H        LEU  94   6.896   6.418   5.698
  726    HA   LEU  94           HA       LEU  94   5.314   6.066   3.310
  727   1HB   LEU  94          2HB       LEU  94   7.652   6.936   2.677
  728   2HB   LEU  94          1HB       LEU  94   8.218   5.345   3.137
  729    HG   LEU  94           HG       LEU  94   6.113   5.785   1.026
  730   1HD1  LEU  94          1HD1      LEU  94   8.685   4.990   0.021
  731   2HD1  LEU  94          2HD1      LEU  94   8.811   6.515   0.896
  732   3HD1  LEU  94          3HD1      LEU  94   7.676   6.359  -0.443
  733   1HD2  LEU  94          1HD2      LEU  94   7.753   3.441   1.940
  734   2HD2  LEU  94          2HD2      LEU  94   7.047   3.504   0.324
  735   3HD2  LEU  94          3HD2      LEU  94   6.004   3.560   1.745
  736    H    ASP  95           H        ASP  95   4.591   4.042   3.061
  737    HA   ASP  95           HA       ASP  95   5.865   1.763   4.296
  738   1HB   ASP  95          2HB       ASP  95   3.131   2.687   5.219
  739   2HB   ASP  95          1HB       ASP  95   3.834   1.116   5.590
  740    H    LEU  96           H        LEU  96   5.845   0.438   2.564
  741    HA   LEU  96           HA       LEU  96   3.298   0.202   1.105
  742   1HB   LEU  96          2HB       LEU  96   4.424  -0.021  -0.964
  743   2HB   LEU  96          1HB       LEU  96   5.067   1.397  -0.167
  744    HG   LEU  96           HG       LEU  96   6.927   0.393  -1.134
  745   1HD1  LEU  96          1HD1      LEU  96   7.595   0.972   1.019
  746   2HD1  LEU  96          2HD1      LEU  96   8.216  -0.661   0.778
  747   3HD1  LEU  96          3HD1      LEU  96   6.764  -0.403   1.746
  748   1HD2  LEU  96          1HD2      LEU  96   5.437  -2.027  -0.815
  749   2HD2  LEU  96          2HD2      LEU  96   7.083  -2.248  -0.221
  750   3HD2  LEU  96          3HD2      LEU  96   6.808  -1.687  -1.870
  751    H    ASP  97           H        ASP  97   2.515  -1.729   0.622
  752    HA   ASP  97           HA       ASP  97   4.106  -4.140   0.863
  753   1HB   ASP  97          2HB       ASP  97   2.436  -5.210   2.399
  754   2HB   ASP  97          1HB       ASP  97   3.379  -3.930   3.154
  755    H    ILE  98           H        ILE  98   3.498  -5.590  -0.645
  756    HA   ILE  98           HA       ILE  98   1.170  -4.906  -2.255
  757    HB   ILE  98           HB       ILE  98   3.378  -6.891  -2.751
  758   1HG1  ILE  98          2HG1      ILE  98   3.964  -5.302  -4.585
  759   2HG1  ILE  98          1HG1      ILE  98   2.760  -4.193  -3.943
  760   1HG2  ILE  98          1HG2      ILE  98   2.102  -6.425  -5.147
  761   2HG2  ILE  98          2HG2      ILE  98   0.785  -6.606  -3.987
  762   3HG2  ILE  98          3HG2      ILE  98   1.989  -7.884  -4.164
  763   1HD1  ILE  98          1HD1      ILE  98   5.354  -4.090  -3.319
  764   2HD1  ILE  98          2HD1      ILE  98   4.785  -5.156  -2.036
  765   3HD1  ILE  98          3HD1      ILE  98   4.073  -3.555  -2.233
  766    H    MET  99           H        MET  99  -0.690  -5.951  -2.203
  767    HA   MET  99           HA       MET  99  -0.924  -8.321  -0.521
  768   1HB   MET  99          2HB       MET  99  -3.096  -6.675  -1.824
  769   2HB   MET  99          1HB       MET  99  -3.320  -7.918  -0.607
  770   1HG   MET  99          2HG       MET  99  -1.775  -5.385  -0.134
  771   2HG   MET  99          1HG       MET  99  -3.495  -5.563   0.204
  772   1HE   MET  99          1HE       MET  99   0.119  -6.683   2.462
  773   2HE   MET  99          2HE       MET  99  -0.027  -6.639   0.706
  774   3HE   MET  99          3HE       MET  99  -0.234  -8.163   1.569
  775    H    LEU 100           H        LEU 100  -1.047  -7.361  -3.870
  776    HA   LEU 100           HA       LEU 100  -1.859 -10.135  -4.564
  777   1HB   LEU 100          2HB       LEU 100  -2.525  -7.562  -5.978
  778   2HB   LEU 100          1HB       LEU 100  -2.751  -9.137  -6.703
  779    HG   LEU 100           HG       LEU 100  -4.849  -8.323  -5.875
  780   1HD1  LEU 100          1HD1      LEU 100  -3.653 -10.594  -4.331
  781   2HD1  LEU 100          2HD1      LEU 100  -4.723 -10.651  -5.731
  782   3HD1  LEU 100          3HD1      LEU 100  -5.348 -10.139  -4.163
  783   1HD2  LEU 100          1HD2      LEU 100  -4.271  -8.414  -3.034
  784   2HD2  LEU 100          2HD2      LEU 100  -5.143  -7.207  -3.977
  785   3HD2  LEU 100          3HD2      LEU 100  -3.385  -7.141  -3.871
  786    H    PHE 101           H        PHE 101  -0.647 -11.270  -6.052
  787    HA   PHE 101           HA       PHE 101   1.419  -9.733  -7.491
  788   1HB   PHE 101          2HB       PHE 101   2.461 -10.943  -5.588
  789   2HB   PHE 101          1HB       PHE 101   1.869 -12.459  -6.260
  790    HD1  PHE 101           1HD      PHE 101   3.595 -13.696  -7.124
  791    HD2  PHE 101           2HD      PHE 101   3.576  -9.483  -7.727
  792    HE1  PHE 101           1HE      PHE 101   5.636 -13.885  -8.485
  793    HE2  PHE 101           2HE      PHE 101   5.616  -9.666  -9.091
  794    HZ   PHE 101           HZ       PHE 101   6.646 -11.878  -9.473
  795    H    GLY 102           H        GLY 102  -0.398  -9.860  -9.064
  796   1HA   GLY 102          2HA       GLY 102  -0.825 -10.563 -11.239
  797   2HA   GLY 102          1HA       GLY 102   0.122 -12.007 -10.930
  798    H    ASN 103           H        ASN 103  -1.337 -12.669  -8.523
  799    HA   ASN 103           HA       ASN 103  -3.559 -13.281  -7.842
  800   1HB   ASN 103          2HB       ASN 103  -3.967 -13.521 -10.807
  801   2HB   ASN 103          1HB       ASN 103  -4.940 -14.496  -9.713
  802   1HD2  ASN 103          1HD2      ASN 103  -4.474 -12.079  -7.789
  803   2HD2  ASN 103          2HD2      ASN 103  -5.756 -11.018  -8.236
  804    H    GLU 104           H        GLU 104  -0.908 -14.280  -8.239
  805    HA   GLU 104           HA       GLU 104  -1.300 -17.164  -8.545
  806   1HB   GLU 104          2HB       GLU 104   0.516 -15.782  -9.754
  807   2HB   GLU 104          1HB       GLU 104   1.302 -15.682  -8.189
  808   1HG   GLU 104          2HG       GLU 104   0.660 -18.203  -9.704
  809   2HG   GLU 104          1HG       GLU 104   2.242 -17.446  -9.549
  810    H    VAL 105           H        VAL 105  -1.117 -18.480  -6.748
  811    HA   VAL 105           HA       VAL 105  -1.117 -17.175  -4.194
  812    HB   VAL 105           HB       VAL 105  -1.045 -20.151  -4.762
  813   1HG1  VAL 105          1HG1      VAL 105  -1.244 -20.523  -2.562
  814   2HG1  VAL 105          2HG1      VAL 105  -2.354 -19.174  -2.335
  815   3HG1  VAL 105          3HG1      VAL 105  -0.615 -18.884  -2.385
  816   1HG2  VAL 105          1HG2      VAL 105  -3.541 -19.923  -4.223
  817   2HG2  VAL 105          2HG2      VAL 105  -2.994 -19.400  -5.816
  818   3HG2  VAL 105          3HG2      VAL 105  -3.322 -18.205  -4.559
  819    H    ILE 106           H        ILE 106   0.794 -16.297  -3.751
  820    HA   ILE 106           HA       ILE 106   3.022 -18.125  -3.284
  821    HB   ILE 106           HB       ILE 106   3.420 -17.225  -5.474
  822   1HG1  ILE 106          2HG1      ILE 106   5.174 -15.750  -3.508
  823   2HG1  ILE 106          1HG1      ILE 106   5.386 -17.433  -3.999
  824   1HG2  ILE 106          1HG2      ILE 106   3.345 -14.978  -6.073
  825   2HG2  ILE 106          2HG2      ILE 106   3.394 -14.434  -4.395
  826   3HG2  ILE 106          3HG2      ILE 106   1.938 -15.198  -5.034
  827   1HD1  ILE 106          1HD1      ILE 106   6.610 -16.735  -5.698
  828   2HD1  ILE 106          2HD1      ILE 106   6.266 -15.050  -5.298
  829   3HD1  ILE 106          3HD1      ILE 106   5.172 -15.950  -6.358
  830    H    ASN 107           H        ASN 107   3.258 -17.967  -1.160
  831    HA   ASN 107           HA       ASN 107   3.421 -15.267   0.003
  832   1HB   ASN 107          2HB       ASN 107   2.502 -17.628   1.607
  833   2HB   ASN 107          1HB       ASN 107   2.208 -15.911   1.882
  834   1HD2  ASN 107          1HD2      ASN 107   0.379 -15.091   1.240
  835   2HD2  ASN 107          2HD2      ASN 107  -0.771 -15.857   0.217
  836    H    THR 108           H        THR 108   5.116 -14.821   1.252
  837    HA   THR 108           HA       THR 108   6.745 -16.940   2.396
  838    HB   THR 108           HB       THR 108   8.838 -16.103   1.446
  839    HG1  THR 108           1HG      THR 108   8.830 -14.186   0.647
  840   1HG2  THR 108          1HG2      THR 108   8.473 -16.618  -0.987
  841   2HG2  THR 108          2HG2      THR 108   6.767 -16.837  -0.594
  842   3HG2  THR 108          3HG2      THR 108   7.983 -17.871   0.154
  843    H    GLU 109           H        GLU 109   5.010 -14.751   3.294
  844    HA   GLU 109           HA       GLU 109   4.920 -13.360   5.088
  845   1HB   GLU 109          2HB       GLU 109   6.601 -14.817   6.149
  846   2HB   GLU 109          1HB       GLU 109   7.883 -13.899   5.371
  847   1HG   GLU 109          2HG       GLU 109   7.632 -13.249   7.690
  848   2HG   GLU 109          1HG       GLU 109   7.232 -11.910   6.617
  849    H    ARG 110           H        ARG 110   7.118 -12.861   2.494
  850    HA   ARG 110           HA       ARG 110   7.345 -10.006   3.098
  851   1HB   ARG 110          2HB       ARG 110   9.387 -11.277   2.404
  852   2HB   ARG 110          1HB       ARG 110   8.627 -11.558   0.845
  853   1HG   ARG 110          2HG       ARG 110  10.123  -9.753   0.560
  854   2HG   ARG 110          1HG       ARG 110   8.497  -9.069   0.565
  855   1HD   ARG 110          2HD       ARG 110  10.318  -9.151   2.966
  856   2HD   ARG 110          1HD       ARG 110  10.162  -7.768   1.886
  857    HE   ARG 110           HE       ARG 110   7.610  -8.462   2.795
  858   1HH1  ARG 110          1HH1      ARG 110  10.605  -7.184   4.035
  859   2HH1  ARG 110          2HH1      ARG 110   9.844  -6.288   5.308
  860   1HH2  ARG 110          1HH2      ARG 110   6.601  -7.283   4.464
  861   2HH2  ARG 110          2HH2      ARG 110   7.570  -6.345   5.552
  862    H    LEU 111           H        LEU 111   5.477 -12.176   1.338
  863    HA   LEU 111           HA       LEU 111   3.914 -10.071   0.235
  864   1HB   LEU 111          2HB       LEU 111   4.224 -10.410  -2.070
  865   2HB   LEU 111          1HB       LEU 111   5.826 -10.239  -1.391
  866    HG   LEU 111           HG       LEU 111   4.577 -12.911  -2.033
  867   1HD1  LEU 111          1HD1      LEU 111   5.466 -10.958  -3.838
  868   2HD1  LEU 111          2HD1      LEU 111   5.082 -12.646  -4.171
  869   3HD1  LEU 111          3HD1      LEU 111   6.734 -12.181  -3.763
  870   1HD2  LEU 111          1HD2      LEU 111   7.333 -12.008  -1.241
  871   2HD2  LEU 111          2HD2      LEU 111   7.026 -13.565  -2.009
  872   3HD2  LEU 111          3HD2      LEU 111   6.298 -13.194  -0.447
  873    H    THR 112           H        THR 112   1.936 -10.752   0.516
  874    HA   THR 112           HA       THR 112   1.346 -13.607   0.103
  875    HB   THR 112           HB       THR 112   1.100 -13.121   2.435
  876    HG1  THR 112           1HG      THR 112  -0.956 -13.828   0.923
  877   1HG2  THR 112          1HG2      THR 112  -0.262 -11.400   3.358
  878   2HG2  THR 112          2HG2      THR 112  -0.789 -10.885   1.756
  879   3HG2  THR 112          3HG2      THR 112   0.890 -10.658   2.248
  880    H    VAL 113           H        VAL 113   0.426 -13.747  -1.863
  881    HA   VAL 113           HA       VAL 113  -1.025 -11.659  -3.091
  882    HB   VAL 113           HB       VAL 113  -0.946 -14.608  -3.737
  883   1HG1  VAL 113          1HG1      VAL 113  -2.992 -13.370  -4.576
  884   2HG1  VAL 113          2HG1      VAL 113  -1.989 -14.124  -5.814
  885   3HG1  VAL 113          3HG1      VAL 113  -1.892 -12.385  -5.537
  886   1HG2  VAL 113          1HG2      VAL 113   1.177 -13.859  -4.124
  887   2HG2  VAL 113          2HG2      VAL 113   0.648 -12.221  -4.505
  888   3HG2  VAL 113          3HG2      VAL 113   0.423 -13.515  -5.681
  889    HA   PRO 114           HA       PRO 114  -4.997 -14.279  -1.803
  890   1HB   PRO 114          2HB       PRO 114  -3.729 -15.541   0.598
  891   2HB   PRO 114          1HB       PRO 114  -4.996 -16.171  -0.462
  892   1HG   PRO 114          2HG       PRO 114  -2.565 -17.127  -0.717
  893   2HG   PRO 114          1HG       PRO 114  -3.482 -16.684  -2.180
  894   1HD   PRO 114          2HD       PRO 114  -1.321 -15.139  -0.771
  895   2HD   PRO 114          1HD       PRO 114  -1.532 -15.450  -2.508
  896    H    HIS 115           H        HIS 115  -2.524 -12.698  -0.181
  897    HA   HIS 115           HA       HIS 115  -2.305 -11.171   1.453
  898   1HB   HIS 115          2HB       HIS 115  -3.887  -9.235   1.121
  899   2HB   HIS 115          1HB       HIS 115  -3.020  -9.796  -0.298
  900    HD1  HIS 115           1HD      HIS 115  -6.367 -10.832   1.210
  901    HD2  HIS 115           2HD      HIS 115  -4.681  -9.639  -2.385
  902    HE1  HIS 115           1HE      HIS 115  -8.236 -10.914  -0.464
  903    HE2  HIS 115           2HE      HIS 115  -7.167 -10.285  -2.654
  904    H    TYR 116           H        TYR 116  -2.450 -11.081   3.484
  905    HA   TYR 116           HA       TYR 116  -4.994 -11.716   4.822
  906   1HB   TYR 116          2HB       TYR 116  -3.188 -13.353   5.261
  907   2HB   TYR 116          1HB       TYR 116  -2.165 -12.053   5.861
  908    HD1  TYR 116           1HD      TYR 116  -1.874 -12.308   8.134
  909    HD2  TYR 116           2HD      TYR 116  -5.746 -12.943   6.490
  910    HE1  TYR 116           1HE      TYR 116  -2.772 -12.646  10.397
  911    HE2  TYR 116           2HE      TYR 116  -6.655 -13.282   8.750
  912    HH   TYR 116           HH       TYR 116  -4.699 -13.767  11.465
  913    H    ASP 117           H        ASP 117  -5.553 -10.449   6.654
  914    HA   ASP 117           HA       ASP 117  -5.587  -8.649   8.066
  915   1HB   ASP 117          2HB       ASP 117  -3.029  -7.778   6.703
  916   2HB   ASP 117          1HB       ASP 117  -3.759  -6.992   8.098
  917    H    MET 118           H        MET 118  -5.287  -8.472   4.664
  918    HA   MET 118           HA       MET 118  -6.024  -5.801   4.199
  919   1HB   MET 118          2HB       MET 118  -6.877  -6.732   1.995
  920   2HB   MET 118          1HB       MET 118  -5.184  -7.065   2.352
  921   1HG   MET 118          2HG       MET 118  -5.969  -9.082   1.558
  922   2HG   MET 118          1HG       MET 118  -6.067  -9.292   3.304
  923   1HE   MET 118          1HE       MET 118  -7.291 -11.207   3.068
  924   2HE   MET 118          2HE       MET 118  -8.312 -11.440   1.648
  925   3HE   MET 118          3HE       MET 118  -9.048 -11.189   3.231
  926    H    LYS 119           H        LYS 119  -7.878  -8.727   4.758
  927    HA   LYS 119           HA       LYS 119 -10.465  -7.650   4.319
  928   1HB   LYS 119          2HB       LYS 119 -11.199  -9.689   5.599
  929   2HB   LYS 119          1HB       LYS 119 -10.152 -10.024   4.224
  930   1HG   LYS 119          2HG       LYS 119  -8.234 -10.199   5.762
  931   2HG   LYS 119          1HG       LYS 119  -9.329  -9.946   7.121
  932   1HD   LYS 119          2HD       LYS 119  -9.578 -12.202   5.136
  933   2HD   LYS 119          1HD       LYS 119  -8.762 -12.338   6.694
  934   1HE   LYS 119          2HE       LYS 119 -11.663 -11.640   6.254
  935   2HE   LYS 119          1HE       LYS 119 -11.040 -13.188   6.827
  936   1HZ   LYS 119          1HZ       LYS 119 -11.685 -12.075   8.747
  937   2HZ   LYS 119          2HZ       LYS 119 -11.072 -10.587   8.226
  938   3HZ   LYS 119          3HZ       LYS 119 -10.013 -11.819   8.698
  939    H    ASN 120           H        ASN 120  -8.213  -7.273   6.788
  940    HA   ASN 120           HA       ASN 120 -10.162  -6.717   8.860
  941   1HB   ASN 120          2HB       ASN 120  -8.170  -7.908   9.510
  942   2HB   ASN 120          1HB       ASN 120  -7.141  -6.667   8.810
  943   1HD2  ASN 120          1HD2      ASN 120  -6.127  -5.687  10.366
  944   2HD2  ASN 120          2HD2      ASN 120  -6.819  -5.114  11.844
  945    H    ARG 121           H        ARG 121  -9.304  -5.031   6.247
  946    HA   ARG 121           HA       ARG 121 -10.055  -2.545   7.420
  947   1HB   ARG 121          2HB       ARG 121  -7.990  -1.293   6.904
  948   2HB   ARG 121          1HB       ARG 121  -7.771  -2.497   8.164
  949   1HG   ARG 121          2HG       ARG 121  -6.679  -3.986   6.616
  950   2HG   ARG 121          1HG       ARG 121  -7.001  -2.880   5.279
  951   1HD   ARG 121          2HD       ARG 121  -4.695  -2.681   6.066
  952   2HD   ARG 121          1HD       ARG 121  -5.594  -1.187   6.322
  953    HE   ARG 121           HE       ARG 121  -5.130  -1.402   8.537
  954   1HH1  ARG 121          1HH1      ARG 121  -5.052  -4.580   7.107
  955   2HH1  ARG 121          2HH1      ARG 121  -4.619  -5.373   8.583
  956   1HH2  ARG 121          1HH2      ARG 121  -4.559  -2.437  10.483
  957   2HH2  ARG 121          2HH2      ARG 121  -4.337  -4.155  10.503
  958    H    GLY 122           H        GLY 122 -11.209  -1.493   6.004
  959   1HA   GLY 122          2HA       GLY 122 -11.325  -2.140   3.198
  960   2HA   GLY 122          1HA       GLY 122 -12.126  -0.797   4.017
  961    H    PHE 123           H        PHE 123  -9.282  -0.233   5.098
  962    HA   PHE 123           HA       PHE 123  -8.713   1.943   3.474
  963   1HB   PHE 123          2HB       PHE 123  -6.774   0.413   5.215
  964   2HB   PHE 123          1HB       PHE 123  -6.568   2.058   4.630
  965    HD1  PHE 123           1HD      PHE 123  -6.976   3.726   6.133
  966    HD2  PHE 123           2HD      PHE 123  -9.122   0.074   6.520
  967    HE1  PHE 123           1HE      PHE 123  -8.067   4.584   8.164
  968    HE2  PHE 123           2HE      PHE 123 -10.221   0.928   8.546
  969    HZ   PHE 123           HZ       PHE 123  -9.694   3.187   9.372
  970    H    MET 124           H        MET 124  -7.862  -1.402   3.110
  971    HA   MET 124           HA       MET 124  -6.047  -0.707   0.897
  972   1HB   MET 124          2HB       MET 124  -6.283  -3.317   2.404
  973   2HB   MET 124          1HB       MET 124  -5.111  -2.952   1.145
  974   1HG   MET 124          2HG       MET 124  -5.304  -1.560   3.807
  975   2HG   MET 124          1HG       MET 124  -4.147  -2.822   3.391
  976   1HE   MET 124          1HE       MET 124  -2.194   0.616   3.689
  977   2HE   MET 124          2HE       MET 124  -1.895  -1.100   3.966
  978   3HE   MET 124          3HE       MET 124  -3.314  -0.325   4.673
  979    H    LEU 125           H        LEU 125  -8.740  -2.811   1.811
  980    HA   LEU 125           HA       LEU 125  -9.006  -4.042  -0.719
  981   1HB   LEU 125          2HB       LEU 125 -10.966  -3.769   1.539
  982   2HB   LEU 125          1HB       LEU 125 -11.147  -4.849   0.174
  983    HG   LEU 125           HG       LEU 125  -8.971  -4.988   2.258
  984   1HD1  LEU 125          1HD1      LEU 125 -10.369  -6.217   3.452
  985   2HD1  LEU 125          2HD1      LEU 125 -10.557  -7.331   2.098
  986   3HD1  LEU 125          3HD1      LEU 125 -11.637  -5.946   2.259
  987   1HD2  LEU 125          1HD2      LEU 125  -8.089  -5.750   0.173
  988   2HD2  LEU 125          2HD2      LEU 125  -9.542  -6.696  -0.154
  989   3HD2  LEU 125          3HD2      LEU 125  -8.461  -7.165   1.156
  990    H    TRP 126           H        TRP 126 -10.466  -1.221   0.723
  991    HA   TRP 126           HA       TRP 126 -12.488  -0.818  -1.198
  992   1HB   TRP 126          2HB       TRP 126 -12.697   0.202   0.950
  993   2HB   TRP 126          1HB       TRP 126 -11.159   1.047   0.767
  994    HD1  TRP 126           HD       TRP 126 -14.599   0.967  -0.929
  995    HE1  TRP 126           1HE      TRP 126 -15.187   3.366  -1.675
  996    HE3  TRP 126           3HE      TRP 126 -10.278   3.217   0.395
  997    HZ2  TRP 126           2HZ      TRP 126 -13.933   5.906  -1.667
  998    HZ3  TRP 126           3HZ      TRP 126 -10.021   5.642   0.016
  999    HH2  TRP 126           HH       TRP 126 -11.812   6.950  -1.000
 1000    HA   PRO 127           HA       PRO 127  -9.464   2.545  -3.089
 1001   1HB   PRO 127          2HB       PRO 127  -6.806   1.899  -2.785
 1002   2HB   PRO 127          1HB       PRO 127  -7.681   3.041  -1.755
 1003   1HG   PRO 127          2HG       PRO 127  -7.116   0.133  -1.280
 1004   2HG   PRO 127          1HG       PRO 127  -6.917   1.502  -0.167
 1005   1HD   PRO 127          2HD       PRO 127  -9.052  -0.055   0.026
 1006   2HD   PRO 127          1HD       PRO 127  -9.225   1.709   0.176
 1007    H    LEU 128           H        LEU 128  -8.349  -0.798  -2.797
 1008    HA   LEU 128           HA       LEU 128  -7.607  -0.968  -5.578
 1009   1HB   LEU 128          2HB       LEU 128  -6.539  -2.357  -3.789
 1010   2HB   LEU 128          1HB       LEU 128  -8.058  -3.207  -3.595
 1011    HG   LEU 128           HG       LEU 128  -7.940  -4.032  -5.892
 1012   1HD1  LEU 128          1HD1      LEU 128  -5.551  -2.255  -5.999
 1013   2HD1  LEU 128          2HD1      LEU 128  -6.827  -2.508  -7.191
 1014   3HD1  LEU 128          3HD1      LEU 128  -5.575  -3.730  -6.968
 1015   1HD2  LEU 128          1HD2      LEU 128  -5.384  -5.020  -5.363
 1016   2HD2  LEU 128          2HD2      LEU 128  -6.929  -5.753  -4.932
 1017   3HD2  LEU 128          3HD2      LEU 128  -6.103  -4.698  -3.786
 1018    H    PHE 129           H        PHE 129 -10.515  -1.273  -3.731
 1019    HA   PHE 129           HA       PHE 129 -11.907  -3.135  -5.317
 1020   1HB   PHE 129          2HB       PHE 129 -12.784  -2.254  -3.165
 1021   2HB   PHE 129          1HB       PHE 129 -13.075  -0.699  -3.943
 1022    HD1  PHE 129           1HD      PHE 129 -15.027  -0.314  -5.211
 1023    HD2  PHE 129           2HD      PHE 129 -14.032  -4.270  -3.973
 1024    HE1  PHE 129           1HE      PHE 129 -17.265  -1.094  -5.887
 1025    HE2  PHE 129           2HE      PHE 129 -16.257  -5.053  -4.669
 1026    HZ   PHE 129           HZ       PHE 129 -17.851  -3.462  -5.708
 1027    H    GLU 130           H        GLU 130 -11.383   0.327  -5.657
 1028    HA   GLU 130           HA       GLU 130 -13.011   0.624  -7.987
 1029   1HB   GLU 130          2HB       GLU 130 -12.438   2.520  -6.511
 1030   2HB   GLU 130          1HB       GLU 130 -10.751   2.368  -6.979
 1031   1HG   GLU 130          2HG       GLU 130 -11.746   4.174  -8.195
 1032   2HG   GLU 130          1HG       GLU 130 -11.382   2.859  -9.311
 1033    H    ILE 131           H        ILE 131  -9.488   0.482  -7.469
 1034    HA   ILE 131           HA       ILE 131  -8.579   0.595 -10.063
 1035    HB   ILE 131           HB       ILE 131  -7.531  -1.148  -7.826
 1036   1HG1  ILE 131          2HG1      ILE 131  -7.622   1.214  -7.214
 1037   2HG1  ILE 131          1HG1      ILE 131  -5.952   0.700  -7.431
 1038   1HG2  ILE 131          1HG2      ILE 131  -6.081  -1.966  -9.284
 1039   2HG2  ILE 131          2HG2      ILE 131  -5.434  -0.339  -9.501
 1040   3HG2  ILE 131          3HG2      ILE 131  -6.714  -0.929 -10.562
 1041   1HD1  ILE 131          1HD1      ILE 131  -5.872   1.770  -9.593
 1042   2HD1  ILE 131          2HD1      ILE 131  -6.399   2.923  -8.368
 1043   3HD1  ILE 131          3HD1      ILE 131  -7.575   2.207  -9.469
 1044    H    ALA 132           H        ALA 132  -9.357  -2.346  -8.245
 1045    HA   ALA 132           HA       ALA 132 -10.476  -3.648 -10.551
 1046   1HB   ALA 132          1HB       ALA 132  -8.910  -5.633 -10.306
 1047   2HB   ALA 132          2HB       ALA 132  -7.850  -4.556  -9.397
 1048   3HB   ALA 132          3HB       ALA 132  -8.239  -4.196 -11.079
 1049    HA   PRO 133           HA       PRO 133 -12.649  -5.019  -6.841
 1050   1HB   PRO 133          2HB       PRO 133 -14.582  -6.137  -8.736
 1051   2HB   PRO 133          1HB       PRO 133 -14.804  -4.864  -7.532
 1052   1HG   PRO 133          2HG       PRO 133 -14.798  -4.355 -10.182
 1053   2HG   PRO 133          1HG       PRO 133 -14.184  -3.194  -8.991
 1054   1HD   PRO 133          2HD       PRO 133 -12.663  -5.090 -10.747
 1055   2HD   PRO 133          1HD       PRO 133 -12.312  -3.395 -10.357
 1056    H    GLU 134           H        GLU 134 -12.976  -7.167  -9.682
 1057    HA   GLU 134           HA       GLU 134 -12.817  -9.516  -8.044
 1058   1HB   GLU 134          2HB       GLU 134 -12.742  -9.242 -11.055
 1059   2HB   GLU 134          1HB       GLU 134 -12.976 -10.741 -10.167
 1060   1HG   GLU 134          2HG       GLU 134 -15.064  -9.877  -9.248
 1061   2HG   GLU 134          1HG       GLU 134 -14.827  -8.369 -10.132
 1062    H    LEU 135           H        LEU 135 -10.595  -8.384  -7.337
 1063    HA   LEU 135           HA       LEU 135  -8.470  -9.647  -8.932
 1064   1HB   LEU 135          2HB       LEU 135  -8.312  -7.220  -8.887
 1065   2HB   LEU 135          1HB       LEU 135  -8.331  -7.229  -7.135
 1066    HG   LEU 135           HG       LEU 135  -6.162  -8.227  -7.033
 1067   1HD1  LEU 135          1HD1      LEU 135  -6.279  -8.450 -10.038
 1068   2HD1  LEU 135          2HD1      LEU 135  -6.457  -9.791  -8.903
 1069   3HD1  LEU 135          3HD1      LEU 135  -4.928  -8.915  -9.003
 1070   1HD2  LEU 135          1HD2      LEU 135  -5.430  -6.141  -7.284
 1071   2HD2  LEU 135          2HD2      LEU 135  -6.670  -5.787  -8.488
 1072   3HD2  LEU 135          3HD2      LEU 135  -5.144  -6.522  -8.983
 1073    H    VAL 136           H        VAL 136 -10.032  -9.623  -5.870
 1074    HA   VAL 136           HA       VAL 136  -7.856 -10.584  -4.311
 1075    HB   VAL 136           HB       VAL 136 -10.812 -10.469  -3.910
 1076   1HG1  VAL 136          1HG1      VAL 136 -10.343 -12.632  -2.989
 1077   2HG1  VAL 136          2HG1      VAL 136 -10.480 -11.495  -1.648
 1078   3HG1  VAL 136          3HG1      VAL 136  -8.890 -12.032  -2.190
 1079   1HG2  VAL 136          1HG2      VAL 136  -9.479  -8.517  -3.443
 1080   2HG2  VAL 136          2HG2      VAL 136  -8.433  -9.453  -2.379
 1081   3HG2  VAL 136          3HG2      VAL 136 -10.118  -9.180  -1.941
 1082    H    PHE 137           H        PHE 137  -9.745 -11.991  -6.717
 1083    HA   PHE 137           HA       PHE 137 -10.420 -14.413  -6.573
 1084   1HB   PHE 137          2HB       PHE 137  -9.697 -13.570  -8.702
 1085   2HB   PHE 137          1HB       PHE 137  -8.012 -13.681  -8.217
 1086    HD1  PHE 137           1HD      PHE 137  -6.933 -15.289  -9.444
 1087    HD2  PHE 137           2HD      PHE 137 -10.881 -16.066  -8.057
 1088    HE1  PHE 137           1HE      PHE 137  -6.811 -17.562 -10.380
 1089    HE2  PHE 137           2HE      PHE 137 -10.764 -18.341  -8.988
 1090    HZ   PHE 137           HZ       PHE 137  -8.728 -19.092 -10.152
 1091    HA   PRO 138           HA       PRO 138  -5.880 -16.450  -5.517
 1092   1HB   PRO 138          2HB       PRO 138  -5.140 -14.498  -3.496
 1093   2HB   PRO 138          1HB       PRO 138  -4.198 -15.079  -4.871
 1094   1HG   PRO 138          2HG       PRO 138  -5.844 -12.652  -4.622
 1095   2HG   PRO 138          1HG       PRO 138  -4.520 -13.004  -5.747
 1096   1HD   PRO 138          2HD       PRO 138  -7.058 -12.876  -6.592
 1097   2HD   PRO 138          1HD       PRO 138  -5.921 -14.078  -7.250
 1098    H    ASP 139           H        ASP 139  -7.427 -14.282  -3.180
 1099    HA   ASP 139           HA       ASP 139  -7.666 -16.352  -1.200
 1100   1HB   ASP 139          2HB       ASP 139  -7.189 -14.007  -0.572
 1101   2HB   ASP 139          1HB       ASP 139  -8.766 -13.532  -1.194
 1102    H    GLY 140           H        GLY 140  -9.974 -14.458  -3.231
 1103   1HA   GLY 140          2HA       GLY 140 -11.708 -16.673  -3.461
 1104   2HA   GLY 140          1HA       GLY 140 -12.284 -15.648  -2.168
 1105    H    GLU 141           H        GLU 141 -11.769 -13.069  -3.427
 1106    HA   GLU 141           HA       GLU 141 -12.971 -13.090  -6.019
 1107   1HB   GLU 141          2HB       GLU 141 -15.076 -11.880  -5.249
 1108   2HB   GLU 141          1HB       GLU 141 -15.005 -13.622  -5.025
 1109   1HG   GLU 141          2HG       GLU 141 -14.183 -13.017  -2.632
 1110   2HG   GLU 141          1HG       GLU 141 -14.861 -11.437  -2.994
 1111    H    MET 142           H        MET 142 -14.160 -10.574  -3.983
 1112    HA   MET 142           HA       MET 142 -12.324  -8.736  -5.277
 1113   1HB   MET 142          2HB       MET 142 -14.953  -8.232  -3.885
 1114   2HB   MET 142          1HB       MET 142 -13.950  -6.990  -4.626
 1115   1HG   MET 142          2HG       MET 142 -14.238  -7.991  -6.789
 1116   2HG   MET 142          1HG       MET 142 -15.124  -9.322  -6.070
 1117   1HE   MET 142          1HE       MET 142 -16.282  -7.543  -8.557
 1118   2HE   MET 142          2HE       MET 142 -17.962  -7.514  -8.024
 1119   3HE   MET 142          3HE       MET 142 -17.003  -8.983  -7.837
 1120    H    LEU 143           H        LEU 143 -11.989  -6.740  -3.978
 1121    HA   LEU 143           HA       LEU 143 -10.550  -7.480  -1.600
 1122   1HB   LEU 143          2HB       LEU 143 -10.996  -4.838  -2.984
 1123   2HB   LEU 143          1HB       LEU 143  -9.995  -5.036  -1.567
 1124    HG   LEU 143           HG       LEU 143  -8.721  -4.824  -3.632
 1125   1HD1  LEU 143          1HD1      LEU 143  -8.490  -7.008  -1.731
 1126   2HD1  LEU 143          2HD1      LEU 143  -7.270  -5.878  -2.319
 1127   3HD1  LEU 143          3HD1      LEU 143  -7.658  -7.322  -3.254
 1128   1HD2  LEU 143          1HD2      LEU 143 -10.606  -6.439  -4.769
 1129   2HD2  LEU 143          2HD2      LEU 143  -9.236  -7.535  -4.581
 1130   3HD2  LEU 143          3HD2      LEU 143  -9.046  -6.031  -5.482
 1131    H    ARG 144           H        ARG 144 -12.746  -4.888  -2.320
 1132    HA   ARG 144           HA       ARG 144 -13.292  -4.209   0.299
 1133   1HB   ARG 144          2HB       ARG 144 -13.459  -2.553  -1.346
 1134   2HB   ARG 144          1HB       ARG 144 -14.607  -3.489  -2.277
 1135   1HG   ARG 144          2HG       ARG 144 -16.294  -3.182  -0.572
 1136   2HG   ARG 144          1HG       ARG 144 -15.146  -2.324   0.448
 1137   1HD   ARG 144          2HD       ARG 144 -14.958  -0.564  -1.229
 1138   2HD   ARG 144          1HD       ARG 144 -16.061  -1.437  -2.291
 1139    HE   ARG 144           HE       ARG 144 -16.791   0.308  -0.213
 1140   1HH1  ARG 144          1HH1      ARG 144 -17.686  -2.777  -1.570
 1141   2HH1  ARG 144          2HH1      ARG 144 -19.335  -2.670  -1.052
 1142   1HH2  ARG 144          1HH2      ARG 144 -18.960   0.455   0.473
 1143   2HH2  ARG 144          2HH2      ARG 144 -20.059  -0.834   0.109
 1144    H    GLN 145           H        GLN 145 -15.346  -6.161  -1.914
 1145    HA   GLN 145           HA       GLN 145 -17.586  -6.180  -0.304
 1146   1HB   GLN 145          2HB       GLN 145 -18.361  -7.745  -1.716
 1147   2HB   GLN 145          1HB       GLN 145 -16.844  -7.549  -2.572
 1148   1HG   GLN 145          2HG       GLN 145 -17.482  -9.634  -0.508
 1149   2HG   GLN 145          1HG       GLN 145 -17.348  -9.877  -2.246
 1150   1HE2  GLN 145          1HE2      GLN 145 -15.088  -7.716  -1.778
 1151   2HE2  GLN 145          2HE2      GLN 145 -13.751  -8.680  -1.329
 1152    H    ILE 146           H        ILE 146 -14.466  -7.602   0.242
 1153    HA   ILE 146           HA       ILE 146 -15.258  -9.318   2.421
 1154    HB   ILE 146           HB       ILE 146 -12.483  -8.219   2.052
 1155   1HG1  ILE 146          2HG1      ILE 146 -13.616 -10.629   0.621
 1156   2HG1  ILE 146          1HG1      ILE 146 -13.274  -9.078  -0.137
 1157   1HG2  ILE 146          1HG2      ILE 146 -13.240  -9.603   4.058
 1158   2HG2  ILE 146          2HG2      ILE 146 -11.777 -10.119   3.219
 1159   3HG2  ILE 146          3HG2      ILE 146 -13.299 -10.965   2.940
 1160   1HD1  ILE 146          1HD1      ILE 146 -11.515 -10.750  -0.520
 1161   2HD1  ILE 146          2HD1      ILE 146 -11.217 -10.797   1.218
 1162   3HD1  ILE 146          3HD1      ILE 146 -10.934  -9.309   0.314
 1163    H    LEU 147           H        LEU 147 -13.724  -6.126   2.063
 1164    HA   LEU 147           HA       LEU 147 -13.450  -5.646   4.871
 1165   1HB   LEU 147          2HB       LEU 147 -12.704  -3.502   4.277
 1166   2HB   LEU 147          1HB       LEU 147 -12.207  -4.513   2.933
 1167    HG   LEU 147           HG       LEU 147 -14.432  -3.737   1.831
 1168   1HD1  LEU 147          1HD1      LEU 147 -14.540  -2.303   4.267
 1169   2HD1  LEU 147          2HD1      LEU 147 -15.660  -2.238   2.905
 1170   3HD1  LEU 147          3HD1      LEU 147 -14.280  -1.142   2.967
 1171   1HD2  LEU 147          1HD2      LEU 147 -13.022  -1.369   1.596
 1172   2HD2  LEU 147          2HD2      LEU 147 -12.883  -2.796   0.575
 1173   3HD2  LEU 147          3HD2      LEU 147 -11.804  -2.589   1.949
 1174    H    HIS 148           H        HIS 148 -15.920  -5.281   2.567
 1175    HA   HIS 148           HA       HIS 148 -17.516  -3.363   3.871
 1176   1HB   HIS 148          2HB       HIS 148 -17.693  -3.779   1.491
 1177   2HB   HIS 148          1HB       HIS 148 -18.142  -5.463   1.766
 1178    HD1  HIS 148           1HD      HIS 148 -20.265  -4.623   0.240
 1179    HD2  HIS 148           2HD      HIS 148 -20.042  -3.161   4.125
 1180    HE1  HIS 148           1HE      HIS 148 -22.561  -3.734   0.752
 1181    HE2  HIS 148           2HE      HIS 148 -22.377  -2.762   3.071
 1182    H    THR 149           H        THR 149 -17.249  -6.837   3.948
 1183    HA   THR 149           HA       THR 149 -19.507  -7.014   5.806
 1184    HB   THR 149           HB       THR 149 -19.436  -9.398   5.427
 1185    HG1  THR 149           1HG      THR 149 -17.114  -8.917   3.869
 1186   1HG2  THR 149          1HG2      THR 149 -18.954  -8.915   2.657
 1187   2HG2  THR 149          2HG2      THR 149 -19.859  -7.566   3.343
 1188   3HG2  THR 149          3HG2      THR 149 -20.481  -9.210   3.491
 1189    H    ARG 150           H        ARG 150 -16.023  -7.160   5.752
 1190    HA   ARG 150           HA       ARG 150 -16.096  -8.146   8.531
 1191   1HB   ARG 150          2HB       ARG 150 -13.957  -8.486   6.441
 1192   2HB   ARG 150          1HB       ARG 150 -13.761  -8.931   8.132
 1193   1HG   ARG 150          2HG       ARG 150 -15.614 -10.505   7.941
 1194   2HG   ARG 150          1HG       ARG 150 -15.825 -10.054   6.248
 1195   1HD   ARG 150          2HD       ARG 150 -13.644 -10.907   5.700
 1196   2HD   ARG 150          1HD       ARG 150 -13.295 -11.218   7.399
 1197    HE   ARG 150           HE       ARG 150 -14.653 -12.939   5.630
 1198   1HH1  ARG 150          1HH1      ARG 150 -14.772 -11.790   8.920
 1199   2HH1  ARG 150          2HH1      ARG 150 -15.548 -13.214   9.524
 1200   1HH2  ARG 150          1HH2      ARG 150 -15.678 -14.815   6.420
 1201   2HH2  ARG 150          2HH2      ARG 150 -16.063 -14.932   8.104
 1202    H    ALA 151           H        ALA 151 -14.980  -5.525   6.531
 1203    HA   ALA 151           HA       ALA 151 -13.372  -4.530   8.779
 1204   1HB   ALA 151          1HB       ALA 151 -12.264  -4.720   6.581
 1205   2HB   ALA 151          2HB       ALA 151 -12.253  -3.081   7.234
 1206   3HB   ALA 151          3HB       ALA 151 -13.381  -3.512   5.948
 1207    H    PHE 152           H        PHE 152 -14.491  -2.274   6.396
 1208    HA   PHE 152           HA       PHE 152 -16.230  -1.068   8.444
 1209   1HB   PHE 152          2HB       PHE 152 -14.220   0.234   8.137
 1210   2HB   PHE 152          1HB       PHE 152 -14.433   0.235   6.392
 1211    HD1  PHE 152           1HD      PHE 152 -14.865   2.332   5.646
 1212    HD2  PHE 152           2HD      PHE 152 -16.715   1.022   9.247
 1213    HE1  PHE 152           1HE      PHE 152 -16.098   4.460   5.783
 1214    HE2  PHE 152           2HE      PHE 152 -17.953   3.145   9.391
 1215    HZ   PHE 152           HZ       PHE 152 -17.644   4.866   7.657
 1216    H    ASP 153           H        ASP 153 -15.916   0.243   5.246
 1217    HA   ASP 153           HA       ASP 153 -18.063  -1.097   4.004
 1218   1HB   ASP 153          2HB       ASP 153 -19.420   0.039   5.700
 1219   2HB   ASP 153          1HB       ASP 153 -18.736   1.591   5.227
 1220    H    LYS 154           H        LYS 154 -16.793   2.232   4.291
 1221    HA   LYS 154           HA       LYS 154 -15.445   2.154   1.818
 1222   1HB   LYS 154          2HB       LYS 154 -17.731   2.102   0.923
 1223   2HB   LYS 154          1HB       LYS 154 -18.109   3.584   1.787
 1224   1HG   LYS 154          2HG       LYS 154 -15.812   3.622  -0.083
 1225   2HG   LYS 154          1HG       LYS 154 -17.432   3.569  -0.767
 1226   1HD   LYS 154          2HD       LYS 154 -16.452   5.601   1.235
 1227   2HD   LYS 154          1HD       LYS 154 -16.572   5.870  -0.505
 1228   1HE   LYS 154          2HE       LYS 154 -18.990   5.472  -0.391
 1229   2HE   LYS 154          1HE       LYS 154 -18.864   5.218   1.350
 1230   1HZ   LYS 154          1HZ       LYS 154 -17.765   7.580   1.230
 1231   2HZ   LYS 154          2HZ       LYS 154 -19.444   7.402   1.295
 1232   3HZ   LYS 154          3HZ       LYS 154 -18.683   7.703  -0.186
 1233    H    LEU 155           H        LEU 155 -13.775   3.346   2.441
 1234    HA   LEU 155           HA       LEU 155 -13.982   5.562   4.250
 1235   1HB   LEU 155          2HB       LEU 155 -11.685   4.597   2.551
 1236   2HB   LEU 155          1HB       LEU 155 -11.567   5.838   3.782
 1237    HG   LEU 155           HG       LEU 155 -12.206   2.914   4.242
 1238   1HD1  LEU 155          1HD1      LEU 155  -9.808   3.881   3.732
 1239   2HD1  LEU 155          2HD1      LEU 155 -10.069   2.655   4.973
 1240   3HD1  LEU 155          3HD1      LEU 155  -9.895   4.348   5.431
 1241   1HD2  LEU 155          1HD2      LEU 155 -12.041   3.552   6.654
 1242   2HD2  LEU 155          2HD2      LEU 155 -13.464   4.190   5.830
 1243   3HD2  LEU 155          3HD2      LEU 155 -12.086   5.242   6.157
 1244    H    ASN 156           H        ASN 156 -12.423   7.554   3.382
 1245    HA   ASN 156           HA       ASN 156 -13.756   8.484   0.922
 1246   1HB   ASN 156          2HB       ASN 156 -12.908  10.068   3.356
 1247   2HB   ASN 156          1HB       ASN 156 -13.485  10.791   1.860
 1248   1HD2  ASN 156          1HD2      ASN 156 -15.200   8.063   2.016
 1249   2HD2  ASN 156          2HD2      ASN 156 -16.577   8.606   2.901
 1250    H    LYS 157           H        LYS 157 -12.512   9.227  -0.699
 1251    HA   LYS 157           HA       LYS 157  -9.709   8.774  -0.601
 1252   1HB   LYS 157          2HB       LYS 157 -11.367  10.208  -2.689
 1253   2HB   LYS 157          1HB       LYS 157  -9.693   9.698  -2.889
 1254   1HG   LYS 157          2HG       LYS 157 -10.363   7.372  -2.589
 1255   2HG   LYS 157          1HG       LYS 157 -12.038   7.880  -2.391
 1256   1HD   LYS 157          2HD       LYS 157 -12.051   8.751  -4.669
 1257   2HD   LYS 157          1HD       LYS 157 -10.361   8.273  -4.866
 1258   1HE   LYS 157          2HE       LYS 157 -11.003   5.925  -4.454
 1259   2HE   LYS 157          1HE       LYS 157 -12.691   6.423  -4.335
 1260   1HZ   LYS 157          1HZ       LYS 157 -11.319   5.717  -6.624
 1261   2HZ   LYS 157          2HZ       LYS 157 -11.539   7.390  -6.738
 1262   3HZ   LYS 157          3HZ       LYS 157 -12.875   6.374  -6.530
 1263    H    TRP 158           H        TRP 158  -8.994  10.029   1.102
 1264    HA   TRP 158           HA       TRP 158  -8.268  11.866   2.220
 1265   1HB   TRP 158          2HB       TRP 158  -6.630  11.718   0.384
 1266   2HB   TRP 158          1HB       TRP 158  -7.646  12.762  -0.605
 1267    HD1  TRP 158           HD       TRP 158  -6.386  13.184   3.050
 1268    HE1  TRP 158           1HE      TRP 158  -5.297  15.508   3.243
 1269    HE3  TRP 158           3HE      TRP 158  -6.903  14.729  -1.798
 1270    HZ2  TRP 158           2HZ      TRP 158  -4.732  17.704   1.565
 1271    HZ3  TRP 158           3HZ      TRP 158  -6.061  16.956  -2.420
 1272    HH2  TRP 158           HH       TRP 158  -4.999  18.411  -0.772
  Start of MODEL    5
    1   1H    THR   1          1HT       THR   1   3.172  -9.987 -15.177
    2   2H    THR   1          2HT       THR   1   4.097 -11.042 -14.231
    3   3H    THR   1          3HT       THR   1   4.187  -9.373 -13.971
    4    HA   THR   1           HA       THR   1   1.573 -10.659 -13.735
    5    HB   THR   1           HB       THR   1   3.739 -10.787 -11.627
    6    HG1  THR   1           1HG      THR   1   2.892 -13.147 -12.010
    7   1HG2  THR   1          1HG2      THR   1   1.621 -10.443 -10.550
    8   2HG2  THR   1          2HG2      THR   1   2.116 -12.124 -10.347
    9   3HG2  THR   1          3HG2      THR   1   0.877 -11.704 -11.531
   10    H    VAL   2           H        VAL   2   0.146  -9.231 -13.004
   11    HA   VAL   2           HA       VAL   2   0.959  -6.528 -12.517
   12    HB   VAL   2           HB       VAL   2  -1.779  -7.771 -12.181
   13   1HG1  VAL   2          1HG1      VAL   2  -0.776  -5.172 -11.579
   14   2HG1  VAL   2          2HG1      VAL   2  -2.423  -5.786 -11.427
   15   3HG1  VAL   2          3HG1      VAL   2  -1.892  -5.048 -12.938
   16   1HG2  VAL   2          1HG2      VAL   2  -0.412  -7.683 -14.505
   17   2HG2  VAL   2          2HG2      VAL   2  -1.186  -6.100 -14.533
   18   3HG2  VAL   2          3HG2      VAL   2  -2.167  -7.558 -14.392
   19    H    ALA   3           H        ALA   3   1.931  -6.072 -10.647
   20    HA   ALA   3           HA       ALA   3   1.259  -7.463  -8.211
   21   1HB   ALA   3          1HB       ALA   3   2.912  -5.523  -7.370
   22   2HB   ALA   3          2HB       ALA   3   3.350  -5.567  -9.079
   23   3HB   ALA   3          3HB       ALA   3   3.475  -7.028  -8.098
   24    H    TYR   4           H        TYR   4  -0.263  -6.883  -6.820
   25    HA   TYR   4           HA       TYR   4  -1.424  -4.196  -7.052
   26   1HB   TYR   4          2HB       TYR   4  -2.469  -6.690  -5.694
   27   2HB   TYR   4          1HB       TYR   4  -3.288  -5.134  -5.682
   28    HD1  TYR   4           1HD      TYR   4  -1.794  -7.467  -8.206
   29    HD2  TYR   4           2HD      TYR   4  -5.013  -4.884  -7.181
   30    HE1  TYR   4           1HE      TYR   4  -2.923  -8.048 -10.311
   31    HE2  TYR   4           2HE      TYR   4  -6.151  -5.460  -9.283
   32    HH   TYR   4           HH       TYR   4  -4.811  -7.871 -11.500
   33    H    ILE   5           H        ILE   5   0.209  -3.115  -6.006
   34    HA   ILE   5           HA       ILE   5   0.694  -3.763  -3.201
   35    HB   ILE   5           HB       ILE   5   2.282  -1.589  -3.724
   36   1HG1  ILE   5          2HG1      ILE   5   2.251  -3.272  -6.241
   37   2HG1  ILE   5          1HG1      ILE   5   1.536  -1.668  -6.102
   38   1HG2  ILE   5          1HG2      ILE   5   4.107  -3.183  -3.844
   39   2HG2  ILE   5          2HG2      ILE   5   2.976  -4.483  -4.215
   40   3HG2  ILE   5          3HG2      ILE   5   2.926  -3.695  -2.638
   41   1HD1  ILE   5          1HD1      ILE   5   3.511  -0.941  -6.826
   42   2HD1  ILE   5          2HD1      ILE   5   4.314  -2.463  -6.435
   43   3HD1  ILE   5          3HD1      ILE   5   4.066  -1.248  -5.180
   44    H    ALA   6           H        ALA   6   0.503  -2.255  -1.569
   45    HA   ALA   6           HA       ALA   6  -1.349  -0.035  -2.129
   46   1HB   ALA   6          1HB       ALA   6  -2.665  -0.698  -0.457
   47   2HB   ALA   6          2HB       ALA   6  -1.298  -0.887   0.640
   48   3HB   ALA   6          3HB       ALA   6  -1.741  -2.201  -0.450
   49    H    ILE   7           H        ILE   7  -0.693   1.952  -1.640
   50    HA   ILE   7           HA       ILE   7   1.911   2.313  -0.390
   51    HB   ILE   7           HB       ILE   7   0.077   4.340  -1.680
   52   1HG1  ILE   7          2HG1      ILE   7   0.875   2.671  -3.280
   53   2HG1  ILE   7          1HG1      ILE   7   1.622   4.235  -3.583
   54   1HG2  ILE   7          1HG2      ILE   7   2.980   4.605  -0.909
   55   2HG2  ILE   7          2HG2      ILE   7   1.627   5.298  -0.016
   56   3HG2  ILE   7          3HG2      ILE   7   1.970   5.842  -1.657
   57   1HD1  ILE   7          1HD1      ILE   7   3.220   2.430  -3.823
   58   2HD1  ILE   7          2HD1      ILE   7   2.903   1.911  -2.167
   59   3HD1  ILE   7          3HD1      ILE   7   3.654   3.477  -2.473
   60    H    GLY   8           H        GLY   8   2.175   2.894   1.681
   61   1HA   GLY   8          2HA       GLY   8  -0.070   4.255   3.038
   62   2HA   GLY   8          1HA       GLY   8   0.762   2.906   3.795
   63    H    SER   9           H        SER   9   0.587   6.218   3.611
   64    HA   SER   9           HA       SER   9   3.217   6.495   4.909
   65   1HB   SER   9          2HB       SER   9   2.042   8.404   2.869
   66   2HB   SER   9          1HB       SER   9   3.533   8.665   3.773
   67    HG   SER   9           HG       SER   9   3.157   7.266   1.517
   68    H    ASN  10           H        ASN  10   3.349   8.224   6.462
   69    HA   ASN  10           HA       ASN  10   1.242   9.979   7.083
   70   1HB   ASN  10          2HB       ASN  10   0.027   7.951   7.723
   71   2HB   ASN  10          1HB       ASN  10   1.338   7.493   8.805
   72   1HD2  ASN  10          1HD2      ASN  10   0.855  10.832   8.769
   73   2HD2  ASN  10          2HD2      ASN  10  -0.089  10.957  10.209
   74    H    LEU  11           H        LEU  11   3.352  11.117   7.098
   75    HA   LEU  11           HA       LEU  11   4.667  10.896   9.731
   76   1HB   LEU  11          2HB       LEU  11   5.967  10.402   7.520
   77   2HB   LEU  11          1HB       LEU  11   5.967  12.145   7.332
   78    HG   LEU  11           HG       LEU  11   7.071  12.301   9.578
   79   1HD1  LEU  11          1HD1      LEU  11   7.908  10.447  10.687
   80   2HD1  LEU  11          2HD1      LEU  11   7.720   9.402   9.280
   81   3HD1  LEU  11          3HD1      LEU  11   6.299   9.930  10.181
   82   1HD2  LEU  11          1HD2      LEU  11   8.188  11.441   7.060
   83   2HD2  LEU  11          2HD2      LEU  11   9.176  10.908   8.422
   84   3HD2  LEU  11          3HD2      LEU  11   8.802  12.620   8.219
   85    H    ALA  12           H        ALA  12   6.121  13.417   9.327
   86    HA   ALA  12           HA       ALA  12   4.188  15.219  10.353
   87   1HB   ALA  12          1HB       ALA  12   6.372  15.648  11.064
   88   2HB   ALA  12          2HB       ALA  12   6.062  16.931   9.894
   89   3HB   ALA  12          3HB       ALA  12   7.027  15.530   9.430
   90    H    SER  13           H        SER  13   5.212  14.317   7.246
   91    HA   SER  13           HA       SER  13   3.240  16.007   5.981
   92   1HB   SER  13          2HB       SER  13   4.827  16.902   4.307
   93   2HB   SER  13          1HB       SER  13   5.226  17.459   5.932
   94    HG   SER  13           HG       SER  13   6.658  15.448   5.860
   95    HA   PRO  14           HA       PRO  14   3.669  11.543   4.618
   96   1HB   PRO  14          2HB       PRO  14   0.933  11.459   4.056
   97   2HB   PRO  14          1HB       PRO  14   1.709  10.866   5.528
   98   1HG   PRO  14          2HG       PRO  14   0.329  13.465   5.022
   99   2HG   PRO  14          1HG       PRO  14   0.328  12.455   6.480
  100   1HD   PRO  14          2HD       PRO  14   1.797  14.680   6.353
  101   2HD   PRO  14          1HD       PRO  14   2.415  13.224   7.164
  102    H    LEU  15           H        LEU  15   2.295  14.424   3.209
  103    HA   LEU  15           HA       LEU  15   1.744  13.426   0.636
  104   1HB   LEU  15          2HB       LEU  15   0.888  15.569   1.420
  105   2HB   LEU  15          1HB       LEU  15   2.516  16.211   1.509
  106    HG   LEU  15           HG       LEU  15   2.725  16.017  -0.938
  107   1HD1  LEU  15          1HD1      LEU  15   0.435  14.365  -0.650
  108   2HD1  LEU  15          2HD1      LEU  15   1.366  14.717  -2.106
  109   3HD1  LEU  15          3HD1      LEU  15  -0.001  15.740  -1.664
  110   1HD2  LEU  15          1HD2      LEU  15   0.204  17.499  -0.725
  111   2HD2  LEU  15          2HD2      LEU  15   1.801  18.039  -1.240
  112   3HD2  LEU  15          3HD2      LEU  15   1.417  17.930   0.478
  113    H    GLU  16           H        GLU  16   4.670  14.831   2.045
  114    HA   GLU  16           HA       GLU  16   6.144  14.751  -0.407
  115   1HB   GLU  16          2HB       GLU  16   7.096  15.067   2.445
  116   2HB   GLU  16          1HB       GLU  16   8.091  15.308   1.015
  117   1HG   GLU  16          2HG       GLU  16   5.626  16.896   1.696
  118   2HG   GLU  16          1HG       GLU  16   7.284  17.411   1.995
  119    H    GLN  17           H        GLN  17   5.927  12.672   2.448
  120    HA   GLN  17           HA       GLN  17   8.044  10.938   1.739
  121   1HB   GLN  17          2HB       GLN  17   5.739   9.836   3.256
  122   2HB   GLN  17          1HB       GLN  17   7.460   9.696   3.567
  123   1HG   GLN  17          2HG       GLN  17   5.862  12.203   4.027
  124   2HG   GLN  17          1HG       GLN  17   6.216  11.004   5.267
  125   1HE2  GLN  17          1HE2      GLN  17   8.876  10.889   3.455
  126   2HE2  GLN  17          2HE2      GLN  17   9.837  12.099   4.225
  127    H    VAL  18           H        VAL  18   4.514  10.473   1.470
  128    HA   VAL  18           HA       VAL  18   4.438   8.085   0.149
  129    HB   VAL  18           HB       VAL  18   2.412   9.311   0.836
  130   1HG1  VAL  18          1HG1      VAL  18   3.155  11.528  -0.063
  131   2HG1  VAL  18          2HG1      VAL  18   1.489  11.095  -0.445
  132   3HG1  VAL  18          3HG1      VAL  18   2.744  10.941  -1.675
  133   1HG2  VAL  18          1HG2      VAL  18   2.196   8.712  -2.096
  134   2HG2  VAL  18          2HG2      VAL  18   1.010   8.435  -0.821
  135   3HG2  VAL  18          3HG2      VAL  18   2.466   7.441  -0.905
  136    H    ASN  19           H        ASN  19   4.873  11.285  -1.364
  137    HA   ASN  19           HA       ASN  19   4.941  10.476  -4.023
  138   1HB   ASN  19          2HB       ASN  19   6.445  12.721  -2.667
  139   2HB   ASN  19          1HB       ASN  19   6.322  12.526  -4.412
  140   1HD2  ASN  19          1HD2      ASN  19   3.481  11.425  -3.216
  141   2HD2  ASN  19          2HD2      ASN  19   2.546  12.873  -3.303
  142    H    ALA  20           H        ALA  20   7.435  10.407  -1.555
  143    HA   ALA  20           HA       ALA  20   9.702   9.939  -3.063
  144   1HB   ALA  20          1HB       ALA  20   9.094   9.917  -0.388
  145   2HB   ALA  20          2HB       ALA  20  10.675   9.571  -1.089
  146   3HB   ALA  20          3HB       ALA  20   9.574   8.250  -0.697
  147    H    ALA  21           H        ALA  21   7.573   7.444  -1.643
  148    HA   ALA  21           HA       ALA  21   8.796   5.286  -3.021
  149   1HB   ALA  21          1HB       ALA  21   7.585   4.360  -1.367
  150   2HB   ALA  21          2HB       ALA  21   6.282   4.366  -2.554
  151   3HB   ALA  21          3HB       ALA  21   6.397   5.663  -1.366
  152    H    LEU  22           H        LEU  22   6.275   7.559  -3.831
  153    HA   LEU  22           HA       LEU  22   5.078   6.225  -5.983
  154   1HB   LEU  22          2HB       LEU  22   5.445   9.164  -5.416
  155   2HB   LEU  22          1HB       LEU  22   4.504   8.567  -6.764
  156    HG   LEU  22           HG       LEU  22   3.918   8.063  -3.848
  157   1HD1  LEU  22          1HD1      LEU  22   1.901   9.426  -5.418
  158   2HD1  LEU  22          2HD1      LEU  22   3.421  10.321  -5.369
  159   3HD1  LEU  22          3HD1      LEU  22   2.616   9.867  -3.868
  160   1HD2  LEU  22          1HD2      LEU  22   3.176   6.160  -5.044
  161   2HD2  LEU  22          2HD2      LEU  22   2.551   7.147  -6.366
  162   3HD2  LEU  22          3HD2      LEU  22   1.753   7.173  -4.793
  163    H    LYS  23           H        LYS  23   8.092   7.919  -5.693
  164    HA   LYS  23           HA       LYS  23   8.538   8.152  -8.529
  165   1HB   LYS  23          2HB       LYS  23  10.465   8.447  -6.214
  166   2HB   LYS  23          1HB       LYS  23  10.800   8.888  -7.883
  167   1HG   LYS  23          2HG       LYS  23   9.020  10.568  -7.791
  168   2HG   LYS  23          1HG       LYS  23   8.708  10.132  -6.110
  169   1HD   LYS  23          2HD       LYS  23  10.090  12.110  -6.183
  170   2HD   LYS  23          1HD       LYS  23  11.033  10.761  -5.551
  171   1HE   LYS  23          2HE       LYS  23  12.339  12.068  -7.140
  172   2HE   LYS  23          1HE       LYS  23  12.049  10.440  -7.751
  173   1HZ   LYS  23          1HZ       LYS  23  11.514  12.806  -9.045
  174   2HZ   LYS  23          2HZ       LYS  23   9.998  12.224  -8.576
  175   3HZ   LYS  23          3HZ       LYS  23  11.017  11.259  -9.518
  176    H    ALA  24           H        ALA  24   9.757   6.118  -5.888
  177    HA   ALA  24           HA       ALA  24  11.475   4.529  -7.433
  178   1HB   ALA  24          1HB       ALA  24  10.164   3.231  -5.134
  179   2HB   ALA  24          2HB       ALA  24  10.968   4.762  -4.782
  180   3HB   ALA  24          3HB       ALA  24  11.878   3.431  -5.500
  181    H    LEU  25           H        LEU  25   8.014   4.267  -6.747
  182    HA   LEU  25           HA       LEU  25   7.806   1.708  -8.073
  183   1HB   LEU  25          2HB       LEU  25   6.229   2.447  -6.227
  184   2HB   LEU  25          1HB       LEU  25   5.548   3.592  -7.379
  185    HG   LEU  25           HG       LEU  25   4.921   1.697  -8.846
  186   1HD1  LEU  25          1HD1      LEU  25   5.485  -0.149  -6.572
  187   2HD1  LEU  25          2HD1      LEU  25   6.760   0.243  -7.724
  188   3HD1  LEU  25          3HD1      LEU  25   5.267  -0.506  -8.284
  189   1HD2  LEU  25          1HD2      LEU  25   3.168   2.467  -7.513
  190   2HD2  LEU  25          2HD2      LEU  25   3.903   1.863  -6.028
  191   3HD2  LEU  25          3HD2      LEU  25   3.205   0.733  -7.190
  192    H    GLY  26           H        GLY  26   7.300   5.098  -8.807
  193   1HA   GLY  26          2HA       GLY  26   5.958   4.892 -11.244
  194   2HA   GLY  26          1HA       GLY  26   7.047   6.203 -10.802
  195    H    ASP  27           H        ASP  27   9.428   4.795 -10.536
  196    HA   ASP  27           HA       ASP  27   9.827   3.624 -13.202
  197   1HB   ASP  27          2HB       ASP  27  10.609   5.963 -13.209
  198   2HB   ASP  27          1HB       ASP  27  11.665   5.611 -11.847
  199    H    ILE  28           H        ILE  28  10.072   1.578 -12.604
  200    HA   ILE  28           HA       ILE  28  12.106   0.898 -10.585
  201    HB   ILE  28           HB       ILE  28  10.004  -0.994 -11.609
  202   1HG1  ILE  28          2HG1      ILE  28   9.766   0.961  -9.311
  203   2HG1  ILE  28          1HG1      ILE  28   8.776   0.925 -10.765
  204   1HG2  ILE  28          1HG2      ILE  28  11.652  -0.886  -9.095
  205   2HG2  ILE  28          2HG2      ILE  28  11.789  -2.044 -10.418
  206   3HG2  ILE  28          3HG2      ILE  28  10.357  -2.048  -9.387
  207   1HD1  ILE  28          1HD1      ILE  28   8.138  -0.195  -8.360
  208   2HD1  ILE  28          2HD1      ILE  28   8.732  -1.576  -9.281
  209   3HD1  ILE  28          3HD1      ILE  28   7.407  -0.600  -9.910
  210    HA   PRO  29           HA       PRO  29  15.055  -0.804 -13.438
  211   1HB   PRO  29          2HB       PRO  29  14.227  -3.323 -12.019
  212   2HB   PRO  29          1HB       PRO  29  15.831  -2.820 -12.547
  213   1HG   PRO  29          2HG       PRO  29  15.026  -2.474 -10.014
  214   2HG   PRO  29          1HG       PRO  29  16.083  -1.305 -10.825
  215   1HD   PRO  29          2HD       PRO  29  13.297  -1.007  -9.991
  216   2HD   PRO  29          1HD       PRO  29  14.453   0.237 -10.506
  217    H    GLU  30           H        GLU  30  12.042  -2.679 -12.945
  218    HA   GLU  30           HA       GLU  30  11.899  -3.036 -15.860
  219   1HB   GLU  30          2HB       GLU  30  11.354  -5.218 -13.842
  220   2HB   GLU  30          1HB       GLU  30  11.165  -5.353 -15.584
  221   1HG   GLU  30          2HG       GLU  30  13.762  -4.845 -14.151
  222   2HG   GLU  30          1HG       GLU  30  13.220  -6.408 -14.761
  223    H    SER  31           H        SER  31  10.153  -3.282 -12.782
  224    HA   SER  31           HA       SER  31   7.561  -3.528 -13.722
  225   1HB   SER  31          2HB       SER  31   8.407  -1.932 -11.298
  226   2HB   SER  31          1HB       SER  31   6.844  -2.704 -11.565
  227    HG   SER  31           HG       SER  31   8.337  -3.902 -10.211
  228    H    HIS  32           H        HIS  32   5.796  -1.886 -13.660
  229    HA   HIS  32           HA       HIS  32   6.489   0.878 -14.029
  230   1HB   HIS  32          2HB       HIS  32   7.102   0.021 -16.231
  231   2HB   HIS  32          1HB       HIS  32   5.505  -0.684 -16.428
  232    HD1  HIS  32           1HD      HIS  32   5.844   0.943 -18.663
  233    HD2  HIS  32           2HD      HIS  32   5.018   2.775 -15.027
  234    HE1  HIS  32           1HE      HIS  32   5.001   3.239 -19.243
  235    HE2  HIS  32           2HE      HIS  32   4.418   4.293 -17.033
  236    H    ILE  33           H        ILE  33   4.888   2.057 -13.309
  237    HA   ILE  33           HA       ILE  33   2.603   1.176 -12.147
  238    HB   ILE  33           HB       ILE  33   3.289   3.802 -13.390
  239   1HG1  ILE  33          2HG1      ILE  33   4.436   3.273 -11.349
  240   2HG1  ILE  33          1HG1      ILE  33   3.217   4.484 -10.974
  241   1HG2  ILE  33          1HG2      ILE  33   0.694   3.114 -12.008
  242   2HG2  ILE  33          2HG2      ILE  33   0.900   3.688 -13.664
  243   3HG2  ILE  33          3HG2      ILE  33   1.259   4.758 -12.309
  244   1HD1  ILE  33          1HD1      ILE  33   2.894   3.071  -9.239
  245   2HD1  ILE  33          2HD1      ILE  33   3.390   1.648 -10.157
  246   3HD1  ILE  33          3HD1      ILE  33   1.788   2.343 -10.404
  247    H    LEU  34           H        LEU  34   0.549   0.704 -12.700
  248    HA   LEU  34           HA       LEU  34  -0.181   0.842 -15.554
  249   1HB   LEU  34          2HB       LEU  34   0.346  -1.464 -14.489
  250   2HB   LEU  34          1HB       LEU  34  -1.190  -1.273 -13.671
  251    HG   LEU  34           HG       LEU  34  -1.402  -2.675 -15.655
  252   1HD1  LEU  34          1HD1      LEU  34  -3.034  -0.551 -14.972
  253   2HD1  LEU  34          2HD1      LEU  34  -3.454  -1.909 -16.016
  254   3HD1  LEU  34          3HD1      LEU  34  -2.850  -0.409 -16.722
  255   1HD2  LEU  34          1HD2      LEU  34   0.475  -1.474 -16.876
  256   2HD2  LEU  34          2HD2      LEU  34  -0.737  -0.278 -17.336
  257   3HD2  LEU  34          3HD2      LEU  34  -0.922  -1.959 -17.837
  258    H    THR  35           H        THR  35  -1.612   0.346 -12.327
  259    HA   THR  35           HA       THR  35  -3.679   2.328 -13.004
  260    HB   THR  35           HB       THR  35  -5.270   0.953 -11.613
  261    HG1  THR  35           1HG      THR  35  -4.334  -1.410 -11.822
  262   1HG2  THR  35          1HG2      THR  35  -4.477  -0.893 -13.767
  263   2HG2  THR  35          2HG2      THR  35  -4.843   0.765 -14.245
  264   3HG2  THR  35          3HG2      THR  35  -6.050  -0.192 -13.385
  265    H    VAL  36           H        VAL  36  -3.166   4.027 -11.772
  266    HA   VAL  36           HA       VAL  36  -2.935   3.623  -8.882
  267    HB   VAL  36           HB       VAL  36  -0.939   5.201 -10.512
  268   1HG1  VAL  36          1HG1      VAL  36  -1.723   5.362  -7.698
  269   2HG1  VAL  36          2HG1      VAL  36  -0.838   6.513  -8.699
  270   3HG1  VAL  36          3HG1      VAL  36   0.009   5.157  -7.954
  271   1HG2  VAL  36          1HG2      VAL  36   0.686   3.631  -9.812
  272   2HG2  VAL  36          2HG2      VAL  36  -0.690   2.692 -10.395
  273   3HG2  VAL  36          3HG2      VAL  36  -0.426   2.887  -8.663
  274    H    SER  37           H        SER  37  -4.461   4.835  -8.001
  275    HA   SER  37           HA       SER  37  -4.594   7.590  -8.091
  276   1HB   SER  37          2HB       SER  37  -6.571   8.031  -9.520
  277   2HB   SER  37          1HB       SER  37  -5.197   7.432 -10.449
  278    HG   SER  37           HG       SER  37  -6.426   5.283  -9.839
  279    H    SER  38           H        SER  38  -4.914   6.826  -5.887
  280    HA   SER  38           HA       SER  38  -7.676   6.906  -5.148
  281   1HB   SER  38          2HB       SER  38  -6.142   4.333  -4.744
  282   2HB   SER  38          1HB       SER  38  -7.674   4.708  -3.960
  283    HG   SER  38           HG       SER  38  -7.187   3.835  -6.487
  284    H    PHE  39           H        PHE  39  -6.405   8.783  -4.204
  285    HA   PHE  39           HA       PHE  39  -4.776   8.132  -1.893
  286   1HB   PHE  39          2HB       PHE  39  -5.661  10.815  -2.974
  287   2HB   PHE  39          1HB       PHE  39  -4.520  10.579  -1.658
  288    HD1  PHE  39           1HD      PHE  39  -4.956   9.207  -5.106
  289    HD2  PHE  39           2HD      PHE  39  -2.337  10.972  -2.252
  290    HE1  PHE  39           1HE      PHE  39  -3.112   9.093  -6.731
  291    HE2  PHE  39           2HE      PHE  39  -0.491  10.866  -3.874
  292    HZ   PHE  39           HZ       PHE  39  -0.870   9.965  -6.111
  293    H    TYR  40           H        TYR  40  -6.471   7.020  -0.702
  294    HA   TYR  40           HA       TYR  40  -8.647   8.678   0.300
  295   1HB   TYR  40          2HB       TYR  40  -8.001   5.762   0.740
  296   2HB   TYR  40          1HB       TYR  40  -9.391   6.586   1.435
  297    HD1  TYR  40           1HD      TYR  40  -7.831   5.552  -1.762
  298    HD2  TYR  40           2HD      TYR  40 -11.358   6.910   0.187
  299    HE1  TYR  40           1HE      TYR  40  -9.140   5.069  -3.790
  300    HE2  TYR  40           2HE      TYR  40 -12.671   6.431  -1.832
  301    HH   TYR  40           HH       TYR  40 -12.311   4.713  -3.892
  302    H    ARG  41           H        ARG  41  -9.176   8.468   2.654
  303    HA   ARG  41           HA       ARG  41  -6.721   8.745   4.269
  304   1HB   ARG  41          2HB       ARG  41  -7.886  10.878   3.984
  305   2HB   ARG  41          1HB       ARG  41  -9.377  10.159   4.585
  306   1HG   ARG  41          2HG       ARG  41  -8.319   9.790   6.761
  307   2HG   ARG  41          1HG       ARG  41  -6.830  10.522   6.158
  308   1HD   ARG  41          2HD       ARG  41  -8.002  12.628   5.795
  309   2HD   ARG  41          1HD       ARG  41  -9.506  11.900   6.356
  310    HE   ARG  41           HE       ARG  41  -7.582  11.586   8.359
  311   1HH1  ARG  41          1HH1      ARG  41  -9.364  14.139   6.791
  312   2HH1  ARG  41          2HH1      ARG  41  -9.346  15.176   8.178
  313   1HH2  ARG  41          1HH2      ARG  41  -7.556  12.944  10.186
  314   2HH2  ARG  41          2HH2      ARG  41  -8.318  14.496  10.107
  315    H    THR  42           H        THR  42  -6.732   7.933   6.391
  316    HA   THR  42           HA       THR  42  -9.068   6.541   7.377
  317    HB   THR  42           HB       THR  42  -7.893   4.911   5.833
  318    HG1  THR  42           1HG      THR  42  -8.905   3.623   7.125
  319   1HG2  THR  42          1HG2      THR  42  -5.861   4.677   8.024
  320   2HG2  THR  42          2HG2      THR  42  -5.568   5.610   6.554
  321   3HG2  THR  42          3HG2      THR  42  -5.883   3.877   6.451
  322    HA   PRO  43           HA       PRO  43  -7.158   7.742  11.191
  323   1HB   PRO  43          2HB       PRO  43  -8.627   6.346  12.941
  324   2HB   PRO  43          1HB       PRO  43  -9.338   7.647  11.976
  325   1HG   PRO  43          2HG       PRO  43  -9.463   4.686  11.548
  326   2HG   PRO  43          1HG       PRO  43 -10.757   5.889  11.411
  327   1HD   PRO  43          2HD       PRO  43  -9.370   4.885   9.269
  328   2HD   PRO  43          1HD       PRO  43 -10.142   6.483   9.285
  329    HA   PRO  44           HA       PRO  44  -4.048   4.819  12.388
  330   1HB   PRO  44          2HB       PRO  44  -3.811   5.343  15.065
  331   2HB   PRO  44          1HB       PRO  44  -3.129   6.371  13.800
  332   1HG   PRO  44          2HG       PRO  44  -5.683   6.691  15.328
  333   2HG   PRO  44          1HG       PRO  44  -4.473   7.917  14.903
  334   1HD   PRO  44          2HD       PRO  44  -6.763   7.665  13.524
  335   2HD   PRO  44          1HD       PRO  44  -5.239   8.093  12.721
  336    H    LEU  45           H        LEU  45  -6.645   5.069  14.790
  337    HA   LEU  45           HA       LEU  45  -7.608   3.532  16.160
  338   1HB   LEU  45          2HB       LEU  45  -8.704   1.696  14.919
  339   2HB   LEU  45          1HB       LEU  45  -8.936   3.274  14.199
  340    HG   LEU  45           HG       LEU  45  -7.011   2.624  12.617
  341   1HD1  LEU  45          1HD1      LEU  45  -7.744  -0.073  13.733
  342   2HD1  LEU  45          2HD1      LEU  45  -6.155   0.693  13.724
  343   3HD1  LEU  45          3HD1      LEU  45  -6.889   0.168  12.209
  344   1HD2  LEU  45          1HD2      LEU  45  -9.840   1.881  12.615
  345   2HD2  LEU  45          2HD2      LEU  45  -8.844   0.952  11.493
  346   3HD2  LEU  45          3HD2      LEU  45  -8.880   2.713  11.391
  347    H    GLY  46           H        GLY  46  -4.629   3.225  15.937
  348   1HA   GLY  46          2HA       GLY  46  -4.393   0.920  17.528
  349   2HA   GLY  46          1HA       GLY  46  -3.962   0.487  15.884
  350    HA   PRO  47           HA       PRO  47   0.258   1.698  16.080
  351   1HB   PRO  47          2HB       PRO  47  -0.486   4.027  14.345
  352   2HB   PRO  47          1HB       PRO  47   0.892   2.926  14.213
  353   1HG   PRO  47          2HG       PRO  47  -1.261   2.625  12.660
  354   2HG   PRO  47          1HG       PRO  47  -0.378   1.226  13.296
  355   1HD   PRO  47          2HD       PRO  47  -3.037   2.276  14.047
  356   2HD   PRO  47          1HD       PRO  47  -2.378   0.639  14.223
  357    H    GLN  48           H        GLN  48  -1.471   4.815  15.790
  358    HA   GLN  48           HA       GLN  48  -0.561   5.533  18.483
  359   1HB   GLN  48          2HB       GLN  48  -0.359   7.554  16.289
  360   2HB   GLN  48          1HB       GLN  48   0.469   7.522  17.838
  361   1HG   GLN  48          2HG       GLN  48   2.182   7.021  16.413
  362   2HG   GLN  48          1HG       GLN  48   1.624   5.404  16.839
  363   1HE2  GLN  48          1HE2      GLN  48  -0.620   6.962  14.898
  364   2HE2  GLN  48          2HE2      GLN  48  -0.168   6.285  13.376
  365    H    ASP  49           H        ASP  49  -1.367   8.275  18.142
  366    HA   ASP  49           HA       ASP  49  -4.283   7.936  17.952
  367   1HB   ASP  49          2HB       ASP  49  -4.454   9.820  19.553
  368   2HB   ASP  49          1HB       ASP  49  -3.595   8.442  20.232
  369    H    GLN  50           H        GLN  50  -1.771   9.005  16.261
  370    HA   GLN  50           HA       GLN  50  -2.742  11.602  15.449
  371   1HB   GLN  50          2HB       GLN  50  -0.541   9.887  14.292
  372   2HB   GLN  50          1HB       GLN  50  -0.849  11.575  13.900
  373   1HG   GLN  50          2HG       GLN  50  -0.300  12.253  16.132
  374   2HG   GLN  50          1HG       GLN  50  -0.148  10.572  16.645
  375   1HE2  GLN  50          1HE2      GLN  50   1.808   9.791  16.706
  376   2HE2  GLN  50          2HE2      GLN  50   3.171  10.384  15.829
  377    HA   PRO  51           HA       PRO  51  -5.185   9.493  12.294
  378   1HB   PRO  51          2HB       PRO  51  -7.188  11.277  12.186
  379   2HB   PRO  51          1HB       PRO  51  -7.034  10.129  13.518
  380   1HG   PRO  51          2HG       PRO  51  -6.510  13.036  13.467
  381   2HG   PRO  51          1HG       PRO  51  -6.955  11.995  14.828
  382   1HD   PRO  51          2HD       PRO  51  -4.349  12.939  14.117
  383   2HD   PRO  51          1HD       PRO  51  -4.784  11.844  15.443
  384    H    ASP  52           H        ASP  52  -3.827   9.746  10.531
  385    HA   ASP  52           HA       ASP  52  -4.581  11.630   8.576
  386   1HB   ASP  52          2HB       ASP  52  -3.204  13.088  10.126
  387   2HB   ASP  52          1HB       ASP  52  -1.811  12.103   9.693
  388    H    TYR  53           H        TYR  53  -4.601   9.063   8.216
  389    HA   TYR  53           HA       TYR  53  -2.035   8.191   7.120
  390   1HB   TYR  53          2HB       TYR  53  -4.628   6.727   7.599
  391   2HB   TYR  53          1HB       TYR  53  -3.259   6.008   6.763
  392    HD1  TYR  53           1HD      TYR  53  -3.673   8.008   9.908
  393    HD2  TYR  53           2HD      TYR  53  -2.139   4.496   8.060
  394    HE1  TYR  53           1HE      TYR  53  -2.733   7.291  12.063
  395    HE2  TYR  53           2HE      TYR  53  -1.195   3.770  10.210
  396    HH   TYR  53           HH       TYR  53  -0.476   4.794  12.345
  397    H    LEU  54           H        LEU  54  -1.648   8.926   5.134
  398    HA   LEU  54           HA       LEU  54  -3.831   9.091   3.193
  399   1HB   LEU  54          2HB       LEU  54  -2.195  10.987   3.525
  400   2HB   LEU  54          1HB       LEU  54  -0.953   9.948   2.861
  401    HG   LEU  54           HG       LEU  54  -1.871  11.602   1.242
  402   1HD1  LEU  54          1HD1      LEU  54  -1.518  10.219  -0.493
  403   2HD1  LEU  54          2HD1      LEU  54  -2.703   9.040   0.065
  404   3HD1  LEU  54          3HD1      LEU  54  -1.087   9.066   0.771
  405   1HD2  LEU  54          1HD2      LEU  54  -4.048  11.856   0.870
  406   2HD2  LEU  54          2HD2      LEU  54  -4.316  10.826   2.276
  407   3HD2  LEU  54          3HD2      LEU  54  -4.289  10.121   0.659
  408    H    ASN  55           H        ASN  55  -4.172   7.464   1.824
  409    HA   ASN  55           HA       ASN  55  -1.903   5.707   1.160
  410   1HB   ASN  55          2HB       ASN  55  -4.754   4.815   1.632
  411   2HB   ASN  55          1HB       ASN  55  -3.386   3.779   1.240
  412   1HD2  ASN  55          1HD2      ASN  55  -5.296   4.752   3.674
  413   2HD2  ASN  55          2HD2      ASN  55  -4.228   4.531   5.014
  414    H    ALA  56           H        ALA  56  -1.827   4.891  -0.913
  415    HA   ALA  56           HA       ALA  56  -3.869   5.844  -2.797
  416   1HB   ALA  56          1HB       ALA  56  -1.024   5.815  -3.666
  417   2HB   ALA  56          2HB       ALA  56  -1.594   7.158  -2.673
  418   3HB   ALA  56          3HB       ALA  56  -2.366   6.815  -4.222
  419    H    ALA  57           H        ALA  57  -4.478   4.405  -4.331
  420    HA   ALA  57           HA       ALA  57  -3.545   1.694  -4.062
  421   1HB   ALA  57          1HB       ALA  57  -5.928   2.280  -4.466
  422   2HB   ALA  57          2HB       ALA  57  -5.277   1.116  -5.620
  423   3HB   ALA  57          3HB       ALA  57  -5.480   2.804  -6.089
  424    H    VAL  58           H        VAL  58  -1.908   0.802  -5.154
  425    HA   VAL  58           HA       VAL  58  -1.204   1.902  -7.770
  426    HB   VAL  58           HB       VAL  58   1.197   1.575  -7.218
  427   1HG1  VAL  58          1HG1      VAL  58   1.458   3.604  -5.968
  428   2HG1  VAL  58          2HG1      VAL  58  -0.177   3.466  -5.320
  429   3HG1  VAL  58          3HG1      VAL  58   0.067   3.777  -7.039
  430   1HG2  VAL  58          1HG2      VAL  58   1.982   1.050  -5.103
  431   2HG2  VAL  58          2HG2      VAL  58   0.588  -0.018  -5.266
  432   3HG2  VAL  58          3HG2      VAL  58   0.456   1.466  -4.323
  433    H    ALA  59           H        ALA  59  -1.603   0.341  -9.150
  434    HA   ALA  59           HA       ALA  59  -0.715  -2.384  -8.482
  435   1HB   ALA  59          1HB       ALA  59  -2.883  -2.965  -8.536
  436   2HB   ALA  59          2HB       ALA  59  -2.743  -2.782 -10.284
  437   3HB   ALA  59          3HB       ALA  59  -3.362  -1.453  -9.306
  438    H    LEU  60           H        LEU  60   1.176  -2.155  -9.549
  439    HA   LEU  60           HA       LEU  60   0.991  -1.582 -12.438
  440   1HB   LEU  60          2HB       LEU  60   3.097  -0.665 -12.417
  441   2HB   LEU  60          1HB       LEU  60   2.461  -0.159 -10.865
  442    HG   LEU  60           HG       LEU  60   4.308  -2.508 -11.281
  443   1HD1  LEU  60          1HD1      LEU  60   5.006   0.119 -10.015
  444   2HD1  LEU  60          2HD1      LEU  60   5.229  -0.178 -11.739
  445   3HD1  LEU  60          3HD1      LEU  60   6.081  -1.169 -10.556
  446   1HD2  LEU  60          1HD2      LEU  60   2.788  -1.476  -8.994
  447   2HD2  LEU  60          2HD2      LEU  60   4.491  -1.798  -8.673
  448   3HD2  LEU  60          3HD2      LEU  60   3.452  -3.083  -9.289
  449    H    GLU  61           H        GLU  61   2.526  -2.690 -13.833
  450    HA   GLU  61           HA       GLU  61   2.529  -5.528 -13.275
  451   1HB   GLU  61          2HB       GLU  61   3.636  -4.100 -15.697
  452   2HB   GLU  61          1HB       GLU  61   3.185  -5.795 -15.572
  453   1HG   GLU  61          2HG       GLU  61   0.842  -5.078 -15.204
  454   2HG   GLU  61          1HG       GLU  61   1.344  -3.421 -15.512
  455    H    THR  62           H        THR  62   4.102  -5.984 -11.751
  456    HA   THR  62           HA       THR  62   6.744  -4.868 -12.047
  457    HB   THR  62           HB       THR  62   7.247  -6.216 -10.008
  458    HG1  THR  62           1HG      THR  62   5.953  -7.850  -9.776
  459   1HG2  THR  62          1HG2      THR  62   6.197  -3.883  -9.929
  460   2HG2  THR  62          2HG2      THR  62   6.147  -4.879  -8.472
  461   3HG2  THR  62          3HG2      THR  62   4.712  -4.725  -9.487
  462    H    SER  63           H        SER  63   8.597  -6.330 -11.832
  463    HA   SER  63           HA       SER  63   8.258  -8.865 -13.303
  464   1HB   SER  63          2HB       SER  63   9.220  -7.162 -14.836
  465   2HB   SER  63          1HB       SER  63  10.511  -6.858 -13.674
  466    HG   SER  63           HG       SER  63  11.324  -8.872 -14.047
  467    H    LEU  64           H        LEU  64   9.522  -6.928 -10.892
  468    HA   LEU  64           HA       LEU  64  11.187  -9.026  -9.727
  469   1HB   LEU  64          2HB       LEU  64  11.852  -7.005  -8.254
  470   2HB   LEU  64          1HB       LEU  64  12.481  -7.092  -9.889
  471    HG   LEU  64           HG       LEU  64   9.922  -5.618  -9.571
  472   1HD1  LEU  64          1HD1      LEU  64  10.716  -3.817  -8.414
  473   2HD1  LEU  64          2HD1      LEU  64  12.390  -4.095  -8.900
  474   3HD1  LEU  64          3HD1      LEU  64  11.666  -5.076  -7.626
  475   1HD2  LEU  64          1HD2      LEU  64  12.408  -4.679 -10.950
  476   2HD2  LEU  64          2HD2      LEU  64  10.717  -4.396 -11.362
  477   3HD2  LEU  64          3HD2      LEU  64  11.443  -5.977 -11.655
  478    H    ALA  65           H        ALA  65   9.760 -10.254  -8.552
  479    HA   ALA  65           HA       ALA  65   7.375  -9.741  -7.470
  480   1HB   ALA  65          1HB       ALA  65   8.114 -11.887  -7.062
  481   2HB   ALA  65          2HB       ALA  65   8.181 -11.183  -5.447
  482   3HB   ALA  65          3HB       ALA  65   9.656 -11.345  -6.401
  483    HA   PRO  66           HA       PRO  66   7.174  -6.310  -4.709
  484   1HB   PRO  66          2HB       PRO  66   6.276  -8.383  -2.747
  485   2HB   PRO  66          1HB       PRO  66   5.621  -6.771  -3.049
  486   1HG   PRO  66          2HG       PRO  66   4.474  -8.964  -4.075
  487   2HG   PRO  66          1HG       PRO  66   4.519  -7.429  -4.951
  488   1HD   PRO  66          2HD       PRO  66   5.962  -9.932  -5.500
  489   2HD   PRO  66          1HD       PRO  66   5.636  -8.564  -6.581
  490    H    GLU  67           H        GLU  67   8.897  -9.223  -3.856
  491    HA   GLU  67           HA       GLU  67  10.143  -8.412  -1.487
  492   1HB   GLU  67          2HB       GLU  67  11.365 -10.093  -3.685
  493   2HB   GLU  67          1HB       GLU  67  11.804 -10.103  -1.982
  494   1HG   GLU  67          2HG       GLU  67   9.667 -11.036  -1.386
  495   2HG   GLU  67          1HG       GLU  67   9.112 -10.913  -3.057
  496    H    GLU  68           H        GLU  68  11.214  -8.078  -4.863
  497    HA   GLU  68           HA       GLU  68  13.468  -6.412  -4.213
  498   1HB   GLU  68          2HB       GLU  68  12.166  -6.739  -6.916
  499   2HB   GLU  68          1HB       GLU  68  13.841  -6.340  -6.578
  500   1HG   GLU  68          2HG       GLU  68  14.116  -8.608  -5.607
  501   2HG   GLU  68          1HG       GLU  68  12.468  -8.966  -6.133
  502    H    LEU  69           H        LEU  69  10.257  -6.106  -5.548
  503    HA   LEU  69           HA       LEU  69  10.254  -3.409  -6.194
  504   1HB   LEU  69          2HB       LEU  69   8.450  -4.412  -7.058
  505   2HB   LEU  69          1HB       LEU  69   8.261  -5.519  -5.724
  506    HG   LEU  69           HG       LEU  69   7.308  -3.549  -4.407
  507   1HD1  LEU  69          1HD1      LEU  69   7.469  -2.342  -7.146
  508   2HD1  LEU  69          2HD1      LEU  69   8.014  -1.675  -5.608
  509   3HD1  LEU  69          3HD1      LEU  69   6.289  -1.800  -5.952
  510   1HD2  LEU  69          1HD2      LEU  69   5.327  -4.441  -4.884
  511   2HD2  LEU  69          2HD2      LEU  69   6.117  -5.352  -6.172
  512   3HD2  LEU  69          3HD2      LEU  69   5.368  -3.796  -6.526
  513    H    LEU  70           H        LEU  70  10.052  -4.997  -3.131
  514    HA   LEU  70           HA       LEU  70   9.094  -2.651  -1.732
  515   1HB   LEU  70          2HB       LEU  70   9.367  -5.434  -1.138
  516   2HB   LEU  70          1HB       LEU  70  10.256  -4.522   0.062
  517    HG   LEU  70           HG       LEU  70   8.208  -3.203   0.535
  518   1HD1  LEU  70          1HD1      LEU  70   6.553  -5.208  -0.894
  519   2HD1  LEU  70          2HD1      LEU  70   7.289  -3.917  -1.844
  520   3HD1  LEU  70          3HD1      LEU  70   6.211  -3.521  -0.506
  521   1HD2  LEU  70          1HD2      LEU  70   8.610  -6.041   1.059
  522   2HD2  LEU  70          2HD2      LEU  70   6.931  -5.527   1.232
  523   3HD2  LEU  70          3HD2      LEU  70   8.198  -4.731   2.164
  524    H    ASN  71           H        ASN  71  12.080  -4.274  -2.477
  525    HA   ASN  71           HA       ASN  71  13.832  -3.134  -0.676
  526   1HB   ASN  71          2HB       ASN  71  14.263  -3.823  -3.585
  527   2HB   ASN  71          1HB       ASN  71  15.563  -3.374  -2.487
  528   1HD2  ASN  71          1HD2      ASN  71  13.487  -4.915  -0.548
  529   2HD2  ASN  71          2HD2      ASN  71  14.075  -6.530  -0.684
  530    H    HIS  72           H        HIS  72  13.179  -1.850  -3.974
  531    HA   HIS  72           HA       HIS  72  14.544   0.582  -3.451
  532   1HB   HIS  72          2HB       HIS  72  13.499   1.365  -5.580
  533   2HB   HIS  72          1HB       HIS  72  14.376  -0.160  -5.716
  534    HD1  HIS  72           1HD      HIS  72  10.906   1.265  -5.745
  535    HD2  HIS  72           2HD      HIS  72  12.827  -2.363  -6.395
  536    HE1  HIS  72           1HE      HIS  72   9.180  -0.227  -6.796
  537    HE2  HIS  72           2HE      HIS  72  10.394  -2.379  -7.287
  538    H    THR  73           H        THR  73  11.054  -0.217  -3.465
  539    HA   THR  73           HA       THR  73  10.102   2.380  -3.108
  540    HB   THR  73           HB       THR  73   8.154   1.287  -1.953
  541    HG1  THR  73           1HG      THR  73   8.394  -0.637  -1.209
  542   1HG2  THR  73          1HG2      THR  73   7.420   1.121  -4.028
  543   2HG2  THR  73          2HG2      THR  73   8.087  -0.511  -4.067
  544   3HG2  THR  73          3HG2      THR  73   9.048   0.848  -4.647
  545    H    GLN  74           H        GLN  74  10.781  -0.023  -0.579
  546    HA   GLN  74           HA       GLN  74  10.507   1.811   1.568
  547   1HB   GLN  74          2HB       GLN  74  11.930  -0.859   1.529
  548   2HB   GLN  74          1HB       GLN  74  11.392   0.012   2.959
  549   1HG   GLN  74          2HG       GLN  74   9.068  -0.249   2.225
  550   2HG   GLN  74          1HG       GLN  74   9.625  -1.153   0.818
  551   1HE2  GLN  74          1HE2      GLN  74   8.324  -1.488   3.775
  552   2HE2  GLN  74          2HE2      GLN  74   8.880  -3.073   4.177
  553    H    ARG  75           H        ARG  75  12.870   1.342  -0.745
  554    HA   ARG  75           HA       ARG  75  15.199   1.930   0.824
  555   1HB   ARG  75          2HB       ARG  75  15.564   0.722  -1.182
  556   2HB   ARG  75          1HB       ARG  75  14.621   1.856  -2.131
  557   1HG   ARG  75          2HG       ARG  75  16.348   3.523  -1.931
  558   2HG   ARG  75          1HG       ARG  75  17.276   2.471  -0.856
  559   1HD   ARG  75          2HD       ARG  75  16.495   1.679  -3.659
  560   2HD   ARG  75          1HD       ARG  75  18.008   2.514  -3.283
  561    HE   ARG  75           HE       ARG  75  17.504  -0.237  -2.989
  562   1HH1  ARG  75          1HH1      ARG  75  19.035   2.411  -1.312
  563   2HH1  ARG  75          2HH1      ARG  75  20.163   1.395  -0.478
  564   1HH2  ARG  75          1HH2      ARG  75  18.989  -1.576  -1.891
  565   2HH2  ARG  75          2HH2      ARG  75  20.138  -0.866  -0.808
  566    H    ILE  76           H        ILE  76  12.757   3.717  -0.858
  567    HA   ILE  76           HA       ILE  76  14.202   6.208  -0.772
  568    HB   ILE  76           HB       ILE  76  11.246   5.920  -1.265
  569   1HG1  ILE  76          2HG1      ILE  76  12.412   4.334  -2.742
  570   2HG1  ILE  76          1HG1      ILE  76  11.765   5.689  -3.662
  571   1HG2  ILE  76          1HG2      ILE  76  11.945   8.176  -0.991
  572   2HG2  ILE  76          2HG2      ILE  76  11.706   7.912  -2.718
  573   3HG2  ILE  76          3HG2      ILE  76  13.337   7.940  -2.047
  574   1HD1  ILE  76          1HD1      ILE  76  14.524   4.819  -3.285
  575   2HD1  ILE  76          2HD1      ILE  76  14.282   6.556  -3.102
  576   3HD1  ILE  76          3HD1      ILE  76  13.789   5.750  -4.590
  577    H    GLU  77           H        GLU  77  11.349   4.821   0.904
  578    HA   GLU  77           HA       GLU  77  10.899   6.981   2.619
  579   1HB   GLU  77          2HB       GLU  77   9.776   5.363   4.128
  580   2HB   GLU  77          1HB       GLU  77   9.239   5.226   2.473
  581   1HG   GLU  77          2HG       GLU  77   9.465   3.038   2.955
  582   2HG   GLU  77          1HG       GLU  77  11.104   3.353   2.396
  583    H    LEU  78           H        LEU  78  13.405   4.664   2.547
  584    HA   LEU  78           HA       LEU  78  14.224   4.985   5.292
  585   1HB   LEU  78          2HB       LEU  78  14.675   2.903   4.088
  586   2HB   LEU  78          1HB       LEU  78  15.640   3.774   2.912
  587    HG   LEU  78           HG       LEU  78  17.248   4.358   4.710
  588   1HD1  LEU  78          1HD1      LEU  78  16.200   4.308   6.737
  589   2HD1  LEU  78          2HD1      LEU  78  16.968   2.721   6.753
  590   3HD1  LEU  78          3HD1      LEU  78  15.259   2.869   6.342
  591   1HD2  LEU  78          1HD2      LEU  78  17.055   2.067   3.276
  592   2HD2  LEU  78          2HD2      LEU  78  17.120   1.431   4.920
  593   3HD2  LEU  78          3HD2      LEU  78  18.412   2.475   4.325
  594    H    GLN  79           H        GLN  79  15.074   6.303   2.147
  595    HA   GLN  79           HA       GLN  79  17.010   8.099   3.449
  596   1HB   GLN  79          2HB       GLN  79  16.771   7.382   0.522
  597   2HB   GLN  79          1HB       GLN  79  18.007   8.408   1.239
  598   1HG   GLN  79          2HG       GLN  79  18.784   6.484   2.571
  599   2HG   GLN  79          1HG       GLN  79  17.592   5.473   1.759
  600   1HE2  GLN  79          1HE2      GLN  79  18.573   7.668  -0.473
  601   2HE2  GLN  79          2HE2      GLN  79  19.845   6.774  -1.225
  602    H    GLN  80           H        GLN  80  13.981   8.316   3.146
  603    HA   GLN  80           HA       GLN  80  13.941  10.923   1.777
  604   1HB   GLN  80          2HB       GLN  80  12.475   9.338   0.655
  605   2HB   GLN  80          1HB       GLN  80  11.679   8.956   2.179
  606   1HG   GLN  80          2HG       GLN  80  10.264  10.417   0.940
  607   2HG   GLN  80          1HG       GLN  80  10.911  11.307   2.314
  608   1HE2  GLN  80          1HE2      GLN  80  13.319  10.884   0.047
  609   2HE2  GLN  80          2HE2      GLN  80  13.189  12.401  -0.767
  610    H    GLY  81           H        GLY  81  12.398   9.139   4.458
  611   1HA   GLY  81          2HA       GLY  81  12.423  11.653   5.996
  612   2HA   GLY  81          1HA       GLY  81  10.961  10.680   5.910
  613    H    ARG  82           H        ARG  82  14.221   9.379   6.126
  614    HA   ARG  82           HA       ARG  82  13.683   8.582   8.905
  615   1HB   ARG  82          2HB       ARG  82  13.235   6.711   7.300
  616   2HB   ARG  82          1HB       ARG  82  14.919   6.789   6.806
  617   1HG   ARG  82          2HG       ARG  82  14.158   6.336   9.669
  618   2HG   ARG  82          1HG       ARG  82  14.227   5.008   8.509
  619   1HD   ARG  82          2HD       ARG  82  16.563   5.519   8.044
  620   2HD   ARG  82          1HD       ARG  82  16.499   6.884   9.156
  621    HE   ARG  82           HE       ARG  82  15.728   4.588  10.547
  622   1HH1  ARG  82          1HH1      ARG  82  18.562   5.916   9.016
  623   2HH1  ARG  82          2HH1      ARG  82  19.669   5.109  10.075
  624   1HH2  ARG  82          1HH2      ARG  82  17.175   3.525  11.944
  625   2HH2  ARG  82          2HH2      ARG  82  18.881   3.749  11.740
  626    H    VAL  83           H        VAL  83  16.051   9.223   6.380
  627    HA   VAL  83           HA       VAL  83  18.391   8.864   7.870
  628    HB   VAL  83           HB       VAL  83  19.478  10.377   6.248
  629   1HG1  VAL  83          1HG1      VAL  83  18.005   8.946   4.283
  630   2HG1  VAL  83          2HG1      VAL  83  18.138   7.936   5.722
  631   3HG1  VAL  83          3HG1      VAL  83  19.592   8.577   4.957
  632   1HG2  VAL  83          1HG2      VAL  83  16.655  11.073   5.674
  633   2HG2  VAL  83          2HG2      VAL  83  17.761  10.988   4.303
  634   3HG2  VAL  83          3HG2      VAL  83  18.101  12.082   5.644
  635    H    ARG  84           H        ARG  84  15.967  11.217   8.198
  636    HA   ARG  84           HA       ARG  84  17.710  13.235   9.343
  637   1HB   ARG  84          2HB       ARG  84  14.700  13.104   9.101
  638   2HB   ARG  84          1HB       ARG  84  15.593  14.477   9.742
  639   1HG   ARG  84          2HG       ARG  84  16.708  14.748   7.574
  640   2HG   ARG  84          1HG       ARG  84  15.771  13.393   6.937
  641   1HD   ARG  84          2HD       ARG  84  14.786  15.549   6.315
  642   2HD   ARG  84          1HD       ARG  84  13.704  14.608   7.340
  643    HE   ARG  84           HE       ARG  84  15.227  16.309   8.965
  644   1HH1  ARG  84          1HH1      ARG  84  12.711  16.473   6.559
  645   2HH1  ARG  84          2HH1      ARG  84  12.021  17.929   7.194
  646   1HH2  ARG  84          1HH2      ARG  84  14.326  18.227   9.804
  647   2HH2  ARG  84          2HH2      ARG  84  12.940  18.927   9.039
  648    H    LYS  85           H        LYS  85  14.622  12.361  10.748
  649    HA   LYS  85           HA       LYS  85  15.590  10.881  12.945
  650   1HB   LYS  85          2HB       LYS  85  16.604  13.093  13.496
  651   2HB   LYS  85          1HB       LYS  85  14.989  13.785  13.550
  652   1HG   LYS  85          2HG       LYS  85  14.414  12.286  15.398
  653   2HG   LYS  85          1HG       LYS  85  16.043  11.609  15.348
  654   1HD   LYS  85          2HD       LYS  85  15.352  14.495  15.905
  655   2HD   LYS  85          1HD       LYS  85  15.802  13.295  17.118
  656   1HE   LYS  85          2HE       LYS  85  17.530  14.262  14.840
  657   2HE   LYS  85          1HE       LYS  85  17.698  14.718  16.534
  658   1HZ   LYS  85          1HZ       LYS  85  18.950  12.939  16.857
  659   2HZ   LYS  85          2HZ       LYS  85  18.812  12.521  15.225
  660   3HZ   LYS  85          3HZ       LYS  85  17.701  11.918  16.349
  661    H    ALA  86           H        ALA  86  13.216  12.348  11.110
  662    HA   ALA  86           HA       ALA  86  10.980  12.388  12.782
  663   1HB   ALA  86          1HB       ALA  86   9.980  13.101  10.932
  664   2HB   ALA  86          2HB       ALA  86  10.266  11.561  10.121
  665   3HB   ALA  86          3HB       ALA  86  11.495  12.824  10.071
  666    H    GLU  87           H        GLU  87  11.861   9.830  10.441
  667    HA   GLU  87           HA       GLU  87   9.933   7.987  11.194
  668   1HB   GLU  87          2HB       GLU  87  11.344   7.808   9.173
  669   2HB   GLU  87          1HB       GLU  87  12.723   7.400  10.183
  670   1HG   GLU  87          2HG       GLU  87  10.234   5.750  10.286
  671   2HG   GLU  87          1HG       GLU  87  11.404   5.525   8.990
  672    H    ARG  88           H        ARG  88  12.896   8.839  12.788
  673    HA   ARG  88           HA       ARG  88  13.349   6.556  14.325
  674   1HB   ARG  88          2HB       ARG  88  13.829   9.450  15.053
  675   2HB   ARG  88          1HB       ARG  88  14.503   8.072  15.910
  676   1HG   ARG  88          2HG       ARG  88  15.025   8.733  13.019
  677   2HG   ARG  88          1HG       ARG  88  16.104   9.110  14.365
  678   1HD   ARG  88          2HD       ARG  88  15.240   6.360  13.476
  679   2HD   ARG  88          1HD       ARG  88  16.829   7.086  13.231
  680    HE   ARG  88           HE       ARG  88  16.244   7.094  15.974
  681   1HH1  ARG  88          1HH1      ARG  88  16.964   4.853  13.405
  682   2HH1  ARG  88          2HH1      ARG  88  17.674   3.675  14.457
  683   1HH2  ARG  88          1HH2      ARG  88  17.174   5.545  17.367
  684   2HH2  ARG  88          2HH2      ARG  88  17.793   4.068  16.709
  685    H    TRP  89           H        TRP  89  11.140   9.255  14.858
  686    HA   TRP  89           HA       TRP  89  10.411   8.754  17.492
  687   1HB   TRP  89          2HB       TRP  89   8.772   9.863  15.210
  688   2HB   TRP  89          1HB       TRP  89   8.236   9.863  16.885
  689    HD1  TRP  89           HD       TRP  89  11.733  10.855  15.527
  690    HE1  TRP  89           1HE      TRP  89  12.222  13.263  16.288
  691    HE3  TRP  89           3HE      TRP  89   7.280  11.904  17.805
  692    HZ2  TRP  89           2HZ      TRP  89  10.894  15.335  17.671
  693    HZ3  TRP  89           3HZ      TRP  89   6.970  14.123  18.822
  694    HH2  TRP  89           HH       TRP  89   8.741  15.802  18.756
  695    H    GLY  90           H        GLY  90   8.216   7.984  14.803
  696   1HA   GLY  90          2HA       GLY  90   7.972   5.239  15.307
  697   2HA   GLY  90          1HA       GLY  90   6.771   6.071  16.281
  698    HA   PRO  91           HA       PRO  91   3.841   6.924  13.066
  699   1HB   PRO  91          2HB       PRO  91   4.667   9.403  11.938
  700   2HB   PRO  91          1HB       PRO  91   3.390   9.136  13.128
  701   1HG   PRO  91          2HG       PRO  91   6.200   9.999  13.527
  702   2HG   PRO  91          1HG       PRO  91   4.759  10.358  14.496
  703   1HD   PRO  91          2HD       PRO  91   6.630   8.643  15.355
  704   2HD   PRO  91          1HD       PRO  91   4.904   8.363  15.674
  705    H    ARG  92           H        ARG  92   3.876   5.760  11.291
  706    HA   ARG  92           HA       ARG  92   6.139   5.219   9.728
  707   1HB   ARG  92          2HB       ARG  92   4.282   3.681   9.825
  708   2HB   ARG  92          1HB       ARG  92   3.191   4.884   9.158
  709   1HG   ARG  92          2HG       ARG  92   4.442   4.821   7.044
  710   2HG   ARG  92          1HG       ARG  92   5.484   3.568   7.722
  711   1HD   ARG  92          2HD       ARG  92   3.720   2.608   6.324
  712   2HD   ARG  92          1HD       ARG  92   3.563   2.101   8.005
  713    HE   ARG  92           HE       ARG  92   1.983   4.379   7.608
  714   1HH1  ARG  92          1HH1      ARG  92   2.109   1.030   6.649
  715   2HH1  ARG  92          2HH1      ARG  92   0.394   0.890   6.450
  716   1HH2  ARG  92          1HH2      ARG  92  -0.273   4.202   7.349
  717   2HH2  ARG  92          2HH2      ARG  92  -0.960   2.692   6.847
  718    H    THR  93           H        THR  93   7.137   6.428   8.211
  719    HA   THR  93           HA       THR  93   5.839   8.822   7.198
  720    HB   THR  93           HB       THR  93   8.154   9.013   7.879
  721    HG1  THR  93           1HG      THR  93   7.738  10.292   6.143
  722   1HG2  THR  93          1HG2      THR  93   8.663   6.545   7.316
  723   2HG2  THR  93          2HG2      THR  93   9.929   7.758   7.133
  724   3HG2  THR  93          3HG2      THR  93   9.057   7.173   5.715
  725    H    LEU  94           H        LEU  94   6.941   5.696   6.106
  726    HA   LEU  94           HA       LEU  94   5.157   5.676   3.912
  727   1HB   LEU  94          2HB       LEU  94   6.906   7.237   3.083
  728   2HB   LEU  94          1HB       LEU  94   8.084   5.960   3.259
  729    HG   LEU  94           HG       LEU  94   5.707   5.752   1.422
  730   1HD1  LEU  94          1HD1      LEU  94   6.785   6.891  -0.171
  731   2HD1  LEU  94          2HD1      LEU  94   8.340   6.167   0.235
  732   3HD1  LEU  94          3HD1      LEU  94   7.747   7.552   1.151
  733   1HD2  LEU  94          1HD2      LEU  94   7.047   3.683   2.246
  734   2HD2  LEU  94          2HD2      LEU  94   8.301   4.280   1.160
  735   3HD2  LEU  94          3HD2      LEU  94   6.710   3.863   0.526
  736    H    ASP  95           H        ASP  95   4.703   3.645   3.456
  737    HA   ASP  95           HA       ASP  95   6.615   1.535   3.474
  738   1HB   ASP  95          2HB       ASP  95   6.214   1.775   5.912
  739   2HB   ASP  95          1HB       ASP  95   4.496   1.500   5.637
  740    H    LEU  96           H        LEU  96   5.991   0.365   1.813
  741    HA   LEU  96           HA       LEU  96   3.110   0.005   1.361
  742   1HB   LEU  96          2HB       LEU  96   3.603   0.034  -1.065
  743   2HB   LEU  96          1HB       LEU  96   3.913   1.562  -0.263
  744    HG   LEU  96           HG       LEU  96   6.375   0.572  -0.122
  745   1HD1  LEU  96          1HD1      LEU  96   6.925  -1.053  -1.559
  746   2HD1  LEU  96          2HD1      LEU  96   5.829  -0.464  -2.811
  747   3HD1  LEU  96          3HD1      LEU  96   5.210  -1.457  -1.491
  748   1HD2  LEU  96          1HD2      LEU  96   6.763   2.330  -1.409
  749   2HD2  LEU  96          2HD2      LEU  96   5.024   2.460  -1.674
  750   3HD2  LEU  96          3HD2      LEU  96   6.021   1.542  -2.802
  751    H    ASP  97           H        ASP  97   2.405  -1.958   0.758
  752    HA   ASP  97           HA       ASP  97   4.282  -4.090   0.123
  753   1HB   ASP  97          2HB       ASP  97   3.350  -5.584   1.870
  754   2HB   ASP  97          1HB       ASP  97   4.216  -4.217   2.559
  755    H    ILE  98           H        ILE  98   3.440  -5.751  -0.953
  756    HA   ILE  98           HA       ILE  98   1.199  -5.132  -2.503
  757    HB   ILE  98           HB       ILE  98   3.239  -6.679  -2.985
  758   1HG1  ILE  98          2HG1      ILE  98   0.414  -7.118  -3.873
  759   2HG1  ILE  98          1HG1      ILE  98   1.613  -6.086  -4.623
  760   1HG2  ILE  98          1HG2      ILE  98   2.202  -8.227  -1.050
  761   2HG2  ILE  98          2HG2      ILE  98   3.158  -8.864  -2.387
  762   3HG2  ILE  98          3HG2      ILE  98   1.396  -8.929  -2.453
  763   1HD1  ILE  98          1HD1      ILE  98   1.987  -9.052  -4.458
  764   2HD1  ILE  98          2HD1      ILE  98   2.788  -7.891  -5.517
  765   3HD1  ILE  98          3HD1      ILE  98   1.089  -8.290  -5.771
  766    H    MET  99           H        MET  99  -0.824  -6.066  -2.625
  767    HA   MET  99           HA       MET  99  -1.769  -7.383  -0.177
  768   1HB   MET  99          2HB       MET  99  -2.954  -5.257  -1.901
  769   2HB   MET  99          1HB       MET  99  -4.053  -6.459  -1.243
  770   1HG   MET  99          2HG       MET  99  -3.933  -4.466   0.151
  771   2HG   MET  99          1HG       MET  99  -3.372  -5.902   1.006
  772   1HE   MET  99          1HE       MET  99  -1.105  -3.359   2.689
  773   2HE   MET  99          2HE       MET  99  -2.603  -4.289   2.748
  774   3HE   MET  99          3HE       MET  99  -2.579  -2.703   1.979
  775    H    LEU 100           H        LEU 100  -1.020  -7.668  -3.375
  776    HA   LEU 100           HA       LEU 100  -1.924 -10.311  -3.597
  777   1HB   LEU 100          2HB       LEU 100  -4.131  -9.300  -3.734
  778   2HB   LEU 100          1HB       LEU 100  -3.597  -8.281  -5.065
  779    HG   LEU 100           HG       LEU 100  -2.995 -10.947  -5.716
  780   1HD1  LEU 100          1HD1      LEU 100  -5.774 -10.517  -4.663
  781   2HD1  LEU 100          2HD1      LEU 100  -4.619 -11.770  -4.216
  782   3HD1  LEU 100          3HD1      LEU 100  -5.374 -11.797  -5.809
  783   1HD2  LEU 100          1HD2      LEU 100  -5.123 -10.206  -7.283
  784   2HD2  LEU 100          2HD2      LEU 100  -3.423  -9.870  -7.613
  785   3HD2  LEU 100          3HD2      LEU 100  -4.420  -8.664  -6.797
  786    H    PHE 101           H        PHE 101  -0.559 -11.247  -4.993
  787    HA   PHE 101           HA       PHE 101   0.700  -9.588  -7.072
  788   1HB   PHE 101          2HB       PHE 101   2.152 -10.842  -5.443
  789   2HB   PHE 101          1HB       PHE 101   1.513 -12.341  -6.105
  790    HD1  PHE 101           1HD      PHE 101   3.103 -13.415  -7.363
  791    HD2  PHE 101           2HD      PHE 101   2.777  -9.179  -7.636
  792    HE1  PHE 101           1HE      PHE 101   4.848 -13.396  -9.097
  793    HE2  PHE 101           2HE      PHE 101   4.523  -9.153  -9.370
  794    HZ   PHE 101           HZ       PHE 101   5.596 -11.274 -10.065
  795    H    GLY 102           H        GLY 102  -1.198  -9.672  -8.425
  796   1HA   GLY 102          2HA       GLY 102  -2.122 -10.485 -10.400
  797   2HA   GLY 102          1HA       GLY 102  -1.219 -11.977 -10.178
  798    H    ASN 103           H        ASN 103  -2.015 -12.655  -7.661
  799    HA   ASN 103           HA       ASN 103  -4.190 -12.845  -6.423
  800   1HB   ASN 103          2HB       ASN 103  -6.058 -13.862  -7.479
  801   2HB   ASN 103          1HB       ASN 103  -5.514 -12.620  -8.601
  802   1HD2  ASN 103          1HD2      ASN 103  -5.485 -13.226 -10.628
  803   2HD2  ASN 103          2HD2      ASN 103  -5.222 -14.829 -11.214
  804    H    GLU 104           H        GLU 104  -1.621 -14.143  -7.638
  805    HA   GLU 104           HA       GLU 104  -1.822 -16.930  -7.445
  806   1HB   GLU 104          2HB       GLU 104   0.042 -15.594  -8.474
  807   2HB   GLU 104          1HB       GLU 104   0.574 -15.175  -6.855
  808   1HG   GLU 104          2HG       GLU 104   1.137 -17.432  -6.367
  809   2HG   GLU 104          1HG       GLU 104   0.389 -17.999  -7.853
  810    H    VAL 105           H        VAL 105  -0.128 -17.949  -5.643
  811    HA   VAL 105           HA       VAL 105  -1.092 -16.974  -3.043
  812    HB   VAL 105           HB       VAL 105  -0.615 -19.868  -3.789
  813   1HG1  VAL 105          1HG1      VAL 105  -0.190 -19.834  -1.532
  814   2HG1  VAL 105          2HG1      VAL 105  -1.938 -20.082  -1.530
  815   3HG1  VAL 105          3HG1      VAL 105  -1.273 -18.475  -1.238
  816   1HG2  VAL 105          1HG2      VAL 105  -3.230 -18.475  -3.228
  817   2HG2  VAL 105          2HG2      VAL 105  -3.000 -20.159  -3.697
  818   3HG2  VAL 105          3HG2      VAL 105  -2.631 -18.867  -4.839
  819    H    ILE 106           H        ILE 106   0.811 -15.761  -2.831
  820    HA   ILE 106           HA       ILE 106   3.218 -17.368  -2.283
  821    HB   ILE 106           HB       ILE 106   2.994 -14.616  -3.488
  822   1HG1  ILE 106          2HG1      ILE 106   4.381 -17.146  -4.388
  823   2HG1  ILE 106          1HG1      ILE 106   2.916 -16.455  -5.078
  824   1HG2  ILE 106          1HG2      ILE 106   4.667 -14.467  -1.750
  825   2HG2  ILE 106          2HG2      ILE 106   5.455 -14.474  -3.328
  826   3HG2  ILE 106          3HG2      ILE 106   5.451 -15.934  -2.339
  827   1HD1  ILE 106          1HD1      ILE 106   5.162 -14.593  -5.042
  828   2HD1  ILE 106          2HD1      ILE 106   4.067 -15.032  -6.354
  829   3HD1  ILE 106          3HD1      ILE 106   5.462 -16.048  -5.992
  830    H    ASN 107           H        ASN 107   3.175 -17.567  -0.110
  831    HA   ASN 107           HA       ASN 107   2.928 -15.089   1.464
  832   1HB   ASN 107          2HB       ASN 107   2.055 -17.894   2.152
  833   2HB   ASN 107          1HB       ASN 107   2.207 -16.620   3.355
  834   1HD2  ASN 107          1HD2      ASN 107   1.366 -14.931   0.781
  835   2HD2  ASN 107          2HD2      ASN 107  -0.351 -14.977   0.907
  836    H    THR 108           H        THR 108   4.931 -14.479   1.937
  837    HA   THR 108           HA       THR 108   6.714 -16.467   3.170
  838    HB   THR 108           HB       THR 108   8.639 -15.273   2.140
  839    HG1  THR 108           1HG      THR 108   6.979 -14.094   0.257
  840   1HG2  THR 108          1HG2      THR 108   7.467 -17.272   1.042
  841   2HG2  THR 108          2HG2      THR 108   8.569 -16.298   0.069
  842   3HG2  THR 108          3HG2      THR 108   6.825 -16.083  -0.091
  843    H    GLU 109           H        GLU 109   6.824 -12.948   2.600
  844    HA   GLU 109           HA       GLU 109   6.214 -12.140   5.197
  845   1HB   GLU 109          2HB       GLU 109   8.278 -13.347   5.806
  846   2HB   GLU 109          1HB       GLU 109   9.189 -12.341   4.690
  847   1HG   GLU 109          2HG       GLU 109   8.674 -10.371   6.009
  848   2HG   GLU 109          1HG       GLU 109   7.699 -11.345   7.109
  849    H    ARG 110           H        ARG 110   7.508 -11.596   2.082
  850    HA   ARG 110           HA       ARG 110   7.429  -8.687   2.530
  851   1HB   ARG 110          2HB       ARG 110   8.958 -10.277   0.472
  852   2HB   ARG 110          1HB       ARG 110   8.808  -8.528   0.435
  853   1HG   ARG 110          2HG       ARG 110  10.896  -8.973   1.403
  854   2HG   ARG 110          1HG       ARG 110   9.838  -8.523   2.744
  855   1HD   ARG 110          2HD       ARG 110   9.508 -10.870   3.297
  856   2HD   ARG 110          1HD       ARG 110  10.516 -11.348   1.932
  857    HE   ARG 110           HE       ARG 110  12.317 -11.042   3.280
  858   1HH1  ARG 110          1HH1      ARG 110   9.735  -9.022   4.473
  859   2HH1  ARG 110          2HH1      ARG 110  10.652  -8.425   5.815
  860   1HH2  ARG 110          1HH2      ARG 110  13.524 -10.264   5.045
  861   2HH2  ARG 110          2HH2      ARG 110  12.806  -9.131   6.140
  862    H    LEU 111           H        LEU 111   5.961 -11.297   0.765
  863    HA   LEU 111           HA       LEU 111   4.201  -9.337  -0.471
  864   1HB   LEU 111          2HB       LEU 111   4.463 -10.115  -2.695
  865   2HB   LEU 111          1HB       LEU 111   6.045  -9.712  -2.066
  866    HG   LEU 111           HG       LEU 111   4.932 -12.505  -2.378
  867   1HD1  LEU 111          1HD1      LEU 111   6.910 -12.571  -4.035
  868   2HD1  LEU 111          2HD1      LEU 111   6.774 -10.811  -4.013
  869   3HD1  LEU 111          3HD1      LEU 111   5.405 -11.795  -4.527
  870   1HD2  LEU 111          1HD2      LEU 111   7.649 -12.712  -2.075
  871   2HD2  LEU 111          2HD2      LEU 111   6.454 -13.020  -0.816
  872   3HD2  LEU 111          3HD2      LEU 111   7.237 -11.444  -0.921
  873    H    THR 112           H        THR 112   3.051 -10.651   1.400
  874    HA   THR 112           HA       THR 112   2.090 -13.237   0.655
  875    HB   THR 112           HB       THR 112   2.099 -12.726   2.980
  876    HG1  THR 112           1HG      THR 112  -0.430 -12.875   1.804
  877   1HG2  THR 112          1HG2      THR 112   2.036 -10.292   2.877
  878   2HG2  THR 112          2HG2      THR 112   0.845 -10.934   4.009
  879   3HG2  THR 112          3HG2      THR 112   0.333 -10.357   2.423
  880    H    VAL 113           H        VAL 113   1.037 -13.326  -1.274
  881    HA   VAL 113           HA       VAL 113  -0.416 -11.297  -2.478
  882    HB   VAL 113           HB       VAL 113  -0.834 -14.265  -2.820
  883   1HG1  VAL 113          1HG1      VAL 113  -1.510 -13.207  -5.188
  884   2HG1  VAL 113          2HG1      VAL 113  -2.008 -11.887  -4.128
  885   3HG1  VAL 113          3HG1      VAL 113  -2.677 -13.503  -3.899
  886   1HG2  VAL 113          1HG2      VAL 113   0.517 -13.600  -4.980
  887   2HG2  VAL 113          2HG2      VAL 113   1.339 -13.998  -3.470
  888   3HG2  VAL 113          3HG2      VAL 113   1.108 -12.311  -3.931
  889    HA   PRO 114           HA       PRO 114  -4.581 -13.035  -0.758
  890   1HB   PRO 114          2HB       PRO 114  -4.283 -14.661   1.456
  891   2HB   PRO 114          1HB       PRO 114  -4.595 -15.242  -0.180
  892   1HG   PRO 114          2HG       PRO 114  -2.005 -15.042   1.296
  893   2HG   PRO 114          1HG       PRO 114  -2.612 -16.360   0.272
  894   1HD   PRO 114          2HD       PRO 114  -0.825 -14.620  -0.668
  895   2HD   PRO 114          1HD       PRO 114  -2.156 -15.209  -1.696
  896    H    HIS 115           H        HIS 115  -1.723 -12.607   1.132
  897    HA   HIS 115           HA       HIS 115  -1.171 -11.305   2.926
  898   1HB   HIS 115          2HB       HIS 115  -1.605  -9.649   1.144
  899   2HB   HIS 115          1HB       HIS 115  -3.261  -9.506   1.705
  900    HD1  HIS 115           1HD      HIS 115  -3.245  -8.864   4.494
  901    HD2  HIS 115           2HD      HIS 115  -0.082  -7.655   2.086
  902    HE1  HIS 115           1HE      HIS 115  -2.148  -6.966   5.725
  903    HE2  HIS 115           2HE      HIS 115  -0.186  -6.308   4.291
  904    H    TYR 116           H        TYR 116  -1.672 -11.963   4.926
  905    HA   TYR 116           HA       TYR 116  -4.479 -12.022   5.725
  906   1HB   TYR 116          2HB       TYR 116  -3.024 -13.940   6.297
  907   2HB   TYR 116          1HB       TYR 116  -2.012 -12.869   7.261
  908    HD1  TYR 116           1HD      TYR 116  -5.699 -13.468   6.983
  909    HD2  TYR 116           2HD      TYR 116  -2.294 -13.191   9.519
  910    HE1  TYR 116           1HE      TYR 116  -7.132 -13.870   8.941
  911    HE2  TYR 116           2HE      TYR 116  -3.718 -13.594  11.483
  912    HH   TYR 116           HH       TYR 116  -6.673 -13.147  11.736
  913    H    ASP 117           H        ASP 117  -5.136  -9.994   6.046
  914    HA   ASP 117           HA       ASP 117  -5.194  -8.664   8.302
  915   1HB   ASP 117          2HB       ASP 117  -2.749  -8.568   8.475
  916   2HB   ASP 117          1HB       ASP 117  -2.666  -7.675   6.960
  917    H    MET 118           H        MET 118  -4.694  -8.310   4.865
  918    HA   MET 118           HA       MET 118  -5.613  -5.672   4.552
  919   1HB   MET 118          2HB       MET 118  -6.186  -6.363   2.208
  920   2HB   MET 118          1HB       MET 118  -4.539  -6.774   2.678
  921   1HG   MET 118          2HG       MET 118  -5.370  -9.083   3.187
  922   2HG   MET 118          1HG       MET 118  -6.910  -8.614   2.471
  923   1HE   MET 118          1HE       MET 118  -7.092  -7.534   0.227
  924   2HE   MET 118          2HE       MET 118  -6.260  -8.166  -1.194
  925   3HE   MET 118          3HE       MET 118  -5.582  -6.797  -0.312
  926    H    LYS 119           H        LYS 119  -7.218  -8.488   5.500
  927    HA   LYS 119           HA       LYS 119  -9.838  -7.911   4.580
  928   1HB   LYS 119          2HB       LYS 119 -10.552  -9.538   6.293
  929   2HB   LYS 119          1HB       LYS 119  -9.214 -10.150   5.331
  930   1HG   LYS 119          2HG       LYS 119  -7.658  -9.578   7.128
  931   2HG   LYS 119          1HG       LYS 119  -9.003  -8.970   8.094
  932   1HD   LYS 119          2HD       LYS 119  -8.684 -11.809   7.114
  933   2HD   LYS 119          1HD       LYS 119  -8.352 -11.247   8.753
  934   1HE   LYS 119          2HE       LYS 119 -10.699 -10.584   8.995
  935   2HE   LYS 119          1HE       LYS 119 -11.026 -11.152   7.359
  936   1HZ   LYS 119          1HZ       LYS 119  -9.792 -13.232   8.746
  937   2HZ   LYS 119          2HZ       LYS 119 -11.387 -13.157   8.190
  938   3HZ   LYS 119          3HZ       LYS 119 -11.010 -12.624   9.750
  939    H    ASN 120           H        ASN 120  -7.905  -6.177   6.511
  940    HA   ASN 120           HA       ASN 120 -10.147  -4.977   7.982
  941   1HB   ASN 120          2HB       ASN 120  -7.353  -5.520   8.998
  942   2HB   ASN 120          1HB       ASN 120  -8.538  -4.538   9.839
  943   1HD2  ASN 120          1HD2      ASN 120  -7.181  -7.475   9.755
  944   2HD2  ASN 120          2HD2      ASN 120  -8.446  -8.427  10.442
  945    H    ARG 121           H        ARG 121  -8.542  -4.343   5.441
  946    HA   ARG 121           HA       ARG 121  -7.881  -1.587   6.223
  947   1HB   ARG 121          2HB       ARG 121  -6.346  -3.339   4.304
  948   2HB   ARG 121          1HB       ARG 121  -6.062  -1.618   4.525
  949   1HG   ARG 121          2HG       ARG 121  -5.519  -2.038   6.890
  950   2HG   ARG 121          1HG       ARG 121  -5.729  -3.767   6.606
  951   1HD   ARG 121          2HD       ARG 121  -3.932  -3.721   4.955
  952   2HD   ARG 121          1HD       ARG 121  -3.737  -1.986   5.206
  953    HE   ARG 121           HE       ARG 121  -3.460  -3.307   7.669
  954   1HH1  ARG 121          1HH1      ARG 121  -1.798  -2.922   4.630
  955   2HH1  ARG 121          2HH1      ARG 121  -0.225  -3.169   5.314
  956   1HH2  ARG 121          1HH2      ARG 121  -1.392  -3.629   8.576
  957   2HH2  ARG 121          2HH2      ARG 121   0.006  -3.572   7.555
  958    H    GLY 122           H        GLY 122 -10.087  -1.135   5.511
  959   1HA   GLY 122          2HA       GLY 122 -10.893  -1.497   2.790
  960   2HA   GLY 122          1HA       GLY 122 -11.620  -0.393   3.957
  961    H    PHE 123           H        PHE 123  -8.701   0.555   4.309
  962    HA   PHE 123           HA       PHE 123  -8.907   2.714   2.377
  963   1HB   PHE 123          2HB       PHE 123  -7.010   3.678   3.705
  964   2HB   PHE 123          1HB       PHE 123  -8.465   3.367   4.645
  965    HD1  PHE 123           1HD      PHE 123  -5.048   2.207   3.929
  966    HD2  PHE 123           2HD      PHE 123  -8.466   1.790   6.426
  967    HE1  PHE 123           1HE      PHE 123  -3.727   0.854   5.503
  968    HE2  PHE 123           2HE      PHE 123  -7.150   0.441   8.009
  969    HZ   PHE 123           HZ       PHE 123  -4.780   0.011   7.583
  970    H    MET 124           H        MET 124  -7.768  -0.258   2.141
  971    HA   MET 124           HA       MET 124  -5.505   0.557   0.445
  972   1HB   MET 124          2HB       MET 124  -5.707  -1.886   2.209
  973   2HB   MET 124          1HB       MET 124  -4.470  -1.666   0.980
  974   1HG   MET 124          2HG       MET 124  -4.901   0.069   3.398
  975   2HG   MET 124          1HG       MET 124  -3.625  -1.126   3.182
  976   1HE   MET 124          1HE       MET 124  -1.484   2.074   2.975
  977   2HE   MET 124          2HE       MET 124  -1.776   0.529   3.775
  978   3HE   MET 124          3HE       MET 124  -2.889   1.874   4.024
  979    H    LEU 125           H        LEU 125  -8.116  -1.771   1.000
  980    HA   LEU 125           HA       LEU 125  -7.699  -2.955  -1.589
  981   1HB   LEU 125          2HB       LEU 125  -9.953  -3.514   0.313
  982   2HB   LEU 125          1HB       LEU 125  -9.315  -4.553  -0.937
  983    HG   LEU 125           HG       LEU 125  -8.118  -3.898   1.725
  984   1HD1  LEU 125          1HD1      LEU 125  -7.878  -6.527   1.465
  985   2HD1  LEU 125          2HD1      LEU 125  -9.259  -6.274   0.398
  986   3HD1  LEU 125          3HD1      LEU 125  -9.340  -5.757   2.083
  987   1HD2  LEU 125          1HD2      LEU 125  -6.753  -4.905  -0.738
  988   2HD2  LEU 125          2HD2      LEU 125  -6.195  -5.383   0.865
  989   3HD2  LEU 125          3HD2      LEU 125  -6.215  -3.680   0.410
  990    H    TRP 126           H        TRP 126 -10.259  -0.962  -0.017
  991    HA   TRP 126           HA       TRP 126 -11.992  -0.861  -2.191
  992   1HB   TRP 126          2HB       TRP 126 -12.812   0.180  -0.233
  993   2HB   TRP 126          1HB       TRP 126 -11.367   1.171  -0.053
  994    HD1  TRP 126           HD       TRP 126 -12.199   3.558  -0.252
  995    HE1  TRP 126           1HE      TRP 126 -13.597   4.894  -1.954
  996    HE3  TRP 126           3HE      TRP 126 -13.638  -0.275  -3.311
  997    HZ2  TRP 126           2HZ      TRP 126 -15.108   4.390  -4.280
  998    HZ3  TRP 126           3HZ      TRP 126 -15.060   0.237  -5.252
  999    HH2  TRP 126           HH       TRP 126 -15.779   2.522  -5.726
 1000    HA   PRO 127           HA       PRO 127  -9.263   3.006  -3.740
 1001   1HB   PRO 127          2HB       PRO 127  -6.605   2.274  -3.119
 1002   2HB   PRO 127          1HB       PRO 127  -7.497   3.649  -2.459
 1003   1HG   PRO 127          2HG       PRO 127  -6.994   0.968  -1.292
 1004   2HG   PRO 127          1HG       PRO 127  -7.205   2.530  -0.480
 1005   1HD   PRO 127          2HD       PRO 127  -9.132   0.666  -0.450
 1006   2HD   PRO 127          1HD       PRO 127  -9.514   2.397  -0.557
 1007    H    LEU 128           H        LEU 128  -7.664  -0.135  -3.251
 1008    HA   LEU 128           HA       LEU 128  -6.674  -0.381  -5.899
 1009   1HB   LEU 128          2HB       LEU 128  -5.730  -1.568  -3.952
 1010   2HB   LEU 128          1HB       LEU 128  -7.204  -2.504  -3.812
 1011    HG   LEU 128           HG       LEU 128  -6.758  -3.536  -6.003
 1012   1HD1  LEU 128          1HD1      LEU 128  -4.411  -1.689  -5.932
 1013   2HD1  LEU 128          2HD1      LEU 128  -5.522  -2.040  -7.254
 1014   3HD1  LEU 128          3HD1      LEU 128  -4.305  -3.227  -6.789
 1015   1HD2  LEU 128          1HD2      LEU 128  -5.674  -4.180  -3.627
 1016   2HD2  LEU 128          2HD2      LEU 128  -4.211  -3.973  -4.588
 1017   3HD2  LEU 128          3HD2      LEU 128  -5.443  -5.127  -5.097
 1018    H    PHE 129           H        PHE 129  -9.720  -0.914  -4.450
 1019    HA   PHE 129           HA       PHE 129 -10.755  -2.817  -6.321
 1020   1HB   PHE 129          2HB       PHE 129 -11.624  -2.422  -3.971
 1021   2HB   PHE 129          1HB       PHE 129 -12.308  -0.910  -4.551
 1022    HD1  PHE 129           1HD      PHE 129 -14.021  -1.027  -6.433
 1023    HD2  PHE 129           2HD      PHE 129 -12.798  -4.422  -4.163
 1024    HE1  PHE 129           1HE      PHE 129 -16.070  -2.211  -7.105
 1025    HE2  PHE 129           2HE      PHE 129 -14.840  -5.610  -4.850
 1026    HZ   PHE 129           HZ       PHE 129 -16.479  -4.506  -6.318
 1027    H    GLU 130           H        GLU 130 -10.551   0.662  -6.065
 1028    HA   GLU 130           HA       GLU 130 -12.392   1.237  -8.174
 1029   1HB   GLU 130          2HB       GLU 130 -11.860   2.890  -6.430
 1030   2HB   GLU 130          1HB       GLU 130 -10.193   2.941  -6.983
 1031   1HG   GLU 130          2HG       GLU 130 -11.364   4.861  -7.808
 1032   2HG   GLU 130          1HG       GLU 130 -10.967   3.800  -9.157
 1033    H    ILE 131           H        ILE 131  -8.917   0.790  -7.901
 1034    HA   ILE 131           HA       ILE 131  -8.498   1.331 -10.728
 1035    HB   ILE 131           HB       ILE 131  -6.155   1.042 -10.306
 1036   1HG1  ILE 131          2HG1      ILE 131  -6.884   0.156  -7.488
 1037   2HG1  ILE 131          1HG1      ILE 131  -6.336  -0.915  -8.782
 1038   1HG2  ILE 131          1HG2      ILE 131  -7.744   2.710  -8.434
 1039   2HG2  ILE 131          2HG2      ILE 131  -6.623   3.188  -9.708
 1040   3HG2  ILE 131          3HG2      ILE 131  -6.003   2.594  -8.167
 1041   1HD1  ILE 131          1HD1      ILE 131  -4.746   0.327  -6.922
 1042   2HD1  ILE 131          2HD1      ILE 131  -4.538   1.323  -8.364
 1043   3HD1  ILE 131          3HD1      ILE 131  -4.204  -0.408  -8.431
 1044    H    ALA 132           H        ALA 132  -9.495  -1.225  -8.863
 1045    HA   ALA 132           HA       ALA 132  -9.373  -3.099 -10.990
 1046   1HB   ALA 132          1HB       ALA 132  -7.813  -4.185  -8.732
 1047   2HB   ALA 132          2HB       ALA 132  -6.995  -2.998  -9.745
 1048   3HB   ALA 132          3HB       ALA 132  -7.652  -4.467 -10.463
 1049    HA   PRO 133           HA       PRO 133 -12.563  -3.956  -7.755
 1050   1HB   PRO 133          2HB       PRO 133 -14.721  -3.800  -9.341
 1051   2HB   PRO 133          1HB       PRO 133 -13.931  -2.352  -8.705
 1052   1HG   PRO 133          2HG       PRO 133 -13.769  -3.559 -11.430
 1053   2HG   PRO 133          1HG       PRO 133 -13.828  -1.852 -10.957
 1054   1HD   PRO 133          2HD       PRO 133 -11.527  -3.241 -11.637
 1055   2HD   PRO 133          1HD       PRO 133 -11.572  -1.737 -10.699
 1056    H    GLU 134           H        GLU 134 -11.151  -5.638 -10.147
 1057    HA   GLU 134           HA       GLU 134 -12.887  -7.974  -9.728
 1058   1HB   GLU 134          2HB       GLU 134 -12.430  -8.698 -12.039
 1059   2HB   GLU 134          1HB       GLU 134 -13.296  -7.168 -11.983
 1060   1HG   GLU 134          2HG       GLU 134 -11.228  -5.966 -12.416
 1061   2HG   GLU 134          1HG       GLU 134 -10.338  -7.486 -12.437
 1062    H    LEU 135           H        LEU 135 -10.433  -7.060  -8.424
 1063    HA   LEU 135           HA       LEU 135  -8.158  -8.457  -9.252
 1064   1HB   LEU 135          2HB       LEU 135  -7.897  -6.763  -7.636
 1065   2HB   LEU 135          1HB       LEU 135  -9.121  -7.453  -6.593
 1066    HG   LEU 135           HG       LEU 135  -6.566  -8.942  -7.091
 1067   1HD1  LEU 135          1HD1      LEU 135  -6.708  -7.276  -4.673
 1068   2HD1  LEU 135          2HD1      LEU 135  -6.469  -6.392  -6.181
 1069   3HD1  LEU 135          3HD1      LEU 135  -5.335  -7.658  -5.710
 1070   1HD2  LEU 135          1HD2      LEU 135  -7.431  -9.148  -4.445
 1071   2HD2  LEU 135          2HD2      LEU 135  -7.584 -10.364  -5.713
 1072   3HD2  LEU 135          3HD2      LEU 135  -8.899  -9.225  -5.419
 1073    H    VAL 136           H        VAL 136 -11.004  -9.517  -7.574
 1074    HA   VAL 136           HA       VAL 136 -11.601 -11.469  -6.577
 1075    HB   VAL 136           HB       VAL 136 -11.839 -12.007  -8.963
 1076   1HG1  VAL 136          1HG1      VAL 136 -10.219 -13.251 -10.190
 1077   2HG1  VAL 136          2HG1      VAL 136  -9.166 -13.377  -8.780
 1078   3HG1  VAL 136          3HG1      VAL 136  -9.423 -11.811  -9.552
 1079   1HG2  VAL 136          1HG2      VAL 136 -12.129 -14.337  -8.681
 1080   2HG2  VAL 136          2HG2      VAL 136 -12.390 -13.597  -7.101
 1081   3HG2  VAL 136          3HG2      VAL 136 -10.867 -14.416  -7.451
 1082    H    PHE 137           H        PHE 137 -10.620 -11.626  -4.700
 1083    HA   PHE 137           HA       PHE 137  -8.117 -11.854  -3.849
 1084   1HB   PHE 137          2HB       PHE 137 -10.559 -12.393  -2.716
 1085   2HB   PHE 137          1HB       PHE 137  -9.740 -13.941  -2.599
 1086    HD1  PHE 137           1HD      PHE 137  -8.651 -10.401  -2.174
 1087    HD2  PHE 137           2HD      PHE 137  -8.953 -14.291  -0.477
 1088    HE1  PHE 137           1HE      PHE 137  -7.465  -9.613  -0.168
 1089    HE2  PHE 137           2HE      PHE 137  -7.772 -13.509   1.531
 1090    HZ   PHE 137           HZ       PHE 137  -7.070 -11.184   1.720
 1091    HA   PRO 138           HA       PRO 138  -5.836 -15.374  -5.231
 1092   1HB   PRO 138          2HB       PRO 138  -5.352 -15.756  -2.283
 1093   2HB   PRO 138          1HB       PRO 138  -4.177 -15.715  -3.604
 1094   1HG   PRO 138          2HG       PRO 138  -4.409 -13.616  -2.080
 1095   2HG   PRO 138          1HG       PRO 138  -4.352 -13.387  -3.836
 1096   1HD   PRO 138          2HD       PRO 138  -6.738 -13.355  -2.005
 1097   2HD   PRO 138          1HD       PRO 138  -6.328 -12.244  -3.329
 1098    H    ASP 139           H        ASP 139  -8.184 -15.513  -2.713
 1099    HA   ASP 139           HA       ASP 139  -8.635 -18.389  -3.109
 1100   1HB   ASP 139          2HB       ASP 139  -9.557 -16.509  -0.923
 1101   2HB   ASP 139          1HB       ASP 139 -10.045 -18.195  -1.045
 1102    H    GLY 140           H        GLY 140 -10.177 -15.216  -3.226
 1103   1HA   GLY 140          2HA       GLY 140 -11.781 -15.240  -5.262
 1104   2HA   GLY 140          1HA       GLY 140 -12.632 -16.437  -4.300
 1105    H    GLU 141           H        GLU 141 -11.342 -13.124  -4.023
 1106    HA   GLU 141           HA       GLU 141 -13.853 -12.078  -3.162
 1107   1HB   GLU 141          2HB       GLU 141 -11.651 -12.417  -1.164
 1108   2HB   GLU 141          1HB       GLU 141 -12.821 -11.119  -1.002
 1109   1HG   GLU 141          2HG       GLU 141 -13.442 -14.055  -1.053
 1110   2HG   GLU 141          1HG       GLU 141 -13.413 -13.027   0.372
 1111    H    MET 142           H        MET 142 -14.002 -10.053  -3.991
 1112    HA   MET 142           HA       MET 142 -11.707  -8.746  -5.011
 1113   1HB   MET 142          2HB       MET 142 -14.557  -7.891  -4.661
 1114   2HB   MET 142          1HB       MET 142 -13.328  -6.776  -5.237
 1115   1HG   MET 142          2HG       MET 142 -14.531  -7.725  -7.089
 1116   2HG   MET 142          1HG       MET 142 -12.861  -8.283  -7.108
 1117   1HE   MET 142          1HE       MET 142 -15.457 -10.123  -8.745
 1118   2HE   MET 142          2HE       MET 142 -14.224 -11.375  -8.596
 1119   3HE   MET 142          3HE       MET 142 -13.751  -9.702  -8.891
 1120    H    LEU 143           H        LEU 143 -10.922  -6.679  -4.310
 1121    HA   LEU 143           HA       LEU 143  -9.868  -6.533  -1.848
 1122   1HB   LEU 143          2HB       LEU 143 -10.927  -4.298  -3.562
 1123   2HB   LEU 143          1HB       LEU 143  -9.957  -4.013  -2.142
 1124    HG   LEU 143           HG       LEU 143  -8.520  -3.804  -3.951
 1125   1HD1  LEU 143          1HD1      LEU 143  -7.566  -6.483  -3.620
 1126   2HD1  LEU 143          2HD1      LEU 143  -8.163  -5.871  -2.077
 1127   3HD1  LEU 143          3HD1      LEU 143  -6.922  -4.981  -2.958
 1128   1HD2  LEU 143          1HD2      LEU 143  -9.013  -6.486  -5.103
 1129   2HD2  LEU 143          2HD2      LEU 143  -8.563  -4.973  -5.893
 1130   3HD2  LEU 143          3HD2      LEU 143 -10.231  -5.245  -5.388
 1131    H    ARG 144           H        ARG 144 -12.397  -4.329  -2.605
 1132    HA   ARG 144           HA       ARG 144 -13.113  -3.622  -0.074
 1133   1HB   ARG 144          2HB       ARG 144 -13.513  -2.223  -1.944
 1134   2HB   ARG 144          1HB       ARG 144 -14.587  -3.407  -2.671
 1135   1HG   ARG 144          2HG       ARG 144 -16.113  -3.118  -0.721
 1136   2HG   ARG 144          1HG       ARG 144 -15.069  -1.818  -0.159
 1137   1HD   ARG 144          2HD       ARG 144 -16.946  -0.881  -1.348
 1138   2HD   ARG 144          1HD       ARG 144 -15.471  -0.618  -2.273
 1139    HE   ARG 144           HE       ARG 144 -16.626  -2.976  -3.196
 1140   1HH1  ARG 144          1HH1      ARG 144 -17.365   0.427  -3.072
 1141   2HH1  ARG 144          2HH1      ARG 144 -18.318   0.408  -4.518
 1142   1HH2  ARG 144          1HH2      ARG 144 -17.885  -3.012  -5.106
 1143   2HH2  ARG 144          2HH2      ARG 144 -18.613  -1.545  -5.674
 1144    H    GLN 145           H        GLN 145 -14.178  -6.495  -1.755
 1145    HA   GLN 145           HA       GLN 145 -16.690  -6.845  -0.559
 1146   1HB   GLN 145          2HB       GLN 145 -14.768  -9.142  -0.823
 1147   2HB   GLN 145          1HB       GLN 145 -16.516  -9.137  -1.022
 1148   1HG   GLN 145          2HG       GLN 145 -14.575  -7.779  -2.838
 1149   2HG   GLN 145          1HG       GLN 145 -15.288  -9.371  -3.133
 1150   1HE2  GLN 145          1HE2      GLN 145 -15.604  -6.054  -3.446
 1151   2HE2  GLN 145          2HE2      GLN 145 -17.204  -6.010  -4.068
 1152    H    ILE 146           H        ILE 146 -13.570  -8.122   0.503
 1153    HA   ILE 146           HA       ILE 146 -14.415  -9.020   3.002
 1154    HB   ILE 146           HB       ILE 146 -11.638  -8.010   2.417
 1155   1HG1  ILE 146          2HG1      ILE 146 -12.878 -10.681   1.702
 1156   2HG1  ILE 146          1HG1      ILE 146 -12.318  -9.454   0.569
 1157   1HG2  ILE 146          1HG2      ILE 146 -11.955  -8.581   4.708
 1158   2HG2  ILE 146          2HG2      ILE 146 -11.058  -9.903   3.962
 1159   3HG2  ILE 146          3HG2      ILE 146 -12.784 -10.079   4.283
 1160   1HD1  ILE 146          1HD1      ILE 146 -10.243 -10.260   2.419
 1161   2HD1  ILE 146          2HD1      ILE 146 -10.233 -10.198   0.656
 1162   3HD1  ILE 146          3HD1      ILE 146 -10.883 -11.612   1.486
 1163    H    LEU 147           H        LEU 147 -13.469  -5.831   1.865
 1164    HA   LEU 147           HA       LEU 147 -13.114  -4.703   4.492
 1165   1HB   LEU 147          2HB       LEU 147 -13.945  -3.164   2.062
 1166   2HB   LEU 147          1HB       LEU 147 -13.005  -2.611   3.431
 1167    HG   LEU 147           HG       LEU 147 -12.034  -4.588   1.385
 1168   1HD1  LEU 147          1HD1      LEU 147 -10.675  -2.100   1.356
 1169   2HD1  LEU 147          2HD1      LEU 147 -12.408  -1.791   1.241
 1170   3HD1  LEU 147          3HD1      LEU 147 -11.622  -2.856   0.076
 1171   1HD2  LEU 147          1HD2      LEU 147  -9.834  -3.603   2.516
 1172   2HD2  LEU 147          2HD2      LEU 147 -10.669  -5.018   3.156
 1173   3HD2  LEU 147          3HD2      LEU 147 -10.934  -3.433   3.884
 1174    H    HIS 148           H        HIS 148 -15.569  -4.140   2.044
 1175    HA   HIS 148           HA       HIS 148 -17.360  -2.650   3.432
 1176   1HB   HIS 148          2HB       HIS 148 -17.358  -3.413   0.979
 1177   2HB   HIS 148          1HB       HIS 148 -18.270  -4.807   1.549
 1178    HD1  HIS 148           1HD      HIS 148 -19.948  -3.399  -0.273
 1179    HD2  HIS 148           2HD      HIS 148 -19.519  -2.007   3.621
 1180    HE1  HIS 148           1HE      HIS 148 -21.948  -1.929   0.137
 1181    HE2  HIS 148           2HE      HIS 148 -21.692  -1.128   2.513
 1182    H    THR 149           H        THR 149 -16.625  -5.951   3.922
 1183    HA   THR 149           HA       THR 149 -19.018  -6.249   5.600
 1184    HB   THR 149           HB       THR 149 -18.935  -8.597   5.187
 1185    HG1  THR 149           1HG      THR 149 -16.328  -8.034   4.473
 1186   1HG2  THR 149          1HG2      THR 149 -18.137  -7.787   2.460
 1187   2HG2  THR 149          2HG2      THR 149 -19.479  -6.900   3.183
 1188   3HG2  THR 149          3HG2      THR 149 -19.571  -8.652   3.021
 1189    H    ARG 150           H        ARG 150 -15.493  -6.374   5.612
 1190    HA   ARG 150           HA       ARG 150 -15.656  -7.262   8.420
 1191   1HB   ARG 150          2HB       ARG 150 -13.444  -7.704   6.433
 1192   2HB   ARG 150          1HB       ARG 150 -13.329  -8.100   8.145
 1193   1HG   ARG 150          2HG       ARG 150 -15.327  -9.253   6.207
 1194   2HG   ARG 150          1HG       ARG 150 -13.874 -10.061   6.802
 1195   1HD   ARG 150          2HD       ARG 150 -14.727 -10.011   9.060
 1196   2HD   ARG 150          1HD       ARG 150 -16.129  -9.077   8.546
 1197    HE   ARG 150           HE       ARG 150 -17.125 -11.056   8.063
 1198   1HH1  ARG 150          1HH1      ARG 150 -13.684 -11.500   7.688
 1199   2HH1  ARG 150          2HH1      ARG 150 -13.823 -13.170   7.256
 1200   1HH2  ARG 150          1HH2      ARG 150 -17.310 -13.246   7.495
 1201   2HH2  ARG 150          2HH2      ARG 150 -15.883 -14.165   7.147
 1202    H    ALA 151           H        ALA 151 -14.805  -4.488   6.608
 1203    HA   ALA 151           HA       ALA 151 -13.418  -3.494   8.990
 1204   1HB   ALA 151          1HB       ALA 151 -12.203  -3.961   6.434
 1205   2HB   ALA 151          2HB       ALA 151 -11.466  -3.442   7.950
 1206   3HB   ALA 151          3HB       ALA 151 -12.137  -2.247   6.842
 1207    H    PHE 152           H        PHE 152 -13.924  -2.026   5.801
 1208    HA   PHE 152           HA       PHE 152 -15.742  -0.102   7.077
 1209   1HB   PHE 152          2HB       PHE 152 -13.379   0.472   5.305
 1210   2HB   PHE 152          1HB       PHE 152 -14.666   1.629   5.575
 1211    HD1  PHE 152           1HD      PHE 152 -14.466   3.144   7.303
 1212    HD2  PHE 152           2HD      PHE 152 -12.270  -0.497   7.471
 1213    HE1  PHE 152           1HE      PHE 152 -13.325   3.930   9.336
 1214    HE2  PHE 152           2HE      PHE 152 -11.128   0.281   9.506
 1215    HZ   PHE 152           HZ       PHE 152 -11.656   2.498  10.441
 1216    H    ASP 153           H        ASP 153 -16.977   1.199   5.472
 1217    HA   ASP 153           HA       ASP 153 -18.111  -0.594   3.520
 1218   1HB   ASP 153          2HB       ASP 153 -19.789   1.196   3.195
 1219   2HB   ASP 153          1HB       ASP 153 -19.614   0.732   4.885
 1220    H    LYS 154           H        LYS 154 -15.976   2.182   3.495
 1221    HA   LYS 154           HA       LYS 154 -15.234   1.718   0.807
 1222   1HB   LYS 154          2HB       LYS 154 -17.323   2.657   0.172
 1223   2HB   LYS 154          1HB       LYS 154 -17.147   3.992   1.304
 1224   1HG   LYS 154          2HG       LYS 154 -15.184   4.759  -0.043
 1225   2HG   LYS 154          1HG       LYS 154 -15.598   3.525  -1.231
 1226   1HD   LYS 154          2HD       LYS 154 -16.479   5.729  -1.838
 1227   2HD   LYS 154          1HD       LYS 154 -17.770   4.553  -1.578
 1228   1HE   LYS 154          2HE       LYS 154 -18.136   5.464   0.667
 1229   2HE   LYS 154          1HE       LYS 154 -16.836   6.626   0.408
 1230   1HZ   LYS 154          1HZ       LYS 154 -19.478   6.510  -0.914
 1231   2HZ   LYS 154          2HZ       LYS 154 -18.196   7.398  -1.570
 1232   3HZ   LYS 154          3HZ       LYS 154 -18.796   7.786  -0.036
 1233    H    LEU 155           H        LEU 155 -15.697   4.899   2.175
 1234    HA   LEU 155           HA       LEU 155 -14.180   6.258   3.383
 1235   1HB   LEU 155          2HB       LEU 155 -11.987   4.709   1.994
 1236   2HB   LEU 155          1HB       LEU 155 -11.749   6.064   3.076
 1237    HG   LEU 155           HG       LEU 155 -12.715   3.300   3.769
 1238   1HD1  LEU 155          1HD1      LEU 155 -10.363   4.946   4.674
 1239   2HD1  LEU 155          2HD1      LEU 155 -10.319   3.552   3.595
 1240   3HD1  LEU 155          3HD1      LEU 155 -10.788   3.347   5.283
 1241   1HD2  LEU 155          1HD2      LEU 155 -14.118   4.812   5.009
 1242   2HD2  LEU 155          2HD2      LEU 155 -12.723   5.787   5.478
 1243   3HD2  LEU 155          3HD2      LEU 155 -12.904   4.146   6.102
 1244    H    ASN 156           H        ASN 156 -13.114   8.190   2.587
 1245    HA   ASN 156           HA       ASN 156 -13.616   8.574  -0.284
 1246   1HB   ASN 156          2HB       ASN 156 -13.726  10.501   2.029
 1247   2HB   ASN 156          1HB       ASN 156 -13.739  11.031   0.349
 1248   1HD2  ASN 156          1HD2      ASN 156 -15.649  10.412   2.901
 1249   2HD2  ASN 156          2HD2      ASN 156 -17.123  10.022   2.090
 1250    H    LYS 157           H        LYS 157 -12.221  10.083  -1.419
 1251    HA   LYS 157           HA       LYS 157  -9.490   9.468  -1.015
 1252   1HB   LYS 157          2HB       LYS 157 -10.745  11.588  -2.768
 1253   2HB   LYS 157          1HB       LYS 157  -9.057  11.106  -2.819
 1254   1HG   LYS 157          2HG       LYS 157 -10.126  10.020  -4.617
 1255   2HG   LYS 157          1HG       LYS 157  -9.842   8.787  -3.388
 1256   1HD   LYS 157          2HD       LYS 157 -12.153   8.931  -2.668
 1257   2HD   LYS 157          1HD       LYS 157 -12.450  10.250  -3.801
 1258   1HE   LYS 157          2HE       LYS 157 -11.968   8.750  -5.672
 1259   2HE   LYS 157          1HE       LYS 157 -11.659   7.434  -4.539
 1260   1HZ   LYS 157          1HZ       LYS 157 -14.038   7.935  -3.741
 1261   2HZ   LYS 157          2HZ       LYS 157 -13.830   7.073  -5.179
 1262   3HZ   LYS 157          3HZ       LYS 157 -14.219   8.717  -5.230
 1263    H    TRP 158           H        TRP 158  -8.701  10.143   0.907
 1264    HA   TRP 158           HA       TRP 158  -7.996  11.521   2.573
 1265   1HB   TRP 158          2HB       TRP 158  -6.455  12.141   0.763
 1266   2HB   TRP 158          1HB       TRP 158  -7.593  13.358   0.198
 1267    HD1  TRP 158           HD       TRP 158  -6.769  15.681   0.821
 1268    HE1  TRP 158           1HE      TRP 158  -5.567  16.749   2.827
 1269    HE3  TRP 158           3HE      TRP 158  -6.177  11.515   3.725
 1270    HZ2  TRP 158           2HZ      TRP 158  -4.505  15.937   5.312
 1271    HZ3  TRP 158           3HZ      TRP 158  -5.054  11.747   5.902
 1272    HH2  TRP 158           HH       TRP 158  -4.236  13.913   6.677
  Start of MODEL    6
    1   1H    THR   1          1HT       THR   1   4.387 -10.820 -14.788
    2   2H    THR   1          2HT       THR   1   4.835  -9.313 -14.167
    3   3H    THR   1          3HT       THR   1   3.514  -9.435 -15.216
    4    HA   THR   1           HA       THR   1   2.232 -10.619 -13.627
    5    HB   THR   1           HB       THR   1   4.746 -10.511 -11.942
    6    HG1  THR   1           1HG      THR   1   3.426 -12.645 -13.253
    7   1HG2  THR   1          1HG2      THR   1   2.916 -10.406 -10.440
    8   2HG2  THR   1          2HG2      THR   1   3.494 -12.073 -10.450
    9   3HG2  THR   1          3HG2      THR   1   2.030 -11.641 -11.335
   10    H    VAL   2           H        VAL   2   0.801  -9.134 -13.015
   11    HA   VAL   2           HA       VAL   2   1.686  -6.493 -12.228
   12    HB   VAL   2           HB       VAL   2  -0.172  -6.604 -13.749
   13   1HG1  VAL   2          1HG1      VAL   2  -0.925  -8.883 -12.727
   14   2HG1  VAL   2          2HG1      VAL   2  -2.110  -7.809 -13.471
   15   3HG1  VAL   2          3HG1      VAL   2  -1.952  -7.864 -11.716
   16   1HG2  VAL   2          1HG2      VAL   2  -0.312  -4.699 -12.394
   17   2HG2  VAL   2          2HG2      VAL   2  -0.836  -5.629 -10.990
   18   3HG2  VAL   2          3HG2      VAL   2  -1.933  -5.393 -12.351
   19    H    ALA   3           H        ALA   3   2.431  -6.382 -10.202
   20    HA   ALA   3           HA       ALA   3   1.238  -7.867  -8.041
   21   1HB   ALA   3          1HB       ALA   3   3.073  -7.283  -6.813
   22   2HB   ALA   3          2HB       ALA   3   3.178  -5.676  -7.531
   23   3HB   ALA   3          3HB       ALA   3   3.736  -7.085  -8.434
   24    H    TYR   4           H        TYR   4  -0.454  -7.213  -6.851
   25    HA   TYR   4           HA       TYR   4  -1.329  -4.444  -7.090
   26   1HB   TYR   4          2HB       TYR   4  -2.650  -6.810  -5.742
   27   2HB   TYR   4          1HB       TYR   4  -3.365  -5.210  -5.919
   28    HD1  TYR   4           1HD      TYR   4  -2.179  -8.169  -7.804
   29    HD2  TYR   4           2HD      TYR   4  -4.437  -4.566  -7.931
   30    HE1  TYR   4           1HE      TYR   4  -3.082  -8.819  -9.997
   31    HE2  TYR   4           2HE      TYR   4  -5.346  -5.207 -10.124
   32    HH   TYR   4           HH       TYR   4  -5.118  -8.309 -11.377
   33    H    ILE   5           H        ILE   5   0.195  -3.385  -5.949
   34    HA   ILE   5           HA       ILE   5   0.513  -3.974  -3.089
   35    HB   ILE   5           HB       ILE   5   2.340  -2.014  -3.626
   36   1HG1  ILE   5          2HG1      ILE   5   2.312  -3.777  -6.072
   37   2HG1  ILE   5          1HG1      ILE   5   1.575  -2.182  -6.034
   38   1HG2  ILE   5          1HG2      ILE   5   3.937  -3.636  -3.288
   39   2HG2  ILE   5          2HG2      ILE   5   3.071  -4.843  -4.239
   40   3HG2  ILE   5          3HG2      ILE   5   2.504  -4.422  -2.623
   41   1HD1  ILE   5          1HD1      ILE   5   4.082  -2.638  -6.833
   42   2HD1  ILE   5          2HD1      ILE   5   4.369  -2.357  -5.116
   43   3HD1  ILE   5          3HD1      ILE   5   3.567  -1.125  -6.089
   44    H    ALA   6           H        ALA   6  -0.033  -2.532  -1.540
   45    HA   ALA   6           HA       ALA   6  -1.392  -0.083  -2.417
   46   1HB   ALA   6          1HB       ALA   6  -2.992  -0.629  -0.986
   47   2HB   ALA   6          2HB       ALA   6  -1.835  -0.618   0.345
   48   3HB   ALA   6          3HB       ALA   6  -2.110  -2.099  -0.572
   49    H    ILE   7           H        ILE   7  -0.637   1.861  -1.883
   50    HA   ILE   7           HA       ILE   7   1.812   2.007  -0.281
   51    HB   ILE   7           HB       ILE   7   0.553   4.054  -2.112
   52   1HG1  ILE   7          2HG1      ILE   7   3.037   2.354  -2.442
   53   2HG1  ILE   7          1HG1      ILE   7   1.516   2.127  -3.300
   54   1HG2  ILE   7          1HG2      ILE   7   2.480   5.420  -1.759
   55   2HG2  ILE   7          2HG2      ILE   7   3.252   4.174  -0.779
   56   3HG2  ILE   7          3HG2      ILE   7   1.816   5.005  -0.178
   57   1HD1  ILE   7          1HD1      ILE   7   3.614   4.192  -3.669
   58   2HD1  ILE   7          2HD1      ILE   7   1.940   4.618  -4.023
   59   3HD1  ILE   7          3HD1      ILE   7   2.706   3.271  -4.867
   60    H    GLY   8           H        GLY   8   1.841   2.880   1.688
   61   1HA   GLY   8          2HA       GLY   8  -0.522   4.429   2.562
   62   2HA   GLY   8          1HA       GLY   8   0.370   3.343   3.619
   63    H    SER   9           H        SER   9  -0.189   6.456   3.247
   64    HA   SER   9           HA       SER   9   2.459   7.207   4.246
   65   1HB   SER   9          2HB       SER   9   2.527   9.204   2.823
   66   2HB   SER   9          1HB       SER   9   2.471   7.739   1.846
   67    HG   SER   9           HG       SER   9   0.285   9.441   2.456
   68    H    ASN  10           H        ASN  10   2.437   9.535   5.020
   69    HA   ASN  10           HA       ASN  10  -0.033  10.698   5.836
   70   1HB   ASN  10          2HB       ASN  10   0.395  10.474   8.300
   71   2HB   ASN  10          1HB       ASN  10  -0.043   8.963   7.505
   72   1HD2  ASN  10          1HD2      ASN  10   1.047   7.334   8.286
   73   2HD2  ASN  10          2HD2      ASN  10   2.705   7.346   8.766
   74    H    LEU  11           H        LEU  11   1.560  11.717   8.326
   75    HA   LEU  11           HA       LEU  11   2.937  13.461   8.835
   76   1HB   LEU  11          2HB       LEU  11   4.677  12.157   7.731
   77   2HB   LEU  11          1HB       LEU  11   4.172  12.758   6.166
   78    HG   LEU  11           HG       LEU  11   5.152  14.667   8.259
   79   1HD1  LEU  11          1HD1      LEU  11   7.377  14.367   6.900
   80   2HD1  LEU  11          2HD1      LEU  11   6.743  12.742   6.638
   81   3HD1  LEU  11          3HD1      LEU  11   7.015  13.330   8.279
   82   1HD2  LEU  11          1HD2      LEU  11   4.080  15.126   5.849
   83   2HD2  LEU  11          2HD2      LEU  11   5.767  14.916   5.381
   84   3HD2  LEU  11          3HD2      LEU  11   5.326  16.153   6.558
   85    H    ALA  12           H        ALA  12   3.109  15.726   8.484
   86    HA   ALA  12           HA       ALA  12   0.971  17.040   7.427
   87   1HB   ALA  12          1HB       ALA  12   2.349  18.346   8.762
   88   2HB   ALA  12          2HB       ALA  12   2.629  19.018   7.156
   89   3HB   ALA  12          3HB       ALA  12   3.803  17.910   7.864
   90    H    SER  13           H        SER  13   0.166  16.769   5.439
   91    HA   SER  13           HA       SER  13  -0.038  16.847   3.172
   92   1HB   SER  13          2HB       SER  13   1.187  18.977   3.249
   93   2HB   SER  13          1HB       SER  13   2.720  18.108   3.255
   94    HG   SER  13           HG       SER  13   2.312  17.403   1.185
   95    HA   PRO  14           HA       PRO  14   2.253  12.771   3.428
   96   1HB   PRO  14          2HB       PRO  14  -0.223  12.158   1.876
   97   2HB   PRO  14          1HB       PRO  14   0.582  11.212   3.132
   98   1HG   PRO  14          2HG       PRO  14  -1.621  12.582   3.694
   99   2HG   PRO  14          1HG       PRO  14  -0.279  12.513   4.851
  100   1HD   PRO  14          2HD       PRO  14  -1.121  14.739   3.054
  101   2HD   PRO  14          1HD       PRO  14  -0.425  14.805   4.684
  102    H    LEU  15           H        LEU  15   1.130  14.796   0.867
  103    HA   LEU  15           HA       LEU  15   1.700  13.396  -1.413
  104   1HB   LEU  15          2HB       LEU  15   0.786  15.647  -1.442
  105   2HB   LEU  15          1HB       LEU  15   2.301  16.297  -0.848
  106    HG   LEU  15           HG       LEU  15   3.417  15.635  -2.932
  107   1HD1  LEU  15          1HD1      LEU  15   2.320  14.632  -4.737
  108   2HD1  LEU  15          2HD1      LEU  15   0.723  14.924  -4.047
  109   3HD1  LEU  15          3HD1      LEU  15   1.785  13.710  -3.332
  110   1HD2  LEU  15          1HD2      LEU  15   2.512  17.861  -2.807
  111   2HD2  LEU  15          2HD2      LEU  15   0.914  17.280  -3.277
  112   3HD2  LEU  15          3HD2      LEU  15   2.247  17.224  -4.431
  113    H    GLU  16           H        GLU  16   3.997  14.808   0.845
  114    HA   GLU  16           HA       GLU  16   6.276  14.544  -0.823
  115   1HB   GLU  16          2HB       GLU  16   6.233  16.040   1.120
  116   2HB   GLU  16          1HB       GLU  16   6.113  14.652   2.193
  117   1HG   GLU  16          2HG       GLU  16   8.306  13.884   1.466
  118   2HG   GLU  16          1HG       GLU  16   8.426  15.252   0.361
  119    H    GLN  17           H        GLN  17   5.194  12.558   1.944
  120    HA   GLN  17           HA       GLN  17   7.151  10.560   1.559
  121   1HB   GLN  17          2HB       GLN  17   4.675  10.808   3.197
  122   2HB   GLN  17          1HB       GLN  17   5.385   9.210   2.995
  123   1HG   GLN  17          2HG       GLN  17   6.143  10.353   5.033
  124   2HG   GLN  17          1HG       GLN  17   7.464   9.965   3.934
  125   1HE2  GLN  17          1HE2      GLN  17   8.895  11.500   3.701
  126   2HE2  GLN  17          2HE2      GLN  17   8.615  13.198   3.857
  127    H    VAL  18           H        VAL  18   3.655  10.498   0.816
  128    HA   VAL  18           HA       VAL  18   3.477   7.999  -0.305
  129    HB   VAL  18           HB       VAL  18   1.532   9.495   0.016
  130   1HG1  VAL  18          1HG1      VAL  18   2.931  11.366  -1.334
  131   2HG1  VAL  18          2HG1      VAL  18   1.181  11.410  -1.114
  132   3HG1  VAL  18          3HG1      VAL  18   1.866  10.778  -2.612
  133   1HG2  VAL  18          1HG2      VAL  18   1.782   7.495  -1.738
  134   2HG2  VAL  18          2HG2      VAL  18   1.379   8.797  -2.857
  135   3HG2  VAL  18          3HG2      VAL  18   0.283   8.402  -1.533
  136    H    ASN  19           H        ASN  19   4.812  10.915  -1.734
  137    HA   ASN  19           HA       ASN  19   5.034   9.836  -4.374
  138   1HB   ASN  19          2HB       ASN  19   6.237  12.250  -3.030
  139   2HB   ASN  19          1HB       ASN  19   6.621  11.810  -4.692
  140   1HD2  ASN  19          1HD2      ASN  19   3.542  10.802  -4.240
  141   2HD2  ASN  19          2HD2      ASN  19   2.690  12.198  -4.792
  142    H    ALA  20           H        ALA  20   7.080   9.891  -1.530
  143    HA   ALA  20           HA       ALA  20   9.536   9.282  -2.712
  144   1HB   ALA  20          1HB       ALA  20   9.739   7.986  -0.356
  145   2HB   ALA  20          2HB       ALA  20   8.365   9.038  -0.018
  146   3HB   ALA  20          3HB       ALA  20   9.903   9.733  -0.530
  147    H    ALA  21           H        ALA  21   6.816   7.248  -1.845
  148    HA   ALA  21           HA       ALA  21   8.229   4.812  -2.535
  149   1HB   ALA  21          1HB       ALA  21   6.010   3.730  -2.143
  150   2HB   ALA  21          2HB       ALA  21   5.346   5.324  -1.781
  151   3HB   ALA  21          3HB       ALA  21   6.611   4.641  -0.759
  152    H    LEU  22           H        LEU  22   6.240   7.204  -3.916
  153    HA   LEU  22           HA       LEU  22   5.286   5.753  -6.171
  154   1HB   LEU  22          2HB       LEU  22   4.000   7.610  -5.634
  155   2HB   LEU  22          1HB       LEU  22   5.400   8.621  -5.335
  156    HG   LEU  22           HG       LEU  22   5.834   8.689  -7.758
  157   1HD1  LEU  22          1HD1      LEU  22   3.605   6.777  -7.766
  158   2HD1  LEU  22          2HD1      LEU  22   4.925   6.990  -8.917
  159   3HD1  LEU  22          3HD1      LEU  22   3.511   8.041  -8.992
  160   1HD2  LEU  22          1HD2      LEU  22   3.286   9.773  -8.055
  161   2HD2  LEU  22          2HD2      LEU  22   4.742  10.608  -7.513
  162   3HD2  LEU  22          3HD2      LEU  22   3.640   9.898  -6.332
  163    H    LYS  23           H        LYS  23   8.205   7.453  -5.368
  164    HA   LYS  23           HA       LYS  23   9.140   7.741  -8.069
  165   1HB   LYS  23          2HB       LYS  23  10.720   7.831  -5.489
  166   2HB   LYS  23          1HB       LYS  23  11.266   8.394  -7.059
  167   1HG   LYS  23          2HG       LYS  23   9.047   9.561  -5.396
  168   2HG   LYS  23          1HG       LYS  23  10.630  10.272  -5.703
  169   1HD   LYS  23          2HD       LYS  23   8.546   9.697  -7.806
  170   2HD   LYS  23          1HD       LYS  23   8.845  11.276  -7.081
  171   1HE   LYS  23          2HE       LYS  23  10.824   9.655  -8.681
  172   2HE   LYS  23          1HE       LYS  23   9.944  11.070  -9.255
  173   1HZ   LYS  23          1HZ       LYS  23  12.083  10.941  -7.220
  174   2HZ   LYS  23          2HZ       LYS  23  11.037  12.267  -7.312
  175   3HZ   LYS  23          3HZ       LYS  23  12.023  11.875  -8.630
  176    H    ALA  24           H        ALA  24   9.881   5.588  -5.343
  177    HA   ALA  24           HA       ALA  24  11.718   3.956  -6.748
  178   1HB   ALA  24          1HB       ALA  24  11.970   2.949  -4.764
  179   2HB   ALA  24          2HB       ALA  24  10.247   2.590  -4.635
  180   3HB   ALA  24          3HB       ALA  24  10.859   4.167  -4.132
  181    H    LEU  25           H        LEU  25   8.234   3.783  -6.232
  182    HA   LEU  25           HA       LEU  25   8.002   1.279  -7.644
  183   1HB   LEU  25          2HB       LEU  25   6.463   1.972  -5.772
  184   2HB   LEU  25          1HB       LEU  25   5.793   3.177  -6.860
  185    HG   LEU  25           HG       LEU  25   5.070   1.378  -8.385
  186   1HD1  LEU  25          1HD1      LEU  25   5.338  -0.882  -7.903
  187   2HD1  LEU  25          2HD1      LEU  25   5.781  -0.569  -6.225
  188   3HD1  LEU  25          3HD1      LEU  25   6.910  -0.181  -7.522
  189   1HD2  LEU  25          1HD2      LEU  25   4.181   1.333  -5.515
  190   2HD2  LEU  25          2HD2      LEU  25   3.385   0.370  -6.759
  191   3HD2  LEU  25          3HD2      LEU  25   3.417   2.129  -6.891
  192    H    GLY  26           H        GLY  26   8.236   4.556  -8.455
  193   1HA   GLY  26          2HA       GLY  26   6.681   4.441 -10.883
  194   2HA   GLY  26          1HA       GLY  26   7.748   5.750 -10.379
  195    H    ASP  27           H        ASP  27  10.031   4.200  -9.904
  196    HA   ASP  27           HA       ASP  27  10.666   3.120 -12.554
  197   1HB   ASP  27          2HB       ASP  27  12.296   5.074 -10.933
  198   2HB   ASP  27          1HB       ASP  27  12.921   4.181 -12.309
  199    H    ILE  28           H        ILE  28  10.767   1.041 -12.012
  200    HA   ILE  28           HA       ILE  28  12.569   0.220  -9.830
  201    HB   ILE  28           HB       ILE  28  10.448  -1.505 -11.096
  202   1HG1  ILE  28          2HG1      ILE  28  10.195   0.316  -8.692
  203   2HG1  ILE  28          1HG1      ILE  28   9.292   0.430 -10.198
  204   1HG2  ILE  28          1HG2      ILE  28  11.993  -1.669  -8.523
  205   2HG2  ILE  28          2HG2      ILE  28  12.043  -2.782  -9.890
  206   3HG2  ILE  28          3HG2      ILE  28  10.596  -2.682  -8.886
  207   1HD1  ILE  28          1HD1      ILE  28   8.730  -1.094  -7.833
  208   2HD1  ILE  28          2HD1      ILE  28   8.804  -2.142  -9.250
  209   3HD1  ILE  28          3HD1      ILE  28   7.705  -0.763  -9.229
  210    HA   PRO  29           HA       PRO  29  15.740  -1.578 -12.377
  211   1HB   PRO  29          2HB       PRO  29  14.445  -4.083 -11.329
  212   2HB   PRO  29          1HB       PRO  29  16.154  -3.752 -11.601
  213   1HG   PRO  29          2HG       PRO  29  15.020  -3.473  -9.170
  214   2HG   PRO  29          1HG       PRO  29  16.347  -2.437  -9.721
  215   1HD   PRO  29          2HD       PRO  29  13.577  -1.729  -9.208
  216   2HD   PRO  29          1HD       PRO  29  14.946  -0.661  -9.575
  217    H    GLU  30           H        GLU  30  12.600  -3.313 -12.497
  218    HA   GLU  30           HA       GLU  30  12.730  -3.185 -15.420
  219   1HB   GLU  30          2HB       GLU  30  12.192  -5.713 -13.857
  220   2HB   GLU  30          1HB       GLU  30  12.003  -5.545 -15.596
  221   1HG   GLU  30          2HG       GLU  30  14.385  -5.079 -15.818
  222   2HG   GLU  30          1HG       GLU  30  14.580  -5.231 -14.073
  223    H    SER  31           H        SER  31  10.877  -3.415 -12.495
  224    HA   SER  31           HA       SER  31   8.321  -3.835 -13.572
  225   1HB   SER  31          2HB       SER  31   8.890  -4.032 -11.173
  226   2HB   SER  31          1HB       SER  31   9.055  -2.280 -11.089
  227    HG   SER  31           HG       SER  31   6.892  -3.595 -10.687
  228    H    HIS  32           H        HIS  32   6.515  -2.054 -13.187
  229    HA   HIS  32           HA       HIS  32   7.265   0.641 -13.766
  230   1HB   HIS  32          2HB       HIS  32   7.649  -0.338 -15.974
  231   2HB   HIS  32          1HB       HIS  32   6.001  -0.949 -16.006
  232    HD1  HIS  32           1HD      HIS  32   4.113   1.037 -15.916
  233    HD2  HIS  32           2HD      HIS  32   7.953   2.113 -17.074
  234    HE1  HIS  32           1HE      HIS  32   3.868   3.255 -17.080
  235    HE2  HIS  32           2HE      HIS  32   6.200   3.865 -17.812
  236    H    ILE  33           H        ILE  33   5.712   2.023 -13.248
  237    HA   ILE  33           HA       ILE  33   3.449   1.165 -11.816
  238    HB   ILE  33           HB       ILE  33   4.766   3.661 -12.475
  239   1HG1  ILE  33          2HG1      ILE  33   4.748   2.545 -10.266
  240   2HG1  ILE  33          1HG1      ILE  33   4.167   4.205 -10.184
  241   1HG2  ILE  33          1HG2      ILE  33   1.787   3.844 -12.046
  242   2HG2  ILE  33          2HG2      ILE  33   2.593   4.102 -13.592
  243   3HG2  ILE  33          3HG2      ILE  33   2.922   5.179 -12.236
  244   1HD1  ILE  33          1HD1      ILE  33   1.930   2.541 -10.618
  245   2HD1  ILE  33          2HD1      ILE  33   2.335   3.492  -9.188
  246   3HD1  ILE  33          3HD1      ILE  33   2.894   1.825  -9.327
  247    H    LEU  34           H        LEU  34   1.228   1.444 -12.202
  248    HA   LEU  34           HA       LEU  34   0.386   2.058 -14.929
  249   1HB   LEU  34          2HB       LEU  34  -0.244  -0.522 -13.505
  250   2HB   LEU  34          1HB       LEU  34  -1.123   0.046 -14.912
  251    HG   LEU  34           HG       LEU  34   1.815  -0.650 -14.826
  252   1HD1  LEU  34          1HD1      LEU  34   0.669  -2.676 -14.782
  253   2HD1  LEU  34          2HD1      LEU  34   0.968  -2.402 -16.498
  254   3HD1  LEU  34          3HD1      LEU  34  -0.627  -2.076 -15.817
  255   1HD2  LEU  34          1HD2      LEU  34   0.088   0.185 -17.155
  256   2HD2  LEU  34          2HD2      LEU  34   1.783  -0.298 -17.231
  257   3HD2  LEU  34          3HD2      LEU  34   1.324   1.181 -16.387
  258    H    THR  35           H        THR  35  -1.562   0.419 -12.491
  259    HA   THR  35           HA       THR  35  -3.354   2.723 -12.470
  260    HB   THR  35           HB       THR  35  -4.867   1.084 -11.200
  261    HG1  THR  35           1HG      THR  35  -4.305  -1.078 -11.404
  262   1HG2  THR  35          1HG2      THR  35  -5.198  -0.363 -13.329
  263   2HG2  THR  35          2HG2      THR  35  -4.035   0.752 -14.046
  264   3HG2  THR  35          3HG2      THR  35  -5.548   1.365 -13.379
  265    H    VAL  36           H        VAL  36  -3.513   4.091 -10.855
  266    HA   VAL  36           HA       VAL  36  -3.099   3.315  -8.120
  267    HB   VAL  36           HB       VAL  36  -0.783   3.693  -8.668
  268   1HG1  VAL  36          1HG1      VAL  36  -1.772   6.270  -9.851
  269   2HG1  VAL  36          2HG1      VAL  36  -0.852   4.985 -10.634
  270   3HG1  VAL  36          3HG1      VAL  36  -0.081   6.010  -9.423
  271   1HG2  VAL  36          1HG2      VAL  36  -1.935   4.712  -6.549
  272   2HG2  VAL  36          2HG2      VAL  36  -1.514   6.247  -7.310
  273   3HG2  VAL  36          3HG2      VAL  36  -0.250   5.083  -6.913
  274    H    SER  37           H        SER  37  -4.642   4.341  -7.014
  275    HA   SER  37           HA       SER  37  -5.064   7.131  -7.158
  276   1HB   SER  37          2HB       SER  37  -7.331   7.149  -8.137
  277   2HB   SER  37          1HB       SER  37  -6.119   6.614  -9.299
  278    HG   SER  37           HG       SER  37  -8.057   5.093  -7.932
  279    H    SER  38           H        SER  38  -7.607   7.433  -6.332
  280    HA   SER  38           HA       SER  38  -9.071   7.220  -4.616
  281   1HB   SER  38          2HB       SER  38  -9.214   4.831  -5.060
  282   2HB   SER  38          1HB       SER  38  -7.738   4.538  -4.141
  283    HG   SER  38           HG       SER  38  -9.153   4.230  -2.592
  284    H    PHE  39           H        PHE  39  -7.283   8.967  -4.126
  285    HA   PHE  39           HA       PHE  39  -5.656   8.404  -1.813
  286   1HB   PHE  39          2HB       PHE  39  -6.285  10.994  -3.244
  287   2HB   PHE  39          1HB       PHE  39  -5.181  10.866  -1.882
  288    HD1  PHE  39           1HD      PHE  39  -5.694   8.931  -5.045
  289    HD2  PHE  39           2HD      PHE  39  -2.998  11.038  -2.515
  290    HE1  PHE  39           1HE      PHE  39  -3.848   8.405  -6.583
  291    HE2  PHE  39           2HE      PHE  39  -1.146  10.516  -4.049
  292    HZ   PHE  39           HZ       PHE  39  -1.571   9.199  -6.087
  293    H    TYR  40           H        TYR  40  -7.144   7.730  -0.277
  294    HA   TYR  40           HA       TYR  40  -9.148   9.670   0.600
  295   1HB   TYR  40          2HB       TYR  40  -9.916   7.655   2.003
  296   2HB   TYR  40          1HB       TYR  40 -10.160   7.588   0.257
  297    HD1  TYR  40           1HD      TYR  40  -7.371   6.832   2.625
  298    HD2  TYR  40           2HD      TYR  40  -9.723   5.540  -0.671
  299    HE1  TYR  40           1HE      TYR  40  -6.130   4.715   2.571
  300    HE2  TYR  40           2HE      TYR  40  -8.485   3.424  -0.736
  301    HH   TYR  40           HH       TYR  40  -7.178   2.044   0.719
  302    H    ARG  41           H        ARG  41  -9.600   9.467   3.029
  303    HA   ARG  41           HA       ARG  41  -7.082   9.979   4.456
  304   1HB   ARG  41          2HB       ARG  41  -8.730  11.810   4.437
  305   2HB   ARG  41          1HB       ARG  41  -9.926  10.744   5.162
  306   1HG   ARG  41          2HG       ARG  41  -8.519  10.543   7.162
  307   2HG   ARG  41          1HG       ARG  41  -7.347  11.645   6.434
  308   1HD   ARG  41          2HD       ARG  41 -10.220  12.287   7.099
  309   2HD   ARG  41          1HD       ARG  41  -8.802  12.815   8.007
  310    HE   ARG  41           HE       ARG  41  -8.520  13.645   5.348
  311   1HH1  ARG  41          1HH1      ARG  41 -10.499  14.298   8.144
  312   2HH1  ARG  41          2HH1      ARG  41 -10.829  15.936   7.687
  313   1HH2  ARG  41          1HH2      ARG  41  -8.949  15.800   4.742
  314   2HH2  ARG  41          2HH2      ARG  41  -9.949  16.789   5.753
  315    H    THR  42           H        THR  42  -6.878   9.170   6.674
  316    HA   THR  42           HA       THR  42  -8.681   7.057   7.495
  317    HB   THR  42           HB       THR  42  -5.789   6.474   6.830
  318    HG1  THR  42           1HG      THR  42  -6.737   5.017   5.352
  319   1HG2  THR  42          1HG2      THR  42  -7.870   4.637   7.993
  320   2HG2  THR  42          2HG2      THR  42  -6.436   5.244   8.821
  321   3HG2  THR  42          3HG2      THR  42  -6.263   4.167   7.437
  322    HA   PRO  43           HA       PRO  43  -7.164   8.659  11.365
  323   1HB   PRO  43          2HB       PRO  43  -8.869   7.402  12.987
  324   2HB   PRO  43          1HB       PRO  43  -9.429   8.654  11.873
  325   1HG   PRO  43          2HG       PRO  43  -9.660   5.689  11.665
  326   2HG   PRO  43          1HG       PRO  43 -10.811   6.943  11.176
  327   1HD   PRO  43          2HD       PRO  43  -9.030   5.597   9.487
  328   2HD   PRO  43          1HD       PRO  43  -9.898   7.096   9.104
  329    HA   PRO  44           HA       PRO  44  -4.155   5.356  12.173
  330   1HB   PRO  44          2HB       PRO  44  -3.432   7.281  14.325
  331   2HB   PRO  44          1HB       PRO  44  -2.398   6.478  13.138
  332   1HG   PRO  44          2HG       PRO  44  -3.019   9.049  12.867
  333   2HG   PRO  44          1HG       PRO  44  -2.941   7.981  11.453
  334   1HD   PRO  44          2HD       PRO  44  -5.332   9.034  12.906
  335   2HD   PRO  44          1HD       PRO  44  -5.093   8.775  11.166
  336    H    LEU  45           H        LEU  45  -5.087   7.094  15.137
  337    HA   LEU  45           HA       LEU  45  -5.879   6.381  17.144
  338   1HB   LEU  45          2HB       LEU  45  -7.161   4.219  15.469
  339   2HB   LEU  45          1HB       LEU  45  -7.585   4.607  17.125
  340    HG   LEU  45           HG       LEU  45  -7.919   6.457  14.761
  341   1HD1  LEU  45          1HD1      LEU  45  -9.963   5.632  14.457
  342   2HD1  LEU  45          2HD1      LEU  45 -10.309   5.651  16.186
  343   3HD1  LEU  45          3HD1      LEU  45  -9.465   4.277  15.470
  344   1HD2  LEU  45          1HD2      LEU  45  -9.441   7.153  17.081
  345   2HD2  LEU  45          2HD2      LEU  45  -8.241   8.106  16.209
  346   3HD2  LEU  45          3HD2      LEU  45  -7.735   7.028  17.510
  347    H    GLY  46           H        GLY  46  -3.466   5.831  17.338
  348   1HA   GLY  46          2HA       GLY  46  -2.930   3.838  19.005
  349   2HA   GLY  46          1HA       GLY  46  -2.937   2.964  17.482
  350    HA   PRO  47           HA       PRO  47   1.268   4.052  16.777
  351   1HB   PRO  47          2HB       PRO  47   1.375   4.680  14.138
  352   2HB   PRO  47          1HB       PRO  47   1.154   3.027  14.725
  353   1HG   PRO  47          2HG       PRO  47  -0.895   4.973  13.731
  354   2HG   PRO  47          1HG       PRO  47  -0.731   3.243  13.376
  355   1HD   PRO  47          2HD       PRO  47  -2.507   4.191  15.183
  356   2HD   PRO  47          1HD       PRO  47  -1.711   2.615  15.368
  357    H    GLN  48           H        GLN  48  -1.123   6.410  15.780
  358    HA   GLN  48           HA       GLN  48   0.822   8.542  16.349
  359   1HB   GLN  48          2HB       GLN  48  -1.240   8.528  14.137
  360   2HB   GLN  48          1HB       GLN  48  -0.238   9.906  14.573
  361   1HG   GLN  48          2HG       GLN  48   1.764   8.650  13.981
  362   2HG   GLN  48          1HG       GLN  48   0.770   7.254  13.567
  363   1HE2  GLN  48          1HE2      GLN  48  -0.964   9.901  12.689
  364   2HE2  GLN  48          2HE2      GLN  48  -0.478  10.032  11.039
  365    H    ASP  49           H        ASP  49  -0.725  10.737  16.250
  366    HA   ASP  49           HA       ASP  49  -3.009  10.207  18.018
  367   1HB   ASP  49          2HB       ASP  49  -2.344  12.155  19.410
  368   2HB   ASP  49          1HB       ASP  49  -1.178  10.839  19.472
  369    H    GLN  50           H        GLN  50  -1.546  12.079  15.515
  370    HA   GLN  50           HA       GLN  50  -3.901  13.828  15.389
  371   1HB   GLN  50          2HB       GLN  50  -2.270  14.939  13.573
  372   2HB   GLN  50          1HB       GLN  50  -2.227  15.350  15.282
  373   1HG   GLN  50          2HG       GLN  50   0.008  15.025  14.453
  374   2HG   GLN  50          1HG       GLN  50  -0.394  13.759  15.611
  375   1HE2  GLN  50          1HE2      GLN  50   0.240  11.819  15.049
  376   2HE2  GLN  50          2HE2      GLN  50   0.441  11.234  13.436
  377    HA   PRO  51           HA       PRO  51  -5.182  10.834  12.212
  378   1HB   PRO  51          2HB       PRO  51  -7.371  12.857  12.131
  379   2HB   PRO  51          1HB       PRO  51  -7.468  11.093  12.172
  380   1HG   PRO  51          2HG       PRO  51  -7.977  12.513  14.357
  381   2HG   PRO  51          1HG       PRO  51  -7.070  10.992  14.459
  382   1HD   PRO  51          2HD       PRO  51  -6.083  13.805  14.618
  383   2HD   PRO  51          1HD       PRO  51  -5.527  12.362  15.490
  384    H    ASP  52           H        ASP  52  -4.054  11.030  10.386
  385    HA   ASP  52           HA       ASP  52  -4.850  12.808   8.346
  386   1HB   ASP  52          2HB       ASP  52  -2.786  14.124   8.108
  387   2HB   ASP  52          1HB       ASP  52  -3.584  14.457   9.640
  388    H    TYR  53           H        TYR  53  -4.589  10.072   8.543
  389    HA   TYR  53           HA       TYR  53  -2.143   9.326   7.148
  390   1HB   TYR  53          2HB       TYR  53  -3.100   7.946   9.040
  391   2HB   TYR  53          1HB       TYR  53  -4.442   7.544   7.974
  392    HD1  TYR  53           1HD      TYR  53  -4.313   5.452   7.034
  393    HD2  TYR  53           2HD      TYR  53  -0.703   7.594   7.729
  394    HE1  TYR  53           1HE      TYR  53  -3.026   3.570   6.115
  395    HE2  TYR  53           2HE      TYR  53   0.595   5.717   6.811
  396    HH   TYR  53           HH       TYR  53   0.418   3.801   5.545
  397    H    LEU  54           H        LEU  54  -2.211   9.864   5.054
  398    HA   LEU  54           HA       LEU  54  -4.649   9.252   3.522
  399   1HB   LEU  54          2HB       LEU  54  -4.036  11.574   3.389
  400   2HB   LEU  54          1HB       LEU  54  -2.380  11.162   2.996
  401    HG   LEU  54           HG       LEU  54  -4.627  10.378   1.159
  402   1HD1  LEU  54          1HD1      LEU  54  -5.063  12.500   0.706
  403   2HD1  LEU  54          2HD1      LEU  54  -3.399  12.680   0.153
  404   3HD1  LEU  54          3HD1      LEU  54  -3.816  13.040   1.827
  405   1HD2  LEU  54          1HD2      LEU  54  -2.081  11.247   0.045
  406   2HD2  LEU  54          2HD2      LEU  54  -2.998   9.771  -0.250
  407   3HD2  LEU  54          3HD2      LEU  54  -1.914   9.873   1.137
  408    H    ASN  55           H        ASN  55  -4.527   7.983   1.665
  409    HA   ASN  55           HA       ASN  55  -2.058   7.168   0.541
  410   1HB   ASN  55          2HB       ASN  55  -2.100   4.805   1.286
  411   2HB   ASN  55          1HB       ASN  55  -1.793   5.956   2.583
  412   1HD2  ASN  55          1HD2      ASN  55  -3.404   3.241   1.830
  413   2HD2  ASN  55          2HD2      ASN  55  -4.703   3.337   2.962
  414    H    ALA  56           H        ALA  56  -2.327   5.244  -0.950
  415    HA   ALA  56           HA       ALA  56  -5.061   4.915  -1.930
  416   1HB   ALA  56          1HB       ALA  56  -3.373   6.790  -3.063
  417   2HB   ALA  56          2HB       ALA  56  -4.824   6.106  -3.795
  418   3HB   ALA  56          3HB       ALA  56  -3.246   5.398  -4.137
  419    H    ALA  57           H        ALA  57  -4.715   3.544  -4.189
  420    HA   ALA  57           HA       ALA  57  -3.123   1.199  -3.368
  421   1HB   ALA  57          1HB       ALA  57  -5.631   1.354  -5.017
  422   2HB   ALA  57          2HB       ALA  57  -5.439   0.634  -3.419
  423   3HB   ALA  57          3HB       ALA  57  -4.666  -0.108  -4.819
  424    H    VAL  58           H        VAL  58  -2.078  -0.029  -4.950
  425    HA   VAL  58           HA       VAL  58  -1.668   1.288  -7.516
  426    HB   VAL  58           HB       VAL  58   0.595   0.396  -5.731
  427   1HG1  VAL  58          1HG1      VAL  58   0.403   0.699  -8.546
  428   2HG1  VAL  58          2HG1      VAL  58   1.819   0.296  -7.574
  429   3HG1  VAL  58          3HG1      VAL  58   1.435   1.983  -7.920
  430   1HG2  VAL  58          1HG2      VAL  58  -0.504   3.103  -6.411
  431   2HG2  VAL  58          2HG2      VAL  58   1.181   2.889  -5.939
  432   3HG2  VAL  58          3HG2      VAL  58  -0.109   2.433  -4.829
  433    H    ALA  59           H        ALA  59  -1.268  -0.019  -9.142
  434    HA   ALA  59           HA       ALA  59  -0.783  -2.864  -8.652
  435   1HB   ALA  59          1HB       ALA  59  -2.828  -3.420  -9.350
  436   2HB   ALA  59          2HB       ALA  59  -2.418  -2.752 -10.930
  437   3HB   ALA  59          3HB       ALA  59  -3.208  -1.739  -9.721
  438    H    LEU  60           H        LEU  60   1.313  -2.594  -9.254
  439    HA   LEU  60           HA       LEU  60   1.780  -1.695 -12.018
  440   1HB   LEU  60          2HB       LEU  60   3.224  -0.274 -11.089
  441   2HB   LEU  60          1HB       LEU  60   3.024  -1.021  -9.520
  442    HG   LEU  60           HG       LEU  60   4.877  -2.223 -11.552
  443   1HD1  LEU  60          1HD1      LEU  60   5.125   0.368 -10.441
  444   2HD1  LEU  60          2HD1      LEU  60   6.305  -0.534 -11.391
  445   3HD1  LEU  60          3HD1      LEU  60   6.296  -0.676  -9.633
  446   1HD2  LEU  60          1HD2      LEU  60   5.542  -3.546  -9.863
  447   2HD2  LEU  60          2HD2      LEU  60   4.019  -3.080  -9.106
  448   3HD2  LEU  60          3HD2      LEU  60   5.506  -2.228  -8.691
  449    H    GLU  61           H        GLU  61   3.306  -2.813 -13.305
  450    HA   GLU  61           HA       GLU  61   3.356  -5.663 -12.749
  451   1HB   GLU  61          2HB       GLU  61   4.301  -4.160 -15.193
  452   2HB   GLU  61          1HB       GLU  61   4.115  -5.903 -15.054
  453   1HG   GLU  61          2HG       GLU  61   1.691  -5.519 -14.621
  454   2HG   GLU  61          1HG       GLU  61   1.953  -3.825 -15.017
  455    H    THR  62           H        THR  62   4.958  -6.288 -11.427
  456    HA   THR  62           HA       THR  62   7.620  -5.173 -11.831
  457    HB   THR  62           HB       THR  62   6.921  -4.987  -9.549
  458    HG1  THR  62           1HG      THR  62   8.672  -5.806  -8.730
  459   1HG2  THR  62          1HG2      THR  62   6.369  -7.001  -8.197
  460   2HG2  THR  62          2HG2      THR  62   6.212  -7.900  -9.707
  461   3HG2  THR  62          3HG2      THR  62   5.137  -6.543  -9.372
  462    H    SER  63           H        SER  63   9.338  -6.817 -11.228
  463    HA   SER  63           HA       SER  63   8.806  -9.427 -12.482
  464   1HB   SER  63          2HB       SER  63  11.185  -7.614 -12.973
  465   2HB   SER  63          1HB       SER  63  11.081  -9.287 -13.520
  466    HG   SER  63           HG       SER  63   9.111  -7.386 -14.203
  467    H    LEU  64           H        LEU  64  10.005  -7.445 -10.123
  468    HA   LEU  64           HA       LEU  64  11.529  -9.530  -8.765
  469   1HB   LEU  64          2HB       LEU  64  12.034  -7.350  -7.333
  470   2HB   LEU  64          1HB       LEU  64  12.940  -7.723  -8.788
  471    HG   LEU  64           HG       LEU  64  10.852  -6.253  -9.787
  472   1HD1  LEU  64          1HD1      LEU  64   9.924  -4.955  -8.267
  473   2HD1  LEU  64          2HD1      LEU  64  11.504  -4.327  -7.802
  474   3HD1  LEU  64          3HD1      LEU  64  10.858  -5.765  -7.010
  475   1HD2  LEU  64          1HD2      LEU  64  12.787  -4.363  -9.299
  476   2HD2  LEU  64          2HD2      LEU  64  12.751  -5.475 -10.667
  477   3HD2  LEU  64          3HD2      LEU  64  13.689  -5.877  -9.229
  478    H    ALA  65           H        ALA  65   9.886 -10.680  -7.820
  479    HA   ALA  65           HA       ALA  65   7.472 -10.085  -6.900
  480   1HB   ALA  65          1HB       ALA  65   7.999 -12.261  -6.480
  481   2HB   ALA  65          2HB       ALA  65   8.107 -11.613  -4.842
  482   3HB   ALA  65          3HB       ALA  65   9.574 -11.863  -5.789
  483    HA   PRO  66           HA       PRO  66   6.993  -6.865  -3.929
  484   1HB   PRO  66          2HB       PRO  66   6.139  -9.181  -2.214
  485   2HB   PRO  66          1HB       PRO  66   5.450  -7.552  -2.311
  486   1HG   PRO  66          2HG       PRO  66   4.334  -9.536  -3.656
  487   2HG   PRO  66          1HG       PRO  66   4.501  -7.930  -4.380
  488   1HD   PRO  66          2HD       PRO  66   5.942 -10.436  -5.015
  489   2HD   PRO  66          1HD       PRO  66   5.662  -9.008  -6.034
  490    H    GLU  67           H        GLU  67   8.598  -9.862  -2.956
  491    HA   GLU  67           HA       GLU  67   9.777  -9.040  -0.598
  492   1HB   GLU  67          2HB       GLU  67  11.124 -10.651  -2.779
  493   2HB   GLU  67          1HB       GLU  67  11.528 -10.665  -1.068
  494   1HG   GLU  67          2HG       GLU  67   9.395 -11.656  -0.530
  495   2HG   GLU  67          1HG       GLU  67   8.891 -11.555  -2.220
  496    H    GLU  68           H        GLU  68  11.065  -8.726  -3.895
  497    HA   GLU  68           HA       GLU  68  13.134  -6.880  -3.113
  498   1HB   GLU  68          2HB       GLU  68  12.229  -7.352  -5.933
  499   2HB   GLU  68          1HB       GLU  68  13.837  -6.978  -5.343
  500   1HG   GLU  68          2HG       GLU  68  13.828  -9.247  -4.244
  501   2HG   GLU  68          1HG       GLU  68  12.351  -9.568  -5.155
  502    H    LEU  69           H        LEU  69  10.131  -6.742  -4.988
  503    HA   LEU  69           HA       LEU  69  10.132  -4.146  -5.830
  504   1HB   LEU  69          2HB       LEU  69   8.338  -5.199  -6.652
  505   2HB   LEU  69          1HB       LEU  69   8.063  -6.143  -5.213
  506    HG   LEU  69           HG       LEU  69   7.167  -3.941  -4.190
  507   1HD1  LEU  69          1HD1      LEU  69   6.133  -2.518  -6.058
  508   2HD1  LEU  69          2HD1      LEU  69   7.367  -3.245  -7.090
  509   3HD1  LEU  69          3HD1      LEU  69   7.841  -2.301  -5.678
  510   1HD2  LEU  69          1HD2      LEU  69   5.144  -4.842  -4.505
  511   2HD2  LEU  69          2HD2      LEU  69   5.941  -6.039  -5.528
  512   3HD2  LEU  69          3HD2      LEU  69   5.228  -4.597  -6.251
  513    H    LEU  70           H        LEU  70   9.112  -5.327  -2.656
  514    HA   LEU  70           HA       LEU  70   8.374  -2.758  -1.695
  515   1HB   LEU  70          2HB       LEU  70   9.081  -5.264  -0.166
  516   2HB   LEU  70          1HB       LEU  70   8.377  -3.822   0.537
  517    HG   LEU  70           HG       LEU  70   7.086  -5.700  -1.437
  518   1HD1  LEU  70          1HD1      LEU  70   6.560  -6.723   0.482
  519   2HD1  LEU  70          2HD1      LEU  70   5.401  -5.408   0.676
  520   3HD1  LEU  70          3HD1      LEU  70   6.977  -5.317   1.462
  521   1HD2  LEU  70          1HD2      LEU  70   5.121  -3.984  -0.677
  522   2HD2  LEU  70          2HD2      LEU  70   6.020  -3.876  -2.191
  523   3HD2  LEU  70          3HD2      LEU  70   6.503  -2.895  -0.807
  524    H    ASN  71           H        ASN  71  11.342  -4.657  -1.718
  525    HA   ASN  71           HA       ASN  71  12.861  -3.256   0.127
  526   1HB   ASN  71          2HB       ASN  71  13.683  -4.484  -2.507
  527   2HB   ASN  71          1HB       ASN  71  14.839  -3.792  -1.380
  528   1HD2  ASN  71          1HD2      ASN  71  12.223  -5.144   0.212
  529   2HD2  ASN  71          2HD2      ASN  71  12.935  -6.657   0.637
  530    H    HIS  72           H        HIS  72  12.403  -2.510  -3.328
  531    HA   HIS  72           HA       HIS  72  13.959  -0.153  -3.319
  532   1HB   HIS  72          2HB       HIS  72  11.791  -1.109  -5.187
  533   2HB   HIS  72          1HB       HIS  72  12.774   0.322  -5.482
  534    HD1  HIS  72           1HD      HIS  72  15.459  -0.199  -5.590
  535    HD2  HIS  72           2HD      HIS  72  12.881  -3.415  -6.087
  536    HE1  HIS  72           1HE      HIS  72  16.846  -2.010  -6.647
  537    HE2  HIS  72           2HE      HIS  72  15.281  -3.973  -6.877
  538    H    THR  73           H        THR  73  10.400  -0.585  -3.237
  539    HA   THR  73           HA       THR  73   9.710   2.102  -3.133
  540    HB   THR  73           HB       THR  73   7.644   1.371  -1.986
  541    HG1  THR  73           1HG      THR  73   7.931  -1.226  -1.945
  542   1HG2  THR  73          1HG2      THR  73   7.125  -0.632  -3.577
  543   2HG2  THR  73          2HG2      THR  73   8.654  -0.166  -4.322
  544   3HG2  THR  73          3HG2      THR  73   7.333   0.998  -4.216
  545    H    GLN  74           H        GLN  74  10.208  -0.078  -0.381
  546    HA   GLN  74           HA       GLN  74  10.132   1.950   1.582
  547   1HB   GLN  74          2HB       GLN  74  11.317  -0.827   1.744
  548   2HB   GLN  74          1HB       GLN  74  10.947   0.213   3.112
  549   1HG   GLN  74          2HG       GLN  74   8.576   0.122   2.544
  550   2HG   GLN  74          1HG       GLN  74   8.946  -0.911   1.164
  551   1HE2  GLN  74          1HE2      GLN  74   7.776  -0.962   4.179
  552   2HE2  GLN  74          2HE2      GLN  74   8.211  -2.564   4.658
  553    H    ARG  75           H        ARG  75  12.492   0.969  -0.647
  554    HA   ARG  75           HA       ARG  75  14.851   1.527   0.828
  555   1HB   ARG  75          2HB       ARG  75  14.881   0.220  -1.250
  556   2HB   ARG  75          1HB       ARG  75  14.349   1.625  -2.156
  557   1HG   ARG  75          2HG       ARG  75  16.415   2.728  -1.833
  558   2HG   ARG  75          1HG       ARG  75  16.934   1.544  -0.628
  559   1HD   ARG  75          2HD       ARG  75  17.051  -0.183  -2.295
  560   2HD   ARG  75          1HD       ARG  75  16.358   0.882  -3.518
  561    HE   ARG  75           HE       ARG  75  18.676   2.093  -2.551
  562   1HH1  ARG  75          1HH1      ARG  75  17.768  -0.778  -4.304
  563   2HH1  ARG  75          2HH1      ARG  75  19.262  -0.872  -5.178
  564   1HH2  ARG  75          1HH2      ARG  75  20.644   1.974  -3.692
  565   2HH2  ARG  75          2HH2      ARG  75  20.896   0.692  -4.829
  566    H    ILE  76           H        ILE  76  12.662   3.442  -1.133
  567    HA   ILE  76           HA       ILE  76  14.250   5.810  -1.034
  568    HB   ILE  76           HB       ILE  76  11.328   5.448  -1.688
  569   1HG1  ILE  76          2HG1      ILE  76  12.864   4.377  -3.271
  570   2HG1  ILE  76          1HG1      ILE  76  12.078   5.769  -4.007
  571   1HG2  ILE  76          1HG2      ILE  76  11.474   7.727  -2.637
  572   2HG2  ILE  76          2HG2      ILE  76  13.083   7.886  -1.934
  573   3HG2  ILE  76          3HG2      ILE  76  11.678   7.694  -0.886
  574   1HD1  ILE  76          1HD1      ILE  76  14.333   6.912  -3.053
  575   2HD1  ILE  76          2HD1      ILE  76  14.152   6.263  -4.683
  576   3HD1  ILE  76          3HD1      ILE  76  14.908   5.286  -3.423
  577    H    GLU  77           H        GLU  77  11.380   4.649   0.782
  578    HA   GLU  77           HA       GLU  77  11.205   6.960   2.394
  579   1HB   GLU  77          2HB       GLU  77   9.937   5.580   4.013
  580   2HB   GLU  77          1HB       GLU  77   9.306   5.501   2.385
  581   1HG   GLU  77          2HG       GLU  77   9.153   3.330   3.048
  582   2HG   GLU  77          1HG       GLU  77  10.708   3.316   2.229
  583    H    LEU  78           H        LEU  78  13.431   4.413   2.298
  584    HA   LEU  78           HA       LEU  78  14.329   4.532   5.003
  585   1HB   LEU  78          2HB       LEU  78  14.747   2.661   3.318
  586   2HB   LEU  78          1HB       LEU  78  15.944   3.709   2.585
  587    HG   LEU  78           HG       LEU  78  16.075   2.815   5.466
  588   1HD1  LEU  78          1HD1      LEU  78  16.256   0.811   4.268
  589   2HD1  LEU  78          2HD1      LEU  78  17.923   1.314   4.548
  590   3HD1  LEU  78          3HD1      LEU  78  17.179   1.566   2.969
  591   1HD2  LEU  78          1HD2      LEU  78  18.560   3.351   4.940
  592   2HD2  LEU  78          2HD2      LEU  78  17.446   4.671   5.292
  593   3HD2  LEU  78          3HD2      LEU  78  17.892   4.315   3.623
  594    H    GLN  79           H        GLN  79  15.100   6.139   1.981
  595    HA   GLN  79           HA       GLN  79  17.023   7.879   3.367
  596   1HB   GLN  79          2HB       GLN  79  16.509   7.561   0.404
  597   2HB   GLN  79          1HB       GLN  79  17.764   8.554   1.131
  598   1HG   GLN  79          2HG       GLN  79  18.815   6.556   2.055
  599   2HG   GLN  79          1HG       GLN  79  17.556   5.559   1.332
  600   1HE2  GLN  79          1HE2      GLN  79  18.045   7.992  -0.796
  601   2HE2  GLN  79          2HE2      GLN  79  19.228   7.260  -1.819
  602    H    GLN  80           H        GLN  80  13.831   7.821   2.803
  603    HA   GLN  80           HA       GLN  80  13.670  10.723   2.357
  604   1HB   GLN  80          2HB       GLN  80  11.893   8.496   1.414
  605   2HB   GLN  80          1HB       GLN  80  11.211  10.099   1.672
  606   1HG   GLN  80          2HG       GLN  80  13.506   9.421  -0.153
  607   2HG   GLN  80          1HG       GLN  80  11.850   9.768  -0.644
  608   1HE2  GLN  80          1HE2      GLN  80  11.519  11.746  -1.339
  609   2HE2  GLN  80          2HE2      GLN  80  12.416  13.153  -0.891
  610    H    GLY  81           H        GLY  81  13.027   8.165   4.505
  611   1HA   GLY  81          2HA       GLY  81  10.940   9.464   5.998
  612   2HA   GLY  81          1HA       GLY  81  11.822   8.020   6.473
  613    H    ARG  82           H        ARG  82  13.280  11.108   5.626
  614    HA   ARG  82           HA       ARG  82  14.359  12.702   6.821
  615   1HB   ARG  82          2HB       ARG  82  13.161  11.328   9.225
  616   2HB   ARG  82          1HB       ARG  82  14.081  12.824   9.290
  617   1HG   ARG  82          2HG       ARG  82  11.542  12.472   7.713
  618   2HG   ARG  82          1HG       ARG  82  11.616  13.125   9.350
  619   1HD   ARG  82          2HD       ARG  82  11.542  14.978   7.865
  620   2HD   ARG  82          1HD       ARG  82  13.193  14.873   8.472
  621    HE   ARG  82           HE       ARG  82  13.866  14.646   6.315
  622   1HH1  ARG  82          1HH1      ARG  82  10.581  13.503   6.541
  623   2HH1  ARG  82          2HH1      ARG  82  10.457  13.141   4.852
  624   1HH2  ARG  82          1HH2      ARG  82  13.708  14.175   4.091
  625   2HH2  ARG  82          2HH2      ARG  82  12.232  13.523   3.461
  626    H    VAL  83           H        VAL  83  15.054  11.119   9.707
  627    HA   VAL  83           HA       VAL  83  17.823  10.903   8.998
  628    HB   VAL  83           HB       VAL  83  18.167  10.242  11.345
  629   1HG1  VAL  83          1HG1      VAL  83  16.493  12.444  11.984
  630   2HG1  VAL  83          2HG1      VAL  83  17.145  12.702  10.366
  631   3HG1  VAL  83          3HG1      VAL  83  18.237  12.428  11.722
  632   1HG2  VAL  83          1HG2      VAL  83  16.218  10.299  12.884
  633   2HG2  VAL  83          2HG2      VAL  83  16.178   8.950  11.748
  634   3HG2  VAL  83          3HG2      VAL  83  15.157  10.363  11.478
  635    H    ARG  84           H        ARG  84  16.183   9.045   7.559
  636    HA   ARG  84           HA       ARG  84  15.906   6.812   7.089
  637   1HB   ARG  84          2HB       ARG  84  18.039   5.689   6.734
  638   2HB   ARG  84          1HB       ARG  84  18.129   7.367   6.218
  639   1HG   ARG  84          2HG       ARG  84  19.302   7.945   8.278
  640   2HG   ARG  84          1HG       ARG  84  19.197   6.265   8.809
  641   1HD   ARG  84          2HD       ARG  84  20.620   7.249   6.338
  642   2HD   ARG  84          1HD       ARG  84  21.393   6.784   7.851
  643    HE   ARG  84           HE       ARG  84  19.817   4.649   6.933
  644   1HH1  ARG  84          1HH1      ARG  84  22.738   6.369   6.125
  645   2HH1  ARG  84          2HH1      ARG  84  23.481   5.006   5.356
  646   1HH2  ARG  84          1HH2      ARG  84  20.787   2.849   5.926
  647   2HH2  ARG  84          2HH2      ARG  84  22.372   3.005   5.243
  648    H    LYS  85           H        LYS  85  17.561   4.639   8.022
  649    HA   LYS  85           HA       LYS  85  17.472   2.949   9.525
  650   1HB   LYS  85          2HB       LYS  85  18.841   4.518  10.831
  651   2HB   LYS  85          1HB       LYS  85  17.385   5.223  11.517
  652   1HG   LYS  85          2HG       LYS  85  16.856   3.136  12.622
  653   2HG   LYS  85          1HG       LYS  85  18.250   2.359  11.872
  654   1HD   LYS  85          2HD       LYS  85  18.830   2.930  14.125
  655   2HD   LYS  85          1HD       LYS  85  19.714   4.004  13.041
  656   1HE   LYS  85          2HE       LYS  85  17.128   4.733  14.412
  657   2HE   LYS  85          1HE       LYS  85  18.725   5.126  15.045
  658   1HZ   LYS  85          1HZ       LYS  85  18.934   6.110  12.595
  659   2HZ   LYS  85          2HZ       LYS  85  18.359   7.016  13.903
  660   3HZ   LYS  85          3HZ       LYS  85  17.269   6.305  12.823
  661    H    ALA  86           H        ALA  86  15.645   4.881  11.789
  662    HA   ALA  86           HA       ALA  86  13.309   3.170  11.248
  663   1HB   ALA  86          1HB       ALA  86  14.706   3.725  13.652
  664   2HB   ALA  86          2HB       ALA  86  13.282   2.710  13.417
  665   3HB   ALA  86          3HB       ALA  86  13.092   4.424  13.787
  666    H    GLU  87           H        GLU  87  13.978   5.701   9.915
  667    HA   GLU  87           HA       GLU  87  13.176   7.828   9.547
  668   1HB   GLU  87          2HB       GLU  87  10.842   7.751   8.757
  669   2HB   GLU  87          1HB       GLU  87  11.818   6.433   8.132
  670   1HG   GLU  87          2HG       GLU  87  10.045   6.092  10.526
  671   2HG   GLU  87          1HG       GLU  87   9.441   5.915   8.881
  672    H    ARG  88           H        ARG  88  13.698   8.033  12.066
  673    HA   ARG  88           HA       ARG  88  13.212   9.080  14.024
  674   1HB   ARG  88          2HB       ARG  88  10.996  10.336  12.396
  675   2HB   ARG  88          1HB       ARG  88  11.626  10.942  13.922
  676   1HG   ARG  88          2HG       ARG  88  13.821  11.274  12.851
  677   2HG   ARG  88          1HG       ARG  88  13.127  10.739  11.319
  678   1HD   ARG  88          2HD       ARG  88  13.176  13.158  11.404
  679   2HD   ARG  88          1HD       ARG  88  11.508  12.587  11.432
  680    HE   ARG  88           HE       ARG  88  12.337  12.914  14.070
  681   1HH1  ARG  88          1HH1      ARG  88  11.752  14.872  11.245
  682   2HH1  ARG  88          2HH1      ARG  88  11.321  16.282  12.154
  683   1HH2  ARG  88          1HH2      ARG  88  11.771  14.766  15.272
  684   2HH2  ARG  88          2HH2      ARG  88  11.332  16.222  14.442
  685    H    TRP  89           H        TRP  89  10.883   9.875  15.260
  686    HA   TRP  89           HA       TRP  89   9.285   7.409  15.410
  687   1HB   TRP  89          2HB       TRP  89  10.949   7.523  17.266
  688   2HB   TRP  89          1HB       TRP  89  10.209   9.031  17.792
  689    HD1  TRP  89           HD       TRP  89   8.356   5.792  16.750
  690    HE1  TRP  89           1HE      TRP  89   6.916   5.023  18.742
  691    HE3  TRP  89           3HE      TRP  89   9.825   9.266  20.201
  692    HZ2  TRP  89           2HZ      TRP  89   6.465   5.790  21.423
  693    HZ3  TRP  89           3HZ      TRP  89   8.843   9.177  22.456
  694    HH2  TRP  89           HH       TRP  89   7.198   7.475  23.052
  695    H    GLY  90           H        GLY  90   7.936   8.799  13.970
  696   1HA   GLY  90          2HA       GLY  90   5.785   9.917  15.465
  697   2HA   GLY  90          1HA       GLY  90   6.732  11.181  14.696
  698    HA   PRO  91           HA       PRO  91   3.447  10.246  11.635
  699   1HB   PRO  91          2HB       PRO  91   4.068  12.512  10.154
  700   2HB   PRO  91          1HB       PRO  91   2.860  12.429  11.439
  701   1HG   PRO  91          2HG       PRO  91   5.677  13.412  11.544
  702   2HG   PRO  91          1HG       PRO  91   4.232  14.056  12.343
  703   1HD   PRO  91          2HD       PRO  91   6.041  12.609  13.687
  704   2HD   PRO  91          1HD       PRO  91   4.303  12.465  14.029
  705    H    ARG  92           H        ARG  92   6.343  11.909  10.377
  706    HA   ARG  92           HA       ARG  92   6.634  10.973   7.925
  707   1HB   ARG  92          2HB       ARG  92   9.126  10.852   8.273
  708   2HB   ARG  92          1HB       ARG  92   8.360  12.345   8.794
  709   1HG   ARG  92          2HG       ARG  92   8.891  10.120  10.728
  710   2HG   ARG  92          1HG       ARG  92  10.143  11.288  10.303
  711   1HD   ARG  92          2HD       ARG  92   8.704  13.113  11.038
  712   2HD   ARG  92          1HD       ARG  92   7.425  11.963  11.426
  713    HE   ARG  92           HE       ARG  92   9.664  11.184  12.857
  714   1HH1  ARG  92          1HH1      ARG  92   7.559  13.955  12.683
  715   2HH1  ARG  92          2HH1      ARG  92   7.763  14.375  14.351
  716   1HH2  ARG  92          1HH2      ARG  92   9.937  11.731  15.054
  717   2HH2  ARG  92          2HH2      ARG  92   9.113  13.111  15.698
  718    H    THR  93           H        THR  93   6.849   9.138   6.808
  719    HA   THR  93           HA       THR  93   8.213   6.865   7.386
  720    HB   THR  93           HB       THR  93   6.765   6.622   9.390
  721    HG1  THR  93           1HG      THR  93   7.545   4.743   8.373
  722   1HG2  THR  93          1HG2      THR  93   4.482   6.309   9.338
  723   2HG2  THR  93          2HG2      THR  93   4.462   5.972   7.607
  724   3HG2  THR  93          3HG2      THR  93   4.718   7.619   8.181
  725    H    LEU  94           H        LEU  94   7.005   4.855   6.273
  726    HA   LEU  94           HA       LEU  94   5.142   5.367   4.230
  727   1HB   LEU  94          2HB       LEU  94   7.268   6.671   3.517
  728   2HB   LEU  94          1HB       LEU  94   7.944   5.096   3.178
  729    HG   LEU  94           HG       LEU  94   6.213   4.682   1.505
  730   1HD1  LEU  94          1HD1      LEU  94   4.455   6.048   2.646
  731   2HD1  LEU  94          2HD1      LEU  94   4.578   6.309   0.908
  732   3HD1  LEU  94          3HD1      LEU  94   5.260   7.488   2.027
  733   1HD2  LEU  94          1HD2      LEU  94   6.809   6.834   0.079
  734   2HD2  LEU  94          2HD2      LEU  94   7.998   5.577   0.420
  735   3HD2  LEU  94          3HD2      LEU  94   7.980   7.058   1.380
  736    H    ASP  95           H        ASP  95   4.248   3.397   4.000
  737    HA   ASP  95           HA       ASP  95   6.025   1.056   4.136
  738   1HB   ASP  95          2HB       ASP  95   4.752   1.300   6.232
  739   2HB   ASP  95          1HB       ASP  95   3.249   1.275   5.315
  740    H    LEU  96           H        LEU  96   5.860  -0.354   2.548
  741    HA   LEU  96           HA       LEU  96   3.509  -0.175   0.780
  742   1HB   LEU  96          2HB       LEU  96   6.334  -0.845  -0.048
  743   2HB   LEU  96          1HB       LEU  96   4.949  -0.657  -1.106
  744    HG   LEU  96           HG       LEU  96   6.246   1.312  -1.325
  745   1HD1  LEU  96          1HD1      LEU  96   4.325   2.474   0.560
  746   2HD1  LEU  96          2HD1      LEU  96   3.639   1.402  -0.660
  747   3HD1  LEU  96          3HD1      LEU  96   4.586   2.806  -1.152
  748   1HD2  LEU  96          1HD2      LEU  96   7.094   2.634   0.435
  749   2HD2  LEU  96          2HD2      LEU  96   7.505   0.963   0.821
  750   3HD2  LEU  96          3HD2      LEU  96   6.157   1.752   1.642
  751    H    ASP  97           H        ASP  97   2.436  -2.008   0.373
  752    HA   ASP  97           HA       ASP  97   3.732  -4.609   0.691
  753   1HB   ASP  97          2HB       ASP  97   1.937  -5.460   2.156
  754   2HB   ASP  97          1HB       ASP  97   2.858  -4.180   2.938
  755    H    ILE  98           H        ILE  98   2.397  -6.377   0.008
  756    HA   ILE  98           HA       ILE  98   0.675  -5.473  -2.188
  757    HB   ILE  98           HB       ILE  98   2.872  -6.410  -2.865
  758   1HG1  ILE  98          2HG1      ILE  98   0.384  -7.900  -3.599
  759   2HG1  ILE  98          1HG1      ILE  98   0.995  -6.450  -4.372
  760   1HG2  ILE  98          1HG2      ILE  98   2.176  -8.408  -0.974
  761   2HG2  ILE  98          2HG2      ILE  98   3.653  -8.269  -1.926
  762   3HG2  ILE  98          3HG2      ILE  98   2.279  -9.175  -2.559
  763   1HD1  ILE  98          1HD1      ILE  98   1.519  -8.219  -5.824
  764   2HD1  ILE  98          2HD1      ILE  98   2.105  -9.233  -4.506
  765   3HD1  ILE  98          3HD1      ILE  98   3.027  -7.815  -5.006
  766    H    MET  99           H        MET  99  -1.271  -6.320  -2.430
  767    HA   MET  99           HA       MET  99  -2.201  -8.275  -0.491
  768   1HB   MET  99          2HB       MET  99  -3.680  -6.599  -2.525
  769   2HB   MET  99          1HB       MET  99  -4.452  -7.736  -1.426
  770   1HG   MET  99          2HG       MET  99  -2.878  -5.300  -0.630
  771   2HG   MET  99          1HG       MET  99  -4.634  -5.457  -0.612
  772   1HE   MET  99          1HE       MET  99  -2.918  -5.037   2.781
  773   2HE   MET  99          2HE       MET  99  -4.671  -5.222   2.768
  774   3HE   MET  99          3HE       MET  99  -3.873  -4.305   1.491
  775    H    LEU 100           H        LEU 100  -1.620  -7.935  -3.960
  776    HA   LEU 100           HA       LEU 100  -1.980 -10.842  -4.226
  777   1HB   LEU 100          2HB       LEU 100  -3.162  -8.902  -6.202
  778   2HB   LEU 100          1HB       LEU 100  -3.246 -10.649  -6.269
  779    HG   LEU 100           HG       LEU 100  -4.466 -10.365  -3.963
  780   1HD1  LEU 100          1HD1      LEU 100  -5.602  -7.917  -5.118
  781   2HD1  LEU 100          2HD1      LEU 100  -3.988  -7.744  -4.428
  782   3HD1  LEU 100          3HD1      LEU 100  -5.311  -8.354  -3.435
  783   1HD2  LEU 100          1HD2      LEU 100  -5.698  -9.824  -6.656
  784   2HD2  LEU 100          2HD2      LEU 100  -6.604 -10.248  -5.203
  785   3HD2  LEU 100          3HD2      LEU 100  -5.457 -11.395  -5.894
  786    H    PHE 101           H        PHE 101  -0.535 -11.818  -5.581
  787    HA   PHE 101           HA       PHE 101   1.397 -10.052  -6.906
  788   1HB   PHE 101          2HB       PHE 101   2.282 -11.741  -5.327
  789   2HB   PHE 101          1HB       PHE 101   1.598 -13.014  -6.330
  790    HD1  PHE 101           1HD      PHE 101   3.235 -14.160  -7.451
  791    HD2  PHE 101           2HD      PHE 101   3.589  -9.938  -7.046
  792    HE1  PHE 101           1HE      PHE 101   5.296 -14.209  -8.792
  793    HE2  PHE 101           2HE      PHE 101   5.649  -9.979  -8.389
  794    HZ   PHE 101           HZ       PHE 101   6.497 -12.110  -9.278
  795    H    GLY 102           H        GLY 102  -0.351  -9.680  -8.554
  796   1HA   GLY 102          2HA       GLY 102  -0.994  -9.921 -10.751
  797   2HA   GLY 102          1HA       GLY 102   0.215 -11.188 -10.898
  798    H    ASN 103           H        ASN 103  -1.562 -12.140  -8.379
  799    HA   ASN 103           HA       ASN 103  -3.529 -13.319  -8.048
  800   1HB   ASN 103          2HB       ASN 103  -4.526 -12.396 -10.177
  801   2HB   ASN 103          1HB       ASN 103  -3.727 -13.708 -11.047
  802   1HD2  ASN 103          1HD2      ASN 103  -6.458 -12.744  -9.391
  803   2HD2  ASN 103          2HD2      ASN 103  -7.214 -14.282  -9.209
  804    H    GLU 104           H        GLU 104  -1.078 -14.010  -7.716
  805    HA   GLU 104           HA       GLU 104  -0.860 -16.805  -8.608
  806   1HB   GLU 104          2HB       GLU 104   0.876 -15.497  -9.637
  807   2HB   GLU 104          1HB       GLU 104   1.246 -14.698  -8.120
  808   1HG   GLU 104          2HG       GLU 104   2.947 -16.251  -8.556
  809   2HG   GLU 104          1HG       GLU 104   1.985 -16.878  -7.221
  810    H    VAL 105           H        VAL 105  -0.737 -18.286  -6.951
  811    HA   VAL 105           HA       VAL 105  -1.153 -17.344  -4.293
  812    HB   VAL 105           HB       VAL 105  -0.582 -20.164  -5.192
  813   1HG1  VAL 105          1HG1      VAL 105  -0.402 -19.362  -2.683
  814   2HG1  VAL 105          2HG1      VAL 105  -1.154 -20.901  -3.105
  815   3HG1  VAL 105          3HG1      VAL 105  -2.159 -19.494  -2.764
  816   1HG2  VAL 105          1HG2      VAL 105  -2.563 -19.078  -6.276
  817   2HG2  VAL 105          2HG2      VAL 105  -3.255 -18.864  -4.667
  818   3HG2  VAL 105          3HG2      VAL 105  -2.954 -20.488  -5.289
  819    H    ILE 106           H        ILE 106   0.593 -16.175  -3.670
  820    HA   ILE 106           HA       ILE 106   2.926 -17.748  -2.845
  821    HB   ILE 106           HB       ILE 106   3.076 -15.011  -4.116
  822   1HG1  ILE 106          2HG1      ILE 106   4.250 -17.671  -4.959
  823   2HG1  ILE 106          1HG1      ILE 106   2.972 -16.785  -5.786
  824   1HG2  ILE 106          1HG2      ILE 106   4.509 -15.292  -2.112
  825   2HG2  ILE 106          2HG2      ILE 106   5.414 -15.017  -3.602
  826   3HG2  ILE 106          3HG2      ILE 106   5.309 -16.641  -2.921
  827   1HD1  ILE 106          1HD1      ILE 106   4.465 -15.624  -6.939
  828   2HD1  ILE 106          2HD1      ILE 106   5.729 -16.627  -6.229
  829   3HD1  ILE 106          3HD1      ILE 106   5.277 -15.103  -5.460
  830    H    ASN 107           H        ASN 107   2.709 -17.731  -0.710
  831    HA   ASN 107           HA       ASN 107   2.082 -15.152   0.563
  832   1HB   ASN 107          2HB       ASN 107   1.764 -17.690   2.087
  833   2HB   ASN 107          1HB       ASN 107   0.864 -16.175   2.204
  834   1HD2  ASN 107          1HD2      ASN 107  -1.042 -16.093   1.362
  835   2HD2  ASN 107          2HD2      ASN 107  -1.706 -17.235   0.244
  836    H    THR 108           H        THR 108   3.169 -14.523   2.351
  837    HA   THR 108           HA       THR 108   5.201 -16.010   3.637
  838    HB   THR 108           HB       THR 108   6.594 -15.657   1.773
  839    HG1  THR 108           1HG      THR 108   8.178 -14.766   2.811
  840   1HG2  THR 108          1HG2      THR 108   6.285 -14.096   0.255
  841   2HG2  THR 108          2HG2      THR 108   6.716 -12.847   1.424
  842   3HG2  THR 108          3HG2      THR 108   5.037 -13.363   1.262
  843    H    GLU 109           H        GLU 109   5.775 -12.616   3.110
  844    HA   GLU 109           HA       GLU 109   4.134 -11.808   5.348
  845   1HB   GLU 109          2HB       GLU 109   7.149 -11.507   5.408
  846   2HB   GLU 109          1HB       GLU 109   6.044 -10.734   6.535
  847   1HG   GLU 109          2HG       GLU 109   6.355 -13.707   6.199
  848   2HG   GLU 109          1HG       GLU 109   7.139 -12.741   7.448
  849    H    ARG 110           H        ARG 110   6.427 -11.044   2.832
  850    HA   ARG 110           HA       ARG 110   5.329  -8.319   2.671
  851   1HB   ARG 110          2HB       ARG 110   7.894  -9.413   1.491
  852   2HB   ARG 110          1HB       ARG 110   7.333  -7.755   1.357
  853   1HG   ARG 110          2HG       ARG 110   8.976  -7.731   3.024
  854   2HG   ARG 110          1HG       ARG 110   7.438  -7.663   3.888
  855   1HD   ARG 110          2HD       ARG 110   7.569 -10.065   4.316
  856   2HD   ARG 110          1HD       ARG 110   9.093 -10.145   3.435
  857    HE   ARG 110           HE       ARG 110   9.362  -8.250   5.472
  858   1HH1  ARG 110          1HH1      ARG 110   8.916 -11.688   5.106
  859   2HH1  ARG 110          2HH1      ARG 110   9.737 -12.080   6.579
  860   1HH2  ARG 110          1HH2      ARG 110  10.444  -8.759   7.412
  861   2HH2  ARG 110          2HH2      ARG 110  10.605 -10.417   7.890
  862    H    LEU 111           H        LEU 111   5.000 -11.330   1.408
  863    HA   LEU 111           HA       LEU 111   3.791 -10.288  -1.023
  864   1HB   LEU 111          2HB       LEU 111   5.928 -10.765  -1.870
  865   2HB   LEU 111          1HB       LEU 111   6.060 -12.247  -0.947
  866    HG   LEU 111           HG       LEU 111   4.538 -13.385  -2.405
  867   1HD1  LEU 111          1HD1      LEU 111   4.014 -11.679  -4.520
  868   2HD1  LEU 111          2HD1      LEU 111   3.713 -10.700  -3.085
  869   3HD1  LEU 111          3HD1      LEU 111   2.864 -12.231  -3.302
  870   1HD2  LEU 111          1HD2      LEU 111   6.756 -11.837  -3.647
  871   2HD2  LEU 111          2HD2      LEU 111   5.711 -12.809  -4.682
  872   3HD2  LEU 111          3HD2      LEU 111   6.607 -13.571  -3.369
  873    H    THR 112           H        THR 112   1.790 -10.862  -0.250
  874    HA   THR 112           HA       THR 112   1.205 -13.742  -0.264
  875    HB   THR 112           HB       THR 112   1.146 -13.074   2.058
  876    HG1  THR 112           1HG      THR 112  -1.300 -13.203   2.315
  877   1HG2  THR 112          1HG2      THR 112  -1.049 -11.274   2.127
  878   2HG2  THR 112          2HG2      THR 112   0.210 -10.602   1.089
  879   3HG2  THR 112          3HG2      THR 112   0.587 -11.058   2.750
  880    H    VAL 113           H        VAL 113  -0.348 -14.240  -1.756
  881    HA   VAL 113           HA       VAL 113  -1.674 -12.046  -3.096
  882    HB   VAL 113           HB       VAL 113  -0.701 -14.158  -4.222
  883   1HG1  VAL 113          1HG1      VAL 113  -1.752 -15.937  -3.138
  884   2HG1  VAL 113          2HG1      VAL 113  -2.525 -15.840  -4.722
  885   3HG1  VAL 113          3HG1      VAL 113  -3.350 -15.208  -3.297
  886   1HG2  VAL 113          1HG2      VAL 113  -3.229 -13.857  -5.538
  887   2HG2  VAL 113          2HG2      VAL 113  -1.643 -13.238  -6.001
  888   3HG2  VAL 113          3HG2      VAL 113  -2.677 -12.298  -4.927
  889    HA   PRO 114           HA       PRO 114  -5.601 -14.272  -1.192
  890   1HB   PRO 114          2HB       PRO 114  -4.410 -15.311   1.307
  891   2HB   PRO 114          1HB       PRO 114  -5.607 -16.064   0.243
  892   1HG   PRO 114          2HG       PRO 114  -3.136 -16.989   0.288
  893   2HG   PRO 114          1HG       PRO 114  -3.977 -16.788  -1.267
  894   1HD   PRO 114          2HD       PRO 114  -1.972 -14.950   0.032
  895   2HD   PRO 114          1HD       PRO 114  -2.009 -15.576  -1.630
  896    H    HIS 115           H        HIS 115  -3.211 -12.316  -0.228
  897    HA   HIS 115           HA       HIS 115  -3.070 -10.373   0.896
  898   1HB   HIS 115          2HB       HIS 115  -5.857 -10.247   1.801
  899   2HB   HIS 115          1HB       HIS 115  -4.900  -9.057   0.937
  900    HD1  HIS 115           1HD      HIS 115  -4.690  -9.648  -1.774
  901    HD2  HIS 115           2HD      HIS 115  -7.807 -11.363   0.361
  902    HE1  HIS 115           1HE      HIS 115  -6.383 -10.362  -3.493
  903    HE2  HIS 115           2HE      HIS 115  -8.302 -11.294  -2.169
  904    H    TYR 116           H        TYR 116  -2.117 -10.211   2.780
  905    HA   TYR 116           HA       TYR 116  -3.286 -11.588   5.108
  906   1HB   TYR 116          2HB       TYR 116  -1.036 -12.411   4.485
  907   2HB   TYR 116          1HB       TYR 116  -0.401 -10.777   4.649
  908    HD1  TYR 116           1HD      TYR 116   1.004 -10.704   6.484
  909    HD2  TYR 116           2HD      TYR 116  -2.677 -12.812   6.808
  910    HE1  TYR 116           1HE      TYR 116   1.457 -11.118   8.864
  911    HE2  TYR 116           2HE      TYR 116  -2.234 -13.231   9.189
  912    HH   TYR 116           HH       TYR 116  -0.677 -13.142  10.816
  913    H    ASP 117           H        ASP 117  -4.080 -10.315   6.672
  914    HA   ASP 117           HA       ASP 117  -4.393  -8.560   8.085
  915   1HB   ASP 117          2HB       ASP 117  -2.021  -7.300   6.685
  916   2HB   ASP 117          1HB       ASP 117  -2.819  -6.652   8.116
  917    H    MET 118           H        MET 118  -4.832  -8.672   4.884
  918    HA   MET 118           HA       MET 118  -5.481  -6.093   4.058
  919   1HB   MET 118          2HB       MET 118  -6.818  -7.121   2.324
  920   2HB   MET 118          1HB       MET 118  -5.352  -8.072   2.544
  921   1HG   MET 118          2HG       MET 118  -8.131  -8.712   3.541
  922   2HG   MET 118          1HG       MET 118  -7.240  -9.535   2.263
  923   1HE   MET 118          1HE       MET 118  -8.619 -11.153   4.693
  924   2HE   MET 118          2HE       MET 118  -7.323 -12.319   4.969
  925   3HE   MET 118          3HE       MET 118  -7.746 -11.843   3.324
  926    H    LYS 119           H        LYS 119  -7.547  -8.542   5.621
  927    HA   LYS 119           HA       LYS 119  -9.945  -7.121   5.616
  928   1HB   LYS 119          2HB       LYS 119 -10.607  -8.564   7.499
  929   2HB   LYS 119          1HB       LYS 119  -9.826  -9.484   6.222
  930   1HG   LYS 119          2HG       LYS 119  -7.740  -9.484   7.501
  931   2HG   LYS 119          1HG       LYS 119  -8.538  -8.578   8.789
  932   1HD   LYS 119          2HD       LYS 119  -9.338 -11.323   7.817
  933   2HD   LYS 119          1HD       LYS 119  -8.417 -10.984   9.283
  934   1HE   LYS 119          2HE       LYS 119 -10.302  -9.701  10.169
  935   2HE   LYS 119          1HE       LYS 119 -11.220 -10.035   8.701
  936   1HZ   LYS 119          1HZ       LYS 119 -10.371 -11.947  10.795
  937   2HZ   LYS 119          2HZ       LYS 119 -10.901 -12.457   9.273
  938   3HZ   LYS 119          3HZ       LYS 119 -11.943 -11.589  10.282
  939    H    ASN 120           H        ASN 120  -7.109  -6.767   7.502
  940    HA   ASN 120           HA       ASN 120  -8.406  -4.992   9.423
  941   1HB   ASN 120          2HB       ASN 120  -6.960  -6.618  10.412
  942   2HB   ASN 120          1HB       ASN 120  -5.675  -6.275   9.264
  943   1HD2  ASN 120          1HD2      ASN 120  -4.057  -5.341  10.194
  944   2HD2  ASN 120          2HD2      ASN 120  -4.132  -4.127  11.429
  945    H    ARG 121           H        ARG 121  -7.780  -4.437   6.475
  946    HA   ARG 121           HA       ARG 121  -6.725  -1.767   6.929
  947   1HB   ARG 121          2HB       ARG 121  -5.476  -3.576   4.865
  948   2HB   ARG 121          1HB       ARG 121  -5.049  -1.905   5.184
  949   1HG   ARG 121          2HG       ARG 121  -4.278  -2.550   7.424
  950   2HG   ARG 121          1HG       ARG 121  -4.662  -4.233   7.050
  951   1HD   ARG 121          2HD       ARG 121  -3.141  -3.966   5.035
  952   2HD   ARG 121          1HD       ARG 121  -2.598  -2.462   5.774
  953    HE   ARG 121           HE       ARG 121  -1.735  -5.046   6.465
  954   1HH1  ARG 121          1HH1      ARG 121  -2.678  -2.037   7.956
  955   2HH1  ARG 121          2HH1      ARG 121  -1.711  -2.288   9.371
  956   1HH2  ARG 121          1HH2      ARG 121  -0.463  -5.381   8.325
  957   2HH2  ARG 121          2HH2      ARG 121  -0.452  -4.188   9.580
  958    H    GLY 122           H        GLY 122  -8.946  -1.207   6.345
  959   1HA   GLY 122          2HA       GLY 122  -9.971  -1.790   3.708
  960   2HA   GLY 122          1HA       GLY 122 -10.582  -0.566   4.829
  961    H    PHE 123           H        PHE 123  -7.512   0.120   4.884
  962    HA   PHE 123           HA       PHE 123  -7.730   2.178   2.850
  963   1HB   PHE 123          2HB       PHE 123  -5.639   3.064   3.938
  964   2HB   PHE 123          1HB       PHE 123  -7.045   2.986   4.989
  965    HD1  PHE 123           1HD      PHE 123  -4.078   0.925   4.033
  966    HD2  PHE 123           2HD      PHE 123  -6.791   2.115   7.088
  967    HE1  PHE 123           1HE      PHE 123  -2.785  -0.368   5.678
  968    HE2  PHE 123           2HE      PHE 123  -5.500   0.826   8.739
  969    HZ   PHE 123           HZ       PHE 123  -3.496  -0.418   8.035
  970    H    MET 124           H        MET 124  -7.314  -0.613   2.114
  971    HA   MET 124           HA       MET 124  -5.091  -0.184   0.314
  972   1HB   MET 124          2HB       MET 124  -5.132  -2.493   2.266
  973   2HB   MET 124          1HB       MET 124  -4.114  -2.445   0.834
  974   1HG   MET 124          2HG       MET 124  -3.086  -0.360   1.716
  975   2HG   MET 124          1HG       MET 124  -4.013  -0.588   3.195
  976   1HE   MET 124          1HE       MET 124  -1.382  -0.914   4.822
  977   2HE   MET 124          2HE       MET 124  -1.291  -0.021   3.303
  978   3HE   MET 124          3HE       MET 124  -0.132  -1.308   3.641
  979    H    LEU 125           H        LEU 125  -7.743  -2.177   1.444
  980    HA   LEU 125           HA       LEU 125  -7.914  -3.675  -1.001
  981   1HB   LEU 125          2HB       LEU 125  -9.764  -3.572   1.362
  982   2HB   LEU 125          1HB       LEU 125  -9.812  -4.749   0.069
  983    HG   LEU 125           HG       LEU 125  -7.581  -4.409   2.068
  984   1HD1  LEU 125          1HD1      LEU 125 -10.044  -5.937   2.067
  985   2HD1  LEU 125          2HD1      LEU 125  -8.906  -5.621   3.376
  986   3HD1  LEU 125          3HD1      LEU 125  -8.619  -6.958   2.263
  987   1HD2  LEU 125          1HD2      LEU 125  -7.684  -6.836   0.438
  988   2HD2  LEU 125          2HD2      LEU 125  -6.311  -5.823   0.882
  989   3HD2  LEU 125          3HD2      LEU 125  -7.339  -5.369  -0.477
  990    H    TRP 126           H        TRP 126  -9.621  -1.011   0.527
  991    HA   TRP 126           HA       TRP 126 -11.786  -0.921  -1.296
  992   1HB   TRP 126          2HB       TRP 126 -12.210   0.168   0.712
  993   2HB   TRP 126          1HB       TRP 126 -10.640   0.959   0.735
  994    HD1  TRP 126           HD       TRP 126 -11.162   3.415   0.791
  995    HE1  TRP 126           1HE      TRP 126 -12.590   5.048  -0.606
  996    HE3  TRP 126           3HE      TRP 126 -13.528   0.039  -2.225
  997    HZ2  TRP 126           2HZ      TRP 126 -14.476   4.910  -2.705
  998    HZ3  TRP 126           3HZ      TRP 126 -15.132   0.866  -3.896
  999    HH2  TRP 126           HH       TRP 126 -15.596   3.253  -4.131
 1000    HA   PRO 127           HA       PRO 127  -9.109   2.550  -3.497
 1001   1HB   PRO 127          2HB       PRO 127  -6.426   2.116  -3.302
 1002   2HB   PRO 127          1HB       PRO 127  -7.303   3.205  -2.218
 1003   1HG   PRO 127          2HG       PRO 127  -6.537   0.329  -1.793
 1004   2HG   PRO 127          1HG       PRO 127  -6.311   1.709  -0.700
 1005   1HD   PRO 127          2HD       PRO 127  -8.353   0.060  -0.326
 1006   2HD   PRO 127          1HD       PRO 127  -8.596   1.815  -0.176
 1007    H    LEU 128           H        LEU 128  -7.453  -0.569  -3.066
 1008    HA   LEU 128           HA       LEU 128  -6.749  -0.957  -5.768
 1009   1HB   LEU 128          2HB       LEU 128  -5.811  -2.167  -3.765
 1010   2HB   LEU 128          1HB       LEU 128  -7.304  -3.080  -3.685
 1011    HG   LEU 128           HG       LEU 128  -6.827  -3.940  -5.986
 1012   1HD1  LEU 128          1HD1      LEU 128  -3.998  -3.447  -5.911
 1013   2HD1  LEU 128          2HD1      LEU 128  -4.888  -1.926  -5.962
 1014   3HD1  LEU 128          3HD1      LEU 128  -5.155  -3.146  -7.208
 1015   1HD2  LEU 128          1HD2      LEU 128  -6.283  -5.164  -3.872
 1016   2HD2  LEU 128          2HD2      LEU 128  -4.640  -4.535  -4.002
 1017   3HD2  LEU 128          3HD2      LEU 128  -5.278  -5.600  -5.254
 1018    H    PHE 129           H        PHE 129  -9.691  -1.204  -4.056
 1019    HA   PHE 129           HA       PHE 129 -10.997  -3.040  -5.841
 1020   1HB   PHE 129          2HB       PHE 129 -11.662  -2.658  -3.425
 1021   2HB   PHE 129          1HB       PHE 129 -12.308  -1.099  -3.926
 1022    HD1  PHE 129           1HD      PHE 129 -14.180  -1.039  -5.589
 1023    HD2  PHE 129           2HD      PHE 129 -12.894  -4.642  -3.706
 1024    HE1  PHE 129           1HE      PHE 129 -16.306  -2.112  -6.204
 1025    HE2  PHE 129           2HE      PHE 129 -15.014  -5.720  -4.341
 1026    HZ   PHE 129           HZ       PHE 129 -16.723  -4.459  -5.584
 1027    H    GLU 130           H        GLU 130 -10.634   0.420  -5.493
 1028    HA   GLU 130           HA       GLU 130 -12.597   1.162  -7.416
 1029   1HB   GLU 130          2HB       GLU 130 -11.829   2.723  -5.695
 1030   2HB   GLU 130          1HB       GLU 130 -10.204   2.685  -6.364
 1031   1HG   GLU 130          2HG       GLU 130 -11.306   4.706  -7.040
 1032   2HG   GLU 130          1HG       GLU 130 -11.061   3.673  -8.447
 1033    H    ILE 131           H        ILE 131  -9.078   0.725  -7.528
 1034    HA   ILE 131           HA       ILE 131  -8.844   1.467 -10.265
 1035    HB   ILE 131           HB       ILE 131  -6.573   0.518 -10.146
 1036   1HG1  ILE 131          2HG1      ILE 131  -5.881  -0.133  -7.700
 1037   2HG1  ILE 131          1HG1      ILE 131  -7.588  -0.524  -7.521
 1038   1HG2  ILE 131          1HG2      ILE 131  -7.656   2.605  -8.469
 1039   2HG2  ILE 131          2HG2      ILE 131  -6.173   2.578  -9.424
 1040   3HG2  ILE 131          3HG2      ILE 131  -6.180   1.924  -7.786
 1041   1HD1  ILE 131          1HD1      ILE 131  -6.645  -1.700  -9.928
 1042   2HD1  ILE 131          2HD1      ILE 131  -7.243  -2.485  -8.468
 1043   3HD1  ILE 131          3HD1      ILE 131  -5.529  -2.102  -8.622
 1044    H    ALA 132           H        ALA 132  -9.731  -1.428  -8.621
 1045    HA   ALA 132           HA       ALA 132 -10.336  -2.721 -11.124
 1046   1HB   ALA 132          1HB       ALA 132  -8.327  -4.033  -9.300
 1047   2HB   ALA 132          2HB       ALA 132  -7.961  -3.292 -10.858
 1048   3HB   ALA 132          3HB       ALA 132  -9.003  -4.713 -10.780
 1049    HA   PRO 133           HA       PRO 133 -13.166  -3.945  -7.711
 1050   1HB   PRO 133          2HB       PRO 133 -15.465  -3.224  -8.883
 1051   2HB   PRO 133          1HB       PRO 133 -14.414  -2.034  -8.107
 1052   1HG   PRO 133          2HG       PRO 133 -14.777  -2.640 -11.003
 1053   2HG   PRO 133          1HG       PRO 133 -14.524  -1.080 -10.204
 1054   1HD   PRO 133          2HD       PRO 133 -12.559  -2.570 -11.492
 1055   2HD   PRO 133          1HD       PRO 133 -12.263  -1.277 -10.314
 1056    H    GLU 134           H        GLU 134 -11.993  -5.843  -9.306
 1057    HA   GLU 134           HA       GLU 134 -14.170  -7.692  -9.714
 1058   1HB   GLU 134          2HB       GLU 134 -13.531  -8.260 -12.033
 1059   2HB   GLU 134          1HB       GLU 134 -14.143  -6.618 -11.892
 1060   1HG   GLU 134          2HG       GLU 134 -11.843  -5.771 -11.902
 1061   2HG   GLU 134          1HG       GLU 134 -11.249  -7.421 -12.084
 1062    H    LEU 135           H        LEU 135 -11.119  -6.948  -8.791
 1063    HA   LEU 135           HA       LEU 135  -9.759  -9.406  -9.384
 1064   1HB   LEU 135          2HB       LEU 135  -8.548  -7.313  -9.087
 1065   2HB   LEU 135          1HB       LEU 135  -9.134  -7.185  -7.440
 1066    HG   LEU 135           HG       LEU 135  -7.854  -9.152  -6.797
 1067   1HD1  LEU 135          1HD1      LEU 135  -7.625 -10.621  -8.509
 1068   2HD1  LEU 135          2HD1      LEU 135  -6.083  -9.782  -8.690
 1069   3HD1  LEU 135          3HD1      LEU 135  -7.447  -9.352  -9.722
 1070   1HD2  LEU 135          1HD2      LEU 135  -5.529  -8.171  -7.490
 1071   2HD2  LEU 135          2HD2      LEU 135  -6.594  -7.275  -6.408
 1072   3HD2  LEU 135          3HD2      LEU 135  -6.509  -6.844  -8.116
 1073    H    VAL 136           H        VAL 136 -10.265 -11.259  -8.453
 1074    HA   VAL 136           HA       VAL 136 -10.353 -11.593  -5.620
 1075    HB   VAL 136           HB       VAL 136 -12.580 -10.793  -5.697
 1076   1HG1  VAL 136          1HG1      VAL 136 -12.839 -12.455  -8.190
 1077   2HG1  VAL 136          2HG1      VAL 136 -13.081 -10.719  -7.994
 1078   3HG1  VAL 136          3HG1      VAL 136 -14.246 -11.856  -7.313
 1079   1HG2  VAL 136          1HG2      VAL 136 -13.070 -13.737  -5.966
 1080   2HG2  VAL 136          2HG2      VAL 136 -13.790 -12.584  -4.842
 1081   3HG2  VAL 136          3HG2      VAL 136 -12.119 -13.103  -4.622
 1082    H    PHE 137           H        PHE 137  -9.693 -13.636  -5.159
 1083    HA   PHE 137           HA       PHE 137 -10.468 -16.012  -6.251
 1084   1HB   PHE 137          2HB       PHE 137  -9.731 -15.110  -8.418
 1085   2HB   PHE 137          1HB       PHE 137  -8.093 -15.005  -7.803
 1086    HD1  PHE 137           1HD      PHE 137  -6.765 -16.591  -8.801
 1087    HD2  PHE 137           2HD      PHE 137 -10.722 -17.649  -7.649
 1088    HE1  PHE 137           1HE      PHE 137  -6.350 -18.909  -9.516
 1089    HE2  PHE 137           2HE      PHE 137 -10.314 -19.968  -8.362
 1090    HZ   PHE 137           HZ       PHE 137  -8.117 -20.599  -9.296
 1091    HA   PRO 138           HA       PRO 138  -5.695 -16.390  -4.671
 1092   1HB   PRO 138          2HB       PRO 138  -6.163 -14.049  -2.856
 1093   2HB   PRO 138          1HB       PRO 138  -4.644 -14.666  -3.518
 1094   1HG   PRO 138          2HG       PRO 138  -5.790 -12.534  -4.593
 1095   2HG   PRO 138          1HG       PRO 138  -5.044 -13.768  -5.624
 1096   1HD   PRO 138          2HD       PRO 138  -7.922 -13.196  -5.130
 1097   2HD   PRO 138          1HD       PRO 138  -7.130 -13.841  -6.585
 1098    H    ASP 139           H        ASP 139  -8.067 -14.871  -2.578
 1099    HA   ASP 139           HA       ASP 139  -8.082 -17.264  -0.859
 1100   1HB   ASP 139          2HB       ASP 139  -8.812 -15.832   0.968
 1101   2HB   ASP 139          1HB       ASP 139  -7.338 -15.168   0.267
 1102    H    GLY 140           H        GLY 140  -9.777 -15.451  -3.109
 1103   1HA   GLY 140          2HA       GLY 140 -11.808 -16.162  -4.078
 1104   2HA   GLY 140          1HA       GLY 140 -12.223 -16.964  -2.570
 1105    H    GLU 141           H        GLU 141 -11.045 -13.665  -2.699
 1106    HA   GLU 141           HA       GLU 141 -13.708 -12.544  -2.580
 1107   1HB   GLU 141          2HB       GLU 141 -11.876 -12.288  -0.192
 1108   2HB   GLU 141          1HB       GLU 141 -13.398 -11.440  -0.405
 1109   1HG   GLU 141          2HG       GLU 141 -14.450 -13.758  -0.550
 1110   2HG   GLU 141          1HG       GLU 141 -12.925 -14.340   0.107
 1111    H    MET 142           H        MET 142 -13.769 -10.485  -3.304
 1112    HA   MET 142           HA       MET 142 -11.462  -9.307  -4.417
 1113   1HB   MET 142          2HB       MET 142 -14.075  -7.994  -3.671
 1114   2HB   MET 142          1HB       MET 142 -12.817  -7.244  -4.639
 1115   1HG   MET 142          2HG       MET 142 -13.108  -8.903  -6.359
 1116   2HG   MET 142          1HG       MET 142 -14.288  -9.740  -5.360
 1117   1HE   MET 142          1HE       MET 142 -16.630  -8.412  -8.110
 1118   2HE   MET 142          2HE       MET 142 -15.756  -9.790  -7.438
 1119   3HE   MET 142          3HE       MET 142 -14.930  -8.659  -8.510
 1120    H    LEU 143           H        LEU 143 -10.300  -7.489  -3.706
 1121    HA   LEU 143           HA       LEU 143  -9.316  -7.528  -1.199
 1122   1HB   LEU 143          2HB       LEU 143  -9.388  -4.777  -1.843
 1123   2HB   LEU 143          1HB       LEU 143  -8.048  -5.890  -1.985
 1124    HG   LEU 143           HG       LEU 143  -8.468  -4.622  -4.044
 1125   1HD1  LEU 143          1HD1      LEU 143  -8.613  -6.615  -5.589
 1126   2HD1  LEU 143          2HD1      LEU 143  -8.838  -7.599  -4.143
 1127   3HD1  LEU 143          3HD1      LEU 143  -7.355  -6.670  -4.355
 1128   1HD2  LEU 143          1HD2      LEU 143 -10.691  -4.191  -4.287
 1129   2HD2  LEU 143          2HD2      LEU 143 -11.180  -5.797  -3.751
 1130   3HD2  LEU 143          3HD2      LEU 143 -10.531  -5.570  -5.375
 1131    H    ARG 144           H        ARG 144 -11.683  -5.059  -2.167
 1132    HA   ARG 144           HA       ARG 144 -12.185  -4.072   0.344
 1133   1HB   ARG 144          2HB       ARG 144 -12.875  -2.972  -1.723
 1134   2HB   ARG 144          1HB       ARG 144 -14.125  -4.187  -1.950
 1135   1HG   ARG 144          2HG       ARG 144 -15.129  -3.465   0.212
 1136   2HG   ARG 144          1HG       ARG 144 -13.948  -2.156   0.265
 1137   1HD   ARG 144          2HD       ARG 144 -14.808  -1.275  -1.836
 1138   2HD   ARG 144          1HD       ARG 144 -15.960  -2.606  -1.936
 1139    HE   ARG 144           HE       ARG 144 -16.334  -1.261   0.498
 1140   1HH1  ARG 144          1HH1      ARG 144 -16.762  -0.768  -2.924
 1141   2HH1  ARG 144          2HH1      ARG 144 -18.081   0.339  -2.730
 1142   1HH2  ARG 144          1HH2      ARG 144 -18.070   0.194   0.763
 1143   2HH2  ARG 144          2HH2      ARG 144 -18.824   0.886  -0.634
 1144    H    GLN 145           H        GLN 145 -13.913  -6.817  -1.206
 1145    HA   GLN 145           HA       GLN 145 -16.025  -7.120   0.518
 1146   1HB   GLN 145          2HB       GLN 145 -14.374  -9.562   0.017
 1147   2HB   GLN 145          1HB       GLN 145 -16.120  -9.366  -0.050
 1148   1HG   GLN 145          2HG       GLN 145 -14.184  -8.255  -2.043
 1149   2HG   GLN 145          1HG       GLN 145 -15.087  -9.760  -2.243
 1150   1HE2  GLN 145          1HE2      GLN 145 -15.022  -6.507  -2.816
 1151   2HE2  GLN 145          2HE2      GLN 145 -16.669  -6.273  -3.260
 1152    H    ILE 146           H        ILE 146 -12.717  -8.178   0.994
 1153    HA   ILE 146           HA       ILE 146 -12.977  -9.317   3.522
 1154    HB   ILE 146           HB       ILE 146 -10.491  -7.872   2.689
 1155   1HG1  ILE 146          2HG1      ILE 146 -11.111 -10.611   1.637
 1156   2HG1  ILE 146          1HG1      ILE 146 -11.662  -9.189   0.757
 1157   1HG2  ILE 146          1HG2      ILE 146 -10.970 -10.559   3.968
 1158   2HG2  ILE 146          2HG2      ILE 146 -10.588  -9.072   4.834
 1159   3HG2  ILE 146          3HG2      ILE 146  -9.408  -9.774   3.729
 1160   1HD1  ILE 146          1HD1      ILE 146  -9.338  -8.383   0.685
 1161   2HD1  ILE 146          2HD1      ILE 146  -9.582  -9.917  -0.151
 1162   3HD1  ILE 146          3HD1      ILE 146  -8.829  -9.892   1.444
 1163    H    LEU 147           H        LEU 147 -12.364  -5.955   2.499
 1164    HA   LEU 147           HA       LEU 147 -11.997  -5.133   5.274
 1165   1HB   LEU 147          2HB       LEU 147 -11.154  -3.174   4.482
 1166   2HB   LEU 147          1HB       LEU 147 -10.837  -4.215   3.109
 1167    HG   LEU 147           HG       LEU 147 -13.189  -3.314   2.305
 1168   1HD1  LEU 147          1HD1      LEU 147 -12.684  -1.738   4.617
 1169   2HD1  LEU 147          2HD1      LEU 147 -14.044  -1.654   3.496
 1170   3HD1  LEU 147          3HD1      LEU 147 -12.590  -0.703   3.193
 1171   1HD2  LEU 147          1HD2      LEU 147 -11.337  -2.996   0.944
 1172   2HD2  LEU 147          2HD2      LEU 147 -10.523  -1.979   2.132
 1173   3HD2  LEU 147          3HD2      LEU 147 -11.931  -1.368   1.264
 1174    H    HIS 148           H        HIS 148 -14.307  -4.329   2.685
 1175    HA   HIS 148           HA       HIS 148 -15.957  -2.603   4.001
 1176   1HB   HIS 148          2HB       HIS 148 -16.078  -3.296   1.592
 1177   2HB   HIS 148          1HB       HIS 148 -16.907  -4.758   2.109
 1178    HD1  HIS 148           1HD      HIS 148 -18.747  -3.639   0.406
 1179    HD2  HIS 148           2HD      HIS 148 -18.238  -1.830   4.111
 1180    HE1  HIS 148           1HE      HIS 148 -20.790  -2.215   0.744
 1181    HE2  HIS 148           2HE      HIS 148 -20.509  -1.213   3.039
 1182    H    THR 149           H        THR 149 -15.560  -5.978   4.617
 1183    HA   THR 149           HA       THR 149 -17.974  -5.922   6.302
 1184    HB   THR 149           HB       THR 149 -18.069  -8.322   6.089
 1185    HG1  THR 149           1HG      THR 149 -15.469  -8.028   5.406
 1186   1HG2  THR 149          1HG2      THR 149 -17.372  -7.566   3.290
 1187   2HG2  THR 149          2HG2      THR 149 -18.753  -6.798   4.080
 1188   3HG2  THR 149          3HG2      THR 149 -18.705  -8.552   3.898
 1189    H    ARG 150           H        ARG 150 -14.517  -6.466   6.256
 1190    HA   ARG 150           HA       ARG 150 -14.633  -7.076   9.137
 1191   1HB   ARG 150          2HB       ARG 150 -12.485  -7.822   7.160
 1192   2HB   ARG 150          1HB       ARG 150 -12.541  -8.277   8.859
 1193   1HG   ARG 150          2HG       ARG 150 -14.232  -9.798   8.542
 1194   2HG   ARG 150          1HG       ARG 150 -14.824  -8.996   7.086
 1195   1HD   ARG 150          2HD       ARG 150 -13.040  -9.834   5.785
 1196   2HD   ARG 150          1HD       ARG 150 -12.153 -10.356   7.209
 1197    HE   ARG 150           HE       ARG 150 -14.042 -11.867   5.787
 1198   1HH1  ARG 150          1HH1      ARG 150 -13.134 -11.124   9.072
 1199   2HH1  ARG 150          2HH1      ARG 150 -13.738 -12.617   9.709
 1200   1HH2  ARG 150          1HH2      ARG 150 -14.836 -13.833   6.624
 1201   2HH2  ARG 150          2HH2      ARG 150 -14.700 -14.155   8.320
 1202    H    ALA 151           H        ALA 151 -14.256  -4.312   7.635
 1203    HA   ALA 151           HA       ALA 151 -12.192  -3.455   9.486
 1204   1HB   ALA 151          1HB       ALA 151 -10.622  -3.663   7.874
 1205   2HB   ALA 151          2HB       ALA 151 -11.269  -2.104   7.361
 1206   3HB   ALA 151          3HB       ALA 151 -11.801  -3.585   6.563
 1207    H    PHE 152           H        PHE 152 -13.118  -1.686   6.611
 1208    HA   PHE 152           HA       PHE 152 -14.708   0.093   8.328
 1209   1HB   PHE 152          2HB       PHE 152 -12.876   0.756   6.029
 1210   2HB   PHE 152          1HB       PHE 152 -14.004   1.890   6.740
 1211    HD1  PHE 152           1HD      PHE 152 -13.030   3.426   8.131
 1212    HD2  PHE 152           2HD      PHE 152 -11.469  -0.533   8.026
 1213    HE1  PHE 152           1HE      PHE 152 -11.340   4.049   9.808
 1214    HE2  PHE 152           2HE      PHE 152  -9.781   0.083   9.705
 1215    HZ   PHE 152           HZ       PHE 152  -9.713   2.376  10.598
 1216    H    ASP 153           H        ASP 153 -15.822   1.731   6.537
 1217    HA   ASP 153           HA       ASP 153 -17.339  -0.029   4.732
 1218   1HB   ASP 153          2HB       ASP 153 -18.402   2.238   6.433
 1219   2HB   ASP 153          1HB       ASP 153 -19.339   1.372   5.221
 1220    H    LYS 154           H        LYS 154 -15.340   0.988   3.505
 1221    HA   LYS 154           HA       LYS 154 -14.717   2.206   1.691
 1222   1HB   LYS 154          2HB       LYS 154 -17.023   1.835   0.918
 1223   2HB   LYS 154          1HB       LYS 154 -17.549   3.263   1.790
 1224   1HG   LYS 154          2HG       LYS 154 -15.408   3.514  -0.267
 1225   2HG   LYS 154          1HG       LYS 154 -17.090   3.362  -0.771
 1226   1HD   LYS 154          2HD       LYS 154 -16.008   5.448   1.123
 1227   2HD   LYS 154          1HD       LYS 154 -16.379   5.710  -0.581
 1228   1HE   LYS 154          2HE       LYS 154 -18.725   5.160  -0.154
 1229   2HE   LYS 154          1HE       LYS 154 -18.353   4.889   1.548
 1230   1HZ   LYS 154          1HZ       LYS 154 -17.513   7.462   0.554
 1231   2HZ   LYS 154          2HZ       LYS 154 -18.355   7.070   1.968
 1232   3HZ   LYS 154          3HZ       LYS 154 -19.187   7.226   0.504
 1233    H    LEU 155           H        LEU 155 -13.214   3.659   2.121
 1234    HA   LEU 155           HA       LEU 155 -13.616   5.803   3.996
 1235   1HB   LEU 155          2HB       LEU 155 -11.280   5.257   2.163
 1236   2HB   LEU 155          1HB       LEU 155 -11.288   6.374   3.513
 1237    HG   LEU 155           HG       LEU 155 -11.507   3.359   3.681
 1238   1HD1  LEU 155          1HD1      LEU 155  -9.285   3.518   3.549
 1239   2HD1  LEU 155          2HD1      LEU 155  -9.371   4.177   5.183
 1240   3HD1  LEU 155          3HD1      LEU 155  -9.300   5.265   3.796
 1241   1HD2  LEU 155          1HD2      LEU 155 -11.834   5.520   5.732
 1242   2HD2  LEU 155          2HD2      LEU 155 -11.196   3.940   6.186
 1243   3HD2  LEU 155          3HD2      LEU 155 -12.803   4.071   5.471
 1244    H    ASN 156           H        ASN 156 -12.668   8.071   3.251
 1245    HA   ASN 156           HA       ASN 156 -14.035   8.753   0.730
 1246   1HB   ASN 156          2HB       ASN 156 -13.691  10.403   3.242
 1247   2HB   ASN 156          1HB       ASN 156 -14.339  11.029   1.730
 1248   1HD2  ASN 156          1HD2      ASN 156 -15.387   7.969   1.749
 1249   2HD2  ASN 156          2HD2      ASN 156 -16.900   8.163   2.555
 1250    H    LYS 157           H        LYS 157 -12.847   9.634  -0.835
 1251    HA   LYS 157           HA       LYS 157 -10.065   9.826  -0.662
 1252   1HB   LYS 157          2HB       LYS 157 -12.022  10.957  -2.649
 1253   2HB   LYS 157          1HB       LYS 157 -10.287  11.187  -2.801
 1254   1HG   LYS 157          2HG       LYS 157 -11.043   9.341  -4.181
 1255   2HG   LYS 157          1HG       LYS 157  -9.960   8.775  -2.913
 1256   1HD   LYS 157          2HD       LYS 157 -11.835   7.255  -3.157
 1257   2HD   LYS 157          1HD       LYS 157 -11.907   8.064  -1.589
 1258   1HE   LYS 157          2HE       LYS 157 -14.107   7.932  -2.666
 1259   2HE   LYS 157          1HE       LYS 157 -13.585   9.597  -2.424
 1260   1HZ   LYS 157          1HZ       LYS 157 -14.560   9.254  -4.619
 1261   2HZ   LYS 157          2HZ       LYS 157 -13.383   8.094  -4.979
 1262   3HZ   LYS 157          3HZ       LYS 157 -12.935   9.707  -4.738
 1263    H    TRP 158           H        TRP 158  -9.261  11.073   0.888
 1264    HA   TRP 158           HA       TRP 158  -8.954  12.876   2.265
 1265   1HB   TRP 158          2HB       TRP 158  -7.363  13.021   0.334
 1266   2HB   TRP 158          1HB       TRP 158  -8.484  14.128  -0.450
 1267    HD1  TRP 158           HD       TRP 158  -7.472  14.265   3.280
 1268    HE1  TRP 158           1HE      TRP 158  -6.354  16.541   3.719
 1269    HE3  TRP 158           3HE      TRP 158  -7.369  16.059  -1.508
 1270    HZ2  TRP 158           2HZ      TRP 158  -5.533  18.796   2.234
 1271    HZ3  TRP 158           3HZ      TRP 158  -6.397  18.283  -1.913
 1272    HH2  TRP 158           HH       TRP 158  -5.500  19.622  -0.080
  Start of MODEL    7
    1   1H    THR   1          1HT       THR   1   3.854  -8.649 -14.215
    2   2H    THR   1          2HT       THR   1   2.736  -9.089 -15.404
    3   3H    THR   1          3HT       THR   1   3.832 -10.233 -14.809
    4    HA   THR   1           HA       THR   1   1.420 -10.278 -13.968
    5    HB   THR   1           HB       THR   1   3.825 -10.324 -12.131
    6    HG1  THR   1           1HG      THR   1   4.127 -12.320 -12.828
    7   1HG2  THR   1          1HG2      THR   1   1.856 -10.356 -10.759
    8   2HG2  THR   1          2HG2      THR   1   2.555 -11.975 -10.817
    9   3HG2  THR   1          3HG2      THR   1   1.124 -11.598 -11.778
   10    H    VAL   2           H        VAL   2  -0.075  -8.827 -13.432
   11    HA   VAL   2           HA       VAL   2   0.556  -6.281 -12.317
   12    HB   VAL   2           HB       VAL   2  -2.144  -7.632 -12.513
   13   1HG1  VAL   2          1HG1      VAL   2  -2.795  -5.891 -11.270
   14   2HG1  VAL   2          2HG1      VAL   2  -2.532  -4.924 -12.721
   15   3HG1  VAL   2          3HG1      VAL   2  -1.266  -5.041 -11.499
   16   1HG2  VAL   2          1HG2      VAL   2  -0.483  -6.151 -14.481
   17   2HG2  VAL   2          2HG2      VAL   2  -2.226  -5.884 -14.499
   18   3HG2  VAL   2          3HG2      VAL   2  -1.581  -7.510 -14.722
   19    H    ALA   3           H        ALA   3   1.409  -6.280 -10.315
   20    HA   ALA   3           HA       ALA   3   0.112  -7.904  -8.246
   21   1HB   ALA   3          1HB       ALA   3   2.569  -6.512  -7.501
   22   2HB   ALA   3          2HB       ALA   3   2.762  -7.636  -8.845
   23   3HB   ALA   3          3HB       ALA   3   2.119  -8.205  -7.306
   24    H    TYR   4           H        TYR   4  -1.075  -6.992  -6.705
   25    HA   TYR   4           HA       TYR   4  -1.470  -4.140  -6.743
   26   1HB   TYR   4          2HB       TYR   4  -3.440  -5.457  -6.406
   27   2HB   TYR   4          1HB       TYR   4  -2.701  -6.308  -5.049
   28    HD1  TYR   4           1HD      TYR   4  -3.671  -5.707  -3.035
   29    HD2  TYR   4           2HD      TYR   4  -3.063  -2.705  -5.987
   30    HE1  TYR   4           1HE      TYR   4  -4.530  -4.007  -1.482
   31    HE2  TYR   4           2HE      TYR   4  -3.925  -1.000  -4.442
   32    HH   TYR   4           HH       TYR   4  -5.312  -0.826  -2.480
   33    H    ILE   5           H        ILE   5  -0.079  -2.890  -5.833
   34    HA   ILE   5           HA       ILE   5   1.233  -3.649  -3.329
   35    HB   ILE   5           HB       ILE   5   1.983  -1.085  -4.516
   36   1HG1  ILE   5          2HG1      ILE   5   2.355  -3.619  -6.126
   37   2HG1  ILE   5          1HG1      ILE   5   1.389  -2.231  -6.583
   38   1HG2  ILE   5          1HG2      ILE   5   3.105  -2.876  -2.816
   39   2HG2  ILE   5          2HG2      ILE   5   3.993  -1.614  -3.669
   40   3HG2  ILE   5          3HG2      ILE   5   3.948  -3.251  -4.319
   41   1HD1  ILE   5          1HD1      ILE   5   4.327  -1.986  -6.088
   42   2HD1  ILE   5          2HD1      ILE   5   3.261  -0.917  -7.001
   43   3HD1  ILE   5          3HD1      ILE   5   3.685  -2.503  -7.648
   44    H    ALA   6           H        ALA   6   1.055  -2.363  -1.495
   45    HA   ALA   6           HA       ALA   6  -1.208  -0.489  -1.498
   46   1HB   ALA   6          1HB       ALA   6  -0.280  -1.133   1.138
   47   2HB   ALA   6          2HB       ALA   6  -0.533  -2.610   0.210
   48   3HB   ALA   6          3HB       ALA   6  -1.848  -1.452   0.397
   49    H    ILE   7           H        ILE   7  -0.921   1.623  -1.101
   50    HA   ILE   7           HA       ILE   7   1.781   2.518  -0.335
   51    HB   ILE   7           HB       ILE   7  -0.393   4.063  -1.756
   52   1HG1  ILE   7          2HG1      ILE   7   2.224   2.957  -2.802
   53   2HG1  ILE   7          1HG1      ILE   7   0.634   2.276  -3.129
   54   1HG2  ILE   7          1HG2      ILE   7   0.774   5.733  -0.715
   55   2HG2  ILE   7          2HG2      ILE   7   1.740   5.553  -2.181
   56   3HG2  ILE   7          3HG2      ILE   7   2.276   4.810  -0.673
   57   1HD1  ILE   7          1HD1      ILE   7   1.447   5.068  -3.890
   58   2HD1  ILE   7          2HD1      ILE   7  -0.007   4.197  -4.380
   59   3HD1  ILE   7          3HD1      ILE   7   1.575   3.672  -4.960
   60    H    GLY   8           H        GLY   8   2.090   3.651   1.508
   61   1HA   GLY   8          2HA       GLY   8  -0.182   4.962   2.788
   62   2HA   GLY   8          1HA       GLY   8   0.570   3.652   3.681
   63    H    SER   9           H        SER   9   0.574   6.949   3.107
   64    HA   SER   9           HA       SER   9   3.177   7.225   4.472
   65   1HB   SER   9          2HB       SER   9   2.043   9.062   2.344
   66   2HB   SER   9          1HB       SER   9   3.543   9.327   3.233
   67    HG   SER   9           HG       SER   9   3.055   7.730   1.083
   68    H    ASN  10           H        ASN  10   3.288   8.845   6.073
   69    HA   ASN  10           HA       ASN  10   0.868  10.388   6.602
   70   1HB   ASN  10          2HB       ASN  10   0.859   9.701   8.987
   71   2HB   ASN  10          1HB       ASN  10   0.495   8.378   7.885
   72   1HD2  ASN  10          1HD2      ASN  10   1.546   6.557   8.188
   73   2HD2  ASN  10          2HD2      ASN  10   3.018   6.366   9.072
   74    H    LEU  11           H        LEU  11   1.339  12.398   7.057
   75    HA   LEU  11           HA       LEU  11   3.147  13.377   8.897
   76   1HB   LEU  11          2HB       LEU  11   4.820  12.372   7.292
   77   2HB   LEU  11          1HB       LEU  11   4.290  13.539   6.102
   78    HG   LEU  11           HG       LEU  11   6.453  13.983   7.465
   79   1HD1  LEU  11          1HD1      LEU  11   5.769  15.649   5.991
   80   2HD1  LEU  11          2HD1      LEU  11   5.858  16.467   7.551
   81   3HD1  LEU  11          3HD1      LEU  11   4.294  15.979   6.900
   82   1HD2  LEU  11          1HD2      LEU  11   4.746  13.751   9.597
   83   2HD2  LEU  11          2HD2      LEU  11   4.895  15.498   9.405
   84   3HD2  LEU  11          3HD2      LEU  11   6.339  14.510   9.629
   85    H    ALA  12           H        ALA  12   3.383  15.774   8.726
   86    HA   ALA  12           HA       ALA  12   1.064  17.111   8.288
   87   1HB   ALA  12          1HB       ALA  12   3.485  17.864   9.147
   88   2HB   ALA  12          2HB       ALA  12   2.212  19.012   8.729
   89   3HB   ALA  12          3HB       ALA  12   3.486  18.643   7.565
   90    H    SER  13           H        SER  13   3.428  16.220   5.891
   91    HA   SER  13           HA       SER  13   1.601  17.109   3.782
   92   1HB   SER  13          2HB       SER  13   3.537  17.854   2.420
   93   2HB   SER  13          1HB       SER  13   3.358  18.804   3.894
   94    HG   SER  13           HG       SER  13   4.914  16.751   4.471
   95    HA   PRO  14           HA       PRO  14   2.646  12.623   3.373
   96   1HB   PRO  14          2HB       PRO  14   0.307  12.069   2.041
   97   2HB   PRO  14          1HB       PRO  14   0.493  12.009   3.796
   98   1HG   PRO  14          2HG       PRO  14  -0.635  14.187   2.082
   99   2HG   PRO  14          1HG       PRO  14  -1.223  13.564   3.635
  100   1HD   PRO  14          2HD       PRO  14   0.154  15.857   3.481
  101   2HD   PRO  14          1HD       PRO  14   0.359  14.744   4.850
  102    H    LEU  15           H        LEU  15   1.553  14.993   1.027
  103    HA   LEU  15           HA       LEU  15   1.824  13.667  -1.351
  104   1HB   LEU  15          2HB       LEU  15   1.085  15.996  -1.142
  105   2HB   LEU  15          1HB       LEU  15   2.723  16.484  -0.748
  106    HG   LEU  15           HG       LEU  15   3.459  15.775  -3.000
  107   1HD1  LEU  15          1HD1      LEU  15   1.911  15.134  -4.688
  108   2HD1  LEU  15          2HD1      LEU  15   0.536  15.418  -3.621
  109   3HD1  LEU  15          3HD1      LEU  15   1.639  14.080  -3.299
  110   1HD2  LEU  15          1HD2      LEU  15   1.809  17.999  -2.318
  111   2HD2  LEU  15          2HD2      LEU  15   1.469  17.519  -3.980
  112   3HD2  LEU  15          3HD2      LEU  15   3.120  17.909  -3.494
  113    H    GLU  16           H        GLU  16   4.401  14.949   0.690
  114    HA   GLU  16           HA       GLU  16   6.497  14.505  -1.172
  115   1HB   GLU  16          2HB       GLU  16   6.599  14.783   1.834
  116   2HB   GLU  16          1HB       GLU  16   7.994  14.834   0.764
  117   1HG   GLU  16          2HG       GLU  16   7.045  16.819  -0.337
  118   2HG   GLU  16          1HG       GLU  16   5.700  16.783   0.803
  119    H    GLN  17           H        GLN  17   5.596  12.698   1.787
  120    HA   GLN  17           HA       GLN  17   7.453  10.636   1.444
  121   1HB   GLN  17          2HB       GLN  17   4.757  10.305   2.752
  122   2HB   GLN  17          1HB       GLN  17   6.245   9.439   3.111
  123   1HG   GLN  17          2HG       GLN  17   5.690  12.350   3.639
  124   2HG   GLN  17          1HG       GLN  17   5.798  11.060   4.835
  125   1HE2  GLN  17          1HE2      GLN  17   8.078   9.981   3.036
  126   2HE2  GLN  17          2HE2      GLN  17   9.443  10.900   3.555
  127    H    VAL  18           H        VAL  18   4.046  10.800   0.463
  128    HA   VAL  18           HA       VAL  18   3.760   8.275  -0.612
  129    HB   VAL  18           HB       VAL  18   2.579  10.835  -1.721
  130   1HG1  VAL  18          1HG1      VAL  18   0.969   9.523  -2.820
  131   2HG1  VAL  18          2HG1      VAL  18   1.446   8.063  -1.953
  132   3HG1  VAL  18          3HG1      VAL  18   2.513   8.751  -3.178
  133   1HG2  VAL  18          1HG2      VAL  18   1.267  10.905   0.068
  134   2HG2  VAL  18          2HG2      VAL  18   2.197   9.582   0.770
  135   3HG2  VAL  18          3HG2      VAL  18   0.763   9.236  -0.196
  136    H    ASN  19           H        ASN  19   5.327  11.122  -1.954
  137    HA   ASN  19           HA       ASN  19   5.736  10.099  -4.565
  138   1HB   ASN  19          2HB       ASN  19   7.183  12.245  -3.004
  139   2HB   ASN  19          1HB       ASN  19   7.536  11.865  -4.686
  140   1HD2  ASN  19          1HD2      ASN  19   4.328  11.309  -4.309
  141   2HD2  ASN  19          2HD2      ASN  19   3.709  12.849  -4.786
  142    H    ALA  20           H        ALA  20   7.503   9.831  -1.541
  143    HA   ALA  20           HA       ALA  20   9.981   8.929  -2.339
  144   1HB   ALA  20          1HB       ALA  20  10.270   8.388  -0.187
  145   2HB   ALA  20          2HB       ALA  20   8.851   7.341  -0.165
  146   3HB   ALA  20          3HB       ALA  20   8.666   9.083   0.049
  147    H    ALA  21           H        ALA  21   7.123   6.952  -1.699
  148    HA   ALA  21           HA       ALA  21   8.297   4.578  -2.768
  149   1HB   ALA  21          1HB       ALA  21   6.101   3.580  -2.461
  150   2HB   ALA  21          2HB       ALA  21   5.399   5.175  -2.181
  151   3HB   ALA  21          3HB       ALA  21   6.565   4.511  -1.036
  152    H    LEU  22           H        LEU  22   6.003   6.993  -3.970
  153    HA   LEU  22           HA       LEU  22   5.351   5.707  -6.393
  154   1HB   LEU  22          2HB       LEU  22   5.340   8.613  -5.592
  155   2HB   LEU  22          1HB       LEU  22   4.772   8.062  -7.153
  156    HG   LEU  22           HG       LEU  22   3.600   7.328  -4.470
  157   1HD1  LEU  22          1HD1      LEU  22   2.968   9.345  -6.534
  158   2HD1  LEU  22          2HD1      LEU  22   2.706   9.379  -4.789
  159   3HD1  LEU  22          3HD1      LEU  22   1.606   8.475  -5.829
  160   1HD2  LEU  22          1HD2      LEU  22   3.500   5.930  -6.941
  161   2HD2  LEU  22          2HD2      LEU  22   1.913   6.640  -6.644
  162   3HD2  LEU  22          3HD2      LEU  22   2.643   5.577  -5.441
  163    H    LYS  23           H        LYS  23   8.171   7.165  -5.307
  164    HA   LYS  23           HA       LYS  23   9.231   8.030  -7.829
  165   1HB   LYS  23          2HB       LYS  23   9.940   9.128  -5.810
  166   2HB   LYS  23          1HB       LYS  23  10.443   7.603  -5.098
  167   1HG   LYS  23          2HG       LYS  23  12.225   7.420  -6.764
  168   2HG   LYS  23          1HG       LYS  23  11.724   8.967  -7.454
  169   1HD   LYS  23          2HD       LYS  23  12.501   8.623  -4.567
  170   2HD   LYS  23          1HD       LYS  23  13.659   9.064  -5.829
  171   1HE   LYS  23          2HE       LYS  23  12.325  11.051  -6.348
  172   2HE   LYS  23          1HE       LYS  23  11.165  10.602  -5.099
  173   1HZ   LYS  23          1HZ       LYS  23  13.337  12.203  -4.758
  174   2HZ   LYS  23          2HZ       LYS  23  13.856  10.723  -4.122
  175   3HZ   LYS  23          3HZ       LYS  23  12.456  11.457  -3.521
  176    H    ALA  24           H        ALA  24  10.118   5.424  -5.560
  177    HA   ALA  24           HA       ALA  24  11.821   4.106  -7.426
  178   1HB   ALA  24          1HB       ALA  24  11.188   3.868  -4.675
  179   2HB   ALA  24          2HB       ALA  24  12.490   3.085  -5.572
  180   3HB   ALA  24          3HB       ALA  24  10.921   2.292  -5.425
  181    H    LEU  25           H        LEU  25   8.492   3.636  -6.364
  182    HA   LEU  25           HA       LEU  25   8.028   1.236  -7.782
  183   1HB   LEU  25          2HB       LEU  25   6.653   2.441  -5.890
  184   2HB   LEU  25          1HB       LEU  25   5.838   3.195  -7.246
  185    HG   LEU  25           HG       LEU  25   5.267   0.934  -8.112
  186   1HD1  LEU  25          1HD1      LEU  25   5.981  -0.205  -5.453
  187   2HD1  LEU  25          2HD1      LEU  25   7.234  -0.056  -6.685
  188   3HD1  LEU  25          3HD1      LEU  25   5.786  -1.009  -7.011
  189   1HD2  LEU  25          1HD2      LEU  25   3.401   0.709  -6.757
  190   2HD2  LEU  25          2HD2      LEU  25   3.872   2.385  -6.473
  191   3HD2  LEU  25          3HD2      LEU  25   4.284   1.143  -5.293
  192    H    GLY  26           H        GLY  26   7.482   4.652  -8.559
  193   1HA   GLY  26          2HA       GLY  26   6.129   4.414 -10.961
  194   2HA   GLY  26          1HA       GLY  26   7.270   5.705 -10.595
  195    H    ASP  27           H        ASP  27   9.608   4.260 -10.346
  196    HA   ASP  27           HA       ASP  27   9.922   2.943 -12.952
  197   1HB   ASP  27          2HB       ASP  27  10.759   5.265 -13.116
  198   2HB   ASP  27          1HB       ASP  27  11.840   4.962 -11.759
  199    H    ILE  28           H        ILE  28  10.168   0.915 -12.267
  200    HA   ILE  28           HA       ILE  28  12.177   0.337 -10.185
  201    HB   ILE  28           HB       ILE  28  10.071  -1.581 -11.170
  202   1HG1  ILE  28          2HG1      ILE  28   9.856   0.411  -8.902
  203   2HG1  ILE  28          1HG1      ILE  28   8.871   0.373 -10.362
  204   1HG2  ILE  28          1HG2      ILE  28  11.733  -1.447  -8.668
  205   2HG2  ILE  28          2HG2      ILE  28  11.832  -2.641  -9.962
  206   3HG2  ILE  28          3HG2      ILE  28  10.411  -2.588  -8.919
  207   1HD1  ILE  28          1HD1      ILE  28   7.677  -1.483  -9.652
  208   2HD1  ILE  28          2HD1      ILE  28   7.880  -0.531  -8.181
  209   3HD1  ILE  28          3HD1      ILE  28   8.902  -1.940  -8.467
  210    HA   PRO  29           HA       PRO  29  15.238  -1.504 -12.819
  211   1HB   PRO  29          2HB       PRO  29  14.146  -4.000 -11.544
  212   2HB   PRO  29          1HB       PRO  29  15.814  -3.598 -11.945
  213   1HG   PRO  29          2HG       PRO  29  14.798  -3.233  -9.465
  214   2HG   PRO  29          1HG       PRO  29  16.061  -2.193 -10.143
  215   1HD   PRO  29          2HD       PRO  29  13.317  -1.523  -9.490
  216   2HD   PRO  29          1HD       PRO  29  14.621  -0.448 -10.037
  217    H    GLU  30           H        GLU  30  12.189  -3.394 -12.609
  218    HA   GLU  30           HA       GLU  30  12.181  -3.515 -15.551
  219   1HB   GLU  30          2HB       GLU  30  11.424  -5.833 -13.771
  220   2HB   GLU  30          1HB       GLU  30  11.517  -5.830 -15.526
  221   1HG   GLU  30          2HG       GLU  30  13.835  -5.513 -13.633
  222   2HG   GLU  30          1HG       GLU  30  13.411  -6.976 -14.522
  223    H    SER  31           H        SER  31  10.365  -3.644 -12.553
  224    HA   SER  31           HA       SER  31   7.789  -4.017 -13.515
  225   1HB   SER  31          2HB       SER  31   8.575  -2.297 -11.161
  226   2HB   SER  31          1HB       SER  31   7.031  -3.108 -11.413
  227    HG   SER  31           HG       SER  31   9.298  -4.073 -10.332
  228    H    HIS  32           H        HIS  32   6.004  -2.281 -13.191
  229    HA   HIS  32           HA       HIS  32   6.632   0.413 -13.878
  230   1HB   HIS  32          2HB       HIS  32   7.000  -0.376 -16.077
  231   2HB   HIS  32          1HB       HIS  32   5.567  -1.396 -16.041
  232    HD1  HIS  32           1HD      HIS  32   6.220   2.343 -15.614
  233    HD2  HIS  32           2HD      HIS  32   3.622  -0.273 -17.527
  234    HE1  HIS  32           1HE      HIS  32   4.611   3.802 -16.883
  235    HE2  HIS  32           2HE      HIS  32   2.998   2.197 -17.966
  236    H    ILE  33           H        ILE  33   5.077   1.711 -13.243
  237    HA   ILE  33           HA       ILE  33   2.810   0.759 -11.868
  238    HB   ILE  33           HB       ILE  33   3.679   3.484 -12.777
  239   1HG1  ILE  33          2HG1      ILE  33   5.003   2.448 -11.012
  240   2HG1  ILE  33          1HG1      ILE  33   4.094   3.813 -10.370
  241   1HG2  ILE  33          1HG2      ILE  33   1.266   2.819 -11.089
  242   2HG2  ILE  33          2HG2      ILE  33   1.252   3.538 -12.699
  243   3HG2  ILE  33          3HG2      ILE  33   1.920   4.437 -11.337
  244   1HD1  ILE  33          1HD1      ILE  33   2.625   1.351 -10.105
  245   2HD1  ILE  33          2HD1      ILE  33   3.091   2.531  -8.880
  246   3HD1  ILE  33          3HD1      ILE  33   4.212   1.252  -9.344
  247    H    LEU  34           H        LEU  34   0.586   1.041 -12.311
  248    HA   LEU  34           HA       LEU  34  -0.146   1.660 -15.082
  249   1HB   LEU  34          2HB       LEU  34  -1.035  -0.776 -13.541
  250   2HB   LEU  34          1HB       LEU  34  -1.778  -0.233 -15.033
  251    HG   LEU  34           HG       LEU  34   1.060  -1.205 -14.697
  252   1HD1  LEU  34          1HD1      LEU  34  -0.668  -2.954 -14.653
  253   2HD1  LEU  34          2HD1      LEU  34   0.347  -3.053 -16.093
  254   3HD1  LEU  34          3HD1      LEU  34  -1.277  -2.373 -16.203
  255   1HD2  LEU  34          1HD2      LEU  34   1.599  -0.310 -16.663
  256   2HD2  LEU  34          2HD2      LEU  34   0.109   0.629 -16.563
  257   3HD2  LEU  34          3HD2      LEU  34   0.122  -0.916 -17.414
  258    H    THR  35           H        THR  35  -1.870   0.507 -12.166
  259    HA   THR  35           HA       THR  35  -3.668   2.827 -12.457
  260    HB   THR  35           HB       THR  35  -5.266   1.461 -11.053
  261    HG1  THR  35           1HG      THR  35  -4.257  -0.922 -11.642
  262   1HG2  THR  35          1HG2      THR  35  -6.203   0.889 -12.967
  263   2HG2  THR  35          2HG2      THR  35  -5.032  -0.415 -13.175
  264   3HG2  THR  35          3HG2      THR  35  -4.680   1.196 -13.802
  265    H    VAL  36           H        VAL  36  -3.760   4.326 -10.930
  266    HA   VAL  36           HA       VAL  36  -3.035   3.749  -8.185
  267    HB   VAL  36           HB       VAL  36  -1.422   5.653  -8.054
  268   1HG1  VAL  36          1HG1      VAL  36  -0.771   3.214  -8.270
  269   2HG1  VAL  36          2HG1      VAL  36   0.463   4.398  -8.700
  270   3HG1  VAL  36          3HG1      VAL  36  -0.433   3.557  -9.965
  271   1HG2  VAL  36          1HG2      VAL  36  -2.286   6.173 -10.644
  272   2HG2  VAL  36          2HG2      VAL  36  -0.634   5.584 -10.830
  273   3HG2  VAL  36          3HG2      VAL  36  -0.966   6.967  -9.786
  274    H    SER  37           H        SER  37  -4.858   4.491  -7.269
  275    HA   SER  37           HA       SER  37  -5.393   7.304  -7.281
  276   1HB   SER  37          2HB       SER  37  -7.420   5.460  -8.571
  277   2HB   SER  37          1HB       SER  37  -7.720   7.142  -8.138
  278    HG   SER  37           HG       SER  37  -5.932   6.120 -10.078
  279    H    SER  38           H        SER  38  -8.031   7.256  -6.408
  280    HA   SER  38           HA       SER  38  -9.324   6.965  -4.574
  281   1HB   SER  38          2HB       SER  38  -7.860   4.326  -4.352
  282   2HB   SER  38          1HB       SER  38  -9.324   4.754  -3.470
  283    HG   SER  38           HG       SER  38  -9.754   3.542  -5.376
  284    H    PHE  39           H        PHE  39  -7.298   8.654  -4.119
  285    HA   PHE  39           HA       PHE  39  -5.649   7.951  -1.904
  286   1HB   PHE  39          2HB       PHE  39  -6.495  10.645  -2.987
  287   2HB   PHE  39          1HB       PHE  39  -5.350  10.444  -1.673
  288    HD1  PHE  39           1HD      PHE  39  -5.778   8.715  -4.947
  289    HD2  PHE  39           2HD      PHE  39  -3.232  10.992  -2.408
  290    HE1  PHE  39           1HE      PHE  39  -3.956   8.497  -6.584
  291    HE2  PHE  39           2HE      PHE  39  -1.407  10.780  -4.044
  292    HZ   PHE  39           HZ       PHE  39  -1.747   9.575  -6.117
  293    H    TYR  40           H        TYR  40  -6.878   7.080  -0.279
  294    HA   TYR  40           HA       TYR  40  -9.176   8.552   0.714
  295   1HB   TYR  40          2HB       TYR  40  -9.547   6.601   2.145
  296   2HB   TYR  40          1HB       TYR  40  -9.324   6.119   0.463
  297    HD1  TYR  40           1HD      TYR  40  -7.587   4.653  -0.158
  298    HD2  TYR  40           2HD      TYR  40  -7.634   6.335   3.747
  299    HE1  TYR  40           1HE      TYR  40  -5.774   3.132   0.517
  300    HE2  TYR  40           2HE      TYR  40  -5.827   4.822   4.428
  301    HH   TYR  40           HH       TYR  40  -4.766   2.836   3.827
  302    H    ARG  41           H        ARG  41  -9.410   8.460   3.192
  303    HA   ARG  41           HA       ARG  41  -7.041   9.763   4.351
  304   1HB   ARG  41          2HB       ARG  41  -9.105  11.124   4.218
  305   2HB   ARG  41          1HB       ARG  41  -9.946   9.922   5.191
  306   1HG   ARG  41          2HG       ARG  41  -8.368  10.367   7.038
  307   2HG   ARG  41          1HG       ARG  41  -7.620  11.630   6.062
  308   1HD   ARG  41          2HD       ARG  41 -10.499  11.558   6.952
  309   2HD   ARG  41          1HD       ARG  41  -9.228  12.550   7.663
  310    HE   ARG  41           HE       ARG  41  -9.358  13.101   4.921
  311   1HH1  ARG  41          1HH1      ARG  41 -11.252  13.519   7.816
  312   2HH1  ARG  41          2HH1      ARG  41 -12.044  14.950   7.246
  313   1HH2  ARG  41          1HH2      ARG  41 -10.402  14.984   4.160
  314   2HH2  ARG  41          2HH2      ARG  41 -11.562  15.782   5.168
  315    H    THR  42           H        THR  42  -6.573   9.355   6.619
  316    HA   THR  42           HA       THR  42  -7.776   7.000   7.816
  317    HB   THR  42           HB       THR  42  -4.810   7.112   7.244
  318    HG1  THR  42           1HG      THR  42  -5.349   6.184   5.464
  319   1HG2  THR  42          1HG2      THR  42  -5.810   4.530   7.974
  320   2HG2  THR  42          2HG2      THR  42  -6.147   5.702   9.249
  321   3HG2  THR  42          3HG2      THR  42  -4.493   5.466   8.682
  322    HA   PRO  43           HA       PRO  43  -6.775   9.561  11.322
  323   1HB   PRO  43          2HB       PRO  43  -8.319   8.320  13.106
  324   2HB   PRO  43          1HB       PRO  43  -9.029   9.215  11.757
  325   1HG   PRO  43          2HG       PRO  43  -8.746   6.280  12.143
  326   2HG   PRO  43          1HG       PRO  43 -10.026   7.190  11.325
  327   1HD   PRO  43          2HD       PRO  43  -7.835   5.879  10.110
  328   2HD   PRO  43          1HD       PRO  43  -8.975   6.987   9.327
  329    HA   PRO  44           HA       PRO  44  -3.588   7.031  13.221
  330   1HB   PRO  44          2HB       PRO  44  -2.675   9.323  14.674
  331   2HB   PRO  44          1HB       PRO  44  -1.971   8.608  13.224
  332   1HG   PRO  44          2HG       PRO  44  -3.167  11.090  13.332
  333   2HG   PRO  44          1HG       PRO  44  -2.953  10.135  11.856
  334   1HD   PRO  44          2HD       PRO  44  -5.379  10.459  13.575
  335   2HD   PRO  44          1HD       PRO  44  -5.256  10.347  11.803
  336    H    LEU  45           H        LEU  45  -4.460   5.705  14.742
  337    HA   LEU  45           HA       LEU  45  -5.376   6.924  17.260
  338   1HB   LEU  45          2HB       LEU  45  -6.021   4.213  16.098
  339   2HB   LEU  45          1HB       LEU  45  -6.613   4.824  17.631
  340    HG   LEU  45           HG       LEU  45  -7.241   5.996  14.918
  341   1HD1  LEU  45          1HD1      LEU  45  -9.596   5.193  16.004
  342   2HD1  LEU  45          2HD1      LEU  45  -8.506   3.926  16.564
  343   3HD1  LEU  45          3HD1      LEU  45  -8.657   4.261  14.838
  344   1HD2  LEU  45          1HD2      LEU  45  -7.364   7.148  17.505
  345   2HD2  LEU  45          2HD2      LEU  45  -9.017   6.832  16.974
  346   3HD2  LEU  45          3HD2      LEU  45  -7.942   7.814  15.978
  347    H    GLY  46           H        GLY  46  -2.765   6.910  17.284
  348   1HA   GLY  46          2HA       GLY  46  -1.866   5.652  19.462
  349   2HA   GLY  46          1HA       GLY  46  -1.747   4.363  18.275
  350    HA   PRO  47           HA       PRO  47   2.149   5.696  16.730
  351   1HB   PRO  47          2HB       PRO  47   0.998   6.438  14.092
  352   2HB   PRO  47          1HB       PRO  47   2.309   5.317  14.473
  353   1HG   PRO  47          2HG       PRO  47  -0.092   4.414  13.746
  354   2HG   PRO  47          1HG       PRO  47   0.857   3.588  14.997
  355   1HD   PRO  47          2HD       PRO  47  -1.502   5.402  15.292
  356   2HD   PRO  47          1HD       PRO  47  -1.078   3.940  16.209
  357    H    GLN  48           H        GLN  48  -0.553   7.826  16.035
  358    HA   GLN  48           HA       GLN  48   1.123  10.135  16.682
  359   1HB   GLN  48          2HB       GLN  48  -0.644  10.012  14.231
  360   2HB   GLN  48          1HB       GLN  48   0.262  11.413  14.784
  361   1HG   GLN  48          2HG       GLN  48   2.353  10.211  14.409
  362   2HG   GLN  48          1HG       GLN  48   1.444   8.806  13.854
  363   1HE2  GLN  48          1HE2      GLN  48  -0.115  11.613  12.924
  364   2HE2  GLN  48          2HE2      GLN  48   0.494  11.730  11.314
  365    H    ASP  49           H        ASP  49  -0.832  12.027  15.971
  366    HA   ASP  49           HA       ASP  49  -3.304  11.409  17.315
  367   1HB   ASP  49          2HB       ASP  49  -1.365  13.420  18.500
  368   2HB   ASP  49          1HB       ASP  49  -3.048  13.244  18.986
  369    H    GLN  50           H        GLN  50  -1.719  12.607  14.905
  370    HA   GLN  50           HA       GLN  50  -3.456  14.958  14.519
  371   1HB   GLN  50          2HB       GLN  50  -0.908  14.500  12.991
  372   2HB   GLN  50          1HB       GLN  50  -1.771  16.006  13.267
  373   1HG   GLN  50          2HG       GLN  50   0.118  16.186  14.604
  374   2HG   GLN  50          1HG       GLN  50  -1.150  15.698  15.726
  375   1HE2  GLN  50          1HE2      GLN  50  -0.445  14.315  17.161
  376   2HE2  GLN  50          2HE2      GLN  50   0.692  13.044  16.887
  377    HA   PRO  51           HA       PRO  51  -5.179  11.966  11.564
  378   1HB   PRO  51          2HB       PRO  51  -7.213  13.678  10.787
  379   2HB   PRO  51          1HB       PRO  51  -7.311  12.531  12.126
  380   1HG   PRO  51          2HG       PRO  51  -6.727  15.460  12.176
  381   2HG   PRO  51          1HG       PRO  51  -7.704  14.489  13.296
  382   1HD   PRO  51          2HD       PRO  51  -5.217  15.279  13.923
  383   2HD   PRO  51          1HD       PRO  51  -5.842  13.695  14.427
  384    H    ASP  52           H        ASP  52  -3.447  12.093  10.092
  385    HA   ASP  52           HA       ASP  52  -3.991  13.791   7.801
  386   1HB   ASP  52          2HB       ASP  52  -1.327  13.855   9.232
  387   2HB   ASP  52          1HB       ASP  52  -1.652  14.594   7.668
  388    H    TYR  53           H        TYR  53  -3.875  10.823   8.538
  389    HA   TYR  53           HA       TYR  53  -1.656   9.821   7.014
  390   1HB   TYR  53          2HB       TYR  53  -4.031   8.544   8.325
  391   2HB   TYR  53          1HB       TYR  53  -3.043   7.627   7.196
  392    HD1  TYR  53           1HD      TYR  53  -1.777   6.120   8.376
  393    HD2  TYR  53           2HD      TYR  53  -2.155  10.081   9.879
  394    HE1  TYR  53           1HE      TYR  53  -0.196   5.577  10.179
  395    HE2  TYR  53           2HE      TYR  53  -0.574   9.551  11.685
  396    HH   TYR  53           HH       TYR  53   1.493   7.364  11.740
  397    H    LEU  54           H        LEU  54  -1.611  10.235   4.930
  398    HA   LEU  54           HA       LEU  54  -4.064   9.870   3.351
  399   1HB   LEU  54          2HB       LEU  54  -3.231  12.073   3.085
  400   2HB   LEU  54          1HB       LEU  54  -1.584  11.515   2.919
  401    HG   LEU  54           HG       LEU  54  -2.746  12.391   0.824
  402   1HD1  LEU  54          1HD1      LEU  54  -0.671  10.896   0.962
  403   2HD1  LEU  54          2HD1      LEU  54  -1.522  10.999  -0.579
  404   3HD1  LEU  54          3HD1      LEU  54  -1.748   9.591   0.461
  405   1HD2  LEU  54          1HD2      LEU  54  -3.879   9.975  -0.050
  406   2HD2  LEU  54          2HD2      LEU  54  -4.694  11.510   0.248
  407   3HD2  LEU  54          3HD2      LEU  54  -4.577  10.310   1.536
  408    H    ASN  55           H        ASN  55  -4.186   8.170   2.026
  409    HA   ASN  55           HA       ASN  55  -1.689   6.874   1.177
  410   1HB   ASN  55          2HB       ASN  55  -4.061   5.297   2.143
  411   2HB   ASN  55          1HB       ASN  55  -2.438   4.713   1.814
  412   1HD2  ASN  55          1HD2      ASN  55  -1.529   4.101   3.630
  413   2HD2  ASN  55          2HD2      ASN  55  -1.590   4.941   5.138
  414    H    ALA  56           H        ALA  56  -2.144   5.149  -0.506
  415    HA   ALA  56           HA       ALA  56  -4.541   5.610  -2.090
  416   1HB   ALA  56          1HB       ALA  56  -3.412   6.228  -4.094
  417   2HB   ALA  56          2HB       ALA  56  -1.832   5.979  -3.350
  418   3HB   ALA  56          3HB       ALA  56  -2.858   7.313  -2.819
  419    H    ALA  57           H        ALA  57  -4.381   4.202  -4.173
  420    HA   ALA  57           HA       ALA  57  -3.245   1.589  -3.402
  421   1HB   ALA  57          1HB       ALA  57  -5.103   0.774  -5.059
  422   2HB   ALA  57          2HB       ALA  57  -5.844   2.325  -4.664
  423   3HB   ALA  57          3HB       ALA  57  -5.502   1.160  -3.385
  424    H    VAL  58           H        VAL  58  -1.920   0.590  -4.768
  425    HA   VAL  58           HA       VAL  58  -1.688   1.675  -7.479
  426    HB   VAL  58           HB       VAL  58   0.165   2.587  -6.248
  427   1HG1  VAL  58          1HG1      VAL  58   1.687   1.328  -4.954
  428   2HG1  VAL  58          2HG1      VAL  58   1.031  -0.201  -5.535
  429   3HG1  VAL  58          3HG1      VAL  58   0.077   0.811  -4.451
  430   1HG2  VAL  58          1HG2      VAL  58   1.763   2.103  -7.780
  431   2HG2  VAL  58          2HG2      VAL  58   0.405   1.304  -8.573
  432   3HG2  VAL  58          3HG2      VAL  58   1.550   0.360  -7.619
  433    H    ALA  59           H        ALA  59  -1.336   0.264  -9.055
  434    HA   ALA  59           HA       ALA  59  -0.975  -2.568  -8.393
  435   1HB   ALA  59          1HB       ALA  59  -2.854  -3.243  -9.438
  436   2HB   ALA  59          2HB       ALA  59  -2.678  -2.053 -10.728
  437   3HB   ALA  59          3HB       ALA  59  -3.396  -1.583  -9.188
  438    H    LEU  60           H        LEU  60   1.131  -2.504  -8.985
  439    HA   LEU  60           HA       LEU  60   1.733  -1.711 -11.752
  440   1HB   LEU  60          2HB       LEU  60   3.078  -0.387 -10.458
  441   2HB   LEU  60          1HB       LEU  60   3.236  -1.585  -9.193
  442    HG   LEU  60           HG       LEU  60   4.577  -2.048 -11.832
  443   1HD1  LEU  60          1HD1      LEU  60   5.150   0.253 -11.084
  444   2HD1  LEU  60          2HD1      LEU  60   6.527  -0.850 -11.092
  445   3HD1  LEU  60          3HD1      LEU  60   5.742  -0.428  -9.569
  446   1HD2  LEU  60          1HD2      LEU  60   5.585  -3.719 -10.737
  447   2HD2  LEU  60          2HD2      LEU  60   4.381  -3.474  -9.472
  448   3HD2  LEU  60          3HD2      LEU  60   5.958  -2.692  -9.353
  449    H    GLU  61           H        GLU  61   2.923  -3.004 -13.094
  450    HA   GLU  61           HA       GLU  61   2.799  -5.846 -12.531
  451   1HB   GLU  61          2HB       GLU  61   3.793  -4.392 -14.993
  452   2HB   GLU  61          1HB       GLU  61   3.501  -6.122 -14.863
  453   1HG   GLU  61          2HG       GLU  61   1.125  -5.667 -14.467
  454   2HG   GLU  61          1HG       GLU  61   1.436  -3.946 -14.669
  455    H    THR  62           H        THR  62   4.391  -6.542 -11.204
  456    HA   THR  62           HA       THR  62   7.100  -5.541 -11.650
  457    HB   THR  62           HB       THR  62   6.432  -5.356  -9.367
  458    HG1  THR  62           1HG      THR  62   7.829  -7.420  -8.648
  459   1HG2  THR  62          1HG2      THR  62   4.605  -6.925  -9.262
  460   2HG2  THR  62          2HG2      THR  62   5.788  -7.290  -8.005
  461   3HG2  THR  62          3HG2      THR  62   5.721  -8.275  -9.465
  462    H    SER  63           H        SER  63   8.853  -7.074 -11.346
  463    HA   SER  63           HA       SER  63   8.281  -9.741 -12.468
  464   1HB   SER  63          2HB       SER  63  10.418  -9.622 -13.690
  465   2HB   SER  63          1HB       SER  63   9.358  -8.303 -14.188
  466    HG   SER  63           HG       SER  63  10.583  -6.881 -13.077
  467    H    LEU  64           H        LEU  64   9.639  -7.681 -10.235
  468    HA   LEU  64           HA       LEU  64  11.290  -9.717  -8.940
  469   1HB   LEU  64          2HB       LEU  64  11.713  -7.572  -7.444
  470   2HB   LEU  64          1HB       LEU  64  12.593  -7.830  -8.939
  471    HG   LEU  64           HG       LEU  64  10.053  -6.231  -8.975
  472   1HD1  LEU  64          1HD1      LEU  64  12.603  -4.771  -8.638
  473   2HD1  LEU  64          2HD1      LEU  64  11.937  -5.532  -7.193
  474   3HD1  LEU  64          3HD1      LEU  64  10.978  -4.359  -8.094
  475   1HD2  LEU  64          1HD2      LEU  64  12.378  -6.719 -10.714
  476   2HD2  LEU  64          2HD2      LEU  64  11.815  -5.049 -10.648
  477   3HD2  LEU  64          3HD2      LEU  64  10.708  -6.336 -11.126
  478    H    ALA  65           H        ALA  65   9.889 -10.985  -7.813
  479    HA   ALA  65           HA       ALA  65   7.473 -10.641  -6.797
  480   1HB   ALA  65          1HB       ALA  65   9.407 -11.729  -4.820
  481   2HB   ALA  65          2HB       ALA  65   9.275 -12.527  -6.387
  482   3HB   ALA  65          3HB       ALA  65   7.853 -12.370  -5.354
  483    HA   PRO  66           HA       PRO  66   6.817  -7.103  -4.250
  484   1HB   PRO  66          2HB       PRO  66   5.925  -9.241  -2.337
  485   2HB   PRO  66          1HB       PRO  66   5.190  -7.668  -2.674
  486   1HG   PRO  66          2HG       PRO  66   4.248  -9.882  -3.822
  487   2HG   PRO  66          1HG       PRO  66   4.326  -8.352  -4.705
  488   1HD   PRO  66          2HD       PRO  66   5.930 -10.798  -5.065
  489   2HD   PRO  66          1HD       PRO  66   5.645  -9.460  -6.199
  490    H    GLU  67           H        GLU  67   8.622  -9.861  -3.073
  491    HA   GLU  67           HA       GLU  67   9.622  -8.792  -0.684
  492   1HB   GLU  67          2HB       GLU  67  11.029 -10.682  -2.582
  493   2HB   GLU  67          1HB       GLU  67  11.352 -10.486  -0.865
  494   1HG   GLU  67          2HG       GLU  67   9.182 -11.382  -0.313
  495   2HG   GLU  67          1HG       GLU  67   8.756 -11.480  -2.023
  496    H    GLU  68           H        GLU  68  11.034  -8.833  -3.956
  497    HA   GLU  68           HA       GLU  68  13.230  -7.138  -3.292
  498   1HB   GLU  68          2HB       GLU  68  12.040  -7.800  -5.989
  499   2HB   GLU  68          1HB       GLU  68  13.618  -7.079  -5.715
  500   1HG   GLU  68          2HG       GLU  68  12.787  -9.773  -4.704
  501   2HG   GLU  68          1HG       GLU  68  13.659  -9.504  -6.212
  502    H    LEU  69           H        LEU  69  10.155  -6.686  -4.993
  503    HA   LEU  69           HA       LEU  69  10.465  -3.979  -5.600
  504   1HB   LEU  69          2HB       LEU  69   8.693  -4.842  -6.720
  505   2HB   LEU  69          1HB       LEU  69   8.207  -5.880  -5.402
  506    HG   LEU  69           HG       LEU  69   7.770  -2.922  -5.156
  507   1HD1  LEU  69          1HD1      LEU  69   6.594  -4.648  -7.185
  508   2HD1  LEU  69          2HD1      LEU  69   6.547  -2.892  -7.023
  509   3HD1  LEU  69          3HD1      LEU  69   5.390  -3.889  -6.141
  510   1HD2  LEU  69          1HD2      LEU  69   6.772  -3.626  -3.296
  511   2HD2  LEU  69          2HD2      LEU  69   7.008  -5.313  -3.754
  512   3HD2  LEU  69          3HD2      LEU  69   5.571  -4.445  -4.295
  513    H    LEU  70           H        LEU  70   9.787  -5.618  -2.654
  514    HA   LEU  70           HA       LEU  70   8.733  -3.398  -1.192
  515   1HB   LEU  70          2HB       LEU  70   8.409  -5.726  -0.451
  516   2HB   LEU  70          1HB       LEU  70  10.138  -5.904  -0.237
  517    HG   LEU  70           HG       LEU  70   9.985  -4.047   1.490
  518   1HD1  LEU  70          1HD1      LEU  70   8.027  -3.147   2.104
  519   2HD1  LEU  70          2HD1      LEU  70   7.154  -4.670   1.932
  520   3HD1  LEU  70          3HD1      LEU  70   7.489  -3.681   0.510
  521   1HD2  LEU  70          1HD2      LEU  70   8.863  -6.792   1.771
  522   2HD2  LEU  70          2HD2      LEU  70   8.767  -5.685   3.141
  523   3HD2  LEU  70          3HD2      LEU  70  10.336  -6.099   2.450
  524    H    ASN  71           H        ASN  71  11.874  -4.810  -1.811
  525    HA   ASN  71           HA       ASN  71  13.426  -3.316  -0.022
  526   1HB   ASN  71          2HB       ASN  71  14.192  -4.395  -2.745
  527   2HB   ASN  71          1HB       ASN  71  15.330  -3.810  -1.537
  528   1HD2  ASN  71          1HD2      ASN  71  12.723  -5.366  -0.088
  529   2HD2  ASN  71          2HD2      ASN  71  13.459  -6.907   0.155
  530    H    HIS  72           H        HIS  72  12.832  -2.676  -3.497
  531    HA   HIS  72           HA       HIS  72  14.188  -0.222  -3.567
  532   1HB   HIS  72          2HB       HIS  72  12.006  -1.335  -5.328
  533   2HB   HIS  72          1HB       HIS  72  12.910   0.134  -5.693
  534    HD1  HIS  72           1HD      HIS  72  15.581  -0.234  -5.965
  535    HD2  HIS  72           2HD      HIS  72  13.210  -3.639  -6.139
  536    HE1  HIS  72           1HE      HIS  72  17.027  -2.004  -7.010
  537    HE2  HIS  72           2HE      HIS  72  15.596  -4.078  -7.034
  538    H    THR  73           H        THR  73  10.725  -0.919  -3.081
  539    HA   THR  73           HA       THR  73   9.837   1.734  -3.120
  540    HB   THR  73           HB       THR  73   7.928   0.887  -1.727
  541    HG1  THR  73           1HG      THR  73   9.591  -1.376  -1.658
  542   1HG2  THR  73          1HG2      THR  73   8.680  -0.786  -4.108
  543   2HG2  THR  73          2HG2      THR  73   7.732   0.701  -4.112
  544   3HG2  THR  73          3HG2      THR  73   7.086  -0.754  -3.351
  545    H    GLN  74           H        GLN  74  10.588  -0.274  -0.270
  546    HA   GLN  74           HA       GLN  74  10.432   1.889   1.555
  547   1HB   GLN  74          2HB       GLN  74  11.845  -0.759   1.918
  548   2HB   GLN  74          1HB       GLN  74  11.323   0.336   3.193
  549   1HG   GLN  74          2HG       GLN  74   8.983  -0.033   2.493
  550   2HG   GLN  74          1HG       GLN  74   9.554  -1.209   1.313
  551   1HE2  GLN  74          1HE2      GLN  74   8.200  -0.933   4.243
  552   2HE2  GLN  74          2HE2      GLN  74   8.756  -2.393   4.982
  553    H    ARG  75           H        ARG  75  12.730   1.021  -0.721
  554    HA   ARG  75           HA       ARG  75  15.135   1.696   0.615
  555   1HB   ARG  75          2HB       ARG  75  14.979   0.419  -1.533
  556   2HB   ARG  75          1HB       ARG  75  14.520   1.910  -2.340
  557   1HG   ARG  75          2HG       ARG  75  16.685   2.891  -1.677
  558   2HG   ARG  75          1HG       ARG  75  17.141   1.335  -0.980
  559   1HD   ARG  75          2HD       ARG  75  16.799   0.293  -3.213
  560   2HD   ARG  75          1HD       ARG  75  16.492   1.902  -3.869
  561    HE   ARG  75           HE       ARG  75  18.961   1.929  -2.540
  562   1HH1  ARG  75          1HH1      ARG  75  17.477   0.583  -5.392
  563   2HH1  ARG  75          2HH1      ARG  75  18.957   0.521  -6.287
  564   1HH2  ARG  75          1HH2      ARG  75  20.910   1.852  -3.710
  565   2HH2  ARG  75          2HH2      ARG  75  20.910   1.241  -5.331
  566    H    ILE  76           H        ILE  76  12.854   3.519  -1.368
  567    HA   ILE  76           HA       ILE  76  14.329   5.962  -1.203
  568    HB   ILE  76           HB       ILE  76  11.447   5.606  -1.986
  569   1HG1  ILE  76          2HG1      ILE  76  12.920   4.161  -3.332
  570   2HG1  ILE  76          1HG1      ILE  76  12.258   5.478  -4.297
  571   1HG2  ILE  76          1HG2      ILE  76  12.560   7.919  -1.430
  572   2HG2  ILE  76          2HG2      ILE  76  11.492   7.741  -2.821
  573   3HG2  ILE  76          3HG2      ILE  76  13.242   7.733  -3.046
  574   1HD1  ILE  76          1HD1      ILE  76  14.850   6.069  -3.078
  575   2HD1  ILE  76          2HD1      ILE  76  14.280   6.328  -4.726
  576   3HD1  ILE  76          3HD1      ILE  76  14.867   4.739  -4.236
  577    H    GLU  77           H        GLU  77  11.170   4.977   0.137
  578    HA   GLU  77           HA       GLU  77  10.649   7.182   1.685
  579   1HB   GLU  77          2HB       GLU  77   9.984   4.877   3.243
  580   2HB   GLU  77          1HB       GLU  77   8.922   5.960   2.373
  581   1HG   GLU  77          2HG       GLU  77   8.903   4.613   0.482
  582   2HG   GLU  77          1HG       GLU  77  10.374   3.766   0.950
  583    H    LEU  78           H        LEU  78  12.908   4.583   2.326
  584    HA   LEU  78           HA       LEU  78  13.436   5.181   5.036
  585   1HB   LEU  78          2HB       LEU  78  14.061   3.075   3.776
  586   2HB   LEU  78          1HB       LEU  78  15.365   3.985   3.043
  587    HG   LEU  78           HG       LEU  78  15.104   3.609   6.027
  588   1HD1  LEU  78          1HD1      LEU  78  15.452   1.528   4.390
  589   2HD1  LEU  78          2HD1      LEU  78  16.255   1.660   5.953
  590   3HD1  LEU  78          3HD1      LEU  78  17.119   2.095   4.479
  591   1HD2  LEU  78          1HD2      LEU  78  16.736   5.125   6.053
  592   2HD2  LEU  78          2HD2      LEU  78  16.894   5.087   4.297
  593   3HD2  LEU  78          3HD2      LEU  78  17.764   3.914   5.286
  594    H    GLN  79           H        GLN  79  15.089   6.121   2.029
  595    HA   GLN  79           HA       GLN  79  16.648   8.095   3.525
  596   1HB   GLN  79          2HB       GLN  79  17.946   8.343   1.440
  597   2HB   GLN  79          1HB       GLN  79  17.914   6.682   2.015
  598   1HG   GLN  79          2HG       GLN  79  16.217   6.123   0.372
  599   2HG   GLN  79          1HG       GLN  79  16.190   7.796  -0.185
  600   1HE2  GLN  79          1HE2      GLN  79  19.310   7.148   0.615
  601   2HE2  GLN  79          2HE2      GLN  79  19.908   6.654  -0.928
  602    H    GLN  80           H        GLN  80  13.697   8.249   2.691
  603    HA   GLN  80           HA       GLN  80  13.881  10.815   1.263
  604   1HB   GLN  80          2HB       GLN  80  12.638   9.101   0.004
  605   2HB   GLN  80          1HB       GLN  80  11.533   8.911   1.360
  606   1HG   GLN  80          2HG       GLN  80  10.572  10.296  -0.398
  607   2HG   GLN  80          1HG       GLN  80  10.777  11.203   1.100
  608   1HE2  GLN  80          1HE2      GLN  80  11.445  13.189   0.773
  609   2HE2  GLN  80          2HE2      GLN  80  12.513  13.719  -0.476
  610    H    GLY  81           H        GLY  81  11.943   9.097   3.731
  611   1HA   GLY  81          2HA       GLY  81  10.719  11.485   4.693
  612   2HA   GLY  81          1HA       GLY  81  10.713   9.923   5.496
  613    H    ARG  82           H        ARG  82  13.852  10.400   5.000
  614    HA   ARG  82           HA       ARG  82  14.754  12.432   6.623
  615   1HB   ARG  82          2HB       ARG  82  13.486  11.445   8.458
  616   2HB   ARG  82          1HB       ARG  82  14.274   9.895   8.200
  617   1HG   ARG  82          2HG       ARG  82  16.389  10.787   8.901
  618   2HG   ARG  82          1HG       ARG  82  15.717  12.415   8.992
  619   1HD   ARG  82          2HD       ARG  82  14.749  10.095  10.653
  620   2HD   ARG  82          1HD       ARG  82  15.961  11.256  11.195
  621    HE   ARG  82           HE       ARG  82  13.169  11.620  11.230
  622   1HH1  ARG  82          1HH1      ARG  82  16.112  13.348  10.507
  623   2HH1  ARG  82          2HH1      ARG  82  15.441  14.900  10.883
  624   1HH2  ARG  82          1HH2      ARG  82  12.284  13.658  11.726
  625   2HH2  ARG  82          2HH2      ARG  82  13.267  15.076  11.577
  626    H    VAL  83           H        VAL  83  17.013  12.277   7.119
  627    HA   VAL  83           HA       VAL  83  18.368  10.267   5.464
  628    HB   VAL  83           HB       VAL  83  20.347  11.847   5.706
  629   1HG1  VAL  83          1HG1      VAL  83  18.769  11.642   3.724
  630   2HG1  VAL  83          2HG1      VAL  83  19.667  13.155   3.857
  631   3HG1  VAL  83          3HG1      VAL  83  17.972  13.089   4.340
  632   1HG2  VAL  83          1HG2      VAL  83  18.567  13.126   7.483
  633   2HG2  VAL  83          2HG2      VAL  83  18.793  14.205   6.107
  634   3HG2  VAL  83          3HG2      VAL  83  20.191  13.631   7.016
  635    H    ARG  84           H        ARG  84  17.688   9.056   7.704
  636    HA   ARG  84           HA       ARG  84  20.229   8.822   9.116
  637   1HB   ARG  84          2HB       ARG  84  17.577   9.257  10.489
  638   2HB   ARG  84          1HB       ARG  84  19.038   8.724  11.312
  639   1HG   ARG  84          2HG       ARG  84  18.836  11.293   9.760
  640   2HG   ARG  84          1HG       ARG  84  18.564  11.169  11.495
  641   1HD   ARG  84          2HD       ARG  84  20.836  10.301  11.786
  642   2HD   ARG  84          1HD       ARG  84  21.104  10.425  10.048
  643    HE   ARG  84           HE       ARG  84  20.328  12.938  11.001
  644   1HH1  ARG  84          1HH1      ARG  84  22.999  10.715  11.271
  645   2HH1  ARG  84          2HH1      ARG  84  24.173  11.958  11.541
  646   1HH2  ARG  84          1HH2      ARG  84  21.867  14.581  11.355
  647   2HH2  ARG  84          2HH2      ARG  84  23.531  14.155  11.590
  648    H    LYS  85           H        LYS  85  17.139   7.424  10.104
  649    HA   LYS  85           HA       LYS  85  17.808   4.888   8.851
  650   1HB   LYS  85          2HB       LYS  85  19.037   4.866  11.001
  651   2HB   LYS  85          1HB       LYS  85  17.518   5.117  11.851
  652   1HG   LYS  85          2HG       LYS  85  18.129   2.796  11.958
  653   2HG   LYS  85          1HG       LYS  85  16.693   2.976  10.947
  654   1HD   LYS  85          2HD       LYS  85  18.104   2.859   8.941
  655   2HD   LYS  85          1HD       LYS  85  19.531   2.658   9.962
  656   1HE   LYS  85          2HE       LYS  85  17.176   0.782   9.778
  657   2HE   LYS  85          1HE       LYS  85  18.786   0.508   9.115
  658   1HZ   LYS  85          1HZ       LYS  85  19.567   0.781  11.513
  659   2HZ   LYS  85          2HZ       LYS  85  18.776  -0.658  11.110
  660   3HZ   LYS  85          3HZ       LYS  85  17.947   0.557  11.946
  661    H    ALA  86           H        ALA  86  15.855   5.435   7.719
  662    HA   ALA  86           HA       ALA  86  13.609   5.404   7.321
  663   1HB   ALA  86          1HB       ALA  86  13.730   3.295   9.473
  664   2HB   ALA  86          2HB       ALA  86  13.989   3.043   7.747
  665   3HB   ALA  86          3HB       ALA  86  12.401   3.528   8.338
  666    H    GLU  87           H        GLU  87  14.336   7.486   9.004
  667    HA   GLU  87           HA       GLU  87  13.415   9.084  10.326
  668   1HB   GLU  87          2HB       GLU  87  11.401   8.867   9.052
  669   2HB   GLU  87          1HB       GLU  87  10.952   7.396   9.904
  670   1HG   GLU  87          2HG       GLU  87   9.620   9.269  10.657
  671   2HG   GLU  87          1HG       GLU  87  10.643   8.668  11.959
  672    H    ARG  88           H        ARG  88  13.912   9.349  12.381
  673    HA   ARG  88           HA       ARG  88  14.158   7.193  14.195
  674   1HB   ARG  88          2HB       ARG  88  14.070  10.158  14.794
  675   2HB   ARG  88          1HB       ARG  88  14.680   8.906  15.867
  676   1HG   ARG  88          2HG       ARG  88  15.848   9.676  13.199
  677   2HG   ARG  88          1HG       ARG  88  16.497  10.098  14.784
  678   1HD   ARG  88          2HD       ARG  88  16.840   7.729  15.278
  679   2HD   ARG  88          1HD       ARG  88  16.171   7.299  13.704
  680    HE   ARG  88           HE       ARG  88  18.308   9.071  13.320
  681   1HH1  ARG  88          1HH1      ARG  88  17.709   5.808  14.389
  682   2HH1  ARG  88          2HH1      ARG  88  19.255   5.221  13.878
  683   1HH2  ARG  88          1HH2      ARG  88  20.346   8.303  12.642
  684   2HH2  ARG  88          2HH2      ARG  88  20.753   6.637  12.886
  685    H    TRP  89           H        TRP  89  12.381  10.054  15.198
  686    HA   TRP  89           HA       TRP  89  10.026   8.379  15.745
  687   1HB   TRP  89          2HB       TRP  89  11.265  10.402  17.626
  688   2HB   TRP  89          1HB       TRP  89   9.718   9.604  17.889
  689    HD1  TRP  89           HD       TRP  89  13.394   8.466  17.284
  690    HE1  TRP  89           1HE      TRP  89  13.844   6.438  18.806
  691    HE3  TRP  89           3HE      TRP  89   8.771   8.013  19.417
  692    HZ2  TRP  89           2HZ      TRP  89  12.424   4.855  20.665
  693    HZ3  TRP  89           3HZ      TRP  89   8.398   6.214  21.056
  694    HH2  TRP  89           HH       TRP  89  10.187   4.668  21.666
  695    H    GLY  90           H        GLY  90   8.010   9.469  15.752
  696   1HA   GLY  90          2HA       GLY  90   6.741  11.527  15.583
  697   2HA   GLY  90          1HA       GLY  90   8.081  12.214  14.679
  698    HA   PRO  91           HA       PRO  91   4.540  10.403  11.942
  699   1HB   PRO  91          2HB       PRO  91   4.451  13.255  11.105
  700   2HB   PRO  91          1HB       PRO  91   3.124  12.117  11.369
  701   1HG   PRO  91          2HG       PRO  91   3.627  14.045  13.133
  702   2HG   PRO  91          1HG       PRO  91   3.143  12.424  13.668
  703   1HD   PRO  91          2HD       PRO  91   5.854  13.688  13.656
  704   2HD   PRO  91          1HD       PRO  91   5.111  12.620  14.865
  705    H    ARG  92           H        ARG  92   5.284   9.526  10.126
  706    HA   ARG  92           HA       ARG  92   6.413  10.803   7.949
  707   1HB   ARG  92          2HB       ARG  92   8.275  11.108   9.747
  708   2HB   ARG  92          1HB       ARG  92   8.613   9.410   9.459
  709   1HG   ARG  92          2HG       ARG  92  10.111  10.635   8.115
  710   2HG   ARG  92          1HG       ARG  92   8.881   9.992   7.024
  711   1HD   ARG  92          2HD       ARG  92   9.400  12.319   6.500
  712   2HD   ARG  92          1HD       ARG  92   7.731  12.143   7.041
  713    HE   ARG  92           HE       ARG  92   9.278  12.768   9.271
  714   1HH1  ARG  92          1HH1      ARG  92   8.317  14.247   6.264
  715   2HH1  ARG  92          2HH1      ARG  92   8.372  15.860   6.893
  716   1HH2  ARG  92          1HH2      ARG  92   9.350  14.886  10.105
  717   2HH2  ARG  92          2HH2      ARG  92   8.959  16.224   9.075
  718    H    THR  93           H        THR  93   8.518   8.426   7.902
  719    HA   THR  93           HA       THR  93   8.642   6.384   6.990
  720    HB   THR  93           HB       THR  93   7.223   4.645   7.903
  721    HG1  THR  93           1HG      THR  93   5.698   6.496   9.331
  722   1HG2  THR  93          1HG2      THR  93   8.533   6.585   9.594
  723   2HG2  THR  93          2HG2      THR  93   8.516   4.824   9.687
  724   3HG2  THR  93          3HG2      THR  93   7.215   5.758  10.423
  725    H    LEU  94           H        LEU  94   7.029   4.550   6.052
  726    HA   LEU  94           HA       LEU  94   4.908   5.428   4.394
  727   1HB   LEU  94          2HB       LEU  94   6.905   6.546   3.352
  728   2HB   LEU  94          1HB       LEU  94   7.581   4.967   3.050
  729    HG   LEU  94           HG       LEU  94   5.015   6.009   1.840
  730   1HD1  LEU  94          1HD1      LEU  94   7.762   5.713   0.622
  731   2HD1  LEU  94          2HD1      LEU  94   7.005   7.236   1.087
  732   3HD1  LEU  94          3HD1      LEU  94   6.302   6.261  -0.204
  733   1HD2  LEU  94          1HD2      LEU  94   6.065   3.957   0.286
  734   2HD2  LEU  94          2HD2      LEU  94   4.639   3.877   1.321
  735   3HD2  LEU  94          3HD2      LEU  94   6.211   3.381   1.945
  736    H    ASP  95           H        ASP  95   3.963   3.581   3.305
  737    HA   ASP  95           HA       ASP  95   5.296   1.025   3.890
  738   1HB   ASP  95          2HB       ASP  95   2.366   1.634   4.318
  739   2HB   ASP  95          1HB       ASP  95   3.123   0.057   4.526
  740    H    LEU  96           H        LEU  96   5.710   0.048   2.048
  741    HA   LEU  96           HA       LEU  96   3.640   0.041  -0.046
  742   1HB   LEU  96          2HB       LEU  96   6.357   0.991  -0.179
  743   2HB   LEU  96          1HB       LEU  96   6.116  -0.327  -1.309
  744    HG   LEU  96           HG       LEU  96   5.751   1.980  -2.237
  745   1HD1  LEU  96          1HD1      LEU  96   3.301   1.216  -3.059
  746   2HD1  LEU  96          2HD1      LEU  96   3.907  -0.308  -2.413
  747   3HD1  LEU  96          3HD1      LEU  96   4.803   0.530  -3.680
  748   1HD2  LEU  96          1HD2      LEU  96   3.164   2.550  -1.602
  749   2HD2  LEU  96          2HD2      LEU  96   4.576   3.348  -0.909
  750   3HD2  LEU  96          3HD2      LEU  96   3.806   2.013  -0.050
  751    H    ASP  97           H        ASP  97   2.822  -1.967   0.142
  752    HA   ASP  97           HA       ASP  97   4.633  -4.203  -0.353
  753   1HB   ASP  97          2HB       ASP  97   3.600  -5.548   1.462
  754   2HB   ASP  97          1HB       ASP  97   4.504  -4.161   2.067
  755    H    ILE  98           H        ILE  98   3.812  -5.646  -1.728
  756    HA   ILE  98           HA       ILE  98   1.254  -5.172  -2.905
  757    HB   ILE  98           HB       ILE  98   3.314  -7.315  -3.369
  758   1HG1  ILE  98          2HG1      ILE  98   2.390  -5.132  -5.220
  759   2HG1  ILE  98          1HG1      ILE  98   3.707  -4.897  -4.073
  760   1HG2  ILE  98          1HG2      ILE  98   0.735  -6.884  -4.855
  761   2HG2  ILE  98          2HG2      ILE  98   1.136  -8.270  -3.840
  762   3HG2  ILE  98          3HG2      ILE  98   2.025  -7.985  -5.336
  763   1HD1  ILE  98          1HD1      ILE  98   5.114  -6.316  -5.211
  764   2HD1  ILE  98          2HD1      ILE  98   4.214  -5.558  -6.524
  765   3HD1  ILE  98          3HD1      ILE  98   3.788  -7.183  -5.985
  766    H    MET  99           H        MET  99  -0.613  -5.842  -2.143
  767    HA   MET  99           HA       MET  99  -0.795  -7.935  -0.177
  768   1HB   MET  99          2HB       MET  99  -2.953  -6.302  -1.515
  769   2HB   MET  99          1HB       MET  99  -3.192  -7.376  -0.145
  770   1HG   MET  99          2HG       MET  99  -1.259  -5.094  -0.015
  771   2HG   MET  99          1HG       MET  99  -2.977  -4.861   0.290
  772   1HE   MET  99          1HE       MET  99   0.202  -6.807   2.830
  773   2HE   MET  99          2HE       MET  99   0.175  -6.670   1.071
  774   3HE   MET  99          3HE       MET  99  -0.575  -8.060   1.860
  775    H    LEU 100           H        LEU 100  -0.977  -7.761  -3.571
  776    HA   LEU 100           HA       LEU 100  -1.711 -10.579  -3.695
  777   1HB   LEU 100          2HB       LEU 100  -3.249  -8.487  -5.239
  778   2HB   LEU 100          1HB       LEU 100  -3.342 -10.208  -5.536
  779    HG   LEU 100           HG       LEU 100  -3.964 -10.079  -2.874
  780   1HD1  LEU 100          1HD1      LEU 100  -5.601  -7.879  -4.014
  781   2HD1  LEU 100          2HD1      LEU 100  -3.999  -7.498  -3.376
  782   3HD1  LEU 100          3HD1      LEU 100  -5.210  -8.247  -2.334
  783   1HD2  LEU 100          1HD2      LEU 100  -6.402 -10.108  -3.854
  784   2HD2  LEU 100          2HD2      LEU 100  -5.296 -11.449  -4.146
  785   3HD2  LEU 100          3HD2      LEU 100  -5.551 -10.229  -5.393
  786    H    PHE 101           H        PHE 101  -0.136 -11.508  -4.897
  787    HA   PHE 101           HA       PHE 101   1.302  -9.869  -6.829
  788   1HB   PHE 101          2HB       PHE 101   2.576 -11.316  -5.306
  789   2HB   PHE 101          1HB       PHE 101   1.775 -12.732  -5.974
  790    HD1  PHE 101           1HD      PHE 101   3.276 -13.983  -7.170
  791    HD2  PHE 101           2HD      PHE 101   3.375  -9.743  -7.544
  792    HE1  PHE 101           1HE      PHE 101   5.039 -14.179  -8.874
  793    HE2  PHE 101           2HE      PHE 101   5.137  -9.933  -9.252
  794    HZ   PHE 101           HZ       PHE 101   5.972 -12.153  -9.918
  795    H    GLY 102           H        GLY 102  -0.494  -9.649  -8.306
  796   1HA   GLY 102          2HA       GLY 102  -1.288 -10.093 -10.423
  797   2HA   GLY 102          1HA       GLY 102  -0.383 -11.596 -10.403
  798    H    ASN 103           H        ASN 103  -1.356 -13.122  -8.610
  799    HA   ASN 103           HA       ASN 103  -4.007 -13.245  -7.943
  800   1HB   ASN 103          2HB       ASN 103  -4.575 -13.143 -10.286
  801   2HB   ASN 103          1HB       ASN 103  -3.413 -14.410 -10.669
  802   1HD2  ASN 103          1HD2      ASN 103  -6.562 -13.663  -9.716
  803   2HD2  ASN 103          2HD2      ASN 103  -7.131 -15.270  -9.494
  804    H    GLU 104           H        GLU 104  -0.982 -14.503  -8.499
  805    HA   GLU 104           HA       GLU 104  -1.024 -17.207  -8.151
  806   1HB   GLU 104          2HB       GLU 104   0.924 -15.605  -8.521
  807   2HB   GLU 104          1HB       GLU 104   0.918 -15.344  -6.785
  808   1HG   GLU 104          2HG       GLU 104   2.611 -16.955  -7.392
  809   2HG   GLU 104          1HG       GLU 104   1.358 -17.718  -6.415
  810    H    VAL 105           H        VAL 105   0.011 -18.208  -5.981
  811    HA   VAL 105           HA       VAL 105  -1.609 -17.276  -3.709
  812    HB   VAL 105           HB       VAL 105  -1.103 -20.181  -4.368
  813   1HG1  VAL 105          1HG1      VAL 105  -1.330 -19.871  -2.014
  814   2HG1  VAL 105          2HG1      VAL 105  -2.845 -20.545  -2.615
  815   3HG1  VAL 105          3HG1      VAL 105  -2.736 -18.828  -2.230
  816   1HG2  VAL 105          1HG2      VAL 105  -2.844 -18.549  -5.696
  817   2HG2  VAL 105          2HG2      VAL 105  -3.863 -19.210  -4.417
  818   3HG2  VAL 105          3HG2      VAL 105  -3.020 -20.295  -5.525
  819    H    ILE 106           H        ILE 106   0.230 -16.216  -2.914
  820    HA   ILE 106           HA       ILE 106   2.254 -18.020  -1.756
  821    HB   ILE 106           HB       ILE 106   2.706 -15.224  -2.813
  822   1HG1  ILE 106          2HG1      ILE 106   3.823 -17.870  -3.769
  823   2HG1  ILE 106          1HG1      ILE 106   2.554 -16.954  -4.578
  824   1HG2  ILE 106          1HG2      ILE 106   5.157 -16.388  -2.270
  825   2HG2  ILE 106          2HG2      ILE 106   4.150 -16.828  -0.890
  826   3HG2  ILE 106          3HG2      ILE 106   4.351 -15.131  -1.330
  827   1HD1  ILE 106          1HD1      ILE 106   4.101 -15.843  -5.700
  828   2HD1  ILE 106          2HD1      ILE 106   5.371 -16.716  -4.841
  829   3HD1  ILE 106          3HD1      ILE 106   4.740 -15.204  -4.185
  830    H    ASN 107           H        ASN 107   1.928 -18.045   0.404
  831    HA   ASN 107           HA       ASN 107   1.054 -15.541   1.688
  832   1HB   ASN 107          2HB       ASN 107   0.869 -18.343   2.814
  833   2HB   ASN 107          1HB       ASN 107   0.202 -16.872   3.518
  834   1HD2  ASN 107          1HD2      ASN 107  -0.302 -16.279   0.448
  835   2HD2  ASN 107          2HD2      ASN 107  -1.841 -17.014   0.215
  836    H    THR 108           H        THR 108   2.766 -14.446   2.404
  837    HA   THR 108           HA       THR 108   4.635 -15.828   4.184
  838    HB   THR 108           HB       THR 108   6.551 -14.635   3.179
  839    HG1  THR 108           1HG      THR 108   6.120 -13.050   1.906
  840   1HG2  THR 108          1HG2      THR 108   4.979 -16.406   1.340
  841   2HG2  THR 108          2HG2      THR 108   6.352 -16.826   2.363
  842   3HG2  THR 108          3HG2      THR 108   6.588 -15.804   0.945
  843    H    GLU 109           H        GLU 109   6.243 -13.229   4.109
  844    HA   GLU 109           HA       GLU 109   4.469 -11.746   5.924
  845   1HB   GLU 109          2HB       GLU 109   7.491 -11.781   5.798
  846   2HB   GLU 109          1HB       GLU 109   6.529 -10.853   6.942
  847   1HG   GLU 109          2HG       GLU 109   5.641 -12.914   7.884
  848   2HG   GLU 109          1HG       GLU 109   6.579 -13.854   6.727
  849    H    ARG 110           H        ARG 110   6.671 -11.427   3.201
  850    HA   ARG 110           HA       ARG 110   5.704  -8.667   2.852
  851   1HB   ARG 110          2HB       ARG 110   7.797  -8.055   1.834
  852   2HB   ARG 110          1HB       ARG 110   8.130  -8.779   3.399
  853   1HG   ARG 110          2HG       ARG 110   8.318 -10.277   0.797
  854   2HG   ARG 110          1HG       ARG 110   9.679  -9.449   1.557
  855   1HD   ARG 110          2HD       ARG 110   8.063 -11.707   2.739
  856   2HD   ARG 110          1HD       ARG 110   9.703 -11.817   2.104
  857    HE   ARG 110           HE       ARG 110   9.667  -9.864   4.101
  858   1HH1  ARG 110          1HH1      ARG 110   9.276 -13.312   3.768
  859   2HH1  ARG 110          2HH1      ARG 110   9.867 -13.662   5.359
  860   1HH2  ARG 110          1HH2      ARG 110  10.445 -10.318   6.197
  861   2HH2  ARG 110          2HH2      ARG 110  10.530 -11.961   6.739
  862    H    LEU 111           H        LEU 111   5.070 -11.557   1.827
  863    HA   LEU 111           HA       LEU 111   4.348 -10.661  -0.827
  864   1HB   LEU 111          2HB       LEU 111   6.486 -11.563  -1.340
  865   2HB   LEU 111          1HB       LEU 111   6.197 -12.988  -0.362
  866    HG   LEU 111           HG       LEU 111   4.570 -13.823  -1.960
  867   1HD1  LEU 111          1HD1      LEU 111   4.417 -11.124  -2.766
  868   2HD1  LEU 111          2HD1      LEU 111   3.465 -12.497  -3.330
  869   3HD1  LEU 111          3HD1      LEU 111   4.963 -12.064  -4.154
  870   1HD2  LEU 111          1HD2      LEU 111   6.195 -14.706  -3.197
  871   2HD2  LEU 111          2HD2      LEU 111   7.303 -13.585  -2.403
  872   3HD2  LEU 111          3HD2      LEU 111   6.564 -13.151  -3.945
  873    H    THR 112           H        THR 112   2.318 -10.801   0.360
  874    HA   THR 112           HA       THR 112   1.290 -13.556   0.429
  875    HB   THR 112           HB       THR 112   1.213 -12.600   2.646
  876    HG1  THR 112           1HG      THR 112  -0.575 -13.786   2.323
  877   1HG2  THR 112          1HG2      THR 112   1.027 -10.165   1.627
  878   2HG2  THR 112          2HG2      THR 112   0.457 -10.559   3.250
  879   3HG2  THR 112          3HG2      THR 112  -0.688 -10.460   1.912
  880    H    VAL 113           H        VAL 113   0.296 -13.878  -1.501
  881    HA   VAL 113           HA       VAL 113  -0.919 -11.739  -2.947
  882    HB   VAL 113           HB       VAL 113  -1.229 -14.696  -3.464
  883   1HG1  VAL 113          1HG1      VAL 113  -2.819 -13.681  -4.795
  884   2HG1  VAL 113          2HG1      VAL 113  -1.418 -13.670  -5.866
  885   3HG1  VAL 113          3HG1      VAL 113  -1.869 -12.208  -4.989
  886   1HG2  VAL 113          1HG2      VAL 113   1.001 -14.615  -3.745
  887   2HG2  VAL 113          2HG2      VAL 113   1.023 -12.858  -3.901
  888   3HG2  VAL 113          3HG2      VAL 113   0.580 -13.861  -5.283
  889    HA   PRO 114           HA       PRO 114  -5.120 -13.945  -1.725
  890   1HB   PRO 114          2HB       PRO 114  -4.113 -15.392   0.677
  891   2HB   PRO 114          1HB       PRO 114  -5.367 -15.869  -0.474
  892   1HG   PRO 114          2HG       PRO 114  -3.009 -17.041  -0.578
  893   2HG   PRO 114          1HG       PRO 114  -3.817 -16.549  -2.081
  894   1HD   PRO 114          2HD       PRO 114  -1.575 -15.200  -0.610
  895   2HD   PRO 114          1HD       PRO 114  -1.781 -15.467  -2.356
  896    H    HIS 115           H        HIS 115  -2.566 -12.661   0.061
  897    HA   HIS 115           HA       HIS 115  -2.299 -11.140   1.675
  898   1HB   HIS 115          2HB       HIS 115  -3.740  -9.227   1.633
  899   2HB   HIS 115          1HB       HIS 115  -3.589  -9.831  -0.000
  900    HD1  HIS 115           1HD      HIS 115  -6.079 -10.361   2.845
  901    HD2  HIS 115           2HD      HIS 115  -5.951  -9.786  -1.268
  902    HE1  HIS 115           1HE      HIS 115  -8.478 -10.304   2.100
  903    HE2  HIS 115           2HE      HIS 115  -8.378  -9.879  -0.380
  904    H    TYR 116           H        TYR 116  -2.162 -11.594   3.703
  905    HA   TYR 116           HA       TYR 116  -4.506 -12.704   5.092
  906   1HB   TYR 116          2HB       TYR 116  -2.558 -14.212   4.919
  907   2HB   TYR 116          1HB       TYR 116  -1.570 -13.019   5.753
  908    HD1  TYR 116           1HD      TYR 116  -5.019 -14.252   6.465
  909    HD2  TYR 116           2HD      TYR 116  -0.991 -13.945   7.805
  910    HE1  TYR 116           1HE      TYR 116  -5.669 -15.230   8.626
  911    HE2  TYR 116           2HE      TYR 116  -1.630 -14.925   9.968
  912    HH   TYR 116           HH       TYR 116  -4.637 -16.429  10.491
  913    H    ASP 117           H        ASP 117  -5.505 -11.154   6.147
  914    HA   ASP 117           HA       ASP 117  -5.813  -9.881   8.088
  915   1HB   ASP 117          2HB       ASP 117  -2.873  -9.189   7.857
  916   2HB   ASP 117          1HB       ASP 117  -3.967  -8.550   9.079
  917    H    MET 118           H        MET 118  -5.026  -9.343   5.024
  918    HA   MET 118           HA       MET 118  -4.949  -6.506   4.860
  919   1HB   MET 118          2HB       MET 118  -4.071  -7.499   2.982
  920   2HB   MET 118          1HB       MET 118  -5.250  -8.801   2.991
  921   1HG   MET 118          2HG       MET 118  -5.898  -7.684   1.154
  922   2HG   MET 118          1HG       MET 118  -6.901  -6.880   2.354
  923   1HE   MET 118          1HE       MET 118  -6.624  -6.017  -0.243
  924   2HE   MET 118          2HE       MET 118  -5.245  -5.064  -0.787
  925   3HE   MET 118          3HE       MET 118  -6.586  -4.278   0.044
  926    H    LYS 119           H        LYS 119  -7.502  -8.919   4.307
  927    HA   LYS 119           HA       LYS 119  -9.596  -7.253   3.624
  928   1HB   LYS 119          2HB       LYS 119 -11.076  -9.033   4.588
  929   2HB   LYS 119          1HB       LYS 119  -9.856  -9.629   3.468
  930   1HG   LYS 119          2HG       LYS 119  -8.481 -10.373   5.324
  931   2HG   LYS 119          1HG       LYS 119  -9.647  -9.714   6.472
  932   1HD   LYS 119          2HD       LYS 119 -10.280 -11.861   4.451
  933   2HD   LYS 119          1HD       LYS 119  -9.834 -12.177   6.129
  934   1HE   LYS 119          2HE       LYS 119 -12.220 -10.587   5.191
  935   2HE   LYS 119          1HE       LYS 119 -12.256 -12.230   5.832
  936   1HZ   LYS 119          1HZ       LYS 119 -10.916 -10.479   7.619
  937   2HZ   LYS 119          2HZ       LYS 119 -12.278 -11.445   7.891
  938   3HZ   LYS 119          3HZ       LYS 119 -12.459  -9.884   7.262
  939    H    ASN 120           H        ASN 120  -7.911  -7.323   6.537
  940    HA   ASN 120           HA       ASN 120 -10.098  -6.429   8.204
  941   1HB   ASN 120          2HB       ASN 120  -7.142  -6.777   8.706
  942   2HB   ASN 120          1HB       ASN 120  -8.265  -6.180   9.921
  943   1HD2  ASN 120          1HD2      ASN 120  -6.684  -8.825   8.932
  944   2HD2  ASN 120          2HD2      ASN 120  -7.750 -10.058   9.504
  945    H    ARG 121           H        ARG 121  -8.735  -4.854   5.802
  946    HA   ARG 121           HA       ARG 121  -9.081  -2.298   7.104
  947   1HB   ARG 121          2HB       ARG 121  -6.857  -1.437   6.366
  948   2HB   ARG 121          1HB       ARG 121  -6.784  -2.635   7.650
  949   1HG   ARG 121          2HG       ARG 121  -6.143  -4.345   6.063
  950   2HG   ARG 121          1HG       ARG 121  -6.303  -3.199   4.731
  951   1HD   ARG 121          2HD       ARG 121  -3.966  -3.490   5.376
  952   2HD   ARG 121          1HD       ARG 121  -4.512  -1.840   5.675
  953    HE   ARG 121           HE       ARG 121  -4.858  -3.310   8.024
  954   1HH1  ARG 121          1HH1      ARG 121  -2.272  -2.155   5.996
  955   2HH1  ARG 121          2HH1      ARG 121  -1.139  -2.017   7.297
  956   1HH2  ARG 121          1HH2      ARG 121  -3.374  -3.127   9.746
  957   2HH2  ARG 121          2HH2      ARG 121  -1.766  -2.569   9.429
  958    H    GLY 122           H        GLY 122 -10.655  -1.672   5.711
  959   1HA   GLY 122          2HA       GLY 122 -10.730  -2.040   2.909
  960   2HA   GLY 122          1HA       GLY 122 -11.583  -0.787   3.812
  961    H    PHE 123           H        PHE 123  -8.471  -0.391   4.632
  962    HA   PHE 123           HA       PHE 123  -8.195   1.918   2.957
  963   1HB   PHE 123          2HB       PHE 123  -6.202   0.765   4.904
  964   2HB   PHE 123          1HB       PHE 123  -6.226   2.390   4.241
  965    HD1  PHE 123           1HD      PHE 123  -6.918   4.030   5.674
  966    HD2  PHE 123           2HD      PHE 123  -8.564   0.130   6.093
  967    HE1  PHE 123           1HE      PHE 123  -8.229   4.795   7.608
  968    HE2  PHE 123           2HE      PHE 123  -9.884   0.890   8.024
  969    HZ   PHE 123           HZ       PHE 123  -9.716   3.226   8.784
  970    H    MET 124           H        MET 124  -7.992  -1.019   2.063
  971    HA   MET 124           HA       MET 124  -5.931  -0.544   0.090
  972   1HB   MET 124          2HB       MET 124  -5.834  -2.943   1.937
  973   2HB   MET 124          1HB       MET 124  -4.867  -2.760   0.482
  974   1HG   MET 124          2HG       MET 124  -3.775  -0.804   1.453
  975   2HG   MET 124          1HG       MET 124  -4.745  -0.991   2.913
  976   1HE   MET 124          1HE       MET 124  -1.386  -0.946   2.909
  977   2HE   MET 124          2HE       MET 124  -1.297  -2.062   4.273
  978   3HE   MET 124          3HE       MET 124  -2.559  -0.830   4.222
  979    H    LEU 125           H        LEU 125  -8.527  -2.366   1.458
  980    HA   LEU 125           HA       LEU 125  -9.034  -3.982  -0.857
  981   1HB   LEU 125          2HB       LEU 125 -10.661  -3.426   1.624
  982   2HB   LEU 125          1HB       LEU 125 -11.120  -4.570   0.384
  983    HG   LEU 125           HG       LEU 125 -10.169  -5.708   2.310
  984   1HD1  LEU 125          1HD1      LEU 125  -7.956  -6.491   0.865
  985   2HD1  LEU 125          2HD1      LEU 125  -9.066  -5.890  -0.368
  986   3HD1  LEU 125          3HD1      LEU 125  -9.579  -7.167   0.734
  987   1HD2  LEU 125          1HD2      LEU 125  -7.422  -5.048   2.045
  988   2HD2  LEU 125          2HD2      LEU 125  -8.470  -4.903   3.454
  989   3HD2  LEU 125          3HD2      LEU 125  -8.343  -3.571   2.311
  990    H    TRP 126           H        TRP 126 -10.168  -0.961   0.491
  991    HA   TRP 126           HA       TRP 126 -12.321  -0.701  -1.409
  992   1HB   TRP 126          2HB       TRP 126 -12.753   0.258   0.726
  993   2HB   TRP 126          1HB       TRP 126 -11.215   1.133   0.729
  994    HD1  TRP 126           HD       TRP 126 -12.132   3.509   0.949
  995    HE1  TRP 126           1HE      TRP 126 -13.563   5.061  -0.533
  996    HE3  TRP 126           3HE      TRP 126 -13.730   0.092  -2.497
  997    HZ2  TRP 126           2HZ      TRP 126 -15.157   4.853  -2.852
  998    HZ3  TRP 126           3HZ      TRP 126 -15.208   0.846  -4.311
  999    HH2  TRP 126           HH       TRP 126 -15.908   3.178  -4.485
 1000    HA   PRO 127           HA       PRO 127  -9.286   2.930  -2.962
 1001   1HB   PRO 127          2HB       PRO 127  -6.682   1.869  -2.661
 1002   2HB   PRO 127          1HB       PRO 127  -7.352   3.275  -1.831
 1003   1HG   PRO 127          2HG       PRO 127  -7.108   0.457  -0.909
 1004   2HG   PRO 127          1HG       PRO 127  -7.002   1.961   0.024
 1005   1HD   PRO 127          2HD       PRO 127  -9.174   0.431   0.171
 1006   2HD   PRO 127          1HD       PRO 127  -9.319   2.201   0.124
 1007    H    LEU 128           H        LEU 128  -8.222  -0.480  -2.932
 1008    HA   LEU 128           HA       LEU 128  -7.574  -0.426  -5.739
 1009   1HB   LEU 128          2HB       LEU 128  -6.399  -1.933  -4.171
 1010   2HB   LEU 128          1HB       LEU 128  -7.902  -2.790  -3.888
 1011    HG   LEU 128           HG       LEU 128  -7.980  -3.404  -6.296
 1012   1HD1  LEU 128          1HD1      LEU 128  -6.756  -2.114  -7.646
 1013   2HD1  LEU 128          2HD1      LEU 128  -5.426  -3.183  -7.200
 1014   3HD1  LEU 128          3HD1      LEU 128  -5.644  -1.648  -6.359
 1015   1HD2  LEU 128          1HD2      LEU 128  -7.056  -5.289  -5.615
 1016   2HD2  LEU 128          2HD2      LEU 128  -6.296  -4.439  -4.269
 1017   3HD2  LEU 128          3HD2      LEU 128  -5.453  -4.584  -5.812
 1018    H    PHE 129           H        PHE 129 -10.377  -1.192  -3.793
 1019    HA   PHE 129           HA       PHE 129 -11.711  -2.810  -5.658
 1020   1HB   PHE 129          2HB       PHE 129 -12.384  -2.292  -3.207
 1021   2HB   PHE 129          1HB       PHE 129 -13.255  -0.930  -3.915
 1022    HD1  PHE 129           1HD      PHE 129 -15.258  -1.254  -5.150
 1023    HD2  PHE 129           2HD      PHE 129 -12.979  -4.616  -3.849
 1024    HE1  PHE 129           1HE      PHE 129 -17.112  -2.749  -5.767
 1025    HE2  PHE 129           2HE      PHE 129 -14.828  -6.111  -4.479
 1026    HZ   PHE 129           HZ       PHE 129 -16.897  -5.179  -5.436
 1027    H    GLU 130           H        GLU 130 -10.881   0.465  -5.721
 1028    HA   GLU 130           HA       GLU 130 -12.994   1.209  -7.595
 1029   1HB   GLU 130          2HB       GLU 130 -12.266   2.747  -5.741
 1030   2HB   GLU 130          1HB       GLU 130 -10.716   2.904  -6.553
 1031   1HG   GLU 130          2HG       GLU 130 -13.360   3.651  -7.780
 1032   2HG   GLU 130          1HG       GLU 130 -12.281   4.781  -6.964
 1033    H    ILE 131           H        ILE 131  -9.423   1.197  -7.475
 1034    HA   ILE 131           HA       ILE 131  -9.174   1.670 -10.295
 1035    HB   ILE 131           HB       ILE 131  -6.776   1.268  -9.966
 1036   1HG1  ILE 131          2HG1      ILE 131  -7.512   0.749  -7.077
 1037   2HG1  ILE 131          1HG1      ILE 131  -7.008  -0.490  -8.224
 1038   1HG2  ILE 131          1HG2      ILE 131  -7.289   2.989  -7.664
 1039   2HG2  ILE 131          2HG2      ILE 131  -8.276   3.375  -9.073
 1040   3HG2  ILE 131          3HG2      ILE 131  -6.518   3.356  -9.208
 1041   1HD1  ILE 131          1HD1      ILE 131  -4.907   1.029  -8.491
 1042   2HD1  ILE 131          2HD1      ILE 131  -5.052  -0.067  -7.118
 1043   3HD1  ILE 131          3HD1      ILE 131  -5.409   1.648  -6.917
 1044    H    ALA 132           H        ALA 132 -10.023  -1.048  -8.557
 1045    HA   ALA 132           HA       ALA 132  -9.884  -2.743 -10.817
 1046   1HB   ALA 132          1HB       ALA 132  -7.531  -2.663  -9.196
 1047   2HB   ALA 132          2HB       ALA 132  -7.844  -3.591 -10.663
 1048   3HB   ALA 132          3HB       ALA 132  -8.271  -4.261  -9.089
 1049    HA   PRO 133           HA       PRO 133 -12.783  -4.092  -7.409
 1050   1HB   PRO 133          2HB       PRO 133 -15.091  -3.763  -8.740
 1051   2HB   PRO 133          1HB       PRO 133 -14.291  -2.407  -7.941
 1052   1HG   PRO 133          2HG       PRO 133 -14.304  -3.160 -10.836
 1053   2HG   PRO 133          1HG       PRO 133 -14.452  -1.556 -10.096
 1054   1HD   PRO 133          2HD       PRO 133 -12.121  -2.549 -11.153
 1055   2HD   PRO 133          1HD       PRO 133 -12.187  -1.316  -9.880
 1056    H    GLU 134           H        GLU 134 -11.260  -5.616  -9.458
 1057    HA   GLU 134           HA       GLU 134 -13.225  -7.752  -9.908
 1058   1HB   GLU 134          2HB       GLU 134 -11.113  -6.839 -11.867
 1059   2HB   GLU 134          1HB       GLU 134 -12.136  -8.254 -12.070
 1060   1HG   GLU 134          2HG       GLU 134 -14.113  -6.817 -12.098
 1061   2HG   GLU 134          1HG       GLU 134 -13.081  -5.401 -11.907
 1062    H    LEU 135           H        LEU 135 -10.170  -6.811  -8.749
 1063    HA   LEU 135           HA       LEU 135  -8.762  -9.238  -9.067
 1064   1HB   LEU 135          2HB       LEU 135  -7.565  -7.228  -8.517
 1065   2HB   LEU 135          1HB       LEU 135  -8.471  -7.036  -7.029
 1066    HG   LEU 135           HG       LEU 135  -7.386  -8.954  -6.047
 1067   1HD1  LEU 135          1HD1      LEU 135  -6.944 -10.594  -7.535
 1068   2HD1  LEU 135          2HD1      LEU 135  -5.366  -9.807  -7.605
 1069   3HD1  LEU 135          3HD1      LEU 135  -6.579  -9.462  -8.838
 1070   1HD2  LEU 135          1HD2      LEU 135  -4.920  -8.178  -6.402
 1071   2HD2  LEU 135          2HD2      LEU 135  -6.082  -7.110  -5.612
 1072   3HD2  LEU 135          3HD2      LEU 135  -5.671  -6.868  -7.312
 1073    H    VAL 136           H        VAL 136  -9.623 -11.075  -8.441
 1074    HA   VAL 136           HA       VAL 136 -10.090 -11.616  -5.656
 1075    HB   VAL 136           HB       VAL 136 -12.270 -10.736  -6.084
 1076   1HG1  VAL 136          1HG1      VAL 136 -11.978 -12.164  -8.674
 1077   2HG1  VAL 136          2HG1      VAL 136 -12.624 -10.560  -8.333
 1078   3HG1  VAL 136          3HG1      VAL 136 -13.599 -11.991  -8.002
 1079   1HG2  VAL 136          1HG2      VAL 136 -11.882 -13.289  -5.224
 1080   2HG2  VAL 136          2HG2      VAL 136 -13.042 -13.533  -6.529
 1081   3HG2  VAL 136          3HG2      VAL 136 -13.431 -12.445  -5.195
 1082    H    PHE 137           H        PHE 137  -9.738 -13.714  -5.199
 1083    HA   PHE 137           HA       PHE 137 -10.295 -16.034  -6.196
 1084   1HB   PHE 137          2HB       PHE 137  -9.761 -15.380  -8.500
 1085   2HB   PHE 137          1HB       PHE 137  -8.081 -15.135  -8.041
 1086    HD1  PHE 137           1HD      PHE 137  -6.782 -16.762  -9.023
 1087    HD2  PHE 137           2HD      PHE 137 -10.526 -17.860  -7.326
 1088    HE1  PHE 137           1HE      PHE 137  -6.312 -19.126  -9.522
 1089    HE2  PHE 137           2HE      PHE 137 -10.062 -20.225  -7.820
 1090    HZ   PHE 137           HZ       PHE 137  -7.937 -20.859  -8.914
 1091    HA   PRO 138           HA       PRO 138  -5.454 -16.356  -4.911
 1092   1HB   PRO 138          2HB       PRO 138  -5.725 -13.813  -3.339
 1093   2HB   PRO 138          1HB       PRO 138  -4.276 -14.548  -4.040
 1094   1HG   PRO 138          2HG       PRO 138  -5.432 -12.517  -5.274
 1095   2HG   PRO 138          1HG       PRO 138  -4.840 -13.901  -6.211
 1096   1HD   PRO 138          2HD       PRO 138  -7.638 -13.153  -5.490
 1097   2HD   PRO 138          1HD       PRO 138  -7.020 -13.939  -6.959
 1098    H    ASP 139           H        ASP 139  -7.774 -14.627  -2.872
 1099    HA   ASP 139           HA       ASP 139  -7.578 -16.780  -0.876
 1100   1HB   ASP 139          2HB       ASP 139  -8.502 -15.120   0.731
 1101   2HB   ASP 139          1HB       ASP 139  -6.957 -14.617   0.051
 1102    H    GLY 140           H        GLY 140  -9.372 -15.670  -3.376
 1103   1HA   GLY 140          2HA       GLY 140 -11.378 -16.533  -4.174
 1104   2HA   GLY 140          1HA       GLY 140 -11.704 -17.210  -2.583
 1105    H    GLU 141           H        GLU 141 -10.757 -13.919  -2.824
 1106    HA   GLU 141           HA       GLU 141 -13.490 -12.951  -2.910
 1107   1HB   GLU 141          2HB       GLU 141 -11.697 -12.293  -0.576
 1108   2HB   GLU 141          1HB       GLU 141 -13.338 -11.735  -0.826
 1109   1HG   GLU 141          2HG       GLU 141 -12.585 -14.603  -0.404
 1110   2HG   GLU 141          1HG       GLU 141 -13.111 -13.520   0.864
 1111    H    MET 142           H        MET 142 -13.664 -10.801  -3.453
 1112    HA   MET 142           HA       MET 142 -11.531  -9.619  -4.897
 1113   1HB   MET 142          2HB       MET 142 -14.040  -8.359  -3.768
 1114   2HB   MET 142          1HB       MET 142 -12.952  -7.573  -4.900
 1115   1HG   MET 142          2HG       MET 142 -13.462  -9.247  -6.563
 1116   2HG   MET 142          1HG       MET 142 -14.516 -10.062  -5.414
 1117   1HE   MET 142          1HE       MET 142 -16.517 -10.022  -7.163
 1118   2HE   MET 142          2HE       MET 142 -15.463  -9.227  -8.333
 1119   3HE   MET 142          3HE       MET 142 -17.060  -8.560  -7.989
 1120    H    LEU 143           H        LEU 143 -11.763  -6.951  -3.936
 1121    HA   LEU 143           HA       LEU 143  -9.954  -7.130  -1.683
 1122   1HB   LEU 143          2HB       LEU 143 -10.971  -4.824  -3.319
 1123   2HB   LEU 143          1HB       LEU 143  -9.902  -4.634  -1.948
 1124    HG   LEU 143           HG       LEU 143  -8.629  -4.479  -3.897
 1125   1HD1  LEU 143          1HD1      LEU 143  -7.627  -5.726  -2.029
 1126   2HD1  LEU 143          2HD1      LEU 143  -7.000  -6.253  -3.591
 1127   3HD1  LEU 143          3HD1      LEU 143  -8.200  -7.231  -2.745
 1128   1HD2  LEU 143          1HD2      LEU 143  -9.170  -7.207  -4.886
 1129   2HD2  LEU 143          2HD2      LEU 143  -8.827  -5.725  -5.778
 1130   3HD2  LEU 143          3HD2      LEU 143 -10.443  -6.012  -5.132
 1131    H    ARG 144           H        ARG 144 -12.521  -4.935  -2.425
 1132    HA   ARG 144           HA       ARG 144 -13.042  -4.333   0.243
 1133   1HB   ARG 144          2HB       ARG 144 -13.284  -2.660  -1.459
 1134   2HB   ARG 144          1HB       ARG 144 -14.542  -3.591  -2.231
 1135   1HG   ARG 144          2HG       ARG 144 -15.914  -3.344  -0.162
 1136   2HG   ARG 144          1HG       ARG 144 -14.680  -2.254   0.460
 1137   1HD   ARG 144          2HD       ARG 144 -16.369  -0.885  -0.461
 1138   2HD   ARG 144          1HD       ARG 144 -15.039  -0.865  -1.618
 1139    HE   ARG 144           HE       ARG 144 -16.744  -2.894  -2.412
 1140   1HH1  ARG 144          1HH1      ARG 144 -16.888   0.561  -1.982
 1141   2HH1  ARG 144          2HH1      ARG 144 -18.086   0.794  -3.211
 1142   1HH2  ARG 144          1HH2      ARG 144 -18.332  -2.594  -4.027
 1143   2HH2  ARG 144          2HH2      ARG 144 -18.907  -0.997  -4.372
 1144    H    GLN 145           H        GLN 145 -15.078  -6.101  -2.109
 1145    HA   GLN 145           HA       GLN 145 -17.315  -6.352  -0.595
 1146   1HB   GLN 145          2HB       GLN 145 -17.968  -7.749  -2.202
 1147   2HB   GLN 145          1HB       GLN 145 -16.360  -7.583  -2.886
 1148   1HG   GLN 145          2HG       GLN 145 -17.249  -9.715  -0.968
 1149   2HG   GLN 145          1HG       GLN 145 -17.029  -9.905  -2.706
 1150   1HE2  GLN 145          1HE2      GLN 145 -14.697  -7.852  -1.992
 1151   2HE2  GLN 145          2HE2      GLN 145 -13.426  -8.913  -1.548
 1152    H    ILE 146           H        ILE 146 -14.222  -7.894   0.086
 1153    HA   ILE 146           HA       ILE 146 -15.340  -9.681   2.077
 1154    HB   ILE 146           HB       ILE 146 -12.610  -9.228   2.664
 1155   1HG1  ILE 146          2HG1      ILE 146 -12.983  -9.935  -0.243
 1156   2HG1  ILE 146          1HG1      ILE 146 -12.480  -8.343   0.320
 1157   1HG2  ILE 146          1HG2      ILE 146 -12.947 -11.379   3.067
 1158   2HG2  ILE 146          2HG2      ILE 146 -12.883 -11.681   1.330
 1159   3HG2  ILE 146          3HG2      ILE 146 -14.432 -11.372   2.114
 1160   1HD1  ILE 146          1HD1      ILE 146 -10.870 -10.402   1.520
 1161   2HD1  ILE 146          2HD1      ILE 146 -10.382  -9.016   0.544
 1162   3HD1  ILE 146          3HD1      ILE 146 -10.849 -10.525  -0.239
 1163    H    LEU 147           H        LEU 147 -13.299  -6.753   2.081
 1164    HA   LEU 147           HA       LEU 147 -13.440  -6.496   4.935
 1165   1HB   LEU 147          2HB       LEU 147 -11.752  -5.077   4.649
 1166   2HB   LEU 147          1HB       LEU 147 -11.792  -5.561   2.971
 1167    HG   LEU 147           HG       LEU 147 -11.578  -3.210   3.087
 1168   1HD1  LEU 147          1HD1      LEU 147 -13.876  -4.402   1.881
 1169   2HD1  LEU 147          2HD1      LEU 147 -12.753  -3.192   1.249
 1170   3HD1  LEU 147          3HD1      LEU 147 -14.132  -2.696   2.241
 1171   1HD2  LEU 147          1HD2      LEU 147 -12.843  -1.719   4.309
 1172   2HD2  LEU 147          2HD2      LEU 147 -12.700  -3.089   5.407
 1173   3HD2  LEU 147          3HD2      LEU 147 -14.184  -2.847   4.488
 1174    H    HIS 148           H        HIS 148 -15.520  -5.760   2.454
 1175    HA   HIS 148           HA       HIS 148 -16.817  -3.509   3.680
 1176   1HB   HIS 148          2HB       HIS 148 -16.770  -3.690   1.272
 1177   2HB   HIS 148          1HB       HIS 148 -17.556  -5.268   1.320
 1178    HD1  HIS 148           1HD      HIS 148 -19.303  -3.988  -0.319
 1179    HD2  HIS 148           2HD      HIS 148 -19.254  -2.740   3.647
 1180    HE1  HIS 148           1HE      HIS 148 -21.432  -2.689   0.003
 1181    HE2  HIS 148           2HE      HIS 148 -21.338  -1.867   2.384
 1182    H    THR 149           H        THR 149 -17.057  -6.946   3.522
 1183    HA   THR 149           HA       THR 149 -19.546  -6.966   5.062
 1184    HB   THR 149           HB       THR 149 -19.484  -9.402   4.678
 1185    HG1  THR 149           1HG      THR 149 -17.660 -10.263   4.180
 1186   1HG2  THR 149          1HG2      THR 149 -20.020  -7.493   2.763
 1187   2HG2  THR 149          2HG2      THR 149 -20.445  -9.203   2.686
 1188   3HG2  THR 149          3HG2      THR 149 -18.953  -8.632   1.940
 1189    H    ARG 150           H        ARG 150 -16.158  -7.206   5.488
 1190    HA   ARG 150           HA       ARG 150 -16.529  -8.430   8.139
 1191   1HB   ARG 150          2HB       ARG 150 -14.102  -8.406   6.347
 1192   2HB   ARG 150          1HB       ARG 150 -14.114  -9.037   7.989
 1193   1HG   ARG 150          2HG       ARG 150 -15.884 -10.059   5.781
 1194   2HG   ARG 150          1HG       ARG 150 -14.326 -10.767   6.216
 1195   1HD   ARG 150          2HD       ARG 150 -15.130 -11.262   8.439
 1196   2HD   ARG 150          1HD       ARG 150 -16.655 -10.444   8.106
 1197    HE   ARG 150           HE       ARG 150 -17.390 -12.396   7.209
 1198   1HH1  ARG 150          1HH1      ARG 150 -13.913 -12.341   6.931
 1199   2HH1  ARG 150          2HH1      ARG 150 -13.823 -13.903   6.188
 1200   1HH2  ARG 150          1HH2      ARG 150 -17.275 -14.448   6.234
 1201   2HH2  ARG 150          2HH2      ARG 150 -15.733 -15.101   5.793
 1202    H    ALA 151           H        ALA 151 -14.933  -5.736   6.445
 1203    HA   ALA 151           HA       ALA 151 -14.162  -4.688   9.091
 1204   1HB   ALA 151          1HB       ALA 151 -12.604  -3.206   7.719
 1205   2HB   ALA 151          2HB       ALA 151 -12.961  -4.295   6.379
 1206   3HB   ALA 151          3HB       ALA 151 -12.211  -4.920   7.847
 1207    H    PHE 152           H        PHE 152 -13.961  -2.379   6.575
 1208    HA   PHE 152           HA       PHE 152 -16.174  -0.915   7.781
 1209   1HB   PHE 152          2HB       PHE 152 -13.821   0.044   7.406
 1210   2HB   PHE 152          1HB       PHE 152 -14.235   0.099   5.698
 1211    HD1  PHE 152           1HD      PHE 152 -14.326   2.375   5.227
 1212    HD2  PHE 152           2HD      PHE 152 -16.383   0.857   8.629
 1213    HE1  PHE 152           1HE      PHE 152 -15.390   4.568   5.555
 1214    HE2  PHE 152           2HE      PHE 152 -17.451   3.049   8.963
 1215    HZ   PHE 152           HZ       PHE 152 -16.921   4.922   7.438
 1216    H    ASP 153           H        ASP 153 -17.089   0.674   5.809
 1217    HA   ASP 153           HA       ASP 153 -18.214  -1.267   3.911
 1218   1HB   ASP 153          2HB       ASP 153 -19.350   1.370   4.876
 1219   2HB   ASP 153          1HB       ASP 153 -20.121   0.303   3.708
 1220    H    LYS 154           H        LYS 154 -16.998   2.042   4.206
 1221    HA   LYS 154           HA       LYS 154 -15.659   1.976   1.728
 1222   1HB   LYS 154          2HB       LYS 154 -17.958   2.118   0.846
 1223   2HB   LYS 154          1HB       LYS 154 -18.212   3.599   1.754
 1224   1HG   LYS 154          2HG       LYS 154 -15.920   3.521  -0.125
 1225   2HG   LYS 154          1HG       LYS 154 -17.544   3.596  -0.808
 1226   1HD   LYS 154          2HD       LYS 154 -18.007   5.588   0.553
 1227   2HD   LYS 154          1HD       LYS 154 -16.370   5.510   1.203
 1228   1HE   LYS 154          2HE       LYS 154 -15.462   5.817  -1.050
 1229   2HE   LYS 154          1HE       LYS 154 -17.099   5.893  -1.699
 1230   1HZ   LYS 154          1HZ       LYS 154 -16.712   7.750   0.432
 1231   2HZ   LYS 154          2HZ       LYS 154 -17.265   8.022  -1.143
 1232   3HZ   LYS 154          3HZ       LYS 154 -15.604   8.005  -0.820
 1233    H    LEU 155           H        LEU 155 -13.933   2.988   2.441
 1234    HA   LEU 155           HA       LEU 155 -13.812   4.924   4.467
 1235   1HB   LEU 155          2HB       LEU 155 -11.832   4.469   2.233
 1236   2HB   LEU 155          1HB       LEU 155 -11.513   5.302   3.737
 1237    HG   LEU 155           HG       LEU 155 -11.872   3.125   4.956
 1238   1HD1  LEU 155          1HD1      LEU 155 -11.524   1.125   3.307
 1239   2HD1  LEU 155          2HD1      LEU 155 -12.351   2.194   2.176
 1240   3HD1  LEU 155          3HD1      LEU 155 -13.140   1.722   3.681
 1241   1HD2  LEU 155          1HD2      LEU 155  -9.779   2.615   2.937
 1242   2HD2  LEU 155          2HD2      LEU 155  -9.702   2.565   4.699
 1243   3HD2  LEU 155          3HD2      LEU 155  -9.677   4.115   3.858
 1244    H    ASN 156           H        ASN 156 -12.327   7.067   3.629
 1245    HA   ASN 156           HA       ASN 156 -14.076   8.365   1.654
 1246   1HB   ASN 156          2HB       ASN 156 -13.764  10.495   2.938
 1247   2HB   ASN 156          1HB       ASN 156 -14.708   9.267   3.770
 1248   1HD2  ASN 156          1HD2      ASN 156 -11.547   8.284   3.869
 1249   2HD2  ASN 156          2HD2      ASN 156 -11.107   8.938   5.401
 1250    H    LYS 157           H        LYS 157 -13.016   8.895  -0.113
 1251    HA   LYS 157           HA       LYS 157 -10.233   8.832  -0.375
 1252   1HB   LYS 157          2HB       LYS 157 -12.249  10.267  -2.111
 1253   2HB   LYS 157          1HB       LYS 157 -10.583   9.923  -2.556
 1254   1HG   LYS 157          2HG       LYS 157 -11.066   7.507  -2.331
 1255   2HG   LYS 157          1HG       LYS 157 -12.756   7.911  -2.022
 1256   1HD   LYS 157          2HD       LYS 157 -12.882   9.004  -4.218
 1257   2HD   LYS 157          1HD       LYS 157 -11.201   8.563  -4.525
 1258   1HE   LYS 157          2HE       LYS 157 -12.650   6.985  -5.627
 1259   2HE   LYS 157          1HE       LYS 157 -11.818   6.184  -4.293
 1260   1HZ   LYS 157          1HZ       LYS 157 -14.609   7.196  -4.244
 1261   2HZ   LYS 157          2HZ       LYS 157 -13.813   6.464  -2.944
 1262   3HZ   LYS 157          3HZ       LYS 157 -14.140   5.574  -4.344
 1263    H    TRP 158           H        TRP 158  -9.307  10.023   1.220
 1264    HA   TRP 158           HA       TRP 158  -8.679  11.844   2.451
 1265   1HB   TRP 158          2HB       TRP 158  -7.169  11.760   0.479
 1266   2HB   TRP 158          1HB       TRP 158  -8.229  12.891  -0.353
 1267    HD1  TRP 158           HD       TRP 158  -7.037  15.150  -0.413
 1268    HE1  TRP 158           1HE      TRP 158  -5.747  16.603   1.273
 1269    HE3  TRP 158           3HE      TRP 158  -7.057  11.968   3.593
 1270    HZ2  TRP 158           2HZ      TRP 158  -4.855  16.426   3.943
 1271    HZ3  TRP 158           3HZ      TRP 158  -5.963  12.689   5.675
 1272    HH2  TRP 158           HH       TRP 158  -4.883  14.872   5.845
  Start of MODEL    8
    1   1H    THR   1          1HT       THR   1   4.063 -10.643 -14.898
    2   2H    THR   1          2HT       THR   1   4.536  -9.241 -14.081
    3   3H    THR   1          3HT       THR   1   3.241  -9.189 -15.167
    4    HA   THR   1           HA       THR   1   1.949 -10.648 -13.757
    5    HB   THR   1           HB       THR   1   4.369 -10.423 -11.951
    6    HG1  THR   1           1HG      THR   1   3.749 -12.913 -12.378
    7   1HG2  THR   1          1HG2      THR   1   2.633 -10.544 -10.431
    8   2HG2  THR   1          2HG2      THR   1   3.066 -12.237 -10.672
    9   3HG2  THR   1          3HG2      THR   1   1.649 -11.565 -11.480
   10    H    VAL   2           H        VAL   2   0.375  -9.328 -13.137
   11    HA   VAL   2           HA       VAL   2   0.867  -6.612 -12.410
   12    HB   VAL   2           HB       VAL   2  -1.723  -8.152 -12.190
   13   1HG1  VAL   2          1HG1      VAL   2  -1.231  -5.760 -11.108
   14   2HG1  VAL   2          2HG1      VAL   2  -2.795  -6.190 -11.803
   15   3HG1  VAL   2          3HG1      VAL   2  -1.641  -5.247 -12.745
   16   1HG2  VAL   2          1HG2      VAL   2  -1.075  -6.340 -14.468
   17   2HG2  VAL   2          2HG2      VAL   2  -2.193  -7.703 -14.396
   18   3HG2  VAL   2          3HG2      VAL   2  -0.455  -7.992 -14.478
   19    H    ALA   3           H        ALA   3   1.829  -6.245 -10.520
   20    HA   ALA   3           HA       ALA   3   1.121  -7.762  -8.145
   21   1HB   ALA   3          1HB       ALA   3   3.221  -7.359  -7.562
   22   2HB   ALA   3          2HB       ALA   3   2.941  -5.618  -7.618
   23   3HB   ALA   3          3HB       ALA   3   3.441  -6.478  -9.074
   24    H    TYR   4           H        TYR   4  -0.138  -7.053  -6.509
   25    HA   TYR   4           HA       TYR   4  -1.231  -4.330  -6.743
   26   1HB   TYR   4          2HB       TYR   4  -2.339  -6.786  -5.388
   27   2HB   TYR   4          1HB       TYR   4  -3.094  -5.199  -5.343
   28    HD1  TYR   4           1HD      TYR   4  -1.736  -7.554  -7.927
   29    HD2  TYR   4           2HD      TYR   4  -4.839  -4.867  -6.804
   30    HE1  TYR   4           1HE      TYR   4  -2.922  -8.057 -10.021
   31    HE2  TYR   4           2HE      TYR   4  -6.033  -5.365  -8.894
   32    HH   TYR   4           HH       TYR   4  -6.150  -6.826 -10.647
   33    H    ILE   5           H        ILE   5  -0.026  -3.019  -5.590
   34    HA   ILE   5           HA       ILE   5   0.671  -3.730  -2.830
   35    HB   ILE   5           HB       ILE   5   1.912  -1.316  -3.948
   36   1HG1  ILE   5          2HG1      ILE   5   2.510  -4.017  -5.171
   37   2HG1  ILE   5          1HG1      ILE   5   1.823  -2.637  -6.002
   38   1HG2  ILE   5          1HG2      ILE   5   3.008  -3.806  -2.642
   39   2HG2  ILE   5          2HG2      ILE   5   2.575  -2.303  -1.826
   40   3HG2  ILE   5          3HG2      ILE   5   3.916  -2.331  -2.972
   41   1HD1  ILE   5          1HD1      ILE   5   3.839  -1.427  -5.851
   42   2HD1  ILE   5          2HD1      ILE   5   4.261  -3.053  -6.391
   43   3HD1  ILE   5          3HD1      ILE   5   4.527  -2.583  -4.710
   44    H    ALA   6           H        ALA   6   0.373  -2.234  -1.190
   45    HA   ALA   6           HA       ALA   6  -1.519  -0.040  -1.753
   46   1HB   ALA   6          1HB       ALA   6  -1.259  -1.607   0.816
   47   2HB   ALA   6          2HB       ALA   6  -2.504  -1.868  -0.406
   48   3HB   ALA   6          3HB       ALA   6  -2.435  -0.339   0.471
   49    H    ILE   7           H        ILE   7  -0.551   1.892  -1.575
   50    HA   ILE   7           HA       ILE   7   1.861   2.128   0.064
   51    HB   ILE   7           HB       ILE   7   2.006   2.864  -2.254
   52   1HG1  ILE   7          2HG1      ILE   7   2.106   5.213  -0.347
   53   2HG1  ILE   7          1HG1      ILE   7   3.369   3.997  -0.519
   54   1HG2  ILE   7          1HG2      ILE   7   0.755   5.117  -2.715
   55   2HG2  ILE   7          2HG2      ILE   7  -0.350   4.515  -1.479
   56   3HG2  ILE   7          3HG2      ILE   7  -0.065   3.572  -2.943
   57   1HD1  ILE   7          1HD1      ILE   7   4.058   5.879  -1.761
   58   2HD1  ILE   7          2HD1      ILE   7   2.480   6.036  -2.533
   59   3HD1  ILE   7          3HD1      ILE   7   3.529   4.676  -2.937
   60    H    GLY   8           H        GLY   8   2.156   3.638   1.671
   61   1HA   GLY   8          2HA       GLY   8  -0.121   5.340   2.422
   62   2HA   GLY   8          1HA       GLY   8   0.514   4.213   3.611
   63    H    SER   9           H        SER   9   0.423   7.242   3.489
   64    HA   SER   9           HA       SER   9   3.166   7.649   4.386
   65   1HB   SER   9          2HB       SER   9   1.946   9.274   2.144
   66   2HB   SER   9          1HB       SER   9   3.455   9.668   2.971
   67    HG   SER   9           HG       SER   9   2.881   7.556   1.216
   68    H    ASN  10           H        ASN  10   3.462   9.538   5.667
   69    HA   ASN  10           HA       ASN  10   1.321  11.358   6.218
   70   1HB   ASN  10          2HB       ASN  10   0.540   9.377   7.477
   71   2HB   ASN  10          1HB       ASN  10   2.052   9.366   8.377
   72   1HD2  ASN  10          1HD2      ASN  10  -0.992   9.984   8.822
   73   2HD2  ASN  10          2HD2      ASN  10  -0.933  11.351   9.876
   74    H    LEU  11           H        LEU  11   2.324  13.232   6.596
   75    HA   LEU  11           HA       LEU  11   4.165  13.689   8.628
   76   1HB   LEU  11          2HB       LEU  11   6.163  14.255   7.084
   77   2HB   LEU  11          1HB       LEU  11   5.914  12.603   7.606
   78    HG   LEU  11           HG       LEU  11   4.855  12.108   5.412
   79   1HD1  LEU  11          1HD1      LEU  11   5.477  14.989   4.962
   80   2HD1  LEU  11          2HD1      LEU  11   4.040  14.063   4.524
   81   3HD1  LEU  11          3HD1      LEU  11   5.533  13.860   3.608
   82   1HD2  LEU  11          1HD2      LEU  11   7.012  11.378   5.401
   83   2HD2  LEU  11          2HD2      LEU  11   7.675  12.978   5.739
   84   3HD2  LEU  11          3HD2      LEU  11   7.110  12.581   4.116
   85    H    ALA  12           H        ALA  12   1.965  15.028   7.959
   86    HA   ALA  12           HA       ALA  12   1.217  17.183   7.833
   87   1HB   ALA  12          1HB       ALA  12   2.780  18.583   8.567
   88   2HB   ALA  12          2HB       ALA  12   3.327  18.753   6.899
   89   3HB   ALA  12          3HB       ALA  12   4.072  17.552   7.954
   90    H    SER  13           H        SER  13   3.540  16.378   5.281
   91    HA   SER  13           HA       SER  13   1.536  17.194   3.288
   92   1HB   SER  13          2HB       SER  13   3.414  18.778   3.268
   93   2HB   SER  13          1HB       SER  13   4.552  17.444   3.083
   94    HG   SER  13           HG       SER  13   2.972  17.049   1.142
   95    HA   PRO  14           HA       PRO  14   2.512  12.573   3.234
   96   1HB   PRO  14          2HB       PRO  14  -0.074  12.116   2.236
   97   2HB   PRO  14          1HB       PRO  14   0.472  11.879   3.897
   98   1HG   PRO  14          2HG       PRO  14  -0.979  14.182   2.686
   99   2HG   PRO  14          1HG       PRO  14  -1.117  13.493   4.315
  100   1HD   PRO  14          2HD       PRO  14   0.181  15.790   3.892
  101   2HD   PRO  14          1HD       PRO  14   0.776  14.607   5.077
  102    H    LEU  15           H        LEU  15   1.358  14.905   0.920
  103    HA   LEU  15           HA       LEU  15   1.300  13.263  -1.363
  104   1HB   LEU  15          2HB       LEU  15   0.326  15.512  -1.303
  105   2HB   LEU  15          1HB       LEU  15   1.927  16.209  -1.150
  106    HG   LEU  15           HG       LEU  15   2.505  15.343  -3.392
  107   1HD1  LEU  15          1HD1      LEU  15  -0.253  14.223  -3.193
  108   2HD1  LEU  15          2HD1      LEU  15   1.225  13.477  -3.802
  109   3HD1  LEU  15          3HD1      LEU  15   0.387  14.692  -4.767
  110   1HD2  LEU  15          1HD2      LEU  15   0.165  17.173  -3.021
  111   2HD2  LEU  15          2HD2      LEU  15   0.772  16.799  -4.636
  112   3HD2  LEU  15          3HD2      LEU  15   1.832  17.562  -3.450
  113    H    GLU  16           H        GLU  16   3.912  14.876   0.311
  114    HA   GLU  16           HA       GLU  16   5.857  14.489  -1.748
  115   1HB   GLU  16          2HB       GLU  16   6.222  15.087   1.194
  116   2HB   GLU  16          1HB       GLU  16   7.486  15.174  -0.025
  117   1HG   GLU  16          2HG       GLU  16   6.262  16.949  -1.171
  118   2HG   GLU  16          1HG       GLU  16   4.995  16.863   0.049
  119    H    GLN  17           H        GLN  17   5.122  12.830   1.313
  120    HA   GLN  17           HA       GLN  17   7.214  10.949   1.131
  121   1HB   GLN  17          2HB       GLN  17   5.965  11.459   3.212
  122   2HB   GLN  17          1HB       GLN  17   4.566  10.633   2.548
  123   1HG   GLN  17          2HG       GLN  17   5.721   9.185   4.075
  124   2HG   GLN  17          1HG       GLN  17   5.864   8.556   2.435
  125   1HE2  GLN  17          1HE2      GLN  17   7.826  11.219   2.680
  126   2HE2  GLN  17          2HE2      GLN  17   9.312  10.426   3.043
  127    H    VAL  18           H        VAL  18   3.745  10.615   0.367
  128    HA   VAL  18           HA       VAL  18   3.737   8.027  -0.576
  129    HB   VAL  18           HB       VAL  18   1.689   9.385  -0.364
  130   1HG1  VAL  18          1HG1      VAL  18   2.990  11.318  -1.716
  131   2HG1  VAL  18          2HG1      VAL  18   1.236  11.247  -1.549
  132   3HG1  VAL  18          3HG1      VAL  18   2.007  10.635  -3.012
  133   1HG2  VAL  18          1HG2      VAL  18   2.099   8.267  -3.135
  134   2HG2  VAL  18          2HG2      VAL  18   0.542   8.562  -2.360
  135   3HG2  VAL  18          3HG2      VAL  18   1.637   7.345  -1.704
  136    H    ASN  19           H        ASN  19   4.746  10.977  -2.177
  137    HA   ASN  19           HA       ASN  19   5.139   9.978  -4.770
  138   1HB   ASN  19          2HB       ASN  19   5.093  12.376  -4.178
  139   2HB   ASN  19          1HB       ASN  19   6.628  12.192  -3.340
  140   1HD2  ASN  19          1HD2      ASN  19   5.280  13.258  -6.083
  141   2HD2  ASN  19          2HD2      ASN  19   6.611  13.075  -7.166
  142    H    ALA  20           H        ALA  20   7.207  10.078  -1.923
  143    HA   ALA  20           HA       ALA  20   9.654   9.369  -2.966
  144   1HB   ALA  20          1HB       ALA  20   8.439   8.433  -0.369
  145   2HB   ALA  20          2HB       ALA  20   9.332   9.933  -0.622
  146   3HB   ALA  20          3HB       ALA  20  10.155   8.381  -0.778
  147    H    ALA  21           H        ALA  21   7.118   7.157  -1.798
  148    HA   ALA  21           HA       ALA  21   8.457   4.806  -2.704
  149   1HB   ALA  21          1HB       ALA  21   6.932   3.986  -1.294
  150   2HB   ALA  21          2HB       ALA  21   5.761   4.165  -2.601
  151   3HB   ALA  21          3HB       ALA  21   5.942   5.442  -1.399
  152    H    LEU  22           H        LEU  22   6.423   7.175  -4.170
  153    HA   LEU  22           HA       LEU  22   5.635   5.599  -6.428
  154   1HB   LEU  22          2HB       LEU  22   5.565   8.560  -5.872
  155   2HB   LEU  22          1HB       LEU  22   5.003   7.869  -7.376
  156    HG   LEU  22           HG       LEU  22   3.866   7.302  -4.638
  157   1HD1  LEU  22          1HD1      LEU  22   2.552   9.054  -4.957
  158   2HD1  LEU  22          2HD1      LEU  22   1.993   8.375  -6.487
  159   3HD1  LEU  22          3HD1      LEU  22   3.411   9.423  -6.452
  160   1HD2  LEU  22          1HD2      LEU  22   2.113   6.443  -6.638
  161   2HD2  LEU  22          2HD2      LEU  22   3.044   5.439  -5.527
  162   3HD2  LEU  22          3HD2      LEU  22   3.701   5.840  -7.113
  163    H    LYS  23           H        LYS  23   8.438   7.335  -5.520
  164    HA   LYS  23           HA       LYS  23   9.419   7.893  -8.151
  165   1HB   LYS  23          2HB       LYS  23  10.803   7.759  -5.466
  166   2HB   LYS  23          1HB       LYS  23  11.613   8.225  -6.954
  167   1HG   LYS  23          2HG       LYS  23  10.102  10.127  -7.187
  168   2HG   LYS  23          1HG       LYS  23   9.279   9.655  -5.698
  169   1HD   LYS  23          2HD       LYS  23  11.325   9.994  -4.434
  170   2HD   LYS  23          1HD       LYS  23  12.200  10.385  -5.915
  171   1HE   LYS  23          2HE       LYS  23   9.889  11.941  -4.758
  172   2HE   LYS  23          1HE       LYS  23  11.588  12.400  -4.673
  173   1HZ   LYS  23          1HZ       LYS  23  10.880  11.896  -7.354
  174   2HZ   LYS  23          2HZ       LYS  23  11.430  13.335  -6.658
  175   3HZ   LYS  23          3HZ       LYS  23   9.774  12.988  -6.687
  176    H    ALA  24           H        ALA  24  10.034   5.400  -5.708
  177    HA   ALA  24           HA       ALA  24  11.806   3.917  -7.424
  178   1HB   ALA  24          1HB       ALA  24  12.419   3.256  -5.379
  179   2HB   ALA  24          2HB       ALA  24  11.026   2.175  -5.442
  180   3HB   ALA  24          3HB       ALA  24  10.883   3.753  -4.666
  181    H    LEU  25           H        LEU  25   8.454   3.574  -6.315
  182    HA   LEU  25           HA       LEU  25   7.922   1.138  -7.621
  183   1HB   LEU  25          2HB       LEU  25   6.510   2.237  -5.825
  184   2HB   LEU  25          1HB       LEU  25   5.907   3.313  -7.077
  185    HG   LEU  25           HG       LEU  25   5.063   1.315  -8.307
  186   1HD1  LEU  25          1HD1      LEU  25   5.095  -0.414  -5.983
  187   2HD1  LEU  25          2HD1      LEU  25   6.719  -0.066  -6.578
  188   3HD1  LEU  25          3HD1      LEU  25   5.515  -0.764  -7.661
  189   1HD2  LEU  25          1HD2      LEU  25   4.079   1.751  -5.491
  190   2HD2  LEU  25          2HD2      LEU  25   3.187   0.897  -6.749
  191   3HD2  LEU  25          3HD2      LEU  25   3.557   2.610  -6.940
  192    H    GLY  26           H        GLY  26   7.508   4.513  -8.614
  193   1HA   GLY  26          2HA       GLY  26   6.192   4.192 -11.020
  194   2HA   GLY  26          1HA       GLY  26   7.388   5.446 -10.718
  195    H    ASP  27           H        ASP  27   9.658   3.940 -10.364
  196    HA   ASP  27           HA       ASP  27   9.937   2.438 -12.874
  197   1HB   ASP  27          2HB       ASP  27  10.863   4.671 -13.234
  198   2HB   ASP  27          1HB       ASP  27  11.867   4.507 -11.796
  199    H    ILE  28           H        ILE  28  10.106   0.448 -12.047
  200    HA   ILE  28           HA       ILE  28  12.096  -0.046  -9.928
  201    HB   ILE  28           HB       ILE  28   9.905  -1.942 -10.755
  202   1HG1  ILE  28          2HG1      ILE  28   9.808   0.187  -8.604
  203   2HG1  ILE  28          1HG1      ILE  28   8.817   0.128 -10.057
  204   1HG2  ILE  28          1HG2      ILE  28  11.658  -1.720  -8.328
  205   2HG2  ILE  28          2HG2      ILE  28  11.594  -3.027  -9.510
  206   3HG2  ILE  28          3HG2      ILE  28  10.240  -2.766  -8.409
  207   1HD1  ILE  28          1HD1      ILE  28   8.206  -2.254  -8.968
  208   2HD1  ILE  28          2HD1      ILE  28   7.313  -0.766  -8.654
  209   3HD1  ILE  28          3HD1      ILE  28   8.541  -1.315  -7.514
  210    HA   PRO  29           HA       PRO  29  15.099  -2.210 -12.376
  211   1HB   PRO  29          2HB       PRO  29  13.914  -4.539 -10.895
  212   2HB   PRO  29          1HB       PRO  29  15.600  -4.213 -11.290
  213   1HG   PRO  29          2HG       PRO  29  14.496  -3.602  -8.877
  214   2HG   PRO  29          1HG       PRO  29  15.855  -2.710  -9.581
  215   1HD   PRO  29          2HD       PRO  29  13.173  -1.780  -9.082
  216   2HD   PRO  29          1HD       PRO  29  14.545  -0.872  -9.748
  217    H    GLU  30           H        GLU  30  11.960  -3.930 -12.024
  218    HA   GLU  30           HA       GLU  30  11.928  -4.281 -14.936
  219   1HB   GLU  30          2HB       GLU  30  11.363  -6.540 -13.012
  220   2HB   GLU  30          1HB       GLU  30  11.334  -6.622 -14.767
  221   1HG   GLU  30          2HG       GLU  30  13.748  -6.127 -14.798
  222   2HG   GLU  30          1HG       GLU  30  13.745  -6.142 -13.034
  223    H    SER  31           H        SER  31  10.351  -3.092 -12.367
  224    HA   SER  31           HA       SER  31   7.677  -3.950 -13.234
  225   1HB   SER  31          2HB       SER  31   8.309  -2.254 -10.825
  226   2HB   SER  31          1HB       SER  31   6.866  -3.220 -11.131
  227    HG   SER  31           HG       SER  31   9.198  -4.663 -11.169
  228    H    HIS  32           H        HIS  32   5.938  -2.214 -13.170
  229    HA   HIS  32           HA       HIS  32   6.784   0.494 -13.620
  230   1HB   HIS  32          2HB       HIS  32   5.816   0.666 -15.912
  231   2HB   HIS  32          1HB       HIS  32   7.290  -0.284 -15.821
  232    HD1  HIS  32           1HD      HIS  32   6.638  -3.036 -15.488
  233    HD2  HIS  32           2HD      HIS  32   3.974  -0.527 -17.455
  234    HE1  HIS  32           1HE      HIS  32   5.177  -4.551 -16.860
  235    HE2  HIS  32           2HE      HIS  32   3.499  -3.020 -17.950
  236    H    ILE  33           H        ILE  33   5.292   1.835 -12.967
  237    HA   ILE  33           HA       ILE  33   2.903   1.030 -11.798
  238    HB   ILE  33           HB       ILE  33   4.083   3.647 -12.549
  239   1HG1  ILE  33          2HG1      ILE  33   4.691   2.526 -10.454
  240   2HG1  ILE  33          1HG1      ILE  33   3.853   4.042 -10.137
  241   1HG2  ILE  33          1HG2      ILE  33   1.790   4.022 -13.189
  242   2HG2  ILE  33          2HG2      ILE  33   2.104   4.845 -11.660
  243   3HG2  ILE  33          3HG2      ILE  33   1.215   3.323 -11.675
  244   1HD1  ILE  33          1HD1      ILE  33   2.572   2.883  -8.751
  245   2HD1  ILE  33          2HD1      ILE  33   3.158   1.341  -9.376
  246   3HD1  ILE  33          3HD1      ILE  33   1.828   2.171 -10.182
  247    H    LEU  34           H        LEU  34   0.769   1.179 -12.358
  248    HA   LEU  34           HA       LEU  34   0.083   1.885 -15.110
  249   1HB   LEU  34          2HB       LEU  34  -0.431  -0.757 -13.775
  250   2HB   LEU  34          1HB       LEU  34  -1.441  -0.189 -15.092
  251    HG   LEU  34           HG       LEU  34   1.525  -0.743 -15.225
  252   1HD1  LEU  34          1HD1      LEU  34  -0.209  -2.653 -15.151
  253   2HD1  LEU  34          2HD1      LEU  34   1.019  -2.667 -16.416
  254   3HD1  LEU  34          3HD1      LEU  34  -0.620  -2.129 -16.784
  255   1HD2  LEU  34          1HD2      LEU  34   1.610   0.531 -17.040
  256   2HD2  LEU  34          2HD2      LEU  34  -0.086   0.968 -16.827
  257   3HD2  LEU  34          3HD2      LEU  34   0.346  -0.449 -17.786
  258    H    THR  35           H        THR  35  -1.268   0.708 -12.026
  259    HA   THR  35           HA       THR  35  -3.417   2.704 -12.326
  260    HB   THR  35           HB       THR  35  -4.748   1.098 -10.831
  261    HG1  THR  35           1HG      THR  35  -3.326  -0.361 -10.144
  262   1HG2  THR  35          1HG2      THR  35  -4.133  -0.197 -13.451
  263   2HG2  THR  35          2HG2      THR  35  -4.943   1.369 -13.398
  264   3HG2  THR  35          3HG2      THR  35  -5.676  -0.031 -12.612
  265    H    VAL  36           H        VAL  36  -3.533   4.204 -10.801
  266    HA   VAL  36           HA       VAL  36  -2.851   3.653  -8.061
  267    HB   VAL  36           HB       VAL  36  -0.618   4.087  -8.864
  268   1HG1  VAL  36          1HG1      VAL  36  -1.961   6.160 -10.419
  269   2HG1  VAL  36          2HG1      VAL  36  -0.452   5.301 -10.733
  270   3HG1  VAL  36          3HG1      VAL  36  -0.464   6.700  -9.659
  271   1HG2  VAL  36          1HG2      VAL  36  -0.006   5.980  -7.461
  272   2HG2  VAL  36          2HG2      VAL  36  -1.228   4.987  -6.666
  273   3HG2  VAL  36          3HG2      VAL  36  -1.686   6.512  -7.423
  274    H    SER  37           H        SER  37  -4.427   4.615  -6.953
  275    HA   SER  37           HA       SER  37  -4.952   7.376  -7.065
  276   1HB   SER  37          2HB       SER  37  -7.225   7.359  -8.046
  277   2HB   SER  37          1HB       SER  37  -5.993   6.895  -9.220
  278    HG   SER  37           HG       SER  37  -6.627   4.793  -9.057
  279    H    SER  38           H        SER  38  -7.672   7.393  -6.374
  280    HA   SER  38           HA       SER  38  -9.068   7.182  -4.613
  281   1HB   SER  38          2HB       SER  38  -9.180   4.821  -5.224
  282   2HB   SER  38          1HB       SER  38  -7.735   4.481  -4.273
  283    HG   SER  38           HG       SER  38  -9.905   4.100  -3.286
  284    H    PHE  39           H        PHE  39  -7.329   8.909  -3.944
  285    HA   PHE  39           HA       PHE  39  -5.639   8.215  -1.736
  286   1HB   PHE  39          2HB       PHE  39  -6.604  10.927  -2.677
  287   2HB   PHE  39          1HB       PHE  39  -5.360  10.665  -1.463
  288    HD1  PHE  39           1HD      PHE  39  -6.053   9.352  -4.903
  289    HD2  PHE  39           2HD      PHE  39  -3.254  11.101  -2.216
  290    HE1  PHE  39           1HE      PHE  39  -4.336   9.302  -6.664
  291    HE2  PHE  39           2HE      PHE  39  -1.533  11.054  -3.974
  292    HZ   PHE  39           HZ       PHE  39  -2.073  10.154  -6.201
  293    H    TYR  40           H        TYR  40  -6.805   7.284  -0.120
  294    HA   TYR  40           HA       TYR  40  -9.202   8.610   0.865
  295   1HB   TYR  40          2HB       TYR  40  -9.512   6.588   2.206
  296   2HB   TYR  40          1HB       TYR  40  -9.225   6.174   0.519
  297    HD1  TYR  40           1HD      TYR  40  -7.519   4.679  -0.047
  298    HD2  TYR  40           2HD      TYR  40  -7.499   6.505   3.793
  299    HE1  TYR  40           1HE      TYR  40  -5.640   3.243   0.624
  300    HE2  TYR  40           2HE      TYR  40  -5.626   5.077   4.473
  301    HH   TYR  40           HH       TYR  40  -4.408   3.253   3.926
  302    H    ARG  41           H        ARG  41  -9.489   8.512   3.288
  303    HA   ARG  41           HA       ARG  41  -7.095   9.575   4.643
  304   1HB   ARG  41          2HB       ARG  41  -8.830  11.288   4.289
  305   2HB   ARG  41          1HB       ARG  41 -10.010  10.262   5.096
  306   1HG   ARG  41          2HG       ARG  41  -8.755  10.441   7.178
  307   2HG   ARG  41          1HG       ARG  41  -7.551  11.448   6.373
  308   1HD   ARG  41          2HD       ARG  41  -9.281  13.119   5.897
  309   2HD   ARG  41          1HD       ARG  41 -10.476  12.112   6.715
  310    HE   ARG  41           HE       ARG  41  -9.762  13.023   8.668
  311   1HH1  ARG  41          1HH1      ARG  41  -7.133  13.195   6.382
  312   2HH1  ARG  41          2HH1      ARG  41  -6.066  14.006   7.480
  313   1HH2  ARG  41          1HH2      ARG  41  -8.363  14.088  10.113
  314   2HH2  ARG  41          2HH2      ARG  41  -6.765  14.514   9.597
  315    H    THR  42           H        THR  42  -6.618   8.764   6.684
  316    HA   THR  42           HA       THR  42  -8.501   7.056   8.054
  317    HB   THR  42           HB       THR  42  -7.477   5.589   6.308
  318    HG1  THR  42           1HG      THR  42  -6.447   4.456   8.559
  319   1HG2  THR  42          1HG2      THR  42  -5.290   5.186   6.081
  320   2HG2  THR  42          2HG2      THR  42  -4.978   5.319   7.813
  321   3HG2  THR  42          3HG2      THR  42  -5.121   6.775   6.827
  322    HA   PRO  43           HA       PRO  43  -6.095   8.488  11.486
  323   1HB   PRO  43          2HB       PRO  43  -6.887   6.790  13.408
  324   2HB   PRO  43          1HB       PRO  43  -7.994   7.982  12.714
  325   1HG   PRO  43          2HG       PRO  43  -7.734   5.060  12.108
  326   2HG   PRO  43          1HG       PRO  43  -9.202   6.029  12.333
  327   1HD   PRO  43          2HD       PRO  43  -8.194   5.355   9.881
  328   2HD   PRO  43          1HD       PRO  43  -9.161   6.813  10.178
  329    HA   PRO  44           HA       PRO  44  -2.534   5.754  11.314
  330   1HB   PRO  44          2HB       PRO  44  -1.110   7.700  12.922
  331   2HB   PRO  44          1HB       PRO  44  -0.904   7.321  11.210
  332   1HG   PRO  44          2HG       PRO  44  -1.908   9.690  12.101
  333   2HG   PRO  44          1HG       PRO  44  -2.344   8.975  10.539
  334   1HD   PRO  44          2HD       PRO  44  -3.847   8.921  13.134
  335   2HD   PRO  44          1HD       PRO  44  -4.459   9.208  11.489
  336    H    LEU  45           H        LEU  45  -2.925   4.026  12.611
  337    HA   LEU  45           HA       LEU  45  -2.666   4.403  15.517
  338   1HB   LEU  45          2HB       LEU  45  -4.132   2.371  13.866
  339   2HB   LEU  45          1HB       LEU  45  -3.699   2.026  15.529
  340    HG   LEU  45           HG       LEU  45  -5.000   4.020  16.244
  341   1HD1  LEU  45          1HD1      LEU  45  -4.794   5.014  13.836
  342   2HD1  LEU  45          2HD1      LEU  45  -6.222   5.335  14.819
  343   3HD1  LEU  45          3HD1      LEU  45  -6.279   4.105  13.555
  344   1HD2  LEU  45          1HD2      LEU  45  -7.135   2.984  16.058
  345   2HD2  LEU  45          2HD2      LEU  45  -5.930   1.700  16.169
  346   3HD2  LEU  45          3HD2      LEU  45  -6.646   2.105  14.609
  347    H    GLY  46           H        GLY  46  -0.273   4.504  14.725
  348   1HA   GLY  46          2HA       GLY  46   1.038   2.227  15.687
  349   2HA   GLY  46          1HA       GLY  46   1.031   2.128  13.932
  350    HA   PRO  47           HA       PRO  47   4.660   4.585  13.566
  351   1HB   PRO  47          2HB       PRO  47   3.142   6.386  11.742
  352   2HB   PRO  47          1HB       PRO  47   4.680   5.557  11.482
  353   1HG   PRO  47          2HG       PRO  47   2.456   4.672  10.323
  354   2HG   PRO  47          1HG       PRO  47   3.655   3.538  10.969
  355   1HD   PRO  47          2HD       PRO  47   1.017   4.358  12.102
  356   2HD   PRO  47          1HD       PRO  47   1.813   2.772  12.130
  357    H    GLN  48           H        GLN  48   1.666   6.511  13.718
  358    HA   GLN  48           HA       GLN  48   2.899   8.169  15.779
  359   1HB   GLN  48          2HB       GLN  48   1.882  10.169  14.697
  360   2HB   GLN  48          1HB       GLN  48   3.258   9.467  13.858
  361   1HG   GLN  48          2HG       GLN  48   1.801   8.412  12.267
  362   2HG   GLN  48          1HG       GLN  48   0.379   8.979  13.151
  363   1HE2  GLN  48          1HE2      GLN  48  -0.353  10.955  12.829
  364   2HE2  GLN  48          2HE2      GLN  48   0.379  12.112  11.796
  365    H    ASP  49           H        ASP  49   0.220   9.776  14.944
  366    HA   ASP  49           HA       ASP  49  -1.914   8.185  15.834
  367   1HB   ASP  49          2HB       ASP  49  -0.610   8.324  17.980
  368   2HB   ASP  49          1HB       ASP  49  -0.844  10.069  17.949
  369    H    GLN  50           H        GLN  50  -0.443  11.115  14.950
  370    HA   GLN  50           HA       GLN  50  -2.593  12.917  15.303
  371   1HB   GLN  50          2HB       GLN  50  -0.656  13.203  13.036
  372   2HB   GLN  50          1HB       GLN  50  -1.327  14.442  14.085
  373   1HG   GLN  50          2HG       GLN  50   0.841  12.466  14.726
  374   2HG   GLN  50          1HG       GLN  50   0.967  14.222  14.624
  375   1HE2  GLN  50          1HE2      GLN  50   0.756  11.672  16.680
  376   2HE2  GLN  50          2HE2      GLN  50   0.178  12.485  18.093
  377    HA   PRO  51           HA       PRO  51  -5.263  10.888  12.284
  378   1HB   PRO  51          2HB       PRO  51  -6.836  13.364  12.785
  379   2HB   PRO  51          1HB       PRO  51  -7.355  11.675  12.816
  380   1HG   PRO  51          2HG       PRO  51  -7.002  13.026  15.082
  381   2HG   PRO  51          1HG       PRO  51  -6.529  11.321  14.954
  382   1HD   PRO  51          2HD       PRO  51  -4.822  13.775  14.909
  383   2HD   PRO  51          1HD       PRO  51  -4.500  12.190  15.644
  384    H    ASP  52           H        ASP  52  -3.927  11.183  10.475
  385    HA   ASP  52           HA       ASP  52  -4.871  12.894   8.482
  386   1HB   ASP  52          2HB       ASP  52  -3.754  14.635   9.896
  387   2HB   ASP  52          1HB       ASP  52  -2.221  13.814   9.621
  388    H    TYR  53           H        TYR  53  -4.329  10.222   8.558
  389    HA   TYR  53           HA       TYR  53  -1.763   9.792   7.235
  390   1HB   TYR  53          2HB       TYR  53  -2.701   8.265   9.057
  391   2HB   TYR  53          1HB       TYR  53  -3.873   7.721   7.866
  392    HD1  TYR  53           1HD      TYR  53  -3.098   5.408   8.029
  393    HD2  TYR  53           2HD      TYR  53  -0.451   8.526   6.868
  394    HE1  TYR  53           1HE      TYR  53  -1.503   3.734   7.194
  395    HE2  TYR  53           2HE      TYR  53   1.154   6.861   6.035
  396    HH   TYR  53           HH       TYR  53   0.948   3.582   6.764
  397    H    LEU  54           H        LEU  54  -1.798  10.401   5.158
  398    HA   LEU  54           HA       LEU  54  -4.169   9.841   3.526
  399   1HB   LEU  54          2HB       LEU  54  -3.193  12.120   3.511
  400   2HB   LEU  54          1HB       LEU  54  -1.697  11.460   2.896
  401    HG   LEU  54           HG       LEU  54  -3.150  12.605   1.198
  402   1HD1  LEU  54          1HD1      LEU  54  -1.618  10.279   0.975
  403   2HD1  LEU  54          2HD1      LEU  54  -2.056  11.410  -0.306
  404   3HD1  LEU  54          3HD1      LEU  54  -3.065   9.998   0.005
  405   1HD2  LEU  54          1HD2      LEU  54  -5.085  11.464   0.339
  406   2HD2  LEU  54          2HD2      LEU  54  -5.302  11.764   2.063
  407   3HD2  LEU  54          3HD2      LEU  54  -4.870  10.151   1.497
  408    H    ASN  55           H        ASN  55  -4.210   8.164   2.137
  409    HA   ASN  55           HA       ASN  55  -1.661   7.169   1.098
  410   1HB   ASN  55          2HB       ASN  55  -3.651   5.198   2.175
  411   2HB   ASN  55          1HB       ASN  55  -1.957   4.948   1.788
  412   1HD2  ASN  55          1HD2      ASN  55  -3.932   4.933   4.255
  413   2HD2  ASN  55          2HD2      ASN  55  -2.933   5.571   5.505
  414    H    ALA  56           H        ALA  56  -2.029   5.423  -0.561
  415    HA   ALA  56           HA       ALA  56  -4.587   5.588  -1.944
  416   1HB   ALA  56          1HB       ALA  56  -2.313   7.107  -2.753
  417   2HB   ALA  56          2HB       ALA  56  -3.901   7.005  -3.509
  418   3HB   ALA  56          3HB       ALA  56  -2.632   5.870  -3.966
  419    H    ALA  57           H        ALA  57  -4.265   4.212  -4.122
  420    HA   ALA  57           HA       ALA  57  -3.017   1.692  -3.250
  421   1HB   ALA  57          1HB       ALA  57  -5.269   1.215  -3.495
  422   2HB   ALA  57          2HB       ALA  57  -4.611   0.735  -5.059
  423   3HB   ALA  57          3HB       ALA  57  -5.449   2.279  -4.890
  424    H    VAL  58           H        VAL  58  -1.630   0.598  -4.589
  425    HA   VAL  58           HA       VAL  58  -1.048   1.764  -7.207
  426    HB   VAL  58           HB       VAL  58   1.399   1.378  -6.746
  427   1HG1  VAL  58          1HG1      VAL  58   0.622   3.616  -6.778
  428   2HG1  VAL  58          2HG1      VAL  58   1.612   3.460  -5.324
  429   3HG1  VAL  58          3HG1      VAL  58  -0.147   3.447  -5.201
  430   1HG2  VAL  58          1HG2      VAL  58   0.761  -0.046  -4.650
  431   2HG2  VAL  58          2HG2      VAL  58   0.747   1.517  -3.833
  432   3HG2  VAL  58          3HG2      VAL  58   2.215   0.950  -4.630
  433    H    ALA  59           H        ALA  59  -1.483   0.218  -8.580
  434    HA   ALA  59           HA       ALA  59  -0.593  -2.519  -7.993
  435   1HB   ALA  59          1HB       ALA  59  -2.898  -2.757  -7.926
  436   2HB   ALA  59          2HB       ALA  59  -2.536  -3.131  -9.611
  437   3HB   ALA  59          3HB       ALA  59  -3.163  -1.541  -9.176
  438    H    LEU  60           H        LEU  60   1.305  -2.348  -9.053
  439    HA   LEU  60           HA       LEU  60   1.144  -1.758 -11.942
  440   1HB   LEU  60          2HB       LEU  60   3.250  -0.815 -11.912
  441   2HB   LEU  60          1HB       LEU  60   2.573  -0.276 -10.390
  442    HG   LEU  60           HG       LEU  60   4.463  -2.599 -10.712
  443   1HD1  LEU  60          1HD1      LEU  60   5.501  -0.415 -11.188
  444   2HD1  LEU  60          2HD1      LEU  60   6.139  -1.169  -9.728
  445   3HD1  LEU  60          3HD1      LEU  60   4.980   0.155  -9.602
  446   1HD2  LEU  60          1HD2      LEU  60   4.580  -2.581  -8.293
  447   2HD2  LEU  60          2HD2      LEU  60   2.913  -2.810  -8.817
  448   3HD2  LEU  60          3HD2      LEU  60   3.443  -1.235  -8.226
  449    H    GLU  61           H        GLU  61   2.708  -2.935 -13.305
  450    HA   GLU  61           HA       GLU  61   2.681  -5.739 -12.588
  451   1HB   GLU  61          2HB       GLU  61   3.679  -4.407 -15.108
  452   2HB   GLU  61          1HB       GLU  61   3.413  -6.130 -14.881
  453   1HG   GLU  61          2HG       GLU  61   1.016  -5.615 -14.456
  454   2HG   GLU  61          1HG       GLU  61   1.348  -3.954 -14.925
  455    H    THR  62           H        THR  62   4.244  -6.207 -11.113
  456    HA   THR  62           HA       THR  62   6.944  -5.253 -11.558
  457    HB   THR  62           HB       THR  62   7.417  -6.194  -9.351
  458    HG1  THR  62           1HG      THR  62   6.034  -7.455  -8.319
  459   1HG2  THR  62          1HG2      THR  62   5.112  -5.048  -8.287
  460   2HG2  THR  62          2HG2      THR  62   5.428  -4.168  -9.782
  461   3HG2  THR  62          3HG2      THR  62   6.678  -4.278  -8.541
  462    H    SER  63           H        SER  63   8.599  -7.013 -10.889
  463    HA   SER  63           HA       SER  63   7.972  -9.613 -12.084
  464   1HB   SER  63          2HB       SER  63  10.306  -7.857 -12.891
  465   2HB   SER  63          1HB       SER  63  10.129  -9.551 -13.347
  466    HG   SER  63           HG       SER  63   7.947  -8.692 -14.147
  467    H    LEU  64           H        LEU  64   9.441  -7.582  -9.905
  468    HA   LEU  64           HA       LEU  64  11.127  -9.646  -8.710
  469   1HB   LEU  64          2HB       LEU  64  11.884  -7.626  -7.326
  470   2HB   LEU  64          1HB       LEU  64  12.369  -7.682  -9.010
  471    HG   LEU  64           HG       LEU  64   9.845  -6.230  -8.427
  472   1HD1  LEU  64          1HD1      LEU  64  12.191  -4.530  -8.104
  473   2HD1  LEU  64          2HD1      LEU  64  12.033  -5.718  -6.809
  474   3HD1  LEU  64          3HD1      LEU  64  10.709  -4.605  -7.151
  475   1HD2  LEU  64          1HD2      LEU  64  12.241  -5.589 -10.149
  476   2HD2  LEU  64          2HD2      LEU  64  10.668  -4.793 -10.180
  477   3HD2  LEU  64          3HD2      LEU  64  10.817  -6.475 -10.691
  478    H    ALA  65           H        ALA  65   9.801 -10.862  -7.452
  479    HA   ALA  65           HA       ALA  65   7.448 -10.392  -6.285
  480   1HB   ALA  65          1HB       ALA  65   9.539 -11.672  -4.573
  481   2HB   ALA  65          2HB       ALA  65   9.035 -12.433  -6.082
  482   3HB   ALA  65          3HB       ALA  65   7.852 -12.129  -4.810
  483    HA   PRO  66           HA       PRO  66   7.159  -6.924  -3.583
  484   1HB   PRO  66          2HB       PRO  66   6.415  -9.127  -1.678
  485   2HB   PRO  66          1HB       PRO  66   5.714  -7.510  -1.839
  486   1HG   PRO  66          2HG       PRO  66   4.548  -9.599  -3.001
  487   2HG   PRO  66          1HG       PRO  66   4.630  -8.030  -3.810
  488   1HD   PRO  66          2HD       PRO  66   6.054 -10.532  -4.438
  489   2HD   PRO  66          1HD       PRO  66   5.732  -9.130  -5.477
  490    H    GLU  67           H        GLU  67   8.998  -9.759  -2.613
  491    HA   GLU  67           HA       GLU  67  10.211  -8.738  -0.315
  492   1HB   GLU  67          2HB       GLU  67  11.458 -10.569  -2.379
  493   2HB   GLU  67          1HB       GLU  67  11.933 -10.414  -0.691
  494   1HG   GLU  67          2HG       GLU  67   9.819 -11.324   0.030
  495   2HG   GLU  67          1HG       GLU  67   9.245 -11.390  -1.640
  496    H    GLU  68           H        GLU  68  11.322  -8.707  -3.687
  497    HA   GLU  68           HA       GLU  68  13.536  -6.968  -3.218
  498   1HB   GLU  68          2HB       GLU  68  12.108  -7.624  -5.804
  499   2HB   GLU  68          1HB       GLU  68  13.699  -6.891  -5.666
  500   1HG   GLU  68          2HG       GLU  68  12.931  -9.661  -4.781
  501   2HG   GLU  68          1HG       GLU  68  13.868  -9.242  -6.214
  502    H    LEU  69           H        LEU  69  10.393  -6.554  -4.808
  503    HA   LEU  69           HA       LEU  69  10.464  -3.888  -5.448
  504   1HB   LEU  69          2HB       LEU  69   8.568  -4.814  -6.238
  505   2HB   LEU  69          1HB       LEU  69   8.383  -5.880  -4.869
  506    HG   LEU  69           HG       LEU  69   7.615  -3.763  -3.592
  507   1HD1  LEU  69          1HD1      LEU  69   6.625  -2.695  -6.140
  508   2HD1  LEU  69          2HD1      LEU  69   8.351  -2.476  -5.851
  509   3HD1  LEU  69          3HD1      LEU  69   7.176  -1.859  -4.688
  510   1HD2  LEU  69          1HD2      LEU  69   5.606  -4.431  -5.656
  511   2HD2  LEU  69          2HD2      LEU  69   5.475  -4.445  -3.897
  512   3HD2  LEU  69          3HD2      LEU  69   6.272  -5.778  -4.732
  513    H    LEU  70           H        LEU  70   9.219  -5.262  -2.417
  514    HA   LEU  70           HA       LEU  70   8.553  -2.994  -1.040
  515   1HB   LEU  70          2HB       LEU  70   8.280  -5.372  -0.291
  516   2HB   LEU  70          1HB       LEU  70   9.974  -5.375   0.145
  517    HG   LEU  70           HG       LEU  70   9.324  -3.340   1.645
  518   1HD1  LEU  70          1HD1      LEU  70   7.123  -3.081   2.242
  519   2HD1  LEU  70          2HD1      LEU  70   6.683  -4.714   1.737
  520   3HD1  LEU  70          3HD1      LEU  70   6.964  -3.462   0.526
  521   1HD2  LEU  70          1HD2      LEU  70   8.830  -4.851   3.478
  522   2HD2  LEU  70          2HD2      LEU  70  10.094  -5.526   2.450
  523   3HD2  LEU  70          3HD2      LEU  70   8.443  -6.136   2.335
  524    H    ASN  71           H        ASN  71  11.747  -4.512  -1.318
  525    HA   ASN  71           HA       ASN  71  13.146  -2.866   0.430
  526   1HB   ASN  71          2HB       ASN  71  13.991  -4.393  -2.012
  527   2HB   ASN  71          1HB       ASN  71  15.146  -3.412  -1.113
  528   1HD2  ASN  71          1HD2      ASN  71  14.039  -6.447  -1.470
  529   2HD2  ASN  71          2HD2      ASN  71  14.384  -7.081   0.098
  530    H    HIS  72           H        HIS  72  12.493  -2.322  -3.042
  531    HA   HIS  72           HA       HIS  72  14.037   0.063  -3.140
  532   1HB   HIS  72          2HB       HIS  72  11.946  -1.064  -5.006
  533   2HB   HIS  72          1HB       HIS  72  12.886   0.384  -5.351
  534    HD1  HIS  72           1HD      HIS  72  15.598  -0.060  -5.335
  535    HD2  HIS  72           2HD      HIS  72  13.128  -3.361  -5.828
  536    HE1  HIS  72           1HE      HIS  72  17.067  -1.860  -6.297
  537    HE2  HIS  72           2HE      HIS  72  15.531  -3.825  -6.661
  538    H    THR  73           H        THR  73  10.556  -0.583  -2.814
  539    HA   THR  73           HA       THR  73   9.707   2.092  -2.925
  540    HB   THR  73           HB       THR  73   7.722   1.268  -1.626
  541    HG1  THR  73           1HG      THR  73   8.242  -1.330  -1.774
  542   1HG2  THR  73          1HG2      THR  73   8.402  -0.691  -3.789
  543   2HG2  THR  73          2HG2      THR  73   7.960   0.982  -4.131
  544   3HG2  THR  73          3HG2      THR  73   6.818  -0.082  -3.309
  545    H    GLN  74           H        GLN  74  10.621   0.069  -0.171
  546    HA   GLN  74           HA       GLN  74  10.332   2.138   1.760
  547   1HB   GLN  74          2HB       GLN  74  11.184   0.571   3.336
  548   2HB   GLN  74          1HB       GLN  74  10.184  -0.348   2.219
  549   1HG   GLN  74          2HG       GLN  74  12.179  -1.098   1.036
  550   2HG   GLN  74          1HG       GLN  74  13.187  -0.168   2.145
  551   1HE2  GLN  74          1HE2      GLN  74  14.113  -1.366   3.626
  552   2HE2  GLN  74          2HE2      GLN  74  13.451  -2.782   4.363
  553    H    ARG  75           H        ARG  75  12.741   1.134  -0.454
  554    HA   ARG  75           HA       ARG  75  15.095   1.985   0.785
  555   1HB   ARG  75          2HB       ARG  75  14.950   0.734  -1.377
  556   2HB   ARG  75          1HB       ARG  75  14.390   2.206  -2.152
  557   1HG   ARG  75          2HG       ARG  75  16.517   3.292  -1.590
  558   2HG   ARG  75          1HG       ARG  75  17.076   1.782  -0.865
  559   1HD   ARG  75          2HD       ARG  75  17.955   1.932  -3.098
  560   2HD   ARG  75          1HD       ARG  75  16.727   0.661  -3.058
  561    HE   ARG  75           HE       ARG  75  15.491   3.046  -3.826
  562   1HH1  ARG  75          1HH1      ARG  75  17.850   0.786  -5.040
  563   2HH1  ARG  75          2HH1      ARG  75  17.476   1.095  -6.704
  564   1HH2  ARG  75          1HH2      ARG  75  14.994   3.458  -6.010
  565   2HH2  ARG  75          2HH2      ARG  75  15.854   2.614  -7.254
  566    H    ILE  76           H        ILE  76  12.625   3.695  -1.005
  567    HA   ILE  76           HA       ILE  76  13.968   6.213  -0.972
  568    HB   ILE  76           HB       ILE  76  11.014   5.878  -1.355
  569   1HG1  ILE  76          2HG1      ILE  76  12.109   4.137  -2.714
  570   2HG1  ILE  76          1HG1      ILE  76  11.436   5.408  -3.735
  571   1HG2  ILE  76          1HG2      ILE  76  11.581   7.691  -3.098
  572   2HG2  ILE  76          2HG2      ILE  76  13.106   7.833  -2.223
  573   3HG2  ILE  76          3HG2      ILE  76  11.581   8.129  -1.391
  574   1HD1  ILE  76          1HD1      ILE  76  14.333   5.147  -2.953
  575   2HD1  ILE  76          2HD1      ILE  76  13.645   6.370  -4.024
  576   3HD1  ILE  76          3HD1      ILE  76  13.634   4.672  -4.499
  577    H    GLU  77           H        GLU  77  10.889   5.209   0.589
  578    HA   GLU  77           HA       GLU  77  10.711   7.408   2.258
  579   1HB   GLU  77          2HB       GLU  77   9.373   5.841   3.800
  580   2HB   GLU  77          1HB       GLU  77   8.753   6.202   2.209
  581   1HG   GLU  77          2HG       GLU  77   8.398   3.956   2.328
  582   2HG   GLU  77          1HG       GLU  77   9.994   3.954   1.595
  583    H    LEU  78           H        LEU  78  12.904   4.797   2.492
  584    HA   LEU  78           HA       LEU  78  13.400   5.022   5.305
  585   1HB   LEU  78          2HB       LEU  78  13.942   2.979   4.042
  586   2HB   LEU  78          1HB       LEU  78  15.134   3.869   3.115
  587    HG   LEU  78           HG       LEU  78  16.402   4.275   5.220
  588   1HD1  LEU  78          1HD1      LEU  78  15.855   2.893   7.181
  589   2HD1  LEU  78          2HD1      LEU  78  14.363   2.388   6.386
  590   3HD1  LEU  78          3HD1      LEU  78  14.602   4.080   6.820
  591   1HD2  LEU  78          1HD2      LEU  78  17.223   1.949   5.443
  592   2HD2  LEU  78          2HD2      LEU  78  17.079   2.480   3.766
  593   3HD2  LEU  78          3HD2      LEU  78  15.861   1.408   4.461
  594    H    GLN  79           H        GLN  79  14.876   6.314   2.358
  595    HA   GLN  79           HA       GLN  79  16.412   8.185   4.047
  596   1HB   GLN  79          2HB       GLN  79  18.109   8.225   2.247
  597   2HB   GLN  79          1HB       GLN  79  17.916   6.630   2.963
  598   1HG   GLN  79          2HG       GLN  79  16.507   5.966   1.063
  599   2HG   GLN  79          1HG       GLN  79  16.756   7.557   0.343
  600   1HE2  GLN  79          1HE2      GLN  79  17.713   4.462   0.195
  601   2HE2  GLN  79          2HE2      GLN  79  19.309   4.659  -0.435
  602    H    GLN  80           H        GLN  80  13.700   8.506   2.863
  603    HA   GLN  80           HA       GLN  80  14.285  10.889   1.234
  604   1HB   GLN  80          2HB       GLN  80  13.304   9.085  -0.148
  605   2HB   GLN  80          1HB       GLN  80  11.893   9.075   0.901
  606   1HG   GLN  80          2HG       GLN  80  11.421  10.316  -1.107
  607   2HG   GLN  80          1HG       GLN  80  11.430  11.402   0.281
  608   1HE2  GLN  80          1HE2      GLN  80  12.357  13.265  -0.119
  609   2HE2  GLN  80          2HE2      GLN  80  13.685  13.543  -1.188
  610    H    GLY  81           H        GLY  81  11.938   9.352   3.420
  611   1HA   GLY  81          2HA       GLY  81  10.314  11.603   3.826
  612   2HA   GLY  81          1HA       GLY  81  10.468  10.250   4.932
  613    H    ARG  82           H        ARG  82  13.526  11.265   4.713
  614    HA   ARG  82           HA       ARG  82  13.752  13.713   5.957
  615   1HB   ARG  82          2HB       ARG  82  12.444  12.033   7.701
  616   2HB   ARG  82          1HB       ARG  82  14.116  11.877   8.223
  617   1HG   ARG  82          2HG       ARG  82  12.582  14.457   7.964
  618   2HG   ARG  82          1HG       ARG  82  12.950  13.613   9.469
  619   1HD   ARG  82          2HD       ARG  82  15.325  13.942   9.102
  620   2HD   ARG  82          1HD       ARG  82  15.000  14.711   7.548
  621    HE   ARG  82           HE       ARG  82  14.978  15.968  10.066
  622   1HH1  ARG  82          1HH1      ARG  82  13.184  15.881   7.074
  623   2HH1  ARG  82          2HH1      ARG  82  12.588  17.499   7.237
  624   1HH2  ARG  82          1HH2      ARG  82  14.195  18.098  10.282
  625   2HH2  ARG  82          2HH2      ARG  82  13.163  18.759   9.059
  626    H    VAL  83           H        VAL  83  15.592  12.385   8.114
  627    HA   VAL  83           HA       VAL  83  17.615  11.017   6.658
  628    HB   VAL  83           HB       VAL  83  17.883  13.360   5.787
  629   1HG1  VAL  83          1HG1      VAL  83  17.289  14.606   7.764
  630   2HG1  VAL  83          2HG1      VAL  83  18.932  15.022   7.272
  631   3HG1  VAL  83          3HG1      VAL  83  18.669  13.938   8.637
  632   1HG2  VAL  83          1HG2      VAL  83  20.079  11.944   7.243
  633   2HG2  VAL  83          2HG2      VAL  83  20.395  13.454   6.389
  634   3HG2  VAL  83          3HG2      VAL  83  19.779  12.055   5.508
  635    H    ARG  84           H        ARG  84  16.018  11.200   9.242
  636    HA   ARG  84           HA       ARG  84  18.142  11.403  11.228
  637   1HB   ARG  84          2HB       ARG  84  15.225  10.751  11.667
  638   2HB   ARG  84          1HB       ARG  84  16.392  11.276  12.874
  639   1HG   ARG  84          2HG       ARG  84  16.578  13.441  11.662
  640   2HG   ARG  84          1HG       ARG  84  15.275  12.901  10.601
  641   1HD   ARG  84          2HD       ARG  84  14.333  14.286  12.316
  642   2HD   ARG  84          1HD       ARG  84  13.835  12.619  12.605
  643    HE   ARG  84           HE       ARG  84  14.852  12.764  14.630
  644   1HH1  ARG  84          1HH1      ARG  84  16.378  15.059  12.490
  645   2HH1  ARG  84          2HH1      ARG  84  17.452  15.669  13.704
  646   1HH2  ARG  84          1HH2      ARG  84  16.261  13.569  16.231
  647   2HH2  ARG  84          2HH2      ARG  84  17.386  14.822  15.828
  648    H    LYS  85           H        LYS  85  18.108   9.255   9.233
  649    HA   LYS  85           HA       LYS  85  18.469   7.018   9.076
  650   1HB   LYS  85          2HB       LYS  85  20.127   7.533  10.850
  651   2HB   LYS  85          1HB       LYS  85  18.899   7.210  12.066
  652   1HG   LYS  85          2HG       LYS  85  20.387   5.315  11.823
  653   2HG   LYS  85          1HG       LYS  85  18.756   4.889  11.303
  654   1HD   LYS  85          2HD       LYS  85  19.405   5.164   8.974
  655   2HD   LYS  85          1HD       LYS  85  21.022   5.671   9.467
  656   1HE   LYS  85          2HE       LYS  85  19.781   2.973   9.997
  657   2HE   LYS  85          1HE       LYS  85  20.979   3.326   8.753
  658   1HZ   LYS  85          1HZ       LYS  85  22.529   3.974  10.511
  659   2HZ   LYS  85          2HZ       LYS  85  22.027   2.369  10.689
  660   3HZ   LYS  85          3HZ       LYS  85  21.380   3.572  11.686
  661    H    ALA  86           H        ALA  86  16.311   6.622   8.478
  662    HA   ALA  86           HA       ALA  86  14.348   5.477   8.559
  663   1HB   ALA  86          1HB       ALA  86  15.578   3.653   9.541
  664   2HB   ALA  86          2HB       ALA  86  14.021   3.803  10.356
  665   3HB   ALA  86          3HB       ALA  86  15.484   4.399  11.137
  666    H    GLU  87           H        GLU  87  13.612   7.767   8.843
  667    HA   GLU  87           HA       GLU  87  12.953   9.113  11.076
  668   1HB   GLU  87          2HB       GLU  87  10.660   9.559   9.730
  669   2HB   GLU  87          1HB       GLU  87  12.187  10.318   9.318
  670   1HG   GLU  87          2HG       GLU  87  11.328   7.737   8.066
  671   2HG   GLU  87          1HG       GLU  87  10.806   9.301   7.437
  672    H    ARG  88           H        ARG  88  11.767   8.864  12.825
  673    HA   ARG  88           HA       ARG  88   9.462   7.078  12.807
  674   1HB   ARG  88          2HB       ARG  88  11.344   5.654  13.490
  675   2HB   ARG  88          1HB       ARG  88  11.740   6.786  14.775
  676   1HG   ARG  88          2HG       ARG  88   9.620   6.323  15.867
  677   2HG   ARG  88          1HG       ARG  88   9.168   5.231  14.556
  678   1HD   ARG  88          2HD       ARG  88  11.536   4.883  16.394
  679   2HD   ARG  88          1HD       ARG  88  10.001   4.024  16.527
  680    HE   ARG  88           HE       ARG  88  11.043   3.636  13.949
  681   1HH1  ARG  88          1HH1      ARG  88  11.682   2.753  17.261
  682   2HH1  ARG  88          2HH1      ARG  88  12.460   1.263  16.848
  683   1HH2  ARG  88          1HH2      ARG  88  12.064   1.674  13.398
  684   2HH2  ARG  88          2HH2      ARG  88  12.677   0.649  14.652
  685    H    TRP  89           H        TRP  89  11.310   9.651  14.219
  686    HA   TRP  89           HA       TRP  89   9.778  10.188  16.501
  687   1HB   TRP  89          2HB       TRP  89  11.329  12.086  14.726
  688   2HB   TRP  89          1HB       TRP  89  10.688  12.505  16.310
  689    HD1  TRP  89           HD       TRP  89  12.740   9.382  15.216
  690    HE1  TRP  89           1HE      TRP  89  14.773   9.194  16.783
  691    HE3  TRP  89           3HE      TRP  89  11.996  13.591  18.024
  692    HZ2  TRP  89           2HZ      TRP  89  15.913  10.637  18.922
  693    HZ3  TRP  89           3HZ      TRP  89  13.606  14.115  19.810
  694    HH2  TRP  89           HH       TRP  89  15.524  12.666  20.249
  695    H    GLY  90           H        GLY  90   7.602  10.281  16.367
  696   1HA   GLY  90          2HA       GLY  90   5.521  11.115  15.866
  697   2HA   GLY  90          1HA       GLY  90   6.340  12.547  15.256
  698    HA   PRO  91           HA       PRO  91   4.563  10.999  11.419
  699   1HB   PRO  91          2HB       PRO  91   5.070  13.184   9.918
  700   2HB   PRO  91          1HB       PRO  91   3.762  13.142  11.110
  701   1HG   PRO  91          2HG       PRO  91   6.512  14.308  11.359
  702   2HG   PRO  91          1HG       PRO  91   4.956  15.003  11.851
  703   1HD   PRO  91          2HD       PRO  91   6.640  13.783  13.598
  704   2HD   PRO  91          1HD       PRO  91   4.875  13.766  13.792
  705    H    ARG  92           H        ARG  92   5.895  12.171   9.032
  706    HA   ARG  92           HA       ARG  92   7.522  11.581   7.547
  707   1HB   ARG  92          2HB       ARG  92   9.263  11.475  10.023
  708   2HB   ARG  92          1HB       ARG  92   9.836  11.583   8.364
  709   1HG   ARG  92          2HG       ARG  92   8.167  13.668   9.756
  710   2HG   ARG  92          1HG       ARG  92   9.918  13.735   9.546
  711   1HD   ARG  92          2HD       ARG  92   9.692  13.836   7.164
  712   2HD   ARG  92          1HD       ARG  92   7.958  13.537   7.267
  713    HE   ARG  92           HE       ARG  92   7.692  15.778   7.515
  714   1HH1  ARG  92          1HH1      ARG  92  10.867  14.949   8.701
  715   2HH1  ARG  92          2HH1      ARG  92  11.284  16.583   9.090
  716   1HH2  ARG  92          1HH2      ARG  92   8.237  17.926   8.022
  717   2HH2  ARG  92          2HH2      ARG  92   9.790  18.275   8.706
  718    H    THR  93           H        THR  93   6.630   9.610   6.942
  719    HA   THR  93           HA       THR  93   8.174   7.311   7.249
  720    HB   THR  93           HB       THR  93   5.693   7.418   8.980
  721    HG1  THR  93           1HG      THR  93   8.251   6.469   9.678
  722   1HG2  THR  93          1HG2      THR  93   7.160   5.016   7.970
  723   2HG2  THR  93          2HG2      THR  93   5.423   5.321   8.023
  724   3HG2  THR  93          3HG2      THR  93   6.308   5.001   9.514
  725    H    LEU  94           H        LEU  94   7.262   5.475   6.142
  726    HA   LEU  94           HA       LEU  94   4.824   5.878   4.608
  727   1HB   LEU  94          2HB       LEU  94   6.819   6.920   3.400
  728   2HB   LEU  94          1HB       LEU  94   7.439   5.298   3.229
  729    HG   LEU  94           HG       LEU  94   4.814   6.238   2.075
  730   1HD1  LEU  94          1HD1      LEU  94   6.598   7.445   1.024
  731   2HD1  LEU  94          2HD1      LEU  94   6.049   6.182  -0.079
  732   3HD1  LEU  94          3HD1      LEU  94   7.546   5.970   0.832
  733   1HD2  LEU  94          1HD2      LEU  94   6.275   3.656   2.110
  734   2HD2  LEU  94          2HD2      LEU  94   5.495   4.128   0.599
  735   3HD2  LEU  94          3HD2      LEU  94   4.540   3.977   2.075
  736    H    ASP  95           H        ASP  95   3.989   3.861   3.829
  737    HA   ASP  95           HA       ASP  95   5.531   1.462   4.355
  738   1HB   ASP  95          2HB       ASP  95   4.498   1.980   6.538
  739   2HB   ASP  95          1HB       ASP  95   2.909   1.967   5.779
  740    H    LEU  96           H        LEU  96   5.251   0.203   2.688
  741    HA   LEU  96           HA       LEU  96   2.581   0.031   1.477
  742   1HB   LEU  96          2HB       LEU  96   3.481   0.063  -0.740
  743   2HB   LEU  96          1HB       LEU  96   4.024   1.489   0.112
  744    HG   LEU  96           HG       LEU  96   5.885   0.842  -1.087
  745   1HD1  LEU  96          1HD1      LEU  96   6.342  -0.577   1.517
  746   2HD1  LEU  96          2HD1      LEU  96   6.396   1.172   1.306
  747   3HD1  LEU  96          3HD1      LEU  96   7.555   0.148   0.461
  748   1HD2  LEU  96          1HD2      LEU  96   6.391  -1.223  -1.825
  749   2HD2  LEU  96          2HD2      LEU  96   4.708  -1.545  -1.404
  750   3HD2  LEU  96          3HD2      LEU  96   5.998  -1.989  -0.286
  751    H    ASP  97           H        ASP  97   1.907  -1.974   0.875
  752    HA   ASP  97           HA       ASP  97   3.790  -4.202   0.844
  753   1HB   ASP  97          2HB       ASP  97   3.088  -4.024   3.204
  754   2HB   ASP  97          1HB       ASP  97   1.402  -4.126   2.709
  755    H    ILE  98           H        ILE  98   3.108  -5.938  -0.376
  756    HA   ILE  98           HA       ILE  98   0.868  -5.376  -2.129
  757    HB   ILE  98           HB       ILE  98   3.298  -6.966  -2.298
  758   1HG1  ILE  98          2HG1      ILE  98   1.468  -5.787  -4.378
  759   2HG1  ILE  98          1HG1      ILE  98   2.840  -4.972  -3.634
  760   1HG2  ILE  98          1HG2      ILE  98   0.727  -8.132  -3.320
  761   2HG2  ILE  98          2HG2      ILE  98   1.949  -8.903  -2.309
  762   3HG2  ILE  98          3HG2      ILE  98   2.299  -8.549  -4.001
  763   1HD1  ILE  98          1HD1      ILE  98   2.968  -7.434  -5.355
  764   2HD1  ILE  98          2HD1      ILE  98   4.345  -6.619  -4.610
  765   3HD1  ILE  98          3HD1      ILE  98   3.392  -5.795  -5.844
  766    H    MET  99           H        MET  99  -1.019  -6.342  -2.132
  767    HA   MET  99           HA       MET  99  -1.473  -8.525  -0.230
  768   1HB   MET  99          2HB       MET  99  -3.942  -7.920  -0.660
  769   2HB   MET  99          1HB       MET  99  -2.975  -6.838   0.329
  770   1HG   MET  99          2HG       MET  99  -3.411  -6.403  -2.606
  771   2HG   MET  99          1HG       MET  99  -4.496  -5.768  -1.371
  772   1HE   MET  99          1HE       MET  99  -2.869  -3.353   0.580
  773   2HE   MET  99          2HE       MET  99  -1.615  -4.556   0.884
  774   3HE   MET  99          3HE       MET  99  -3.308  -5.047   0.798
  775    H    LEU 100           H        LEU 100  -1.092  -7.915  -3.515
  776    HA   LEU 100           HA       LEU 100  -2.015 -10.615  -4.156
  777   1HB   LEU 100          2HB       LEU 100  -2.988  -8.127  -5.537
  778   2HB   LEU 100          1HB       LEU 100  -2.945  -9.667  -6.363
  779    HG   LEU 100           HG       LEU 100  -4.396 -10.516  -4.396
  780   1HD1  LEU 100          1HD1      LEU 100  -5.795  -8.109  -4.025
  781   2HD1  LEU 100          2HD1      LEU 100  -4.098  -7.765  -3.682
  782   3HD1  LEU 100          3HD1      LEU 100  -4.930  -9.060  -2.818
  783   1HD2  LEU 100          1HD2      LEU 100  -6.359 -10.024  -5.615
  784   2HD2  LEU 100          2HD2      LEU 100  -5.056 -10.118  -6.799
  785   3HD2  LEU 100          3HD2      LEU 100  -5.662  -8.545  -6.280
  786    H    PHE 101           H        PHE 101  -0.907 -11.572  -5.924
  787    HA   PHE 101           HA       PHE 101   1.173  -9.911  -7.174
  788   1HB   PHE 101          2HB       PHE 101   2.195 -11.121  -5.265
  789   2HB   PHE 101          1HB       PHE 101   1.690 -12.646  -5.985
  790    HD1  PHE 101           1HD      PHE 101   3.503 -13.797  -6.799
  791    HD2  PHE 101           2HD      PHE 101   3.331  -9.578  -7.334
  792    HE1  PHE 101           1HE      PHE 101   5.601 -13.879  -8.082
  793    HE2  PHE 101           2HE      PHE 101   5.428  -9.652  -8.619
  794    HZ   PHE 101           HZ       PHE 101   6.566 -11.822  -8.993
  795    H    GLY 102           H        GLY 102  -0.638 -10.134  -8.771
  796   1HA   GLY 102          2HA       GLY 102  -1.166 -10.803 -10.906
  797   2HA   GLY 102          1HA       GLY 102   0.114 -12.004 -10.792
  798    H    ASN 103           H        ASN 103  -2.591 -11.666  -8.565
  799    HA   ASN 103           HA       ASN 103  -4.158 -13.167  -7.873
  800   1HB   ASN 103          2HB       ASN 103  -4.247 -13.611 -10.861
  801   2HB   ASN 103          1HB       ASN 103  -5.376 -14.373  -9.746
  802   1HD2  ASN 103          1HD2      ASN 103  -7.193 -13.347  -9.416
  803   2HD2  ASN 103          2HD2      ASN 103  -7.465 -11.655  -9.623
  804    H    GLU 104           H        GLU 104  -1.330 -13.878  -8.181
  805    HA   GLU 104           HA       GLU 104  -1.284 -16.721  -8.695
  806   1HB   GLU 104          2HB       GLU 104   0.644 -14.527  -8.232
  807   2HB   GLU 104          1HB       GLU 104   1.166 -16.112  -7.742
  808   1HG   GLU 104          2HG       GLU 104   0.158 -15.432 -10.483
  809   2HG   GLU 104          1HG       GLU 104   1.856 -15.460 -10.029
  810    H    VAL 105           H        VAL 105  -1.463 -18.254  -7.143
  811    HA   VAL 105           HA       VAL 105  -1.965 -17.431  -4.435
  812    HB   VAL 105           HB       VAL 105  -1.654 -20.238  -5.533
  813   1HG1  VAL 105          1HG1      VAL 105  -2.375 -21.073  -3.527
  814   2HG1  VAL 105          2HG1      VAL 105  -3.225 -19.591  -3.089
  815   3HG1  VAL 105          3HG1      VAL 105  -1.466 -19.666  -2.972
  816   1HG2  VAL 105          1HG2      VAL 105  -3.478 -19.220  -6.672
  817   2HG2  VAL 105          2HG2      VAL 105  -4.084 -18.492  -5.185
  818   3HG2  VAL 105          3HG2      VAL 105  -4.170 -20.239  -5.410
  819    H    ILE 106           H        ILE 106  -0.035 -16.451  -3.896
  820    HA   ILE 106           HA       ILE 106   2.155 -18.309  -3.301
  821    HB   ILE 106           HB       ILE 106   2.739 -17.061  -5.281
  822   1HG1  ILE 106          2HG1      ILE 106   4.217 -15.910  -2.909
  823   2HG1  ILE 106          1HG1      ILE 106   4.546 -17.474  -3.655
  824   1HG2  ILE 106          1HG2      ILE 106   2.361 -14.522  -3.717
  825   2HG2  ILE 106          2HG2      ILE 106   1.172 -15.179  -4.842
  826   3HG2  ILE 106          3HG2      ILE 106   2.763 -14.689  -5.425
  827   1HD1  ILE 106          1HD1      ILE 106   4.554 -15.624  -5.743
  828   2HD1  ILE 106          2HD1      ILE 106   5.944 -16.454  -5.029
  829   3HD1  ILE 106          3HD1      ILE 106   5.453 -14.870  -4.422
  830    H    ASN 107           H        ASN 107   2.129 -18.473  -1.167
  831    HA   ASN 107           HA       ASN 107   1.880 -15.996   0.411
  832   1HB   ASN 107          2HB       ASN 107   1.202 -18.736   1.448
  833   2HB   ASN 107          1HB       ASN 107   0.700 -17.167   2.074
  834   1HD2  ASN 107          1HD2      ASN 107  -1.165 -16.346   1.419
  835   2HD2  ASN 107          2HD2      ASN 107  -2.164 -16.998   0.174
  836    H    THR 108           H        THR 108   3.378 -15.528   1.887
  837    HA   THR 108           HA       THR 108   5.220 -17.538   2.871
  838    HB   THR 108           HB       THR 108   7.215 -16.150   2.290
  839    HG1  THR 108           1HG      THR 108   5.245 -14.662   0.965
  840   1HG2  THR 108          1HG2      THR 108   6.959 -17.994   0.874
  841   2HG2  THR 108          2HG2      THR 108   7.201 -16.613  -0.196
  842   3HG2  THR 108          3HG2      THR 108   5.582 -17.272   0.043
  843    H    GLU 109           H        GLU 109   5.366 -13.983   2.710
  844    HA   GLU 109           HA       GLU 109   4.239 -13.405   5.175
  845   1HB   GLU 109          2HB       GLU 109   6.192 -13.027   6.606
  846   2HB   GLU 109          1HB       GLU 109   6.072 -14.720   6.148
  847   1HG   GLU 109          2HG       GLU 109   7.791 -14.388   4.450
  848   2HG   GLU 109          1HG       GLU 109   7.906 -12.687   4.898
  849    H    ARG 110           H        ARG 110   6.518 -12.622   2.674
  850    HA   ARG 110           HA       ARG 110   6.368  -9.773   3.329
  851   1HB   ARG 110          2HB       ARG 110   8.537 -11.029   2.591
  852   2HB   ARG 110          1HB       ARG 110   7.871 -10.868   0.972
  853   1HG   ARG 110          2HG       ARG 110   9.373  -9.063   1.329
  854   2HG   ARG 110          1HG       ARG 110   7.732  -8.409   1.368
  855   1HD   ARG 110          2HD       ARG 110   9.092  -7.468   3.162
  856   2HD   ARG 110          1HD       ARG 110   7.770  -8.438   3.809
  857    HE   ARG 110           HE       ARG 110   9.343  -9.719   4.830
  858   1HH1  ARG 110          1HH1      ARG 110  10.808  -8.259   2.022
  859   2HH1  ARG 110          2HH1      ARG 110  12.365  -8.960   2.314
  860   1HH2  ARG 110          1HH2      ARG 110  11.388 -10.644   5.216
  861   2HH2  ARG 110          2HH2      ARG 110  12.694 -10.315   4.127
  862    H    LEU 111           H        LEU 111   4.702 -12.046   1.630
  863    HA   LEU 111           HA       LEU 111   3.118 -10.075   0.320
  864   1HB   LEU 111          2HB       LEU 111   3.493 -10.591  -1.925
  865   2HB   LEU 111          1HB       LEU 111   5.085 -10.393  -1.227
  866    HG   LEU 111           HG       LEU 111   3.798 -13.085  -1.695
  867   1HD1  LEU 111          1HD1      LEU 111   4.135 -11.854  -3.806
  868   2HD1  LEU 111          2HD1      LEU 111   5.167 -13.279  -3.667
  869   3HD1  LEU 111          3HD1      LEU 111   5.841 -11.671  -3.399
  870   1HD2  LEU 111          1HD2      LEU 111   5.613 -13.975  -0.754
  871   2HD2  LEU 111          2HD2      LEU 111   5.950 -12.362  -0.123
  872   3HD2  LEU 111          3HD2      LEU 111   6.696 -12.893  -1.630
  873    H    THR 112           H        THR 112   1.152 -10.752   0.622
  874    HA   THR 112           HA       THR 112   0.563 -13.618   0.365
  875    HB   THR 112           HB       THR 112   0.459 -13.011   2.704
  876    HG1  THR 112           1HG      THR 112  -1.751 -13.752   1.299
  877   1HG2  THR 112          1HG2      THR 112   0.076 -10.846   3.134
  878   2HG2  THR 112          2HG2      THR 112  -1.610 -11.362   3.179
  879   3HG2  THR 112          3HG2      THR 112  -0.950 -10.629   1.716
  880    H    VAL 113           H        VAL 113  -0.385 -13.732  -1.611
  881    HA   VAL 113           HA       VAL 113  -1.904 -11.635  -2.752
  882    HB   VAL 113           HB       VAL 113  -1.759 -14.560  -3.502
  883   1HG1  VAL 113          1HG1      VAL 113  -2.453 -13.261  -5.777
  884   2HG1  VAL 113          2HG1      VAL 113  -3.353 -12.332  -4.578
  885   3HG1  VAL 113          3HG1      VAL 113  -3.602 -14.072  -4.713
  886   1HG2  VAL 113          1HG2      VAL 113  -0.225 -12.113  -4.233
  887   2HG2  VAL 113          2HG2      VAL 113  -0.401 -13.417  -5.406
  888   3HG2  VAL 113          3HG2      VAL 113   0.356 -13.733  -3.845
  889    HA   PRO 114           HA       PRO 114  -5.852 -14.346  -1.574
  890   1HB   PRO 114          2HB       PRO 114  -4.561 -15.903   0.616
  891   2HB   PRO 114          1HB       PRO 114  -5.830 -16.392  -0.505
  892   1HG   PRO 114          2HG       PRO 114  -3.372 -17.302  -0.823
  893   2HG   PRO 114          1HG       PRO 114  -4.335 -16.808  -2.232
  894   1HD   PRO 114          2HD       PRO 114  -2.112 -15.356  -0.855
  895   2HD   PRO 114          1HD       PRO 114  -2.489 -15.481  -2.586
  896    H    HIS 115           H        HIS 115  -3.286 -13.123   0.219
  897    HA   HIS 115           HA       HIS 115  -3.000 -11.997   2.155
  898   1HB   HIS 115          2HB       HIS 115  -4.137  -9.852   2.113
  899   2HB   HIS 115          1HB       HIS 115  -3.586 -10.309   0.516
  900    HD1  HIS 115           1HD      HIS 115  -5.740 -11.652  -0.843
  901    HD2  HIS 115           2HD      HIS 115  -6.567  -8.747   2.006
  902    HE1  HIS 115           1HE      HIS 115  -8.060 -10.845  -1.363
  903    HE2  HIS 115           2HE      HIS 115  -8.485  -8.996   0.293
  904    H    TYR 116           H        TYR 116  -3.322 -12.862   4.041
  905    HA   TYR 116           HA       TYR 116  -6.071 -12.887   5.108
  906   1HB   TYR 116          2HB       TYR 116  -3.711 -14.672   5.744
  907   2HB   TYR 116          1HB       TYR 116  -5.131 -14.574   6.777
  908    HD1  TYR 116           1HD      TYR 116  -4.692 -14.799   3.063
  909    HD2  TYR 116           2HD      TYR 116  -6.379 -16.491   6.581
  910    HE1  TYR 116           1HE      TYR 116  -5.807 -16.514   1.699
  911    HE2  TYR 116           2HE      TYR 116  -7.499 -18.210   5.226
  912    HH   TYR 116           HH       TYR 116  -8.009 -18.873   3.150
  913    H    ASP 117           H        ASP 117  -6.132 -10.900   5.953
  914    HA   ASP 117           HA       ASP 117  -5.582 -10.123   8.392
  915   1HB   ASP 117          2HB       ASP 117  -3.165 -10.728   8.063
  916   2HB   ASP 117          1HB       ASP 117  -3.047  -9.438   6.873
  917    H    MET 118           H        MET 118  -4.602  -8.928   5.195
  918    HA   MET 118           HA       MET 118  -5.173  -6.226   5.501
  919   1HB   MET 118          2HB       MET 118  -5.841  -7.595   2.920
  920   2HB   MET 118          1HB       MET 118  -5.005  -6.066   3.185
  921   1HG   MET 118          2HG       MET 118  -3.848  -8.748   3.851
  922   2HG   MET 118          1HG       MET 118  -3.592  -7.893   2.340
  923   1HE   MET 118          1HE       MET 118  -0.223  -7.391   3.403
  924   2HE   MET 118          2HE       MET 118  -1.353  -8.706   3.082
  925   3HE   MET 118          3HE       MET 118  -0.746  -8.444   4.719
  926    H    LYS 119           H        LYS 119  -7.225  -8.916   5.315
  927    HA   LYS 119           HA       LYS 119  -9.607  -7.653   4.429
  928   1HB   LYS 119          2HB       LYS 119 -10.649  -9.686   5.616
  929   2HB   LYS 119          1HB       LYS 119  -9.585  -9.992   4.252
  930   1HG   LYS 119          2HG       LYS 119  -7.769 -10.548   5.738
  931   2HG   LYS 119          1HG       LYS 119  -8.751 -10.137   7.141
  932   1HD   LYS 119          2HD       LYS 119  -9.361 -12.333   5.161
  933   2HD   LYS 119          1HD       LYS 119  -8.637 -12.569   6.752
  934   1HE   LYS 119          2HE       LYS 119 -10.644 -11.640   7.800
  935   2HE   LYS 119          1HE       LYS 119 -11.365 -11.402   6.209
  936   1HZ   LYS 119          1HZ       LYS 119 -10.495 -14.061   7.179
  937   2HZ   LYS 119          2HZ       LYS 119 -11.502 -13.710   5.867
  938   3HZ   LYS 119          3HZ       LYS 119 -12.055 -13.463   7.445
  939    H    ASN 120           H        ASN 120  -7.837  -6.725   6.867
  940    HA   ASN 120           HA       ASN 120 -10.081  -6.448   8.764
  941   1HB   ASN 120          2HB       ASN 120  -8.574  -6.283  10.522
  942   2HB   ASN 120          1HB       ASN 120  -7.779  -7.436   9.463
  943   1HD2  ASN 120          1HD2      ASN 120  -5.698  -7.102   9.241
  944   2HD2  ASN 120          2HD2      ASN 120  -4.887  -5.580   9.327
  945    H    ARG 121           H        ARG 121  -8.828  -4.749   6.280
  946    HA   ARG 121           HA       ARG 121  -9.817  -2.276   7.398
  947   1HB   ARG 121          2HB       ARG 121  -7.801  -0.976   6.879
  948   2HB   ARG 121          1HB       ARG 121  -7.534  -2.172   8.138
  949   1HG   ARG 121          2HG       ARG 121  -6.783  -2.617   5.261
  950   2HG   ARG 121          1HG       ARG 121  -5.693  -1.915   6.456
  951   1HD   ARG 121          2HD       ARG 121  -6.217  -4.017   7.847
  952   2HD   ARG 121          1HD       ARG 121  -6.826  -4.687   6.334
  953    HE   ARG 121           HE       ARG 121  -4.663  -5.032   5.717
  954   1HH1  ARG 121          1HH1      ARG 121  -4.720  -2.472   8.081
  955   2HH1  ARG 121          2HH1      ARG 121  -2.997  -2.308   8.133
  956   1HH2  ARG 121          1HH2      ARG 121  -2.393  -4.827   5.786
  957   2HH2  ARG 121          2HH2      ARG 121  -1.676  -3.645   6.829
  958    H    GLY 122           H        GLY 122 -10.824  -1.077   5.999
  959   1HA   GLY 122          2HA       GLY 122 -10.953  -1.840   3.195
  960   2HA   GLY 122          1HA       GLY 122 -11.867  -0.562   4.004
  961    H    PHE 123           H        PHE 123  -8.789  -0.023   4.953
  962    HA   PHE 123           HA       PHE 123  -8.493   2.048   2.944
  963   1HB   PHE 123          2HB       PHE 123  -6.713   2.959   4.353
  964   2HB   PHE 123          1HB       PHE 123  -8.195   2.726   5.257
  965    HD1  PHE 123           1HD      PHE 123  -5.049   0.887   4.484
  966    HD2  PHE 123           2HD      PHE 123  -7.996   1.874   7.390
  967    HE1  PHE 123           1HE      PHE 123  -3.815  -0.410   6.170
  968    HE2  PHE 123           2HE      PHE 123  -6.761   0.590   9.085
  969    HZ   PHE 123           HZ       PHE 123  -4.599  -0.341   8.577
  970    H    MET 124           H        MET 124  -8.102  -0.797   2.391
  971    HA   MET 124           HA       MET 124  -5.667  -0.517   0.863
  972   1HB   MET 124          2HB       MET 124  -6.000  -2.677   2.947
  973   2HB   MET 124          1HB       MET 124  -4.874  -2.816   1.605
  974   1HG   MET 124          2HG       MET 124  -3.765  -0.745   2.388
  975   2HG   MET 124          1HG       MET 124  -4.835  -0.749   3.789
  976   1HE   MET 124          1HE       MET 124  -1.945  -1.550   5.722
  977   2HE   MET 124          2HE       MET 124  -2.510  -0.302   4.611
  978   3HE   MET 124          3HE       MET 124  -1.136  -1.318   4.174
  979    H    LEU 125           H        LEU 125  -8.465  -2.431   1.816
  980    HA   LEU 125           HA       LEU 125  -8.413  -3.995  -0.587
  981   1HB   LEU 125          2HB       LEU 125 -10.474  -3.788   1.593
  982   2HB   LEU 125          1HB       LEU 125 -10.468  -4.978   0.310
  983    HG   LEU 125           HG       LEU 125  -8.433  -4.713   2.518
  984   1HD1  LEU 125          1HD1      LEU 125 -10.909  -6.121   2.296
  985   2HD1  LEU 125          2HD1      LEU 125  -9.791  -6.035   3.657
  986   3HD1  LEU 125          3HD1      LEU 125  -9.578  -7.271   2.417
  987   1HD2  LEU 125          1HD2      LEU 125  -8.543  -6.787   0.337
  988   2HD2  LEU 125          2HD2      LEU 125  -7.330  -6.635   1.607
  989   3HD2  LEU 125          3HD2      LEU 125  -7.442  -5.408   0.345
  990    H    TRP 126           H        TRP 126 -10.003  -1.123   0.593
  991    HA   TRP 126           HA       TRP 126 -11.900  -1.076  -1.584
  992   1HB   TRP 126          2HB       TRP 126 -12.670  -0.136   0.465
  993   2HB   TRP 126          1HB       TRP 126 -11.253   0.898   0.600
  994    HD1  TRP 126           HD       TRP 126 -11.781   3.296   0.084
  995    HE1  TRP 126           1HE      TRP 126 -13.401   4.563  -1.472
  996    HE3  TRP 126           3HE      TRP 126 -14.072  -0.700  -2.121
  997    HZ2  TRP 126           2HZ      TRP 126 -15.391   3.941  -3.379
  998    HZ3  TRP 126           3HZ      TRP 126 -15.825  -0.282  -3.796
  999    HH2  TRP 126           HH       TRP 126 -16.469   1.991  -4.411
 1000    HA   PRO 127           HA       PRO 127  -8.968   2.729  -2.840
 1001   1HB   PRO 127          2HB       PRO 127  -6.337   2.007  -2.195
 1002   2HB   PRO 127          1HB       PRO 127  -7.290   3.261  -1.398
 1003   1HG   PRO 127          2HG       PRO 127  -6.836   0.422  -0.585
 1004   2HG   PRO 127          1HG       PRO 127  -6.929   1.879   0.423
 1005   1HD   PRO 127          2HD       PRO 127  -8.987   0.205   0.314
 1006   2HD   PRO 127          1HD       PRO 127  -9.263   1.959   0.295
 1007    H    LEU 128           H        LEU 128  -7.568  -0.541  -2.539
 1008    HA   LEU 128           HA       LEU 128  -6.558  -0.526  -5.233
 1009   1HB   LEU 128          2HB       LEU 128  -5.538  -1.826  -3.365
 1010   2HB   LEU 128          1HB       LEU 128  -6.960  -2.860  -3.343
 1011    HG   LEU 128           HG       LEU 128  -6.457  -3.686  -5.570
 1012   1HD1  LEU 128          1HD1      LEU 128  -4.681  -2.946  -6.905
 1013   2HD1  LEU 128          2HD1      LEU 128  -3.917  -2.080  -5.572
 1014   3HD1  LEU 128          3HD1      LEU 128  -5.403  -1.458  -6.289
 1015   1HD2  LEU 128          1HD2      LEU 128  -4.719  -5.070  -4.965
 1016   2HD2  LEU 128          2HD2      LEU 128  -5.249  -4.473  -3.392
 1017   3HD2  LEU 128          3HD2      LEU 128  -3.823  -3.780  -4.164
 1018    H    PHE 129           H        PHE 129  -9.531  -1.293  -3.683
 1019    HA   PHE 129           HA       PHE 129 -10.585  -3.146  -5.533
 1020   1HB   PHE 129          2HB       PHE 129 -11.603  -2.692  -3.320
 1021   2HB   PHE 129          1HB       PHE 129 -12.070  -1.093  -3.875
 1022    HD1  PHE 129           1HD      PHE 129 -13.809  -0.839  -5.609
 1023    HD2  PHE 129           2HD      PHE 129 -12.834  -4.627  -3.916
 1024    HE1  PHE 129           1HE      PHE 129 -15.932  -1.764  -6.438
 1025    HE2  PHE 129           2HE      PHE 129 -14.948  -5.556  -4.761
 1026    HZ   PHE 129           HZ       PHE 129 -16.499  -4.115  -6.038
 1027    H    GLU 130           H        GLU 130 -10.789   0.392  -5.311
 1028    HA   GLU 130           HA       GLU 130 -12.319   0.808  -7.638
 1029   1HB   GLU 130          2HB       GLU 130 -11.814   2.513  -5.843
 1030   2HB   GLU 130          1HB       GLU 130 -10.198   2.657  -6.516
 1031   1HG   GLU 130          2HG       GLU 130 -12.744   3.238  -8.013
 1032   2HG   GLU 130          1HG       GLU 130 -11.729   4.449  -7.232
 1033    H    ILE 131           H        ILE 131  -8.863   0.553  -7.036
 1034    HA   ILE 131           HA       ILE 131  -7.824   1.170  -9.530
 1035    HB   ILE 131           HB       ILE 131  -6.917  -0.838  -7.468
 1036   1HG1  ILE 131          2HG1      ILE 131  -6.882   1.498  -6.747
 1037   2HG1  ILE 131          1HG1      ILE 131  -5.246   0.875  -6.923
 1038   1HG2  ILE 131          1HG2      ILE 131  -5.849  -0.274 -10.147
 1039   2HG2  ILE 131          2HG2      ILE 131  -5.693  -1.710  -9.136
 1040   3HG2  ILE 131          3HG2      ILE 131  -4.665  -0.310  -8.840
 1041   1HD1  ILE 131          1HD1      ILE 131  -4.796   2.655  -8.157
 1042   2HD1  ILE 131          2HD1      ILE 131  -6.495   3.126  -8.193
 1043   3HD1  ILE 131          3HD1      ILE 131  -5.867   2.000  -9.395
 1044    H    ALA 132           H        ALA 132  -8.776  -2.008  -8.263
 1045    HA   ALA 132           HA       ALA 132  -9.506  -2.859 -10.953
 1046   1HB   ALA 132          1HB       ALA 132  -8.287  -5.124 -10.147
 1047   2HB   ALA 132          2HB       ALA 132  -7.231  -3.919  -9.407
 1048   3HB   ALA 132          3HB       ALA 132  -7.511  -3.897 -11.150
 1049    HA   PRO 133           HA       PRO 133 -12.560  -4.287  -7.815
 1050   1HB   PRO 133          2HB       PRO 133 -14.614  -3.544  -9.695
 1051   2HB   PRO 133          1HB       PRO 133 -14.242  -2.811  -8.136
 1052   1HG   PRO 133          2HG       PRO 133 -13.882  -1.572 -10.566
 1053   2HG   PRO 133          1HG       PRO 133 -13.016  -1.141  -9.082
 1054   1HD   PRO 133          2HD       PRO 133 -12.103  -2.785 -11.405
 1055   2HD   PRO 133          1HD       PRO 133 -11.193  -1.631 -10.408
 1056    H    GLU 134           H        GLU 134 -11.182  -6.091  -9.345
 1057    HA   GLU 134           HA       GLU 134 -13.192  -8.031  -9.946
 1058   1HB   GLU 134          2HB       GLU 134 -12.525  -8.413 -12.292
 1059   2HB   GLU 134          1HB       GLU 134 -13.257  -6.832 -12.055
 1060   1HG   GLU 134          2HG       GLU 134 -11.035  -5.810 -12.030
 1061   2HG   GLU 134          1HG       GLU 134 -10.308  -7.396 -12.280
 1062    H    LEU 135           H        LEU 135 -10.210  -7.181  -8.882
 1063    HA   LEU 135           HA       LEU 135  -8.552  -9.270  -9.765
 1064   1HB   LEU 135          2HB       LEU 135  -7.193  -8.764  -7.760
 1065   2HB   LEU 135          1HB       LEU 135  -7.600  -7.346  -8.707
 1066    HG   LEU 135           HG       LEU 135  -9.532  -7.043  -7.007
 1067   1HD1  LEU 135          1HD1      LEU 135  -7.700  -8.503  -5.155
 1068   2HD1  LEU 135          2HD1      LEU 135  -8.961  -9.375  -6.026
 1069   3HD1  LEU 135          3HD1      LEU 135  -9.393  -8.055  -4.940
 1070   1HD2  LEU 135          1HD2      LEU 135  -6.785  -6.611  -5.888
 1071   2HD2  LEU 135          2HD2      LEU 135  -8.210  -5.576  -5.773
 1072   3HD2  LEU 135          3HD2      LEU 135  -7.349  -5.723  -7.304
 1073    H    VAL 136           H        VAL 136 -11.253  -9.320  -7.738
 1074    HA   VAL 136           HA       VAL 136 -10.990 -11.078  -5.757
 1075    HB   VAL 136           HB       VAL 136 -13.172 -10.298  -6.358
 1076   1HG1  VAL 136          1HG1      VAL 136 -12.503 -11.422  -8.952
 1077   2HG1  VAL 136          2HG1      VAL 136 -13.667 -10.167  -8.528
 1078   3HG1  VAL 136          3HG1      VAL 136 -14.122 -11.867  -8.413
 1079   1HG2  VAL 136          1HG2      VAL 136 -12.880 -12.534  -5.182
 1080   2HG2  VAL 136          2HG2      VAL 136 -13.307 -13.275  -6.725
 1081   3HG2  VAL 136          3HG2      VAL 136 -14.455 -12.213  -5.907
 1082    H    PHE 137           H        PHE 137  -9.862 -12.855  -5.522
 1083    HA   PHE 137           HA       PHE 137 -10.292 -15.281  -6.700
 1084   1HB   PHE 137          2HB       PHE 137  -9.624 -14.261  -8.828
 1085   2HB   PHE 137          1HB       PHE 137  -8.057 -13.858  -8.143
 1086    HD1  PHE 137           1HD      PHE 137  -6.397 -15.166  -9.028
 1087    HD2  PHE 137           2HD      PHE 137 -10.169 -16.939  -8.173
 1088    HE1  PHE 137           1HE      PHE 137  -5.527 -17.353  -9.742
 1089    HE2  PHE 137           2HE      PHE 137  -9.305 -19.130  -8.882
 1090    HZ   PHE 137           HZ       PHE 137  -6.980 -19.340  -9.668
 1091    HA   PRO 138           HA       PRO 138  -5.600 -14.826  -4.816
 1092   1HB   PRO 138          2HB       PRO 138  -6.262 -13.115  -2.598
 1093   2HB   PRO 138          1HB       PRO 138  -5.076 -12.835  -3.876
 1094   1HG   PRO 138          2HG       PRO 138  -7.869 -11.879  -3.655
 1095   2HG   PRO 138          1HG       PRO 138  -6.487 -11.144  -4.487
 1096   1HD   PRO 138          2HD       PRO 138  -8.459 -12.296  -5.864
 1097   2HD   PRO 138          1HD       PRO 138  -6.766 -12.481  -6.379
 1098    H    ASP 139           H        ASP 139  -8.501 -14.241  -2.902
 1099    HA   ASP 139           HA       ASP 139  -8.100 -16.823  -1.545
 1100   1HB   ASP 139          2HB       ASP 139  -9.143 -15.856   0.459
 1101   2HB   ASP 139          1HB       ASP 139  -7.703 -14.952   0.005
 1102    H    GLY 140           H        GLY 140 -10.014 -14.945  -3.544
 1103   1HA   GLY 140          2HA       GLY 140 -11.867 -15.934  -4.697
 1104   2HA   GLY 140          1HA       GLY 140 -12.265 -16.814  -3.229
 1105    H    GLU 141           H        GLU 141 -11.419 -13.442  -3.126
 1106    HA   GLU 141           HA       GLU 141 -14.149 -12.521  -3.235
 1107   1HB   GLU 141          2HB       GLU 141 -12.639 -12.441  -0.616
 1108   2HB   GLU 141          1HB       GLU 141 -14.090 -11.509  -0.945
 1109   1HG   GLU 141          2HG       GLU 141 -15.259 -13.692  -1.360
 1110   2HG   GLU 141          1HG       GLU 141 -13.818 -14.484  -0.727
 1111    H    MET 142           H        MET 142 -14.264 -10.419  -3.802
 1112    HA   MET 142           HA       MET 142 -11.972  -9.007  -4.608
 1113   1HB   MET 142          2HB       MET 142 -14.570  -7.700  -3.822
 1114   2HB   MET 142          1HB       MET 142 -13.398  -7.135  -4.992
 1115   1HG   MET 142          2HG       MET 142 -13.937  -8.904  -6.488
 1116   2HG   MET 142          1HG       MET 142 -14.972  -9.654  -5.282
 1117   1HE   MET 142          1HE       MET 142 -14.147  -6.566  -7.113
 1118   2HE   MET 142          2HE       MET 142 -15.640  -5.639  -7.261
 1119   3HE   MET 142          3HE       MET 142 -15.290  -6.935  -8.405
 1120    H    LEU 143           H        LEU 143 -10.758  -7.449  -3.577
 1121    HA   LEU 143           HA       LEU 143 -10.099  -7.644  -0.982
 1122   1HB   LEU 143          2HB       LEU 143 -10.296  -4.988  -2.361
 1123   2HB   LEU 143          1HB       LEU 143  -9.178  -5.456  -1.094
 1124    HG   LEU 143           HG       LEU 143  -9.200  -6.441  -3.932
 1125   1HD1  LEU 143          1HD1      LEU 143  -6.796  -5.443  -3.631
 1126   2HD1  LEU 143          2HD1      LEU 143  -7.589  -4.498  -2.371
 1127   3HD1  LEU 143          3HD1      LEU 143  -8.167  -4.413  -4.034
 1128   1HD2  LEU 143          1HD2      LEU 143  -8.296  -8.312  -3.070
 1129   2HD2  LEU 143          2HD2      LEU 143  -8.020  -7.565  -1.498
 1130   3HD2  LEU 143          3HD2      LEU 143  -6.866  -7.315  -2.807
 1131    H    ARG 144           H        ARG 144 -12.239  -5.093  -2.127
 1132    HA   ARG 144           HA       ARG 144 -13.092  -4.132   0.266
 1133   1HB   ARG 144          2HB       ARG 144 -13.419  -3.022  -1.862
 1134   2HB   ARG 144          1HB       ARG 144 -14.617  -4.231  -2.319
 1135   1HG   ARG 144          2HG       ARG 144 -14.981  -2.557   0.142
 1136   2HG   ARG 144          1HG       ARG 144 -15.425  -1.960  -1.453
 1137   1HD   ARG 144          2HD       ARG 144 -16.447  -4.552  -0.329
 1138   2HD   ARG 144          1HD       ARG 144 -17.280  -3.016  -0.117
 1139    HE   ARG 144           HE       ARG 144 -17.364  -4.657  -2.402
 1140   1HH1  ARG 144          1HH1      ARG 144 -17.143  -1.297  -1.492
 1141   2HH1  ARG 144          2HH1      ARG 144 -17.894  -0.725  -2.943
 1142   1HH2  ARG 144          1HH2      ARG 144 -18.360  -3.907  -4.308
 1143   2HH2  ARG 144          2HH2      ARG 144 -18.588  -2.207  -4.541
 1144    H    GLN 145           H        GLN 145 -14.624  -6.832  -1.541
 1145    HA   GLN 145           HA       GLN 145 -16.899  -7.015   0.048
 1146   1HB   GLN 145          2HB       GLN 145 -15.603  -9.589  -0.670
 1147   2HB   GLN 145          1HB       GLN 145 -17.280  -9.083  -0.833
 1148   1HG   GLN 145          2HG       GLN 145 -15.003  -8.188  -2.542
 1149   2HG   GLN 145          1HG       GLN 145 -16.223  -9.389  -2.990
 1150   1HE2  GLN 145          1HE2      GLN 145 -15.372  -6.154  -2.902
 1151   2HE2  GLN 145          2HE2      GLN 145 -16.868  -5.480  -3.418
 1152    H    ILE 146           H        ILE 146 -13.661  -8.188   0.537
 1153    HA   ILE 146           HA       ILE 146 -14.213  -9.617   2.935
 1154    HB   ILE 146           HB       ILE 146 -11.483  -8.581   2.372
 1155   1HG1  ILE 146          2HG1      ILE 146 -12.623 -10.860   0.764
 1156   2HG1  ILE 146          1HG1      ILE 146 -12.628  -9.205   0.160
 1157   1HG2  ILE 146          1HG2      ILE 146 -12.635 -11.250   3.177
 1158   2HG2  ILE 146          2HG2      ILE 146 -11.839 -10.082   4.231
 1159   3HG2  ILE 146          3HG2      ILE 146 -10.915 -10.916   2.981
 1160   1HD1  ILE 146          1HD1      ILE 146 -10.722 -10.681  -0.576
 1161   2HD1  ILE 146          2HD1      ILE 146 -10.124 -10.566   1.079
 1162   3HD1  ILE 146          3HD1      ILE 146 -10.293  -9.109   0.099
 1163    H    LEU 147           H        LEU 147 -13.394  -6.287   2.146
 1164    HA   LEU 147           HA       LEU 147 -12.685  -5.674   4.904
 1165   1HB   LEU 147          2HB       LEU 147 -11.962  -3.612   4.160
 1166   2HB   LEU 147          1HB       LEU 147 -11.666  -4.635   2.768
 1167    HG   LEU 147           HG       LEU 147 -13.994  -3.813   1.963
 1168   1HD1  LEU 147          1HD1      LEU 147 -13.818  -2.445   4.398
 1169   2HD1  LEU 147          2HD1      LEU 147 -15.025  -2.230   3.128
 1170   3HD1  LEU 147          3HD1      LEU 147 -13.570  -1.233   3.141
 1171   1HD2  LEU 147          1HD2      LEU 147 -11.559  -2.059   2.006
 1172   2HD2  LEU 147          2HD2      LEU 147 -12.957  -1.805   0.964
 1173   3HD2  LEU 147          3HD2      LEU 147 -11.987  -3.267   0.801
 1174    H    HIS 148           H        HIS 148 -15.391  -5.130   2.722
 1175    HA   HIS 148           HA       HIS 148 -16.767  -3.345   4.467
 1176   1HB   HIS 148          2HB       HIS 148 -17.068  -3.456   1.974
 1177   2HB   HIS 148          1HB       HIS 148 -17.920  -4.978   2.198
 1178    HD1  HIS 148           1HD      HIS 148 -19.797  -3.389   0.924
 1179    HD2  HIS 148           2HD      HIS 148 -19.022  -2.634   4.936
 1180    HE1  HIS 148           1HE      HIS 148 -21.760  -2.052   1.748
 1181    HE2  HIS 148           2HE      HIS 148 -21.232  -1.537   4.155
 1182    H    THR 149           H        THR 149 -16.428  -6.735   4.233
 1183    HA   THR 149           HA       THR 149 -18.758  -7.152   5.962
 1184    HB   THR 149           HB       THR 149 -18.671  -9.479   5.319
 1185    HG1  THR 149           1HG      THR 149 -17.005 -10.349   4.285
 1186   1HG2  THR 149          1HG2      THR 149 -18.187  -7.884   2.804
 1187   2HG2  THR 149          2HG2      THR 149 -19.714  -7.902   3.690
 1188   3HG2  THR 149          3HG2      THR 149 -19.096  -9.388   2.974
 1189    H    ARG 150           H        ARG 150 -15.265  -7.263   5.906
 1190    HA   ARG 150           HA       ARG 150 -15.347  -8.465   8.606
 1191   1HB   ARG 150          2HB       ARG 150 -13.022  -8.495   6.683
 1192   2HB   ARG 150          1HB       ARG 150 -13.089  -9.278   8.256
 1193   1HG   ARG 150          2HG       ARG 150 -14.824  -9.957   5.888
 1194   2HG   ARG 150          1HG       ARG 150 -13.406 -10.862   6.425
 1195   1HD   ARG 150          2HD       ARG 150 -15.911 -10.401   8.041
 1196   2HD   ARG 150          1HD       ARG 150 -15.502 -11.889   7.189
 1197    HE   ARG 150           HE       ARG 150 -13.400 -11.246   8.922
 1198   1HH1  ARG 150          1HH1      ARG 150 -16.724 -12.285   9.048
 1199   2HH1  ARG 150          2HH1      ARG 150 -16.543 -13.107  10.562
 1200   1HH2  ARG 150          1HH2      ARG 150 -13.153 -12.325  10.910
 1201   2HH2  ARG 150          2HH2      ARG 150 -14.512 -13.130  11.620
 1202    H    ALA 151           H        ALA 151 -14.194  -5.744   6.735
 1203    HA   ALA 151           HA       ALA 151 -12.751  -4.744   9.087
 1204   1HB   ALA 151          1HB       ALA 151 -12.631  -3.827   6.221
 1205   2HB   ALA 151          2HB       ALA 151 -11.452  -4.847   7.043
 1206   3HB   ALA 151          3HB       ALA 151 -11.673  -3.174   7.551
 1207    H    PHE 152           H        PHE 152 -13.603  -2.373   6.791
 1208    HA   PHE 152           HA       PHE 152 -15.646  -1.325   8.634
 1209   1HB   PHE 152          2HB       PHE 152 -13.559  -0.022   8.580
 1210   2HB   PHE 152          1HB       PHE 152 -13.744   0.200   6.844
 1211    HD1  PHE 152           1HD      PHE 152 -14.485   2.249   6.201
 1212    HD2  PHE 152           2HD      PHE 152 -15.853   0.652   9.899
 1213    HE1  PHE 152           1HE      PHE 152 -15.797   4.296   6.596
 1214    HE2  PHE 152           2HE      PHE 152 -17.168   2.693  10.301
 1215    HZ   PHE 152           HZ       PHE 152 -17.141   4.519   8.648
 1216    H    ASP 153           H        ASP 153 -14.986   0.231   5.601
 1217    HA   ASP 153           HA       ASP 153 -17.115  -1.093   4.187
 1218   1HB   ASP 153          2HB       ASP 153 -18.340   0.469   5.688
 1219   2HB   ASP 153          1HB       ASP 153 -17.468   1.813   4.959
 1220    H    LYS 154           H        LYS 154 -15.479   2.110   4.166
 1221    HA   LYS 154           HA       LYS 154 -13.879   1.520   1.925
 1222   1HB   LYS 154          2HB       LYS 154 -14.968   2.613   0.134
 1223   2HB   LYS 154          1HB       LYS 154 -16.172   1.557   0.854
 1224   1HG   LYS 154          2HG       LYS 154 -15.939   4.525   1.313
 1225   2HG   LYS 154          1HG       LYS 154 -17.102   3.732   0.251
 1226   1HD   LYS 154          2HD       LYS 154 -18.004   2.526   2.219
 1227   2HD   LYS 154          1HD       LYS 154 -16.895   3.438   3.247
 1228   1HE   LYS 154          2HE       LYS 154 -19.061   4.603   1.500
 1229   2HE   LYS 154          1HE       LYS 154 -19.132   4.424   3.252
 1230   1HZ   LYS 154          1HZ       LYS 154 -18.385   6.532   3.182
 1231   2HZ   LYS 154          2HZ       LYS 154 -17.702   6.374   1.643
 1232   3HZ   LYS 154          3HZ       LYS 154 -16.874   5.792   2.997
 1233    H    LEU 155           H        LEU 155 -14.777   3.448   4.451
 1234    HA   LEU 155           HA       LEU 155 -14.034   5.445   5.293
 1235   1HB   LEU 155          2HB       LEU 155 -11.728   4.949   3.407
 1236   2HB   LEU 155          1HB       LEU 155 -11.725   6.071   4.750
 1237    HG   LEU 155           HG       LEU 155 -11.811   3.056   4.899
 1238   1HD1  LEU 155          1HD1      LEU 155  -9.708   4.935   4.811
 1239   2HD1  LEU 155          2HD1      LEU 155  -9.614   3.197   5.093
 1240   3HD1  LEU 155          3HD1      LEU 155  -9.783   4.304   6.456
 1241   1HD2  LEU 155          1HD2      LEU 155 -11.917   5.042   7.171
 1242   2HD2  LEU 155          2HD2      LEU 155 -11.870   3.284   7.306
 1243   3HD2  LEU 155          3HD2      LEU 155 -13.281   4.075   6.606
 1244    H    ASN 156           H        ASN 156 -12.568   7.536   4.119
 1245    HA   ASN 156           HA       ASN 156 -14.309   8.342   1.892
 1246   1HB   ASN 156          2HB       ASN 156 -14.219  10.672   2.759
 1247   2HB   ASN 156          1HB       ASN 156 -15.057   9.560   3.830
 1248   1HD2  ASN 156          1HD2      ASN 156 -11.867   8.832   4.152
 1249   2HD2  ASN 156          2HD2      ASN 156 -11.478   9.842   5.491
 1250    H    LYS 157           H        LYS 157 -13.358   9.281   0.153
 1251    HA   LYS 157           HA       LYS 157 -10.571   8.963  -0.178
 1252   1HB   LYS 157          2HB       LYS 157 -12.648  10.392  -1.828
 1253   2HB   LYS 157          1HB       LYS 157 -10.954  10.343  -2.288
 1254   1HG   LYS 157          2HG       LYS 157 -12.020   8.634  -3.509
 1255   2HG   LYS 157          1HG       LYS 157 -11.122   7.830  -2.223
 1256   1HD   LYS 157          2HD       LYS 157 -13.944   8.546  -1.662
 1257   2HD   LYS 157          1HD       LYS 157 -13.658   7.234  -2.803
 1258   1HE   LYS 157          2HE       LYS 157 -12.303   6.072  -1.142
 1259   2HE   LYS 157          1HE       LYS 157 -12.546   7.395  -0.004
 1260   1HZ   LYS 157          1HZ       LYS 157 -14.025   5.387   0.266
 1261   2HZ   LYS 157          2HZ       LYS 157 -14.806   5.868  -1.154
 1262   3HZ   LYS 157          3HZ       LYS 157 -14.813   6.884   0.199
 1263    H    TRP 158           H        TRP 158  -9.449  10.071   1.338
 1264    HA   TRP 158           HA       TRP 158  -8.559  11.807   2.508
 1265   1HB   TRP 158          2HB       TRP 158  -7.418  11.933   0.308
 1266   2HB   TRP 158          1HB       TRP 158  -8.631  13.086  -0.234
 1267    HD1  TRP 158           HD       TRP 158  -6.832  13.151   3.189
 1268    HE1  TRP 158           1HE      TRP 158  -5.560  15.380   3.380
 1269    HE3  TRP 158           3HE      TRP 158  -7.716  15.000  -1.498
 1270    HZ2  TRP 158           2HZ      TRP 158  -5.003  17.621   1.761
 1271    HZ3  TRP 158           3HZ      TRP 158  -6.775  17.193  -2.096
 1272    HH2  TRP 158           HH       TRP 158  -5.446  18.475  -0.498
  Start of MODEL    9
    1   1H    THR   1          1HT       THR   1   2.320  -8.909 -15.210
    2   2H    THR   1          2HT       THR   1   2.246 -10.568 -15.530
    3   3H    THR   1          3HT       THR   1   3.671  -9.885 -14.927
    4    HA   THR   1           HA       THR   1   1.259 -10.680 -13.541
    5    HB   THR   1           HB       THR   1   4.174 -10.341 -12.807
    6    HG1  THR   1           1HG      THR   1   4.291 -12.173 -13.793
    7   1HG2  THR   1          1HG2      THR   1   2.433 -10.236 -10.881
    8   2HG2  THR   1          2HG2      THR   1   3.836 -11.302 -10.747
    9   3HG2  THR   1          3HG2      THR   1   2.265 -11.966 -11.195
   10    H    VAL   2           H        VAL   2  -0.067  -8.905 -13.218
   11    HA   VAL   2           HA       VAL   2   1.013  -6.417 -12.240
   12    HB   VAL   2           HB       VAL   2  -0.924  -6.287 -13.652
   13   1HG1  VAL   2          1HG1      VAL   2  -1.911  -8.433 -11.941
   14   2HG1  VAL   2          2HG1      VAL   2  -2.313  -8.036 -13.611
   15   3HG1  VAL   2          3HG1      VAL   2  -3.112  -7.190 -12.287
   16   1HG2  VAL   2          1HG2      VAL   2  -2.372  -4.896 -12.323
   17   2HG2  VAL   2          2HG2      VAL   2  -0.700  -4.638 -11.821
   18   3HG2  VAL   2          3HG2      VAL   2  -1.774  -5.635 -10.836
   19    H    ALA   3           H        ALA   3   1.884  -6.565 -10.254
   20    HA   ALA   3           HA       ALA   3   0.573  -8.105  -8.176
   21   1HB   ALA   3          1HB       ALA   3   2.525  -7.816  -6.899
   22   2HB   ALA   3          2HB       ALA   3   3.029  -6.410  -7.838
   23   3HB   ALA   3          3HB       ALA   3   3.085  -8.018  -8.559
   24    H    TYR   4           H        TYR   4  -0.288  -7.291  -6.280
   25    HA   TYR   4           HA       TYR   4  -0.978  -4.436  -6.425
   26   1HB   TYR   4          2HB       TYR   4  -2.934  -5.855  -6.280
   27   2HB   TYR   4          1HB       TYR   4  -2.291  -6.643  -4.836
   28    HD1  TYR   4           1HD      TYR   4  -2.654  -3.070  -5.897
   29    HD2  TYR   4           2HD      TYR   4  -3.471  -6.031  -2.957
   30    HE1  TYR   4           1HE      TYR   4  -3.757  -1.373  -4.499
   31    HE2  TYR   4           2HE      TYR   4  -4.572  -4.344  -1.551
   32    HH   TYR   4           HH       TYR   4  -5.561  -2.226  -1.659
   33    H    ILE   5           H        ILE   5  -0.031  -3.069  -5.202
   34    HA   ILE   5           HA       ILE   5   1.178  -3.934  -2.657
   35    HB   ILE   5           HB       ILE   5   2.150  -1.555  -4.208
   36   1HG1  ILE   5          2HG1      ILE   5   3.265  -4.344  -4.542
   37   2HG1  ILE   5          1HG1      ILE   5   2.149  -3.610  -5.692
   38   1HG2  ILE   5          1HG2      ILE   5   2.807  -2.777  -1.761
   39   2HG2  ILE   5          2HG2      ILE   5   3.626  -1.433  -2.557
   40   3HG2  ILE   5          3HG2      ILE   5   4.153  -3.088  -2.858
   41   1HD1  ILE   5          1HD1      ILE   5   4.871  -2.574  -4.948
   42   2HD1  ILE   5          2HD1      ILE   5   3.752  -1.802  -6.070
   43   3HD1  ILE   5          3HD1      ILE   5   4.428  -3.387  -6.450
   44    H    ALA   6           H        ALA   6   0.721  -2.724  -0.878
   45    HA   ALA   6           HA       ALA   6  -1.202  -0.531  -1.210
   46   1HB   ALA   6          1HB       ALA   6  -0.782  -1.254   1.532
   47   2HB   ALA   6          2HB       ALA   6  -1.083  -2.703   0.574
   48   3HB   ALA   6          3HB       ALA   6  -2.248  -1.379   0.560
   49    H    ILE   7           H        ILE   7  -0.366   1.467  -1.200
   50    HA   ILE   7           HA       ILE   7   2.143   1.923   0.259
   51    HB   ILE   7           HB       ILE   7   2.175   2.524  -2.113
   52   1HG1  ILE   7          2HG1      ILE   7   2.225   4.965  -0.324
   53   2HG1  ILE   7          1HG1      ILE   7   3.536   3.800  -0.476
   54   1HG2  ILE   7          1HG2      ILE   7  -0.020   4.461  -1.389
   55   2HG2  ILE   7          2HG2      ILE   7  -0.174   3.041  -2.425
   56   3HG2  ILE   7          3HG2      ILE   7   0.823   4.403  -2.937
   57   1HD1  ILE   7          1HD1      ILE   7   3.795   4.388  -2.823
   58   2HD1  ILE   7          2HD1      ILE   7   3.960   5.803  -1.784
   59   3HD1  ILE   7          3HD1      ILE   7   2.467   5.540  -2.685
   60    H    GLY   8           H        GLY   8   2.371   3.534   1.781
   61   1HA   GLY   8          2HA       GLY   8   0.106   5.256   2.390
   62   2HA   GLY   8          1HA       GLY   8   0.515   4.073   3.620
   63    H    SER   9           H        SER   9   0.766   7.181   3.046
   64    HA   SER   9           HA       SER   9   3.317   7.416   4.486
   65   1HB   SER   9          2HB       SER   9   2.490   9.075   2.093
   66   2HB   SER   9          1HB       SER   9   3.877   9.427   3.124
   67    HG   SER   9           HG       SER   9   4.940   7.776   2.285
   68    H    ASN  10           H        ASN  10   3.516   9.492   5.654
   69    HA   ASN  10           HA       ASN  10   0.961  10.852   6.118
   70   1HB   ASN  10          2HB       ASN  10   1.325  10.752   8.570
   71   2HB   ASN  10          1HB       ASN  10   1.070   9.167   7.851
   72   1HD2  ASN  10          1HD2      ASN  10   4.097  10.115   6.954
   73   2HD2  ASN  10          2HD2      ASN  10   5.007   9.378   8.219
   74    H    LEU  11           H        LEU  11   2.150  12.217   8.472
   75    HA   LEU  11           HA       LEU  11   3.366  14.057   9.012
   76   1HB   LEU  11          2HB       LEU  11   5.372  12.973   8.349
   77   2HB   LEU  11          1HB       LEU  11   4.997  13.164   6.646
   78    HG   LEU  11           HG       LEU  11   5.313  15.586   6.846
   79   1HD1  LEU  11          1HD1      LEU  11   5.340  16.636   8.800
   80   2HD1  LEU  11          2HD1      LEU  11   6.701  15.660   9.349
   81   3HD1  LEU  11          3HD1      LEU  11   5.050  15.091   9.598
   82   1HD2  LEU  11          1HD2      LEU  11   7.218  14.465   6.103
   83   2HD2  LEU  11          2HD2      LEU  11   7.543  13.778   7.694
   84   3HD2  LEU  11          3HD2      LEU  11   7.797  15.499   7.408
   85    H    ALA  12           H        ALA  12   2.320  15.891   8.842
   86    HA   ALA  12           HA       ALA  12   0.916  17.482   7.884
   87   1HB   ALA  12          1HB       ALA  12   2.349  19.100   6.616
   88   2HB   ALA  12          2HB       ALA  12   3.649  17.911   6.700
   89   3HB   ALA  12          3HB       ALA  12   2.991  18.603   8.181
   90    H    SER  13           H        SER  13   2.908  17.355   5.020
   91    HA   SER  13           HA       SER  13   0.525  16.649   3.445
   92   1HB   SER  13          2HB       SER  13   3.019  18.146   2.591
   93   2HB   SER  13          1HB       SER  13   1.627  17.797   1.563
   94    HG   SER  13           HG       SER  13   1.639  19.929   2.533
   95    HA   PRO  14           HA       PRO  14   3.211  12.939   3.080
   96   1HB   PRO  14          2HB       PRO  14   0.659  11.594   2.560
   97   2HB   PRO  14          1HB       PRO  14   1.862  11.267   3.808
   98   1HG   PRO  14          2HG       PRO  14  -0.539  12.343   4.380
   99   2HG   PRO  14          1HG       PRO  14   0.925  12.757   5.291
  100   1HD   PRO  14          2HD       PRO  14  -0.458  14.294   3.124
  101   2HD   PRO  14          1HD       PRO  14   0.260  14.881   4.637
  102    H    LEU  15           H        LEU  15   1.689  14.840   0.940
  103    HA   LEU  15           HA       LEU  15   1.273  13.148  -1.290
  104   1HB   LEU  15          2HB       LEU  15   0.286  15.374  -1.146
  105   2HB   LEU  15          1HB       LEU  15   1.882  16.102  -1.170
  106    HG   LEU  15           HG       LEU  15   2.221  15.220  -3.462
  107   1HD1  LEU  15          1HD1      LEU  15   0.936  13.502  -4.070
  108   2HD1  LEU  15          2HD1      LEU  15  -0.317  14.704  -4.383
  109   3HD1  LEU  15          3HD1      LEU  15  -0.273  13.858  -2.835
  110   1HD2  LEU  15          1HD2      LEU  15  -0.029  16.632  -4.240
  111   2HD2  LEU  15          2HD2      LEU  15   1.570  17.300  -3.907
  112   3HD2  LEU  15          3HD2      LEU  15   0.347  17.268  -2.638
  113    H    GLU  16           H        GLU  16   4.076  14.873  -0.066
  114    HA   GLU  16           HA       GLU  16   5.689  14.410  -2.379
  115   1HB   GLU  16          2HB       GLU  16   6.489  15.166   0.435
  116   2HB   GLU  16          1HB       GLU  16   7.546  15.210  -0.969
  117   1HG   GLU  16          2HG       GLU  16   6.107  16.896  -1.998
  118   2HG   GLU  16          1HG       GLU  16   5.052  16.854  -0.584
  119    H    GLN  17           H        GLN  17   5.441  12.879   0.818
  120    HA   GLN  17           HA       GLN  17   7.527  11.008   0.325
  121   1HB   GLN  17          2HB       GLN  17   5.291  10.803   2.341
  122   2HB   GLN  17          1HB       GLN  17   6.816   9.927   2.369
  123   1HG   GLN  17          2HG       GLN  17   7.926  12.223   2.453
  124   2HG   GLN  17          1HG       GLN  17   6.323  12.839   2.851
  125   1HE2  GLN  17          1HE2      GLN  17   7.111   9.664   3.892
  126   2HE2  GLN  17          2HE2      GLN  17   7.351  10.042   5.564
  127    H    VAL  18           H        VAL  18   3.993  10.847   0.034
  128    HA   VAL  18           HA       VAL  18   3.808   8.104  -0.520
  129    HB   VAL  18           HB       VAL  18   1.828   9.566  -0.102
  130   1HG1  VAL  18          1HG1      VAL  18   2.478  11.459  -1.502
  131   2HG1  VAL  18          2HG1      VAL  18   0.877  10.859  -1.936
  132   3HG1  VAL  18          3HG1      VAL  18   2.269  10.467  -2.945
  133   1HG2  VAL  18          1HG2      VAL  18   1.209   8.364  -2.719
  134   2HG2  VAL  18          2HG2      VAL  18   0.458   8.109  -1.144
  135   3HG2  VAL  18          3HG2      VAL  18   1.971   7.295  -1.541
  136    H    ASN  19           H        ASN  19   4.620  10.872  -2.499
  137    HA   ASN  19           HA       ASN  19   4.667   9.437  -4.980
  138   1HB   ASN  19          2HB       ASN  19   5.751  12.142  -4.168
  139   2HB   ASN  19          1HB       ASN  19   5.850  11.505  -5.808
  140   1HD2  ASN  19          1HD2      ASN  19   3.051  10.317  -4.592
  141   2HD2  ASN  19          2HD2      ASN  19   1.958  11.544  -5.123
  142    H    ALA  20           H        ALA  20   6.768   9.796  -2.314
  143    HA   ALA  20           HA       ALA  20   9.279   9.503  -3.566
  144   1HB   ALA  20          1HB       ALA  20  10.159   9.147  -1.441
  145   2HB   ALA  20          2HB       ALA  20   8.676   8.403  -0.846
  146   3HB   ALA  20          3HB       ALA  20   8.736  10.142  -1.133
  147    H    ALA  21           H        ALA  21   7.210   7.088  -1.967
  148    HA   ALA  21           HA       ALA  21   8.734   4.844  -2.833
  149   1HB   ALA  21          1HB       ALA  21   5.885   5.064  -1.850
  150   2HB   ALA  21          2HB       ALA  21   7.308   4.608  -0.913
  151   3HB   ALA  21          3HB       ALA  21   6.705   3.538  -2.178
  152    H    LEU  22           H        LEU  22   6.056   6.692  -4.108
  153    HA   LEU  22           HA       LEU  22   5.374   4.916  -6.233
  154   1HB   LEU  22          2HB       LEU  22   4.814   7.827  -5.705
  155   2HB   LEU  22          1HB       LEU  22   4.259   7.025  -7.160
  156    HG   LEU  22           HG       LEU  22   3.502   6.244  -4.343
  157   1HD1  LEU  22          1HD1      LEU  22   2.617   8.443  -5.402
  158   2HD1  LEU  22          2HD1      LEU  22   1.488   7.332  -4.625
  159   3HD1  LEU  22          3HD1      LEU  22   1.628   7.360  -6.382
  160   1HD2  LEU  22          1HD2      LEU  22   2.186   5.284  -6.855
  161   2HD2  LEU  22          2HD2      LEU  22   2.142   4.586  -5.235
  162   3HD2  LEU  22          3HD2      LEU  22   3.607   4.463  -6.210
  163    H    LYS  23           H        LYS  23   7.824   7.233  -5.695
  164    HA   LYS  23           HA       LYS  23   8.448   7.849  -8.411
  165   1HB   LYS  23          2HB       LYS  23   9.162   9.356  -6.672
  166   2HB   LYS  23          1HB       LYS  23  10.019   8.068  -5.837
  167   1HG   LYS  23          2HG       LYS  23  11.577   7.918  -7.745
  168   2HG   LYS  23          1HG       LYS  23  10.751   9.291  -8.486
  169   1HD   LYS  23          2HD       LYS  23  11.328  10.696  -6.601
  170   2HD   LYS  23          1HD       LYS  23  12.062   9.324  -5.770
  171   1HE   LYS  23          2HE       LYS  23  13.729   9.140  -7.552
  172   2HE   LYS  23          1HE       LYS  23  12.990  10.504  -8.389
  173   1HZ   LYS  23          1HZ       LYS  23  14.002  11.956  -7.054
  174   2HZ   LYS  23          2HZ       LYS  23  15.016  10.678  -6.611
  175   3HZ   LYS  23          3HZ       LYS  23  13.677  11.064  -5.653
  176    H    ALA  24           H        ALA  24   9.529   5.518  -6.026
  177    HA   ALA  24           HA       ALA  24  11.453   4.302  -7.818
  178   1HB   ALA  24          1HB       ALA  24  11.146   4.434  -5.045
  179   2HB   ALA  24          2HB       ALA  24  12.347   3.495  -5.936
  180   3HB   ALA  24          3HB       ALA  24  10.822   2.749  -5.460
  181    H    LEU  25           H        LEU  25   8.164   3.919  -6.837
  182    HA   LEU  25           HA       LEU  25   7.931   1.237  -7.914
  183   1HB   LEU  25          2HB       LEU  25   6.628   2.150  -5.897
  184   2HB   LEU  25          1HB       LEU  25   5.651   3.011  -7.075
  185    HG   LEU  25           HG       LEU  25   4.939   0.913  -8.080
  186   1HD1  LEU  25          1HD1      LEU  25   7.169  -0.219  -7.423
  187   2HD1  LEU  25          2HD1      LEU  25   5.692  -1.183  -7.443
  188   3HD1  LEU  25          3HD1      LEU  25   6.342  -0.599  -5.913
  189   1HD2  LEU  25          1HD2      LEU  25   3.776   1.876  -6.069
  190   2HD2  LEU  25          2HD2      LEU  25   4.664   0.714  -5.085
  191   3HD2  LEU  25          3HD2      LEU  25   3.535   0.147  -6.317
  192    H    GLY  26           H        GLY  26   7.829   4.419  -9.042
  193   1HA   GLY  26          2HA       GLY  26   5.960   3.979 -11.204
  194   2HA   GLY  26          1HA       GLY  26   6.987   5.396 -10.975
  195    H    ASP  27           H        ASP  27   9.403   4.017 -10.650
  196    HA   ASP  27           HA       ASP  27   9.799   2.700 -13.242
  197   1HB   ASP  27          2HB       ASP  27  11.532   4.858 -12.021
  198   2HB   ASP  27          1HB       ASP  27  11.986   3.882 -13.407
  199    H    ILE  28           H        ILE  28  10.057   0.699 -12.489
  200    HA   ILE  28           HA       ILE  28  12.074   0.213 -10.398
  201    HB   ILE  28           HB       ILE  28  10.103  -1.878 -11.219
  202   1HG1  ILE  28          2HG1      ILE  28   8.639  -0.982  -9.286
  203   2HG1  ILE  28          1HG1      ILE  28   9.494   0.538  -9.528
  204   1HG2  ILE  28          1HG2      ILE  28  11.702  -2.650  -9.697
  205   2HG2  ILE  28          2HG2      ILE  28  10.262  -2.347  -8.724
  206   3HG2  ILE  28          3HG2      ILE  28  11.595  -1.192  -8.712
  207   1HD1  ILE  28          1HD1      ILE  28   7.264  -0.505 -10.940
  208   2HD1  ILE  28          2HD1      ILE  28   8.617  -0.335 -12.059
  209   3HD1  ILE  28          3HD1      ILE  28   8.064   1.055 -11.125
  210    HA   PRO  29           HA       PRO  29  15.004  -1.718 -13.107
  211   1HB   PRO  29          2HB       PRO  29  14.339  -4.115 -11.421
  212   2HB   PRO  29          1HB       PRO  29  15.907  -3.580 -12.028
  213   1HG   PRO  29          2HG       PRO  29  15.158  -3.035  -9.528
  214   2HG   PRO  29          1HG       PRO  29  16.075  -1.862 -10.488
  215   1HD   PRO  29          2HD       PRO  29  13.262  -1.781  -9.625
  216   2HD   PRO  29          1HD       PRO  29  14.316  -0.458 -10.161
  217    H    GLU  30           H        GLU  30  11.988  -3.491 -12.386
  218    HA   GLU  30           HA       GLU  30  11.863  -4.231 -15.222
  219   1HB   GLU  30          2HB       GLU  30  11.379  -6.161 -12.949
  220   2HB   GLU  30          1HB       GLU  30  11.130  -6.507 -14.657
  221   1HG   GLU  30          2HG       GLU  30  13.518  -6.157 -15.067
  222   2HG   GLU  30          1HG       GLU  30  13.758  -5.839 -13.350
  223    H    SER  31           H        SER  31  10.141  -3.879 -12.157
  224    HA   SER  31           HA       SER  31   7.542  -4.347 -13.086
  225   1HB   SER  31          2HB       SER  31   8.396  -2.473 -10.872
  226   2HB   SER  31          1HB       SER  31   6.789  -3.164 -11.089
  227    HG   SER  31           HG       SER  31   8.241  -5.237 -11.065
  228    H    HIS  32           H        HIS  32   5.799  -2.542 -12.992
  229    HA   HIS  32           HA       HIS  32   6.536   0.057 -13.918
  230   1HB   HIS  32          2HB       HIS  32   6.949  -1.033 -16.007
  231   2HB   HIS  32          1HB       HIS  32   5.424  -1.903 -15.928
  232    HD1  HIS  32           1HD      HIS  32   6.466   1.767 -15.895
  233    HD2  HIS  32           2HD      HIS  32   3.598  -0.747 -17.545
  234    HE1  HIS  32           1HE      HIS  32   5.028   3.242 -17.337
  235    HE2  HIS  32           2HE      HIS  32   3.231   1.720 -18.231
  236    H    ILE  33           H        ILE  33   5.055   1.397 -13.240
  237    HA   ILE  33           HA       ILE  33   2.758   0.721 -11.885
  238    HB   ILE  33           HB       ILE  33   3.760   3.226 -13.125
  239   1HG1  ILE  33          2HG1      ILE  33   4.564   2.392 -10.934
  240   2HG1  ILE  33          1HG1      ILE  33   3.789   3.967 -10.810
  241   1HG2  ILE  33          1HG2      ILE  33   1.683   4.303 -11.915
  242   2HG2  ILE  33          2HG2      ILE  33   0.938   2.749 -12.290
  243   3HG2  ILE  33          3HG2      ILE  33   1.575   3.757 -13.589
  244   1HD1  ILE  33          1HD1      ILE  33   1.737   2.180 -10.363
  245   2HD1  ILE  33          2HD1      ILE  33   2.619   3.101  -9.144
  246   3HD1  ILE  33          3HD1      ILE  33   3.124   1.459  -9.546
  247    H    LEU  34           H        LEU  34   0.591   0.669 -12.326
  248    HA   LEU  34           HA       LEU  34  -0.255   0.844 -15.134
  249   1HB   LEU  34          2HB       LEU  34  -1.023  -1.348 -13.202
  250   2HB   LEU  34          1HB       LEU  34  -1.681  -1.137 -14.809
  251    HG   LEU  34           HG       LEU  34   1.172  -1.834 -14.146
  252   1HD1  LEU  34          1HD1      LEU  34  -0.019  -3.756 -15.784
  253   2HD1  LEU  34          2HD1      LEU  34  -1.217  -3.391 -14.542
  254   3HD1  LEU  34          3HD1      LEU  34   0.401  -3.916 -14.079
  255   1HD2  LEU  34          1HD2      LEU  34   0.293  -2.140 -16.902
  256   2HD2  LEU  34          2HD2      LEU  34   1.757  -1.398 -16.256
  257   3HD2  LEU  34          3HD2      LEU  34   0.268  -0.461 -16.362
  258    H    THR  35           H        THR  35  -1.881  -0.066 -12.107
  259    HA   THR  35           HA       THR  35  -3.652   2.269 -12.426
  260    HB   THR  35           HB       THR  35  -5.414   0.860 -11.303
  261    HG1  THR  35           1HG      THR  35  -5.016  -1.148 -10.813
  262   1HG2  THR  35          1HG2      THR  35  -4.340   0.127 -13.992
  263   2HG2  THR  35          2HG2      THR  35  -5.810   1.010 -13.573
  264   3HG2  THR  35          3HG2      THR  35  -5.720  -0.732 -13.307
  265    H    VAL  36           H        VAL  36  -3.203   3.699 -10.895
  266    HA   VAL  36           HA       VAL  36  -3.111   2.835  -8.121
  267    HB   VAL  36           HB       VAL  36  -0.763   2.776  -8.683
  268   1HG1  VAL  36          1HG1      VAL  36   0.200   4.144 -10.145
  269   2HG1  VAL  36          2HG1      VAL  36  -0.314   5.568  -9.239
  270   3HG1  VAL  36          3HG1      VAL  36  -1.390   4.848 -10.436
  271   1HG2  VAL  36          1HG2      VAL  36  -1.583   5.179  -7.065
  272   2HG2  VAL  36          2HG2      VAL  36   0.081   4.603  -7.163
  273   3HG2  VAL  36          3HG2      VAL  36  -1.173   3.566  -6.484
  274    H    SER  37           H        SER  37  -4.411   4.111  -7.002
  275    HA   SER  37           HA       SER  37  -4.320   6.913  -7.007
  276   1HB   SER  37          2HB       SER  37  -5.356   6.580  -9.272
  277   2HB   SER  37          1HB       SER  37  -6.732   5.818  -8.478
  278    HG   SER  37           HG       SER  37  -7.442   7.716  -7.917
  279    H    SER  38           H        SER  38  -7.186   7.283  -6.504
  280    HA   SER  38           HA       SER  38  -8.646   7.223  -4.777
  281   1HB   SER  38          2HB       SER  38  -8.980   4.896  -5.488
  282   2HB   SER  38          1HB       SER  38  -7.644   4.385  -4.456
  283    HG   SER  38           HG       SER  38 -10.204   4.755  -3.801
  284    H    PHE  39           H        PHE  39  -6.817   8.720  -3.966
  285    HA   PHE  39           HA       PHE  39  -5.163   7.825  -1.839
  286   1HB   PHE  39          2HB       PHE  39  -6.116  10.619  -2.515
  287   2HB   PHE  39          1HB       PHE  39  -4.844  10.240  -1.363
  288    HD1  PHE  39           1HD      PHE  39  -5.620   9.157  -4.866
  289    HD2  PHE  39           2HD      PHE  39  -2.777  10.784  -2.151
  290    HE1  PHE  39           1HE      PHE  39  -3.949   9.234  -6.668
  291    HE2  PHE  39           2HE      PHE  39  -1.100  10.863  -3.949
  292    HZ   PHE  39           HZ       PHE  39  -1.685  10.089  -6.212
  293    H    TYR  40           H        TYR  40  -6.487   6.664  -0.440
  294    HA   TYR  40           HA       TYR  40  -8.811   7.865   0.744
  295   1HB   TYR  40          2HB       TYR  40  -8.896   5.786   2.090
  296   2HB   TYR  40          1HB       TYR  40  -8.798   5.482   0.359
  297    HD1  TYR  40           1HD      TYR  40  -6.719   4.605  -0.630
  298    HD2  TYR  40           2HD      TYR  40  -7.143   5.134   3.570
  299    HE1  TYR  40           1HE      TYR  40  -4.769   3.152  -0.258
  300    HE2  TYR  40           2HE      TYR  40  -5.190   3.682   3.954
  301    HH   TYR  40           HH       TYR  40  -3.941   1.938   2.827
  302    H    ARG  41           H        ARG  41  -9.141   8.217   2.973
  303    HA   ARG  41           HA       ARG  41  -6.805   9.384   4.276
  304   1HB   ARG  41          2HB       ARG  41  -8.885  10.708   4.098
  305   2HB   ARG  41          1HB       ARG  41  -9.735   9.487   5.035
  306   1HG   ARG  41          2HG       ARG  41  -8.228   9.944   6.937
  307   2HG   ARG  41          1HG       ARG  41  -7.470  11.229   5.993
  308   1HD   ARG  41          2HD       ARG  41  -9.137  12.139   7.520
  309   2HD   ARG  41          1HD       ARG  41  -9.620  12.386   5.843
  310    HE   ARG  41           HE       ARG  41 -10.770  10.004   6.719
  311   1HH1  ARG  41          1HH1      ARG  41 -10.966  13.414   7.408
  312   2HH1  ARG  41          2HH1      ARG  41 -12.626  13.350   7.899
  313   1HH2  ARG  41          1HH2      ARG  41 -12.953   9.909   7.363
  314   2HH2  ARG  41          2HH2      ARG  41 -13.755  11.358   7.874
  315    H    THR  42           H        THR  42  -5.773   8.422   5.916
  316    HA   THR  42           HA       THR  42  -7.090   6.122   7.197
  317    HB   THR  42           HB       THR  42  -4.142   6.621   6.755
  318    HG1  THR  42           1HG      THR  42  -5.108   4.342   5.730
  319   1HG2  THR  42          1HG2      THR  42  -5.188   3.993   7.643
  320   2HG2  THR  42          2HG2      THR  42  -4.980   5.262   8.849
  321   3HG2  THR  42          3HG2      THR  42  -3.602   4.727   7.885
  322    HA   PRO  43           HA       PRO  43  -6.663   8.887  10.753
  323   1HB   PRO  43          2HB       PRO  43  -8.610   7.187  12.059
  324   2HB   PRO  43          1HB       PRO  43  -8.797   8.856  11.516
  325   1HG   PRO  43          2HG       PRO  43 -10.104   6.743  10.381
  326   2HG   PRO  43          1HG       PRO  43  -9.709   8.237   9.512
  327   1HD   PRO  43          2HD       PRO  43  -8.307   5.588   9.470
  328   2HD   PRO  43          1HD       PRO  43  -8.651   6.704   8.129
  329    HA   PRO  44           HA       PRO  44  -3.669   5.890  12.442
  330   1HB   PRO  44          2HB       PRO  44  -2.734   7.756  14.299
  331   2HB   PRO  44          1HB       PRO  44  -2.058   7.464  12.695
  332   1HG   PRO  44          2HG       PRO  44  -3.955   9.581  13.599
  333   2HG   PRO  44          1HG       PRO  44  -2.632   9.682  12.423
  334   1HD   PRO  44          2HD       PRO  44  -5.184   9.556  11.631
  335   2HD   PRO  44          1HD       PRO  44  -3.900   8.722  10.729
  336    H    LEU  45           H        LEU  45  -5.089   8.227  14.735
  337    HA   LEU  45           HA       LEU  45  -6.078   7.960  16.765
  338   1HB   LEU  45          2HB       LEU  45  -7.001   5.412  15.439
  339   2HB   LEU  45          1HB       LEU  45  -7.617   5.994  16.975
  340    HG   LEU  45           HG       LEU  45  -7.864   7.435  14.330
  341   1HD1  LEU  45          1HD1      LEU  45  -9.626   6.139  13.965
  342   2HD1  LEU  45          2HD1      LEU  45 -10.372   6.801  15.420
  343   3HD1  LEU  45          3HD1      LEU  45  -9.405   5.331  15.518
  344   1HD2  LEU  45          1HD2      LEU  45  -9.140   9.069  15.443
  345   2HD2  LEU  45          2HD2      LEU  45  -7.711   8.833  16.450
  346   3HD2  LEU  45          3HD2      LEU  45  -9.248   8.103  16.914
  347    H    GLY  46           H        GLY  46  -3.492   7.488  17.038
  348   1HA   GLY  46          2HA       GLY  46  -3.145   6.090  19.338
  349   2HA   GLY  46          1HA       GLY  46  -2.963   4.855  18.104
  350    HA   PRO  47           HA       PRO  47   1.259   5.760  17.276
  351   1HB   PRO  47          2HB       PRO  47   0.609   6.835  14.577
  352   2HB   PRO  47          1HB       PRO  47   1.742   5.560  15.038
  353   1HG   PRO  47          2HG       PRO  47  -0.593   4.961  13.906
  354   2HG   PRO  47          1HG       PRO  47   0.079   3.955  15.203
  355   1HD   PRO  47          2HD       PRO  47  -2.141   5.948  15.303
  356   2HD   PRO  47          1HD       PRO  47  -1.963   4.409  16.170
  357    H    GLN  48           H        GLN  48  -0.435   8.307  15.441
  358    HA   GLN  48           HA       GLN  48   1.327  10.292  16.694
  359   1HB   GLN  48          2HB       GLN  48  -0.424  10.479  14.240
  360   2HB   GLN  48          1HB       GLN  48   0.577  11.781  14.861
  361   1HG   GLN  48          2HG       GLN  48   2.576  10.456  14.462
  362   2HG   GLN  48          1HG       GLN  48   1.581   9.124  13.872
  363   1HE2  GLN  48          1HE2      GLN  48   0.035  11.829  12.895
  364   2HE2  GLN  48          2HE2      GLN  48   0.733  12.025  11.329
  365    H    ASP  49           H        ASP  49  -0.070  12.575  16.376
  366    HA   ASP  49           HA       ASP  49  -2.459  12.198  18.056
  367   1HB   ASP  49          2HB       ASP  49  -1.959  14.405  19.062
  368   2HB   ASP  49          1HB       ASP  49  -0.672  13.238  19.349
  369    H    GLN  50           H        GLN  50  -1.163  13.387  15.167
  370    HA   GLN  50           HA       GLN  50  -3.554  15.023  14.660
  371   1HB   GLN  50          2HB       GLN  50  -2.198  15.960  12.732
  372   2HB   GLN  50          1HB       GLN  50  -1.650  16.399  14.341
  373   1HG   GLN  50          2HG       GLN  50  -0.446  14.113  12.821
  374   2HG   GLN  50          1HG       GLN  50   0.110  15.775  12.623
  375   1HE2  GLN  50          1HE2      GLN  50   0.853  13.015  14.084
  376   2HE2  GLN  50          2HE2      GLN  50   1.630  13.600  15.511
  377    HA   PRO  51           HA       PRO  51  -4.364  11.219  12.244
  378   1HB   PRO  51          2HB       PRO  51  -7.060  11.658  12.107
  379   2HB   PRO  51          1HB       PRO  51  -6.265  10.826  13.448
  380   1HG   PRO  51          2HG       PRO  51  -7.170  13.671  13.248
  381   2HG   PRO  51          1HG       PRO  51  -7.306  12.546  14.612
  382   1HD   PRO  51          2HD       PRO  51  -5.406  14.456  14.516
  383   2HD   PRO  51          1HD       PRO  51  -5.112  12.872  15.262
  384    H    ASP  52           H        ASP  52  -3.618  11.602  10.229
  385    HA   ASP  52           HA       ASP  52  -5.346  12.594   8.248
  386   1HB   ASP  52          2HB       ASP  52  -4.736  14.773   9.261
  387   2HB   ASP  52          1HB       ASP  52  -3.044  14.443   8.903
  388    H    TYR  53           H        TYR  53  -4.076  10.240   8.300
  389    HA   TYR  53           HA       TYR  53  -1.555  10.372   6.899
  390   1HB   TYR  53          2HB       TYR  53  -3.349   8.122   7.766
  391   2HB   TYR  53          1HB       TYR  53  -2.006   7.829   6.670
  392    HD1  TYR  53           1HD      TYR  53  -0.441   6.638   7.872
  393    HD2  TYR  53           2HD      TYR  53  -2.229  10.052   9.674
  394    HE1  TYR  53           1HE      TYR  53   1.087   6.421   9.782
  395    HE2  TYR  53           2HE      TYR  53  -0.702   9.844  11.591
  396    HH   TYR  53           HH       TYR  53   1.639   7.182  11.795
  397    H    LEU  54           H        LEU  54  -1.297  10.545   4.776
  398    HA   LEU  54           HA       LEU  54  -3.631  10.171   3.041
  399   1HB   LEU  54          2HB       LEU  54  -2.375  12.328   2.974
  400   2HB   LEU  54          1HB       LEU  54  -0.965  11.453   2.415
  401    HG   LEU  54           HG       LEU  54  -2.274  12.680   0.646
  402   1HD1  LEU  54          1HD1      LEU  54  -0.743  10.599   0.358
  403   2HD1  LEU  54          2HD1      LEU  54  -1.746  11.149  -0.985
  404   3HD1  LEU  54          3HD1      LEU  54  -2.256   9.771  -0.009
  405   1HD2  LEU  54          1HD2      LEU  54  -4.421  12.249   0.208
  406   2HD2  LEU  54          2HD2      LEU  54  -4.452  11.504   1.806
  407   3HD2  LEU  54          3HD2      LEU  54  -4.202  10.506   0.374
  408    H    ASN  55           H        ASN  55  -3.792   8.102   2.445
  409    HA   ASN  55           HA       ASN  55  -1.374   6.774   1.403
  410   1HB   ASN  55          2HB       ASN  55  -3.739   5.497   2.784
  411   2HB   ASN  55          1HB       ASN  55  -2.348   4.639   2.136
  412   1HD2  ASN  55          1HD2      ASN  55  -0.902   7.254   3.219
  413   2HD2  ASN  55          2HD2      ASN  55  -0.593   6.821   4.858
  414    H    ALA  56           H        ALA  56  -1.962   4.913  -0.120
  415    HA   ALA  56           HA       ALA  56  -4.409   5.199  -1.611
  416   1HB   ALA  56          1HB       ALA  56  -2.317   5.408  -3.555
  417   2HB   ALA  56          2HB       ALA  56  -2.193   6.735  -2.400
  418   3HB   ALA  56          3HB       ALA  56  -3.696   6.474  -3.283
  419    H    ALA  57           H        ALA  57  -4.135   3.762  -3.732
  420    HA   ALA  57           HA       ALA  57  -2.793   1.277  -2.886
  421   1HB   ALA  57          1HB       ALA  57  -5.435   1.713  -4.233
  422   2HB   ALA  57          2HB       ALA  57  -5.073   0.789  -2.776
  423   3HB   ALA  57          3HB       ALA  57  -4.586   0.172  -4.355
  424    H    VAL  58           H        VAL  58  -1.513   0.219  -4.333
  425    HA   VAL  58           HA       VAL  58  -1.284   1.419  -6.999
  426    HB   VAL  58           HB       VAL  58   0.986   0.180  -5.447
  427   1HG1  VAL  58          1HG1      VAL  58   0.624   0.927  -8.161
  428   2HG1  VAL  58          2HG1      VAL  58   2.061   0.269  -7.379
  429   3HG1  VAL  58          3HG1      VAL  58   1.810   2.014  -7.438
  430   1HG2  VAL  58          1HG2      VAL  58   1.322   2.987  -5.824
  431   2HG2  VAL  58          2HG2      VAL  58   1.286   2.069  -4.320
  432   3HG2  VAL  58          3HG2      VAL  58  -0.213   2.698  -5.005
  433    H    ALA  59           H        ALA  59  -1.379   0.060  -8.642
  434    HA   ALA  59           HA       ALA  59  -1.010  -2.804  -8.168
  435   1HB   ALA  59          1HB       ALA  59  -3.048  -3.435  -8.953
  436   2HB   ALA  59          2HB       ALA  59  -3.168  -2.061 -10.052
  437   3HB   ALA  59          3HB       ALA  59  -3.515  -1.849  -8.336
  438    H    LEU  60           H        LEU  60   0.954  -2.651  -9.155
  439    HA   LEU  60           HA       LEU  60   0.867  -1.927 -12.019
  440   1HB   LEU  60          2HB       LEU  60   3.165  -1.274 -11.900
  441   2HB   LEU  60          1HB       LEU  60   2.276  -0.438 -10.644
  442    HG   LEU  60           HG       LEU  60   3.888  -2.927 -10.118
  443   1HD1  LEU  60          1HD1      LEU  60   5.135  -0.615  -9.060
  444   2HD1  LEU  60          2HD1      LEU  60   4.844  -0.331 -10.775
  445   3HD1  LEU  60          3HD1      LEU  60   5.760  -1.747 -10.258
  446   1HD2  LEU  60          1HD2      LEU  60   3.618  -1.063  -7.955
  447   2HD2  LEU  60          2HD2      LEU  60   3.123  -2.752  -8.042
  448   3HD2  LEU  60          3HD2      LEU  60   2.030  -1.483  -8.595
  449    H    GLU  61           H        GLU  61   2.189  -3.104 -13.466
  450    HA   GLU  61           HA       GLU  61   2.239  -5.915 -12.876
  451   1HB   GLU  61          2HB       GLU  61   3.260  -6.003 -15.237
  452   2HB   GLU  61          1HB       GLU  61   1.596  -5.463 -15.078
  453   1HG   GLU  61          2HG       GLU  61   2.210  -3.198 -15.387
  454   2HG   GLU  61          1HG       GLU  61   3.922  -3.570 -15.249
  455    H    THR  62           H        THR  62   3.763  -6.188 -11.269
  456    HA   THR  62           HA       THR  62   6.454  -5.241 -11.662
  457    HB   THR  62           HB       THR  62   6.869  -6.127  -9.447
  458    HG1  THR  62           1HG      THR  62   5.818  -8.009  -9.314
  459   1HG2  THR  62          1HG2      THR  62   5.040  -5.085  -8.109
  460   2HG2  THR  62          2HG2      THR  62   4.182  -4.784  -9.621
  461   3HG2  THR  62          3HG2      THR  62   5.749  -4.031  -9.332
  462    H    SER  63           H        SER  63   8.105  -7.042 -10.871
  463    HA   SER  63           HA       SER  63   7.607  -9.626 -12.135
  464   1HB   SER  63          2HB       SER  63   8.545  -8.250 -13.972
  465   2HB   SER  63          1HB       SER  63   9.927  -7.845 -12.954
  466    HG   SER  63           HG       SER  63   9.334 -10.197 -14.300
  467    H    LEU  64           H        LEU  64   9.407  -7.401 -10.294
  468    HA   LEU  64           HA       LEU  64  11.103  -9.364  -9.013
  469   1HB   LEU  64          2HB       LEU  64  11.681  -7.221  -7.663
  470   2HB   LEU  64          1HB       LEU  64  12.218  -7.344  -9.329
  471    HG   LEU  64           HG       LEU  64   9.567  -6.099  -9.054
  472   1HD1  LEU  64          1HD1      LEU  64  11.545  -4.113  -8.363
  473   2HD1  LEU  64          2HD1      LEU  64  11.460  -5.370  -7.129
  474   3HD1  LEU  64          3HD1      LEU  64  10.006  -4.484  -7.588
  475   1HD2  LEU  64          1HD2      LEU  64  10.574  -4.503 -10.606
  476   2HD2  LEU  64          2HD2      LEU  64  10.849  -6.162 -11.137
  477   3HD2  LEU  64          3HD2      LEU  64  12.153  -5.254 -10.374
  478    H    ALA  65           H        ALA  65   9.739 -10.670  -7.811
  479    HA   ALA  65           HA       ALA  65   7.441 -10.208  -6.519
  480   1HB   ALA  65          1HB       ALA  65   9.347 -11.583  -4.760
  481   2HB   ALA  65          2HB       ALA  65   9.281 -12.206  -6.410
  482   3HB   ALA  65          3HB       ALA  65   7.814 -12.140  -5.432
  483    HA   PRO  66           HA       PRO  66   7.424  -6.901  -3.602
  484   1HB   PRO  66          2HB       PRO  66   6.739  -9.147  -1.729
  485   2HB   PRO  66          1HB       PRO  66   6.066  -7.513  -1.801
  486   1HG   PRO  66          2HG       PRO  66   4.776  -9.540  -2.929
  487   2HG   PRO  66          1HG       PRO  66   4.850  -7.952  -3.708
  488   1HD   PRO  66          2HD       PRO  66   6.187 -10.481  -4.463
  489   2HD   PRO  66          1HD       PRO  66   5.789  -9.073  -5.469
  490    H    GLU  67           H        GLU  67   9.291  -9.799  -3.028
  491    HA   GLU  67           HA       GLU  67  10.695  -9.006  -0.750
  492   1HB   GLU  67          2HB       GLU  67  11.831 -10.540  -3.098
  493   2HB   GLU  67          1HB       GLU  67  12.373 -10.610  -1.425
  494   1HG   GLU  67          2HG       GLU  67  10.333 -11.678  -0.749
  495   2HG   GLU  67          1HG       GLU  67   9.648 -11.482  -2.365
  496    H    GLU  68           H        GLU  68  11.616  -8.712  -4.168
  497    HA   GLU  68           HA       GLU  68  13.741  -6.859  -3.709
  498   1HB   GLU  68          2HB       GLU  68  12.253  -7.522  -6.258
  499   2HB   GLU  68          1HB       GLU  68  13.794  -6.685  -6.162
  500   1HG   GLU  68          2HG       GLU  68  13.302  -9.503  -5.236
  501   2HG   GLU  68          1HG       GLU  68  13.990  -9.056  -6.796
  502    H    LEU  69           H        LEU  69  10.422  -6.641  -4.863
  503    HA   LEU  69           HA       LEU  69  10.294  -3.970  -5.571
  504   1HB   LEU  69          2HB       LEU  69   8.407  -5.043  -6.178
  505   2HB   LEU  69          1HB       LEU  69   8.403  -6.062  -4.769
  506    HG   LEU  69           HG       LEU  69   7.591  -4.023  -3.465
  507   1HD1  LEU  69          1HD1      LEU  69   7.155  -3.038  -6.272
  508   2HD1  LEU  69          2HD1      LEU  69   8.182  -2.312  -5.034
  509   3HD1  LEU  69          3HD1      LEU  69   6.430  -2.331  -4.828
  510   1HD2  LEU  69          1HD2      LEU  69   6.231  -6.021  -4.334
  511   2HD2  LEU  69          2HD2      LEU  69   5.654  -4.909  -5.575
  512   3HD2  LEU  69          3HD2      LEU  69   5.356  -4.560  -3.872
  513    H    LEU  70           H        LEU  70   9.343  -5.366  -2.417
  514    HA   LEU  70           HA       LEU  70   8.771  -3.013  -1.101
  515   1HB   LEU  70          2HB       LEU  70   9.733  -5.675  -0.183
  516   2HB   LEU  70          1HB       LEU  70   9.834  -4.344   0.951
  517    HG   LEU  70           HG       LEU  70   7.390  -3.960   0.651
  518   1HD1  LEU  70          1HD1      LEU  70   7.339  -5.125  -1.603
  519   2HD1  LEU  70          2HD1      LEU  70   6.013  -5.476  -0.493
  520   3HD1  LEU  70          3HD1      LEU  70   7.325  -6.639  -0.698
  521   1HD2  LEU  70          1HD2      LEU  70   6.694  -5.886   1.989
  522   2HD2  LEU  70          2HD2      LEU  70   8.234  -5.228   2.544
  523   3HD2  LEU  70          3HD2      LEU  70   8.202  -6.708   1.586
  524    H    ASN  71           H        ASN  71  11.912  -4.549  -1.657
  525    HA   ASN  71           HA       ASN  71  13.463  -2.867  -0.061
  526   1HB   ASN  71          2HB       ASN  71  14.074  -4.318  -2.627
  527   2HB   ASN  71          1HB       ASN  71  15.286  -3.327  -1.818
  528   1HD2  ASN  71          1HD2      ASN  71  14.279  -6.381  -2.183
  529   2HD2  ASN  71          2HD2      ASN  71  14.788  -7.058  -0.677
  530    H    HIS  72           H        HIS  72  12.833  -2.458  -3.577
  531    HA   HIS  72           HA       HIS  72  14.069  -0.037  -3.918
  532   1HB   HIS  72          2HB       HIS  72  11.560  -1.067  -5.249
  533   2HB   HIS  72          1HB       HIS  72  12.479   0.330  -5.806
  534    HD1  HIS  72           1HD      HIS  72  15.215  -0.392  -6.094
  535    HD2  HIS  72           2HD      HIS  72  12.278  -3.283  -6.599
  536    HE1  HIS  72           1HE      HIS  72  16.305  -2.229  -7.418
  537    HE2  HIS  72           2HE      HIS  72  14.481  -3.929  -7.790
  538    H    THR  73           H        THR  73  10.655  -0.550  -2.988
  539    HA   THR  73           HA       THR  73  10.104   2.230  -2.753
  540    HB   THR  73           HB       THR  73   8.156   1.324  -1.316
  541    HG1  THR  73           1HG      THR  73   9.250  -0.684  -0.885
  542   1HG2  THR  73          1HG2      THR  73   7.157   1.616  -3.270
  543   2HG2  THR  73          2HG2      THR  73   7.501  -0.080  -3.605
  544   3HG2  THR  73          3HG2      THR  73   8.612   1.173  -4.160
  545    H    GLN  74           H        GLN  74  10.568  -0.212  -0.204
  546    HA   GLN  74           HA       GLN  74  10.581   1.497   1.983
  547   1HB   GLN  74          2HB       GLN  74  12.020  -1.140   1.641
  548   2HB   GLN  74          1HB       GLN  74  11.772  -0.323   3.175
  549   1HG   GLN  74          2HG       GLN  74   9.557  -1.260   1.372
  550   2HG   GLN  74          1HG       GLN  74  10.192  -2.177   2.736
  551   1HE2  GLN  74          1HE2      GLN  74  10.435   0.930   3.687
  552   2HE2  GLN  74          2HE2      GLN  74   8.916   1.122   4.482
  553    H    ARG  75           H        ARG  75  12.949   1.118  -0.450
  554    HA   ARG  75           HA       ARG  75  15.215   1.893   1.155
  555   1HB   ARG  75          2HB       ARG  75  14.728   1.661  -1.805
  556   2HB   ARG  75          1HB       ARG  75  16.181   2.434  -1.193
  557   1HG   ARG  75          2HG       ARG  75  16.899   0.433  -0.135
  558   2HG   ARG  75          1HG       ARG  75  15.355  -0.357  -0.463
  559   1HD   ARG  75          2HD       ARG  75  16.971  -1.137  -2.045
  560   2HD   ARG  75          1HD       ARG  75  15.806  -0.126  -2.888
  561    HE   ARG  75           HE       ARG  75  17.547   1.198  -3.500
  562   1HH1  ARG  75          1HH1      ARG  75  18.422  -0.417  -0.536
  563   2HH1  ARG  75          2HH1      ARG  75  20.002   0.290  -0.467
  564   1HH2  ARG  75          1HH2      ARG  75  19.624   2.130  -3.416
  565   2HH2  ARG  75          2HH2      ARG  75  20.685   1.737  -2.104
  566    H    ILE  76           H        ILE  76  13.013   3.379  -1.101
  567    HA   ILE  76           HA       ILE  76  14.025   5.970  -1.121
  568    HB   ILE  76           HB       ILE  76  11.141   5.103  -1.313
  569   1HG1  ILE  76          2HG1      ILE  76  12.559   4.020  -2.985
  570   2HG1  ILE  76          1HG1      ILE  76  11.514   5.216  -3.747
  571   1HG2  ILE  76          1HG2      ILE  76  12.509   7.713  -1.842
  572   2HG2  ILE  76          2HG2      ILE  76  11.040   7.394  -0.917
  573   3HG2  ILE  76          3HG2      ILE  76  11.018   7.279  -2.678
  574   1HD1  ILE  76          1HD1      ILE  76  13.744   6.687  -3.241
  575   2HD1  ILE  76          2HD1      ILE  76  13.387   5.875  -4.766
  576   3HD1  ILE  76          3HD1      ILE  76  14.428   5.097  -3.574
  577    H    GLU  77           H        GLU  77  11.253   4.774   0.820
  578    HA   GLU  77           HA       GLU  77  11.061   7.065   2.397
  579   1HB   GLU  77          2HB       GLU  77   9.637   5.823   3.875
  580   2HB   GLU  77          1HB       GLU  77   9.273   5.364   2.223
  581   1HG   GLU  77          2HG       GLU  77   9.184   3.425   3.570
  582   2HG   GLU  77          1HG       GLU  77  10.618   3.301   2.566
  583    H    LEU  78           H        LEU  78  13.338   4.511   2.504
  584    HA   LEU  78           HA       LEU  78  14.115   4.824   5.239
  585   1HB   LEU  78          2HB       LEU  78  14.607   2.758   4.069
  586   2HB   LEU  78          1HB       LEU  78  15.557   3.623   2.875
  587    HG   LEU  78           HG       LEU  78  17.209   4.199   4.606
  588   1HD1  LEU  78          1HD1      LEU  78  16.422   4.242   6.701
  589   2HD1  LEU  78          2HD1      LEU  78  16.775   2.515   6.699
  590   3HD1  LEU  78          3HD1      LEU  78  15.141   3.082   6.353
  591   1HD2  LEU  78          1HD2      LEU  78  17.781   1.673   5.141
  592   2HD2  LEU  78          2HD2      LEU  78  17.942   2.337   3.515
  593   3HD2  LEU  78          3HD2      LEU  78  16.518   1.388   3.943
  594    H    GLN  79           H        GLN  79  14.995   6.272   2.191
  595    HA   GLN  79           HA       GLN  79  16.955   7.989   3.559
  596   1HB   GLN  79          2HB       GLN  79  16.676   7.427   0.601
  597   2HB   GLN  79          1HB       GLN  79  17.923   8.411   1.353
  598   1HG   GLN  79          2HG       GLN  79  18.767   6.443   2.529
  599   2HG   GLN  79          1HG       GLN  79  17.517   5.458   1.770
  600   1HE2  GLN  79          1HE2      GLN  79  20.669   6.280   1.611
  601   2HE2  GLN  79          2HE2      GLN  79  20.977   5.970  -0.060
  602    H    GLN  80           H        GLN  80  13.839   7.956   2.703
  603    HA   GLN  80           HA       GLN  80  13.721  10.682   1.661
  604   1HB   GLN  80          2HB       GLN  80  12.348   8.910   0.572
  605   2HB   GLN  80          1HB       GLN  80  11.488   8.677   2.087
  606   1HG   GLN  80          2HG       GLN  80  11.540  11.269   0.562
  607   2HG   GLN  80          1HG       GLN  80  10.280  10.048   0.406
  608   1HE2  GLN  80          1HE2      GLN  80  10.917  12.902   1.756
  609   2HE2  GLN  80          2HE2      GLN  80   9.920  12.820   3.163
  610    H    GLY  81           H        GLY  81  12.635   8.723   4.405
  611   1HA   GLY  81          2HA       GLY  81  11.682  11.126   5.780
  612   2HA   GLY  81          1HA       GLY  81  11.436   9.466   6.303
  613    H    ARG  82           H        ARG  82  14.500  10.876   5.313
  614    HA   ARG  82           HA       ARG  82  16.429  11.345   6.425
  615   1HB   ARG  82          2HB       ARG  82  14.696  11.186   8.899
  616   2HB   ARG  82          1HB       ARG  82  16.382  11.683   8.894
  617   1HG   ARG  82          2HG       ARG  82  14.153  13.085   7.431
  618   2HG   ARG  82          1HG       ARG  82  14.838  13.586   8.978
  619   1HD   ARG  82          2HD       ARG  82  17.033  13.850   7.898
  620   2HD   ARG  82          1HD       ARG  82  16.317  13.391   6.354
  621    HE   ARG  82           HE       ARG  82  14.869  15.548   7.392
  622   1HH1  ARG  82          1HH1      ARG  82  18.039  14.845   6.129
  623   2HH1  ARG  82          2HH1      ARG  82  18.301  16.451   5.536
  624   1HH2  ARG  82          1HH2      ARG  82  15.204  17.666   6.613
  625   2HH2  ARG  82          2HH2      ARG  82  16.689  18.055   5.811
  626    H    VAL  83           H        VAL  83  18.149  10.189   7.328
  627    HA   VAL  83           HA       VAL  83  17.837   7.350   7.252
  628    HB   VAL  83           HB       VAL  83  20.250   8.930   8.153
  629   1HG1  VAL  83          1HG1      VAL  83  20.906   6.503   6.838
  630   2HG1  VAL  83          2HG1      VAL  83  19.711   6.143   8.083
  631   3HG1  VAL  83          3HG1      VAL  83  21.211   6.963   8.513
  632   1HG2  VAL  83          1HG2      VAL  83  19.034   8.714   5.569
  633   2HG2  VAL  83          2HG2      VAL  83  20.613   7.927   5.549
  634   3HG2  VAL  83          3HG2      VAL  83  20.473   9.614   6.050
  635    H    ARG  84           H        ARG  84  16.220   7.255   8.996
  636    HA   ARG  84           HA       ARG  84  17.533   6.739  11.552
  637   1HB   ARG  84          2HB       ARG  84  15.047   8.440  11.266
  638   2HB   ARG  84          1HB       ARG  84  15.697   7.858  12.789
  639   1HG   ARG  84          2HG       ARG  84  17.129   9.703  10.888
  640   2HG   ARG  84          1HG       ARG  84  16.264  10.203  12.343
  641   1HD   ARG  84          2HD       ARG  84  17.783   8.863  13.710
  642   2HD   ARG  84          1HD       ARG  84  18.638   8.342  12.259
  643    HE   ARG  84           HE       ARG  84  19.828  10.271  12.390
  644   1HH1  ARG  84          1HH1      ARG  84  16.756  10.804  13.953
  645   2HH1  ARG  84          2HH1      ARG  84  17.119  12.441  14.386
  646   1HH2  ARG  84          1HH2      ARG  84  20.307  12.423  12.958
  647   2HH2  ARG  84          2HH2      ARG  84  19.134  13.361  13.821
  648    H    LYS  85           H        LYS  85  16.144   5.334   9.202
  649    HA   LYS  85           HA       LYS  85  14.853   3.494   8.871
  650   1HB   LYS  85          2HB       LYS  85  15.127   3.218  11.870
  651   2HB   LYS  85          1HB       LYS  85  14.524   1.967  10.792
  652   1HG   LYS  85          2HG       LYS  85  17.289   3.159  10.680
  653   2HG   LYS  85          1HG       LYS  85  16.871   1.623  11.439
  654   1HD   LYS  85          2HD       LYS  85  16.464   2.289   8.522
  655   2HD   LYS  85          1HD       LYS  85  17.806   1.343   9.169
  656   1HE   LYS  85          2HE       LYS  85  16.218  -0.316  10.021
  657   2HE   LYS  85          1HE       LYS  85  14.881   0.631   9.371
  658   1HZ   LYS  85          1HZ       LYS  85  16.800   0.121   7.353
  659   2HZ   LYS  85          2HZ       LYS  85  15.163  -0.306   7.399
  660   3HZ   LYS  85          3HZ       LYS  85  16.324  -1.334   8.074
  661    H    ALA  86           H        ALA  86  13.047   4.616   8.155
  662    HA   ALA  86           HA       ALA  86  10.832   5.157   8.094
  663   1HB   ALA  86          1HB       ALA  86   9.739   4.364  10.508
  664   2HB   ALA  86          2HB       ALA  86  11.015   3.188  10.191
  665   3HB   ALA  86          3HB       ALA  86   9.741   3.452   8.999
  666    H    GLU  87           H        GLU  87  12.993   6.521  10.018
  667    HA   GLU  87           HA       GLU  87  13.108   8.497  11.137
  668   1HB   GLU  87          2HB       GLU  87  11.468   9.101   9.218
  669   2HB   GLU  87          1HB       GLU  87  10.230   9.032  10.466
  670   1HG   GLU  87          2HG       GLU  87  12.679  10.728  10.602
  671   2HG   GLU  87          1HG       GLU  87  11.118  11.301  10.024
  672    H    ARG  88           H        ARG  88  13.266   8.248  13.276
  673    HA   ARG  88           HA       ARG  88  10.873   7.417  14.775
  674   1HB   ARG  88          2HB       ARG  88  13.788   7.213  15.551
  675   2HB   ARG  88          1HB       ARG  88  12.432   6.692  16.543
  676   1HG   ARG  88          2HG       ARG  88  11.817   5.052  14.830
  677   2HG   ARG  88          1HG       ARG  88  13.202   5.561  13.862
  678   1HD   ARG  88          2HD       ARG  88  13.306   4.357  16.625
  679   2HD   ARG  88          1HD       ARG  88  13.706   3.533  15.119
  680    HE   ARG  88           HE       ARG  88  15.295   5.823  15.307
  681   1HH1  ARG  88          1HH1      ARG  88  14.867   2.766  16.926
  682   2HH1  ARG  88          2HH1      ARG  88  16.520   2.655  17.430
  683   1HH2  ARG  88          1HH2      ARG  88  17.474   5.685  15.970
  684   2HH2  ARG  88          2HH2      ARG  88  18.002   4.314  16.888
  685    H    TRP  89           H        TRP  89   9.878   9.301  15.262
  686    HA   TRP  89           HA       TRP  89  10.811  10.854  17.407
  687   1HB   TRP  89          2HB       TRP  89  12.337  11.815  15.738
  688   2HB   TRP  89          1HB       TRP  89  10.969  12.213  14.705
  689    HD1  TRP  89           HD       TRP  89  10.685  14.747  14.760
  690    HE1  TRP  89           1HE      TRP  89  10.667  16.571  16.577
  691    HE3  TRP  89           3HE      TRP  89  11.836  11.862  18.824
  692    HZ2  TRP  89           2HZ      TRP  89  11.086  16.762  19.360
  693    HZ3  TRP  89           3HZ      TRP  89  12.009  12.944  21.026
  694    HH2  TRP  89           HH       TRP  89  11.642  15.343  21.288
  695    H    GLY  90           H        GLY  90   8.661  10.216  14.818
  696   1HA   GLY  90          2HA       GLY  90   6.299  10.512  16.099
  697   2HA   GLY  90          1HA       GLY  90   6.661  12.153  15.580
  698    HA   PRO  91           HA       PRO  91   4.664  10.864  11.805
  699   1HB   PRO  91          2HB       PRO  91   4.877  13.165  10.438
  700   2HB   PRO  91          1HB       PRO  91   3.788  13.016  11.826
  701   1HG   PRO  91          2HG       PRO  91   6.521  14.235  11.683
  702   2HG   PRO  91          1HG       PRO  91   5.068  14.837  12.504
  703   1HD   PRO  91          2HD       PRO  91   7.093  13.504  13.778
  704   2HD   PRO  91          1HD       PRO  91   5.412  13.512  14.342
  705    H    ARG  92           H        ARG  92   5.512  12.077   9.332
  706    HA   ARG  92           HA       ARG  92   6.938  11.686   7.594
  707   1HB   ARG  92          2HB       ARG  92   8.392  13.111   9.120
  708   2HB   ARG  92          1HB       ARG  92   9.131  11.614   9.669
  709   1HG   ARG  92          2HG       ARG  92   9.867  11.137   7.390
  710   2HG   ARG  92          1HG       ARG  92   9.127  12.642   6.840
  711   1HD   ARG  92          2HD       ARG  92  10.592  13.845   8.485
  712   2HD   ARG  92          1HD       ARG  92  11.427  12.317   8.756
  713    HE   ARG  92           HE       ARG  92  12.597  12.729   6.854
  714   1HH1  ARG  92          1HH1      ARG  92   9.553  14.412   6.631
  715   2HH1  ARG  92          2HH1      ARG  92   9.912  15.125   5.094
  716   1HH2  ARG  92          1HH2      ARG  92  13.081  13.674   4.834
  717   2HH2  ARG  92          2HH2      ARG  92  11.915  14.706   4.073
  718    H    THR  93           H        THR  93   6.221   9.625   7.019
  719    HA   THR  93           HA       THR  93   8.107   7.512   7.329
  720    HB   THR  93           HB       THR  93   5.414   7.131   8.665
  721    HG1  THR  93           1HG      THR  93   6.481   7.218  10.573
  722   1HG2  THR  93          1HG2      THR  93   6.097   4.997   9.332
  723   2HG2  THR  93          2HG2      THR  93   7.765   5.282   8.834
  724   3HG2  THR  93          3HG2      THR  93   6.502   5.095   7.618
  725    H    LEU  94           H        LEU  94   7.338   5.490   6.287
  726    HA   LEU  94           HA       LEU  94   5.085   5.681   4.489
  727   1HB   LEU  94          2HB       LEU  94   7.112   6.860   3.432
  728   2HB   LEU  94          1HB       LEU  94   7.823   5.267   3.314
  729    HG   LEU  94           HG       LEU  94   5.187   5.967   2.048
  730   1HD1  LEU  94          1HD1      LEU  94   7.497   5.697   0.294
  731   2HD1  LEU  94          2HD1      LEU  94   7.575   7.103   1.355
  732   3HD1  LEU  94          3HD1      LEU  94   6.194   6.884   0.281
  733   1HD2  LEU  94          1HD2      LEU  94   6.502   3.534   2.454
  734   2HD2  LEU  94          2HD2      LEU  94   6.762   3.942   0.757
  735   3HD2  LEU  94          3HD2      LEU  94   5.122   3.844   1.399
  736    H    ASP  95           H        ASP  95   4.444   3.604   3.761
  737    HA   ASP  95           HA       ASP  95   6.121   1.318   4.381
  738   1HB   ASP  95          2HB       ASP  95   3.424   1.685   5.707
  739   2HB   ASP  95          1HB       ASP  95   4.393   0.219   5.764
  740    H    LEU  96           H        LEU  96   5.737  -0.366   3.060
  741    HA   LEU  96           HA       LEU  96   3.232  -0.374   1.553
  742   1HB   LEU  96          2HB       LEU  96   4.683  -1.084  -0.474
  743   2HB   LEU  96          1HB       LEU  96   4.484   0.607  -0.088
  744    HG   LEU  96           HG       LEU  96   6.755   0.175  -0.727
  745   1HD1  LEU  96          1HD1      LEU  96   7.734   1.478   0.797
  746   2HD1  LEU  96          2HD1      LEU  96   7.197   0.488   2.155
  747   3HD1  LEU  96          3HD1      LEU  96   6.081   1.625   1.397
  748   1HD2  LEU  96          1HD2      LEU  96   8.156  -1.431   0.162
  749   2HD2  LEU  96          2HD2      LEU  96   6.605  -2.270   0.092
  750   3HD2  LEU  96          3HD2      LEU  96   7.183  -1.613   1.623
  751    H    ASP  97           H        ASP  97   2.311  -2.261   1.281
  752    HA   ASP  97           HA       ASP  97   3.839  -4.739   1.452
  753   1HB   ASP  97          2HB       ASP  97   1.513  -4.110   3.299
  754   2HB   ASP  97          1HB       ASP  97   2.240  -5.701   3.110
  755    H    ILE  98           H        ILE  98   3.069  -6.247   0.149
  756    HA   ILE  98           HA       ILE  98   0.951  -5.545  -1.642
  757    HB   ILE  98           HB       ILE  98   1.514  -7.683  -2.762
  758   1HG1  ILE  98          2HG1      ILE  98   3.761  -8.681  -1.803
  759   2HG1  ILE  98          1HG1      ILE  98   3.158  -8.024  -0.288
  760   1HG2  ILE  98          1HG2      ILE  98   3.430  -6.859  -3.722
  761   2HG2  ILE  98          2HG2      ILE  98   4.104  -6.327  -2.182
  762   3HG2  ILE  98          3HG2      ILE  98   2.798  -5.412  -2.934
  763   1HD1  ILE  98          1HD1      ILE  98   2.117 -10.263  -1.937
  764   2HD1  ILE  98          2HD1      ILE  98   0.982  -9.322  -0.967
  765   3HD1  ILE  98          3HD1      ILE  98   2.334 -10.145  -0.190
  766    H    MET  99           H        MET  99  -1.000  -6.520  -1.965
  767    HA   MET  99           HA       MET  99  -1.934  -8.355   0.129
  768   1HB   MET  99          2HB       MET  99  -3.655  -6.579  -1.612
  769   2HB   MET  99          1HB       MET  99  -4.156  -7.496  -0.202
  770   1HG   MET  99          2HG       MET  99  -2.212  -5.210  -0.105
  771   2HG   MET  99          1HG       MET  99  -3.953  -5.039   0.142
  772   1HE   MET  99          1HE       MET  99  -1.769  -4.041   2.189
  773   2HE   MET  99          2HE       MET  99  -2.394  -4.604   3.738
  774   3HE   MET  99          3HE       MET  99  -3.489  -3.897   2.550
  775    H    LEU 100           H        LEU 100  -0.791  -8.135  -2.900
  776    HA   LEU 100           HA       LEU 100  -1.757 -10.699  -3.691
  777   1HB   LEU 100          2HB       LEU 100  -3.753  -9.430  -4.238
  778   2HB   LEU 100          1HB       LEU 100  -2.803  -8.279  -5.160
  779    HG   LEU 100           HG       LEU 100  -2.168 -10.158  -6.685
  780   1HD1  LEU 100          1HD1      LEU 100  -4.493 -11.749  -5.981
  781   2HD1  LEU 100          2HD1      LEU 100  -3.265 -11.739  -4.715
  782   3HD1  LEU 100          3HD1      LEU 100  -2.845 -12.255  -6.348
  783   1HD2  LEU 100          1HD2      LEU 100  -3.729  -9.207  -7.935
  784   2HD2  LEU 100          2HD2      LEU 100  -4.610  -8.695  -6.497
  785   3HD2  LEU 100          3HD2      LEU 100  -4.927 -10.278  -7.208
  786    H    PHE 101           H        PHE 101  -0.722 -11.486  -5.643
  787    HA   PHE 101           HA       PHE 101   1.367  -9.717  -6.725
  788   1HB   PHE 101          2HB       PHE 101   2.416 -11.138  -5.011
  789   2HB   PHE 101          1HB       PHE 101   1.822 -12.574  -5.837
  790    HD1  PHE 101           1HD      PHE 101   3.571 -13.722  -6.781
  791    HD2  PHE 101           2HD      PHE 101   3.535  -9.472  -7.012
  792    HE1  PHE 101           1HE      PHE 101   5.621 -13.783  -8.139
  793    HE2  PHE 101           2HE      PHE 101   5.586  -9.526  -8.372
  794    HZ   PHE 101           HZ       PHE 101   6.630 -11.692  -8.937
  795    H    GLY 102           H        GLY 102   0.089  -9.496  -8.598
  796   1HA   GLY 102          2HA       GLY 102  -0.425  -9.986 -10.779
  797   2HA   GLY 102          1HA       GLY 102   0.605 -11.400 -10.631
  798    H    ASN 103           H        ASN 103  -1.507 -11.646  -8.193
  799    HA   ASN 103           HA       ASN 103  -3.491 -12.699  -7.793
  800   1HB   ASN 103          2HB       ASN 103  -3.797 -12.725 -10.810
  801   2HB   ASN 103          1HB       ASN 103  -4.998 -13.352  -9.684
  802   1HD2  ASN 103          1HD2      ASN 103  -6.486 -12.041  -8.973
  803   2HD2  ASN 103          2HD2      ASN 103  -6.453 -10.321  -9.069
  804    H    GLU 104           H        GLU 104  -0.988 -13.695  -7.860
  805    HA   GLU 104           HA       GLU 104  -1.236 -16.439  -8.863
  806   1HB   GLU 104          2HB       GLU 104   0.705 -14.599  -9.264
  807   2HB   GLU 104          1HB       GLU 104   1.321 -15.375  -7.815
  808   1HG   GLU 104          2HG       GLU 104   0.497 -16.942 -10.223
  809   2HG   GLU 104          1HG       GLU 104   2.096 -16.222 -10.065
  810    H    VAL 105           H        VAL 105  -1.159 -18.129  -7.414
  811    HA   VAL 105           HA       VAL 105  -1.509 -17.476  -4.630
  812    HB   VAL 105           HB       VAL 105  -1.257 -20.230  -5.857
  813   1HG1  VAL 105          1HG1      VAL 105  -2.713 -20.783  -3.825
  814   2HG1  VAL 105          2HG1      VAL 105  -2.204 -19.214  -3.200
  815   3HG1  VAL 105          3HG1      VAL 105  -1.002 -20.456  -3.547
  816   1HG2  VAL 105          1HG2      VAL 105  -3.660 -20.291  -6.014
  817   2HG2  VAL 105          2HG2      VAL 105  -3.062 -18.892  -6.907
  818   3HG2  VAL 105          3HG2      VAL 105  -3.784 -18.677  -5.312
  819    H    ILE 106           H        ILE 106   0.412 -16.632  -3.956
  820    HA   ILE 106           HA       ILE 106   2.542 -18.567  -3.503
  821    HB   ILE 106           HB       ILE 106   3.314 -17.642  -5.508
  822   1HG1  ILE 106          2HG1      ILE 106   4.585 -16.037  -3.283
  823   2HG1  ILE 106          1HG1      ILE 106   5.074 -17.642  -3.829
  824   1HG2  ILE 106          1HG2      ILE 106   2.712 -14.871  -4.508
  825   2HG2  ILE 106          2HG2      ILE 106   1.648 -15.806  -5.559
  826   3HG2  ILE 106          3HG2      ILE 106   3.252 -15.338  -6.121
  827   1HD1  ILE 106          1HD1      ILE 106   6.317 -16.792  -5.455
  828   2HD1  ILE 106          2HD1      ILE 106   6.057 -15.210  -4.718
  829   3HD1  ILE 106          3HD1      ILE 106   4.994 -15.765  -6.016
  830    H    ASN 107           H        ASN 107   2.408 -18.554  -1.343
  831    HA   ASN 107           HA       ASN 107   2.453 -15.967   0.051
  832   1HB   ASN 107          2HB       ASN 107   1.410 -18.672   0.797
  833   2HB   ASN 107          1HB       ASN 107   1.903 -17.557   2.067
  834   1HD2  ASN 107          1HD2      ASN 107   1.049 -15.417  -0.047
  835   2HD2  ASN 107          2HD2      ASN 107  -0.644 -15.278   0.249
  836    H    THR 108           H        THR 108   4.023 -15.422   1.419
  837    HA   THR 108           HA       THR 108   5.986 -17.334   2.332
  838    HB   THR 108           HB       THR 108   6.891 -16.771   0.144
  839    HG1  THR 108           1HG      THR 108   8.671 -16.892   1.228
  840   1HG2  THR 108          1HG2      THR 108   5.774 -14.534  -0.049
  841   2HG2  THR 108          2HG2      THR 108   7.458 -14.601  -0.570
  842   3HG2  THR 108          3HG2      THR 108   7.046 -13.900   0.996
  843    H    GLU 109           H        GLU 109   7.862 -15.792   3.427
  844    HA   GLU 109           HA       GLU 109   6.361 -14.337   5.425
  845   1HB   GLU 109          2HB       GLU 109   8.612 -14.168   6.558
  846   2HB   GLU 109          1HB       GLU 109   8.020 -15.801   6.292
  847   1HG   GLU 109          2HG       GLU 109  10.248 -15.947   5.705
  848   2HG   GLU 109          1HG       GLU 109   9.440 -15.746   4.153
  849    H    ARG 110           H        ARG 110   7.431 -13.441   2.510
  850    HA   ARG 110           HA       ARG 110   8.109 -10.732   3.448
  851   1HB   ARG 110          2HB       ARG 110   9.977 -11.844   2.248
  852   2HB   ARG 110          1HB       ARG 110   8.948 -11.990   0.829
  853   1HG   ARG 110          2HG       ARG 110  10.443 -10.104   0.587
  854   2HG   ARG 110          1HG       ARG 110   8.776  -9.540   0.726
  855   1HD   ARG 110          2HD       ARG 110   9.129  -8.995   3.067
  856   2HD   ARG 110          1HD       ARG 110  10.770  -9.633   2.990
  857    HE   ARG 110           HE       ARG 110  10.524  -7.652   1.042
  858   1HH1  ARG 110          1HH1      ARG 110  10.473  -7.940   4.516
  859   2HH1  ARG 110          2HH1      ARG 110  11.102  -6.348   4.784
  860   1HH2  ARG 110          1HH2      ARG 110  11.356  -5.556   1.389
  861   2HH2  ARG 110          2HH2      ARG 110  11.603  -4.996   3.009
  862    H    LEU 111           H        LEU 111   6.087 -12.689   1.392
  863    HA   LEU 111           HA       LEU 111   4.376 -10.394   1.005
  864   1HB   LEU 111          2HB       LEU 111   4.283 -10.445  -1.366
  865   2HB   LEU 111          1HB       LEU 111   5.958 -10.285  -0.888
  866    HG   LEU 111           HG       LEU 111   5.183 -13.069  -1.317
  867   1HD1  LEU 111          1HD1      LEU 111   4.392 -13.043  -3.406
  868   2HD1  LEU 111          2HD1      LEU 111   5.441 -11.712  -3.892
  869   3HD1  LEU 111          3HD1      LEU 111   3.930 -11.380  -3.048
  870   1HD2  LEU 111          1HD2      LEU 111   7.248 -11.484  -2.796
  871   2HD2  LEU 111          2HD2      LEU 111   7.281 -13.182  -2.318
  872   3HD2  LEU 111          3HD2      LEU 111   7.489 -11.919  -1.105
  873    H    THR 112           H        THR 112   2.582 -11.202   1.826
  874    HA   THR 112           HA       THR 112   1.725 -13.898   1.107
  875    HB   THR 112           HB       THR 112   1.467 -13.334   3.438
  876    HG1  THR 112           1HG      THR 112  -0.278 -14.466   3.178
  877   1HG2  THR 112          1HG2      THR 112  -0.282 -11.534   4.016
  878   2HG2  THR 112          2HG2      THR 112   0.117 -10.870   2.432
  879   3HG2  THR 112          3HG2      THR 112   1.373 -11.043   3.658
  880    H    VAL 113           H        VAL 113   0.673 -14.071  -0.800
  881    HA   VAL 113           HA       VAL 113  -0.409 -11.807  -2.120
  882    HB   VAL 113           HB       VAL 113  -0.481 -14.754  -2.721
  883   1HG1  VAL 113          1HG1      VAL 113  -2.261 -14.439  -4.035
  884   2HG1  VAL 113          2HG1      VAL 113  -1.250 -13.387  -5.026
  885   3HG1  VAL 113          3HG1      VAL 113  -2.243 -12.701  -3.742
  886   1HG2  VAL 113          1HG2      VAL 113   0.771 -13.705  -4.769
  887   2HG2  VAL 113          2HG2      VAL 113   1.608 -14.002  -3.246
  888   3HG2  VAL 113          3HG2      VAL 113   1.045 -12.378  -3.641
  889    HA   PRO 114           HA       PRO 114  -4.884 -13.676  -1.309
  890   1HB   PRO 114          2HB       PRO 114  -3.963 -15.503   0.893
  891   2HB   PRO 114          1HB       PRO 114  -5.369 -15.639  -0.156
  892   1HG   PRO 114          2HG       PRO 114  -3.270 -17.118  -0.671
  893   2HG   PRO 114          1HG       PRO 114  -4.105 -16.288  -2.005
  894   1HD   PRO 114          2HD       PRO 114  -1.528 -15.597  -0.663
  895   2HD   PRO 114          1HD       PRO 114  -1.996 -15.454  -2.370
  896    H    HIS 115           H        HIS 115  -2.308 -13.349   1.021
  897    HA   HIS 115           HA       HIS 115  -1.961 -12.037   2.831
  898   1HB   HIS 115          2HB       HIS 115  -2.592 -10.293   1.141
  899   2HB   HIS 115          1HB       HIS 115  -4.230 -10.353   1.772
  900    HD1  HIS 115           1HD      HIS 115  -0.717  -9.563   2.972
  901    HD2  HIS 115           2HD      HIS 115  -4.674  -8.706   3.885
  902    HE1  HIS 115           1HE      HIS 115  -0.623  -7.849   4.808
  903    HE2  HIS 115           2HE      HIS 115  -3.031  -7.412   5.406
  904    H    TYR 116           H        TYR 116  -2.485 -12.065   4.914
  905    HA   TYR 116           HA       TYR 116  -5.240 -12.841   5.604
  906   1HB   TYR 116          2HB       TYR 116  -3.645 -14.567   6.234
  907   2HB   TYR 116          1HB       TYR 116  -2.640 -13.384   7.062
  908    HD1  TYR 116           1HD      TYR 116  -2.677 -13.745   9.334
  909    HD2  TYR 116           2HD      TYR 116  -6.309 -14.147   7.151
  910    HE1  TYR 116           1HE      TYR 116  -3.886 -14.174  11.433
  911    HE2  TYR 116           2HE      TYR 116  -7.525 -14.575   9.245
  912    HH   TYR 116           HH       TYR 116  -7.232 -15.176  11.457
  913    H    ASP 117           H        ASP 117  -6.192 -10.945   5.947
  914    HA   ASP 117           HA       ASP 117  -6.694  -9.566   7.964
  915   1HB   ASP 117          2HB       ASP 117  -3.818  -8.849   7.535
  916   2HB   ASP 117          1HB       ASP 117  -4.919  -7.684   8.257
  917    H    MET 118           H        MET 118  -5.963  -9.381   4.690
  918    HA   MET 118           HA       MET 118  -6.258  -6.670   4.098
  919   1HB   MET 118          2HB       MET 118  -7.595  -7.631   1.999
  920   2HB   MET 118          1HB       MET 118  -5.835  -7.835   2.130
  921   1HG   MET 118          2HG       MET 118  -6.112 -10.093   2.887
  922   2HG   MET 118          1HG       MET 118  -7.858  -9.888   3.028
  923   1HE   MET 118          1HE       MET 118  -4.923 -10.194   0.006
  924   2HE   MET 118          2HE       MET 118  -5.409  -8.586   0.539
  925   3HE   MET 118          3HE       MET 118  -5.944  -9.194  -1.028
  926    H    LYS 119           H        LYS 119  -8.724  -9.174   4.398
  927    HA   LYS 119           HA       LYS 119 -11.018  -7.679   4.047
  928   1HB   LYS 119          2HB       LYS 119 -10.852  -9.829   6.140
  929   2HB   LYS 119          1HB       LYS 119 -12.176  -9.464   5.044
  930   1HG   LYS 119          2HG       LYS 119 -10.863 -10.320   3.170
  931   2HG   LYS 119          1HG       LYS 119  -9.533 -10.684   4.272
  932   1HD   LYS 119          2HD       LYS 119 -10.980 -12.232   5.500
  933   2HD   LYS 119          1HD       LYS 119 -12.306 -11.870   4.393
  934   1HE   LYS 119          2HE       LYS 119 -11.212 -13.962   3.788
  935   2HE   LYS 119          1HE       LYS 119 -10.995 -12.746   2.528
  936   1HZ   LYS 119          1HZ       LYS 119  -8.776 -12.445   3.097
  937   2HZ   LYS 119          2HZ       LYS 119  -8.981 -14.120   3.224
  938   3HZ   LYS 119          3HZ       LYS 119  -8.950 -13.164   4.619
  939    H    ASN 120           H        ASN 120  -8.812  -7.704   6.687
  940    HA   ASN 120           HA       ASN 120 -10.627  -6.566   8.618
  941   1HB   ASN 120          2HB       ASN 120  -8.526  -8.108   8.957
  942   2HB   ASN 120          1HB       ASN 120  -7.655  -6.578   8.944
  943   1HD2  ASN 120          1HD2      ASN 120  -8.871  -8.786  10.873
  944   2HD2  ASN 120          2HD2      ASN 120  -9.273  -7.845  12.267
  945    H    ARG 121           H        ARG 121  -9.552  -5.164   5.981
  946    HA   ARG 121           HA       ARG 121  -9.542  -2.555   7.198
  947   1HB   ARG 121          2HB       ARG 121  -7.358  -1.887   6.163
  948   2HB   ARG 121          1HB       ARG 121  -7.243  -2.985   7.529
  949   1HG   ARG 121          2HG       ARG 121  -6.813  -4.843   6.075
  950   2HG   ARG 121          1HG       ARG 121  -7.110  -3.847   4.649
  951   1HD   ARG 121          2HD       ARG 121  -4.704  -4.196   5.104
  952   2HD   ARG 121          1HD       ARG 121  -5.173  -2.498   5.127
  953    HE   ARG 121           HE       ARG 121  -4.414  -2.419   7.267
  954   1HH1  ARG 121          1HH1      ARG 121  -5.337  -5.710   6.580
  955   2HH1  ARG 121          2HH1      ARG 121  -4.875  -6.299   8.141
  956   1HH2  ARG 121          1HH2      ARG 121  -3.803  -3.191   9.323
  957   2HH2  ARG 121          2HH2      ARG 121  -4.005  -4.870   9.699
  958    H    GLY 122           H        GLY 122 -10.929  -1.505   6.020
  959   1HA   GLY 122          2HA       GLY 122 -11.223  -1.926   3.134
  960   2HA   GLY 122          1HA       GLY 122 -12.177  -0.852   4.167
  961    H    PHE 123           H        PHE 123  -8.980  -0.445   4.879
  962    HA   PHE 123           HA       PHE 123  -8.919   2.154   3.696
  963   1HB   PHE 123          2HB       PHE 123  -6.767   0.626   5.176
  964   2HB   PHE 123          1HB       PHE 123  -6.695   2.327   4.745
  965    HD1  PHE 123           1HD      PHE 123  -6.896   3.667   6.611
  966    HD2  PHE 123           2HD      PHE 123  -9.286   0.158   6.321
  967    HE1  PHE 123           1HE      PHE 123  -7.988   4.241   8.737
  968    HE2  PHE 123           2HE      PHE 123 -10.384   0.728   8.447
  969    HZ   PHE 123           HZ       PHE 123  -9.692   2.799   9.673
  970    H    MET 124           H        MET 124  -7.330  -0.949   3.107
  971    HA   MET 124           HA       MET 124  -5.993   0.222   0.772
  972   1HB   MET 124          2HB       MET 124  -5.474  -2.350   2.264
  973   2HB   MET 124          1HB       MET 124  -4.652  -1.897   0.779
  974   1HG   MET 124          2HG       MET 124  -3.226  -1.370   2.606
  975   2HG   MET 124          1HG       MET 124  -3.823   0.143   1.927
  976   1HE   MET 124          1HE       MET 124  -3.574   1.656   4.965
  977   2HE   MET 124          2HE       MET 124  -2.500   0.647   3.997
  978   3HE   MET 124          3HE       MET 124  -2.928   0.160   5.636
  979    H    LEU 125           H        LEU 125  -8.382  -2.169   1.699
  980    HA   LEU 125           HA       LEU 125  -8.432  -3.467  -0.827
  981   1HB   LEU 125          2HB       LEU 125 -10.454  -3.459   1.393
  982   2HB   LEU 125          1HB       LEU 125 -10.461  -4.542   0.021
  983    HG   LEU 125           HG       LEU 125  -8.575  -4.489   2.348
  984   1HD1  LEU 125          1HD1      LEU 125  -9.197  -6.786   2.575
  985   2HD1  LEU 125          2HD1      LEU 125 -10.118  -6.726   1.077
  986   3HD1  LEU 125          3HD1      LEU 125 -10.653  -5.797   2.479
  987   1HD2  LEU 125          1HD2      LEU 125  -6.872  -4.997   1.002
  988   2HD2  LEU 125          2HD2      LEU 125  -7.931  -5.170  -0.399
  989   3HD2  LEU 125          3HD2      LEU 125  -7.698  -6.528   0.703
  990    H    TRP 126           H        TRP 126 -10.188  -0.821   0.616
  991    HA   TRP 126           HA       TRP 126 -12.229  -0.594  -1.316
  992   1HB   TRP 126          2HB       TRP 126 -12.504   0.461   0.811
  993   2HB   TRP 126          1HB       TRP 126 -11.020   1.389   0.612
  994    HD1  TRP 126           HD       TRP 126 -14.487   1.107  -1.022
  995    HE1  TRP 126           1HE      TRP 126 -15.193   3.455  -1.823
  996    HE3  TRP 126           3HE      TRP 126 -10.227   3.600   0.115
  997    HZ2  TRP 126           2HZ      TRP 126 -14.056   6.045  -1.936
  998    HZ3  TRP 126           3HZ      TRP 126 -10.094   6.016  -0.357
  999    HH2  TRP 126           HH       TRP 126 -11.967   7.208  -1.369
 1000    HA   PRO 127           HA       PRO 127  -9.328   2.929  -3.197
 1001   1HB   PRO 127          2HB       PRO 127  -6.654   2.272  -2.894
 1002   2HB   PRO 127          1HB       PRO 127  -7.525   3.453  -1.906
 1003   1HG   PRO 127          2HG       PRO 127  -6.944   0.572  -1.336
 1004   2HG   PRO 127          1HG       PRO 127  -6.810   1.972  -0.253
 1005   1HD   PRO 127          2HD       PRO 127  -8.901   0.361  -0.078
 1006   2HD   PRO 127          1HD       PRO 127  -9.123   2.121   0.032
 1007    H    LEU 128           H        LEU 128  -8.093  -0.395  -2.967
 1008    HA   LEU 128           HA       LEU 128  -7.251  -0.512  -5.688
 1009   1HB   LEU 128          2HB       LEU 128  -6.358  -2.022  -3.955
 1010   2HB   LEU 128          1HB       LEU 128  -7.941  -2.755  -3.785
 1011    HG   LEU 128           HG       LEU 128  -7.840  -3.600  -6.075
 1012   1HD1  LEU 128          1HD1      LEU 128  -5.132  -2.283  -6.144
 1013   2HD1  LEU 128          2HD1      LEU 128  -6.535  -1.889  -7.139
 1014   3HD1  LEU 128          3HD1      LEU 128  -5.719  -3.438  -7.338
 1015   1HD2  LEU 128          1HD2      LEU 128  -5.253  -4.591  -5.288
 1016   2HD2  LEU 128          2HD2      LEU 128  -6.809  -5.418  -5.338
 1017   3HD2  LEU 128          3HD2      LEU 128  -6.345  -4.494  -3.908
 1018    H    PHE 129           H        PHE 129 -10.295  -0.786  -4.093
 1019    HA   PHE 129           HA       PHE 129 -11.558  -2.382  -6.119
 1020   1HB   PHE 129          2HB       PHE 129 -12.333  -2.011  -3.670
 1021   2HB   PHE 129          1HB       PHE 129 -13.049  -0.521  -4.282
 1022    HD1  PHE 129           1HD      PHE 129 -14.842  -0.617  -5.974
 1023    HD2  PHE 129           2HD      PHE 129 -13.310  -4.136  -4.117
 1024    HE1  PHE 129           1HE      PHE 129 -16.819  -1.873  -6.729
 1025    HE2  PHE 129           2HE      PHE 129 -15.280  -5.392  -4.883
 1026    HZ   PHE 129           HZ       PHE 129 -17.037  -4.264  -6.187
 1027    H    GLU 130           H        GLU 130 -10.804   0.951  -5.690
 1028    HA   GLU 130           HA       GLU 130 -12.675   1.902  -7.675
 1029   1HB   GLU 130          2HB       GLU 130 -12.028   3.326  -5.780
 1030   2HB   GLU 130          1HB       GLU 130 -10.356   3.295  -6.321
 1031   1HG   GLU 130          2HG       GLU 130 -11.348   5.375  -6.960
 1032   2HG   GLU 130          1HG       GLU 130 -11.046   4.418  -8.408
 1033    H    ILE 131           H        ILE 131  -9.337   0.896  -7.532
 1034    HA   ILE 131           HA       ILE 131  -8.882   1.776 -10.291
 1035    HB   ILE 131           HB       ILE 131  -6.521   1.185  -9.899
 1036   1HG1  ILE 131          2HG1      ILE 131  -7.431   0.629  -7.064
 1037   2HG1  ILE 131          1HG1      ILE 131  -6.908  -0.590  -8.222
 1038   1HG2  ILE 131          1HG2      ILE 131  -7.858   3.392  -9.083
 1039   2HG2  ILE 131          2HG2      ILE 131  -6.105   3.210  -9.013
 1040   3HG2  ILE 131          3HG2      ILE 131  -7.082   2.900  -7.578
 1041   1HD1  ILE 131          1HD1      ILE 131  -4.892  -0.351  -7.324
 1042   2HD1  ILE 131          2HD1      ILE 131  -5.343   1.146  -6.509
 1043   3HD1  ILE 131          3HD1      ILE 131  -4.808   1.183  -8.189
 1044    H    ALA 132           H        ALA 132  -9.919  -0.932  -8.632
 1045    HA   ALA 132           HA       ALA 132  -9.875  -2.584 -10.937
 1046   1HB   ALA 132          1HB       ALA 132  -7.947  -3.331  -8.740
 1047   2HB   ALA 132          2HB       ALA 132  -7.533  -2.864 -10.389
 1048   3HB   ALA 132          3HB       ALA 132  -8.403  -4.369 -10.091
 1049    HA   PRO 133           HA       PRO 133 -12.933  -3.863  -7.737
 1050   1HB   PRO 133          2HB       PRO 133 -15.169  -3.174  -9.012
 1051   2HB   PRO 133          1HB       PRO 133 -14.167  -1.954  -8.219
 1052   1HG   PRO 133          2HG       PRO 133 -14.436  -2.594 -11.114
 1053   2HG   PRO 133          1HG       PRO 133 -14.172  -1.030 -10.328
 1054   1HD   PRO 133          2HD       PRO 133 -12.206  -2.661 -11.518
 1055   2HD   PRO 133          1HD       PRO 133 -11.922  -1.253 -10.480
 1056    H    GLU 134           H        GLU 134 -11.602  -5.582  -9.683
 1057    HA   GLU 134           HA       GLU 134 -13.731  -7.525 -10.033
 1058   1HB   GLU 134          2HB       GLU 134 -13.192  -7.941 -12.395
 1059   2HB   GLU 134          1HB       GLU 134 -13.805  -6.313 -12.143
 1060   1HG   GLU 134          2HG       GLU 134 -11.534  -5.435 -12.230
 1061   2HG   GLU 134          1HG       GLU 134 -10.907  -7.066 -12.459
 1062    H    LEU 135           H        LEU 135 -10.934  -6.949  -8.753
 1063    HA   LEU 135           HA       LEU 135  -9.044  -8.762  -9.680
 1064   1HB   LEU 135          2HB       LEU 135  -8.903  -7.020  -7.780
 1065   2HB   LEU 135          1HB       LEU 135  -9.523  -8.300  -6.752
 1066    HG   LEU 135           HG       LEU 135  -7.556  -9.703  -7.619
 1067   1HD1  LEU 135          1HD1      LEU 135  -6.075  -8.807  -9.005
 1068   2HD1  LEU 135          2HD1      LEU 135  -5.910  -7.365  -8.002
 1069   3HD1  LEU 135          3HD1      LEU 135  -7.189  -7.456  -9.214
 1070   1HD2  LEU 135          1HD2      LEU 135  -6.429  -9.188  -5.727
 1071   2HD2  LEU 135          2HD2      LEU 135  -7.898  -8.274  -5.387
 1072   3HD2  LEU 135          3HD2      LEU 135  -6.479  -7.451  -6.037
 1073    H    VAL 136           H        VAL 136 -10.676  -9.456  -6.630
 1074    HA   VAL 136           HA       VAL 136 -11.048 -11.517  -5.663
 1075    HB   VAL 136           HB       VAL 136 -13.234 -10.880  -6.413
 1076   1HG1  VAL 136          1HG1      VAL 136 -13.037 -10.382  -8.684
 1077   2HG1  VAL 136          2HG1      VAL 136 -14.061 -11.817  -8.648
 1078   3HG1  VAL 136          3HG1      VAL 136 -12.355 -11.963  -9.067
 1079   1HG2  VAL 136          1HG2      VAL 136 -13.598 -12.905  -5.490
 1080   2HG2  VAL 136          2HG2      VAL 136 -12.416 -13.710  -6.523
 1081   3HG2  VAL 136          3HG2      VAL 136 -14.023 -13.339  -7.145
 1082    H    PHE 137           H        PHE 137  -9.154 -12.693  -5.838
 1083    HA   PHE 137           HA       PHE 137  -9.357 -15.062  -7.383
 1084   1HB   PHE 137          2HB       PHE 137  -8.580 -13.288  -9.073
 1085   2HB   PHE 137          1HB       PHE 137  -7.026 -13.387  -8.249
 1086    HD1  PHE 137           1HD      PHE 137  -5.504 -14.629  -9.411
 1087    HD2  PHE 137           2HD      PHE 137  -9.567 -15.885  -9.380
 1088    HE1  PHE 137           1HE      PHE 137  -4.903 -16.592 -10.767
 1089    HE2  PHE 137           2HE      PHE 137  -8.974 -17.852 -10.732
 1090    HZ   PHE 137           HZ       PHE 137  -6.667 -18.223 -11.417
 1091    HA   PRO 138           HA       PRO 138  -4.883 -14.553  -4.992
 1092   1HB   PRO 138          2HB       PRO 138  -6.088 -13.362  -2.624
 1093   2HB   PRO 138          1HB       PRO 138  -4.665 -12.839  -3.526
 1094   1HG   PRO 138          2HG       PRO 138  -7.436 -11.887  -3.703
 1095   2HG   PRO 138          1HG       PRO 138  -5.945 -11.112  -4.264
 1096   1HD   PRO 138          2HD       PRO 138  -7.766 -12.106  -5.985
 1097   2HD   PRO 138          1HD       PRO 138  -6.021 -12.176  -6.321
 1098    H    ASP 139           H        ASP 139  -7.968 -14.616  -3.259
 1099    HA   ASP 139           HA       ASP 139  -7.467 -17.413  -2.501
 1100   1HB   ASP 139          2HB       ASP 139  -7.135 -15.881  -0.564
 1101   2HB   ASP 139          1HB       ASP 139  -8.782 -15.299  -0.771
 1102    H    GLY 140           H        GLY 140  -9.440 -15.084  -3.925
 1103   1HA   GLY 140          2HA       GLY 140 -11.218 -15.962  -5.380
 1104   2HA   GLY 140          1HA       GLY 140 -11.722 -16.964  -4.025
 1105    H    GLU 141           H        GLU 141 -10.664 -13.734  -3.480
 1106    HA   GLU 141           HA       GLU 141 -13.387 -12.686  -3.437
 1107   1HB   GLU 141          2HB       GLU 141 -11.548 -12.711  -1.038
 1108   2HB   GLU 141          1HB       GLU 141 -13.008 -11.742  -1.152
 1109   1HG   GLU 141          2HG       GLU 141 -13.655 -13.586   0.084
 1110   2HG   GLU 141          1HG       GLU 141 -14.221 -13.954  -1.540
 1111    H    MET 142           H        MET 142 -13.491 -10.492  -3.817
 1112    HA   MET 142           HA       MET 142 -11.193  -9.221  -4.902
 1113   1HB   MET 142          2HB       MET 142 -13.783  -7.947  -3.983
 1114   2HB   MET 142          1HB       MET 142 -12.567  -7.202  -5.009
 1115   1HG   MET 142          2HG       MET 142 -12.993  -8.926  -6.704
 1116   2HG   MET 142          1HG       MET 142 -14.267  -9.566  -5.678
 1117   1HE   MET 142          1HE       MET 142 -17.174  -7.530  -5.957
 1118   2HE   MET 142          2HE       MET 142 -16.129  -6.658  -4.834
 1119   3HE   MET 142          3HE       MET 142 -16.124  -8.422  -4.856
 1120    H    LEU 143           H        LEU 143 -11.106  -6.718  -3.888
 1121    HA   LEU 143           HA       LEU 143  -9.936  -7.233  -1.299
 1122   1HB   LEU 143          2HB       LEU 143  -9.623  -4.537  -1.718
 1123   2HB   LEU 143          1HB       LEU 143  -8.444  -5.783  -2.051
 1124    HG   LEU 143           HG       LEU 143  -8.637  -4.239  -3.900
 1125   1HD1  LEU 143          1HD1      LEU 143  -9.927  -6.738  -4.906
 1126   2HD1  LEU 143          2HD1      LEU 143  -8.321  -6.798  -4.178
 1127   3HD1  LEU 143          3HD1      LEU 143  -8.609  -5.794  -5.599
 1128   1HD2  LEU 143          1HD2      LEU 143 -11.361  -5.159  -4.624
 1129   2HD2  LEU 143          2HD2      LEU 143 -10.557  -3.622  -4.943
 1130   3HD2  LEU 143          3HD2      LEU 143 -11.219  -3.957  -3.343
 1131    H    ARG 144           H        ARG 144 -12.154  -4.711  -2.497
 1132    HA   ARG 144           HA       ARG 144 -12.925  -3.956   0.074
 1133   1HB   ARG 144          2HB       ARG 144 -13.218  -2.445  -1.820
 1134   2HB   ARG 144          1HB       ARG 144 -14.437  -3.521  -2.485
 1135   1HG   ARG 144          2HG       ARG 144 -15.936  -3.108  -0.742
 1136   2HG   ARG 144          1HG       ARG 144 -14.710  -2.346   0.261
 1137   1HD   ARG 144          2HD       ARG 144 -16.053  -0.594  -0.591
 1138   2HD   ARG 144          1HD       ARG 144 -14.561  -0.554  -1.524
 1139    HE   ARG 144           HE       ARG 144 -16.382  -2.137  -2.914
 1140   1HH1  ARG 144          1HH1      ARG 144 -16.007   1.184  -1.925
 1141   2HH1  ARG 144          2HH1      ARG 144 -16.927   1.818  -3.248
 1142   1HH2  ARG 144          1HH2      ARG 144 -17.608  -1.306  -4.655
 1143   2HH2  ARG 144          2HH2      ARG 144 -17.836   0.404  -4.799
 1144    H    GLN 145           H        GLN 145 -14.383  -6.169  -2.221
 1145    HA   GLN 145           HA       GLN 145 -16.786  -6.568  -0.990
 1146   1HB   GLN 145          2HB       GLN 145 -16.788  -7.857  -2.825
 1147   2HB   GLN 145          1HB       GLN 145 -15.048  -8.099  -2.766
 1148   1HG   GLN 145          2HG       GLN 145 -16.945  -9.548  -0.973
 1149   2HG   GLN 145          1HG       GLN 145 -16.481 -10.148  -2.567
 1150   1HE2  GLN 145          1HE2      GLN 145 -13.890  -8.515  -1.585
 1151   2HE2  GLN 145          2HE2      GLN 145 -13.035  -9.739  -0.733
 1152    H    ILE 146           H        ILE 146 -13.590  -7.656   0.101
 1153    HA   ILE 146           HA       ILE 146 -14.814  -9.239   2.213
 1154    HB   ILE 146           HB       ILE 146 -12.280  -9.294   2.938
 1155   1HG1  ILE 146          2HG1      ILE 146 -12.133  -8.836  -0.037
 1156   2HG1  ILE 146          1HG1      ILE 146 -11.490  -7.779   1.214
 1157   1HG2  ILE 146          1HG2      ILE 146 -14.029 -11.050   1.872
 1158   2HG2  ILE 146          2HG2      ILE 146 -12.364 -11.457   2.289
 1159   3HG2  ILE 146          3HG2      ILE 146 -12.782 -11.047   0.625
 1160   1HD1  ILE 146          1HD1      ILE 146  -9.598  -8.916   1.274
 1161   2HD1  ILE 146          2HD1      ILE 146 -10.178  -9.854  -0.104
 1162   3HD1  ILE 146          3HD1      ILE 146 -10.458 -10.433   1.539
 1163    H    LEU 147           H        LEU 147 -13.061  -6.195   1.793
 1164    HA   LEU 147           HA       LEU 147 -12.728  -5.660   4.570
 1165   1HB   LEU 147          2HB       LEU 147 -12.111  -3.495   3.940
 1166   2HB   LEU 147          1HB       LEU 147 -11.674  -4.448   2.535
 1167    HG   LEU 147           HG       LEU 147 -13.950  -3.745   1.563
 1168   1HD1  LEU 147          1HD1      LEU 147 -14.266  -2.656   4.073
 1169   2HD1  LEU 147          2HD1      LEU 147 -15.260  -2.337   2.653
 1170   3HD1  LEU 147          3HD1      LEU 147 -13.910  -1.271   3.041
 1171   1HD2  LEU 147          1HD2      LEU 147 -12.548  -2.543   0.352
 1172   2HD2  LEU 147          2HD2      LEU 147 -11.439  -2.370   1.709
 1173   3HD2  LEU 147          3HD2      LEU 147 -12.771  -1.235   1.509
 1174    H    HIS 148           H        HIS 148 -15.244  -5.448   2.307
 1175    HA   HIS 148           HA       HIS 148 -17.018  -3.701   3.601
 1176   1HB   HIS 148          2HB       HIS 148 -17.220  -4.179   1.250
 1177   2HB   HIS 148          1HB       HIS 148 -17.395  -5.912   1.553
 1178    HD1  HIS 148           1HD      HIS 148 -19.618  -5.297  -0.006
 1179    HD2  HIS 148           2HD      HIS 148 -19.641  -4.047   3.957
 1180    HE1  HIS 148           1HE      HIS 148 -22.027  -4.820   0.532
 1181    HE2  HIS 148           2HE      HIS 148 -22.023  -4.073   2.939
 1182    H    THR 149           H        THR 149 -16.773  -7.209   3.438
 1183    HA   THR 149           HA       THR 149 -18.881  -7.529   5.407
 1184    HB   THR 149           HB       THR 149 -18.467  -9.957   5.082
 1185    HG1  THR 149           1HG      THR 149 -16.956 -10.627   3.641
 1186   1HG2  THR 149          1HG2      THR 149 -18.899  -9.918   2.517
 1187   2HG2  THR 149          2HG2      THR 149 -19.047  -8.179   2.769
 1188   3HG2  THR 149          3HG2      THR 149 -20.110  -9.290   3.634
 1189    H    ARG 150           H        ARG 150 -15.438  -7.267   5.515
 1190    HA   ARG 150           HA       ARG 150 -15.506  -8.478   8.208
 1191   1HB   ARG 150          2HB       ARG 150 -13.197  -8.300   6.281
 1192   2HB   ARG 150          1HB       ARG 150 -13.076  -8.900   7.929
 1193   1HG   ARG 150          2HG       ARG 150 -14.779 -10.094   5.750
 1194   2HG   ARG 150          1HG       ARG 150 -13.225 -10.717   6.306
 1195   1HD   ARG 150          2HD       ARG 150 -14.167 -11.069   8.538
 1196   2HD   ARG 150          1HD       ARG 150 -15.719 -10.441   7.983
 1197    HE   ARG 150           HE       ARG 150 -16.164 -12.527   7.210
 1198   1HH1  ARG 150          1HH1      ARG 150 -12.704 -12.102   7.204
 1199   2HH1  ARG 150          2HH1      ARG 150 -12.382 -13.701   6.622
 1200   1HH2  ARG 150          1HH2      ARG 150 -15.746 -14.632   6.450
 1201   2HH2  ARG 150          2HH2      ARG 150 -14.110 -15.139   6.194
 1202    H    ALA 151           H        ALA 151 -14.323  -5.735   6.349
 1203    HA   ALA 151           HA       ALA 151 -13.271  -4.539   8.807
 1204   1HB   ALA 151          1HB       ALA 151 -12.430  -4.491   6.110
 1205   2HB   ALA 151          2HB       ALA 151 -11.668  -3.739   7.511
 1206   3HB   ALA 151          3HB       ALA 151 -12.856  -2.841   6.566
 1207    H    PHE 152           H        PHE 152 -14.296  -2.449   6.246
 1208    HA   PHE 152           HA       PHE 152 -16.474  -1.473   7.969
 1209   1HB   PHE 152          2HB       PHE 152 -14.563   0.065   7.865
 1210   2HB   PHE 152          1HB       PHE 152 -14.671   0.093   6.110
 1211    HD1  PHE 152           1HD      PHE 152 -15.388   2.150   5.386
 1212    HD2  PHE 152           2HD      PHE 152 -17.176   0.427   8.842
 1213    HE1  PHE 152           1HE      PHE 152 -16.944   4.054   5.522
 1214    HE2  PHE 152           2HE      PHE 152 -18.738   2.329   8.984
 1215    HZ   PHE 152           HZ       PHE 152 -18.589   4.172   7.294
 1216    H    ASP 153           H        ASP 153 -15.911  -0.118   4.825
 1217    HA   ASP 153           HA       ASP 153 -17.476  -1.793   3.240
 1218   1HB   ASP 153          2HB       ASP 153 -19.579  -0.473   3.103
 1219   2HB   ASP 153          1HB       ASP 153 -19.348  -1.243   4.667
 1220    H    LYS 154           H        LYS 154 -16.594   1.560   3.931
 1221    HA   LYS 154           HA       LYS 154 -15.264   1.953   1.506
 1222   1HB   LYS 154          2HB       LYS 154 -17.452   1.814   0.465
 1223   2HB   LYS 154          1HB       LYS 154 -18.093   3.020   1.567
 1224   1HG   LYS 154          2HG       LYS 154 -15.784   3.777  -0.135
 1225   2HG   LYS 154          1HG       LYS 154 -17.364   3.613  -0.897
 1226   1HD   LYS 154          2HD       LYS 154 -16.747   5.350   1.493
 1227   2HD   LYS 154          1HD       LYS 154 -16.902   5.921  -0.168
 1228   1HE   LYS 154          2HE       LYS 154 -19.064   4.569   1.444
 1229   2HE   LYS 154          1HE       LYS 154 -18.953   6.298   1.121
 1230   1HZ   LYS 154          1HZ       LYS 154 -18.854   5.330  -1.351
 1231   2HZ   LYS 154          2HZ       LYS 154 -20.298   5.759  -0.581
 1232   3HZ   LYS 154          3HZ       LYS 154 -19.809   4.140  -0.622
 1233    H    LEU 155           H        LEU 155 -13.757   3.333   2.187
 1234    HA   LEU 155           HA       LEU 155 -14.335   5.280   4.257
 1235   1HB   LEU 155          2HB       LEU 155 -11.792   4.687   2.734
 1236   2HB   LEU 155          1HB       LEU 155 -11.920   5.857   4.032
 1237    HG   LEU 155           HG       LEU 155 -12.251   2.866   4.263
 1238   1HD1  LEU 155          1HD1      LEU 155 -10.224   2.844   5.391
 1239   2HD1  LEU 155          2HD1      LEU 155 -10.254   4.584   5.679
 1240   3HD1  LEU 155          3HD1      LEU 155  -9.940   3.963   4.058
 1241   1HD2  LEU 155          1HD2      LEU 155 -13.830   4.090   5.721
 1242   2HD2  LEU 155          2HD2      LEU 155 -12.463   4.944   6.436
 1243   3HD2  LEU 155          3HD2      LEU 155 -12.607   3.197   6.624
 1244    H    ASN 156           H        ASN 156 -12.620   7.370   3.497
 1245    HA   ASN 156           HA       ASN 156 -14.019   8.427   1.130
 1246   1HB   ASN 156          2HB       ASN 156 -13.188   9.998   3.579
 1247   2HB   ASN 156          1HB       ASN 156 -14.060  10.621   2.181
 1248   1HD2  ASN 156          1HD2      ASN 156 -16.170  10.728   2.360
 1249   2HD2  ASN 156          2HD2      ASN 156 -17.151   9.826   3.457
 1250    H    LYS 157           H        LYS 157 -12.703   8.890  -0.481
 1251    HA   LYS 157           HA       LYS 157  -9.937   8.660  -0.395
 1252   1HB   LYS 157          2HB       LYS 157 -11.933   9.428  -2.330
 1253   2HB   LYS 157          1HB       LYS 157 -10.506  10.437  -2.488
 1254   1HG   LYS 157          2HG       LYS 157  -9.133   8.646  -3.010
 1255   2HG   LYS 157          1HG       LYS 157 -10.241   7.467  -2.311
 1256   1HD   LYS 157          2HD       LYS 157 -11.001   9.098  -4.716
 1257   2HD   LYS 157          1HD       LYS 157 -10.075   7.605  -4.870
 1258   1HE   LYS 157          2HE       LYS 157 -12.386   7.066  -5.167
 1259   2HE   LYS 157          1HE       LYS 157 -11.877   6.435  -3.597
 1260   1HZ   LYS 157          1HZ       LYS 157 -14.086   7.832  -3.913
 1261   2HZ   LYS 157          2HZ       LYS 157 -13.024   9.121  -3.645
 1262   3HZ   LYS 157          3HZ       LYS 157 -13.177   7.898  -2.488
 1263    H    TRP 158           H        TRP 158  -9.113   9.793   1.317
 1264    HA   TRP 158           HA       TRP 158  -8.287  11.537   2.505
 1265   1HB   TRP 158          2HB       TRP 158  -6.979  11.638   0.365
 1266   2HB   TRP 158          1HB       TRP 158  -8.107  12.862  -0.206
 1267    HD1  TRP 158           HD       TRP 158  -6.584  12.743   3.344
 1268    HE1  TRP 158           1HE      TRP 158  -5.236  14.905   3.708
 1269    HE3  TRP 158           3HE      TRP 158  -6.991  14.754  -1.339
 1270    HZ2  TRP 158           2HZ      TRP 158  -4.446  17.162   2.209
 1271    HZ3  TRP 158           3HZ      TRP 158  -5.910  16.919  -1.791
 1272    HH2  TRP 158           HH       TRP 158  -4.665  18.095  -0.053
  Start of MODEL   10
    1   1H    THR   1          1HT       THR   1   1.669  -8.207 -15.037
    2   2H    THR   1          2HT       THR   1   2.246  -9.747 -15.435
    3   3H    THR   1          3HT       THR   1   3.315  -8.565 -14.868
    4    HA   THR   1           HA       THR   1   1.424 -10.231 -13.403
    5    HB   THR   1           HB       THR   1   4.150  -9.043 -12.840
    6    HG1  THR   1           1HG      THR   1   3.266 -11.595 -13.660
    7   1HG2  THR   1          1HG2      THR   1   2.646  -9.605 -10.809
    8   2HG2  THR   1          2HG2      THR   1   4.308 -10.202 -10.859
    9   3HG2  THR   1          3HG2      THR   1   2.973 -11.281 -11.261
   10    H    VAL   2           H        VAL   2  -0.343  -8.912 -12.954
   11    HA   VAL   2           HA       VAL   2  -0.139  -6.257 -12.001
   12    HB   VAL   2           HB       VAL   2  -2.225  -6.996 -12.942
   13   1HG1  VAL   2          1HG1      VAL   2  -3.283  -8.913 -12.469
   14   2HG1  VAL   2          2HG1      VAL   2  -3.065  -8.720 -10.731
   15   3HG1  VAL   2          3HG1      VAL   2  -1.760  -9.382 -11.715
   16   1HG2  VAL   2          1HG2      VAL   2  -2.062  -5.467 -10.762
   17   2HG2  VAL   2          2HG2      VAL   2  -3.066  -6.762 -10.112
   18   3HG2  VAL   2          3HG2      VAL   2  -3.597  -5.862 -11.533
   19    H    ALA   3           H        ALA   3   1.085  -5.886 -10.277
   20    HA   ALA   3           HA       ALA   3   0.784  -7.612  -7.920
   21   1HB   ALA   3          1HB       ALA   3   2.908  -5.523  -8.272
   22   2HB   ALA   3          2HB       ALA   3   3.061  -7.137  -8.965
   23   3HB   ALA   3          3HB       ALA   3   2.912  -6.937  -7.220
   24    H    TYR   4           H        TYR   4  -0.347  -6.949  -6.246
   25    HA   TYR   4           HA       TYR   4  -1.155  -4.146  -6.124
   26   1HB   TYR   4          2HB       TYR   4  -3.017  -5.560  -5.846
   27   2HB   TYR   4          1HB       TYR   4  -2.154  -6.617  -4.731
   28    HD1  TYR   4           1HD      TYR   4  -3.470  -6.554  -2.777
   29    HD2  TYR   4           2HD      TYR   4  -2.378  -2.915  -4.689
   30    HE1  TYR   4           1HE      TYR   4  -4.415  -5.286  -0.894
   31    HE2  TYR   4           2HE      TYR   4  -3.317  -1.641  -2.812
   32    HH   TYR   4           HH       TYR   4  -5.091  -3.222  -0.226
   33    H    ILE   5           H        ILE   5  -0.133  -2.766  -4.972
   34    HA   ILE   5           HA       ILE   5   1.177  -3.555  -2.458
   35    HB   ILE   5           HB       ILE   5   2.338  -1.326  -4.072
   36   1HG1  ILE   5          2HG1      ILE   5   2.887  -4.255  -4.612
   37   2HG1  ILE   5          1HG1      ILE   5   2.122  -3.128  -5.722
   38   1HG2  ILE   5          1HG2      ILE   5   2.939  -2.550  -1.678
   39   2HG2  ILE   5          2HG2      ILE   5   4.009  -1.497  -2.603
   40   3HG2  ILE   5          3HG2      ILE   5   4.113  -3.247  -2.796
   41   1HD1  ILE   5          1HD1      ILE   5   4.170  -1.831  -5.836
   42   2HD1  ILE   5          2HD1      ILE   5   4.448  -3.511  -6.296
   43   3HD1  ILE   5          3HD1      ILE   5   4.944  -2.940  -4.703
   44    H    ALA   6           H        ALA   6   0.225  -2.468  -0.828
   45    HA   ALA   6           HA       ALA   6  -1.347  -0.102  -1.342
   46   1HB   ALA   6          1HB       ALA   6  -1.384  -0.269   1.327
   47   2HB   ALA   6          2HB       ALA   6  -0.916  -1.925   0.946
   48   3HB   ALA   6          3HB       ALA   6  -2.411  -1.258   0.292
   49    H    ILE   7           H        ILE   7  -0.517   1.879  -1.417
   50    HA   ILE   7           HA       ILE   7   2.065   2.388  -0.120
   51    HB   ILE   7           HB       ILE   7   1.808   2.898  -2.549
   52   1HG1  ILE   7          2HG1      ILE   7   2.817   5.178  -2.406
   53   2HG1  ILE   7          1HG1      ILE   7   2.387   5.219  -0.699
   54   1HG2  ILE   7          1HG2      ILE   7   0.542   4.877  -3.219
   55   2HG2  ILE   7          2HG2      ILE   7  -0.052   5.058  -1.569
   56   3HG2  ILE   7          3HG2      ILE   7  -0.510   3.646  -2.519
   57   1HD1  ILE   7          1HD1      ILE   7   4.596   3.878  -2.052
   58   2HD1  ILE   7          2HD1      ILE   7   3.751   2.870  -0.876
   59   3HD1  ILE   7          3HD1      ILE   7   4.441   4.414  -0.379
   60    H    GLY   8           H        GLY   8   2.378   4.057   1.350
   61   1HA   GLY   8          2HA       GLY   8   0.211   5.860   1.991
   62   2HA   GLY   8          1HA       GLY   8   0.516   4.647   3.220
   63    H    SER   9           H        SER   9   0.769   7.587   3.257
   64    HA   SER   9           HA       SER   9   3.380   7.708   4.534
   65   1HB   SER   9          2HB       SER   9   2.644   9.483   2.194
   66   2HB   SER   9          1HB       SER   9   3.975   9.816   3.303
   67    HG   SER   9           HG       SER   9   4.955   8.674   1.770
   68    H    ASN  10           H        ASN  10   3.624  10.012   5.576
   69    HA   ASN  10           HA       ASN  10   1.052  11.268   6.149
   70   1HB   ASN  10          2HB       ASN  10   1.529   9.369   7.815
   71   2HB   ASN  10          1HB       ASN  10   2.798  10.409   8.450
   72   1HD2  ASN  10          1HD2      ASN  10   0.356  12.338   7.290
   73   2HD2  ASN  10          2HD2      ASN  10  -0.509  12.595   8.762
   74    H    LEU  11           H        LEU  11   2.200  12.635   8.511
   75    HA   LEU  11           HA       LEU  11   3.400  14.470   9.087
   76   1HB   LEU  11          2HB       LEU  11   5.077  13.732   6.690
   77   2HB   LEU  11          1HB       LEU  11   5.461  15.040   7.792
   78    HG   LEU  11           HG       LEU  11   5.284  12.120   8.545
   79   1HD1  LEU  11          1HD1      LEU  11   7.443  13.789   7.506
   80   2HD1  LEU  11          2HD1      LEU  11   7.309  12.033   7.602
   81   3HD1  LEU  11          3HD1      LEU  11   7.845  12.954   9.007
   82   1HD2  LEU  11          1HD2      LEU  11   6.571  14.135  10.290
   83   2HD2  LEU  11          2HD2      LEU  11   5.665  12.681  10.709
   84   3HD2  LEU  11          3HD2      LEU  11   4.808  14.143  10.221
   85    H    ALA  12           H        ALA  12   1.499  15.667   8.621
   86    HA   ALA  12           HA       ALA  12   0.233  17.278   7.620
   87   1HB   ALA  12          1HB       ALA  12   1.682  19.104   6.514
   88   2HB   ALA  12          2HB       ALA  12   3.047  18.139   7.075
   89   3HB   ALA  12          3HB       ALA  12   1.886  18.785   8.236
   90    H    SER  13           H        SER  13   2.642  17.585   5.094
   91    HA   SER  13           HA       SER  13   0.635  16.658   3.152
   92   1HB   SER  13          2HB       SER  13   3.017  18.487   2.742
   93   2HB   SER  13          1HB       SER  13   1.870  18.007   1.491
   94    HG   SER  13           HG       SER  13   0.362  19.266   2.360
   95    HA   PRO  14           HA       PRO  14   3.805  13.366   2.957
   96   1HB   PRO  14          2HB       PRO  14   1.636  11.566   2.323
   97   2HB   PRO  14          1HB       PRO  14   2.649  11.604   3.767
   98   1HG   PRO  14          2HG       PRO  14  -0.016  12.225   3.761
   99   2HG   PRO  14          1HG       PRO  14   1.145  12.856   4.943
  100   1HD   PRO  14          2HD       PRO  14   0.018  14.169   2.501
  101   2HD   PRO  14          1HD       PRO  14   0.341  14.859   4.107
  102    H    LEU  15           H        LEU  15   1.774  14.818   0.739
  103    HA   LEU  15           HA       LEU  15   1.664  13.231  -1.478
  104   1HB   LEU  15          2HB       LEU  15   0.690  15.463  -1.362
  105   2HB   LEU  15          1HB       LEU  15   2.290  16.180  -1.384
  106    HG   LEU  15           HG       LEU  15   2.637  15.279  -3.663
  107   1HD1  LEU  15          1HD1      LEU  15   0.660  14.448  -4.898
  108   2HD1  LEU  15          2HD1      LEU  15  -0.228  14.394  -3.374
  109   3HD1  LEU  15          3HD1      LEU  15   1.184  13.364  -3.609
  110   1HD2  LEU  15          1HD2      LEU  15   1.457  16.965  -4.741
  111   2HD2  LEU  15          2HD2      LEU  15   1.584  17.555  -3.083
  112   3HD2  LEU  15          3HD2      LEU  15   0.079  16.833  -3.649
  113    H    GLU  16           H        GLU  16   4.471  14.999  -0.284
  114    HA   GLU  16           HA       GLU  16   6.084  14.424  -2.583
  115   1HB   GLU  16          2HB       GLU  16   6.889  15.378   0.168
  116   2HB   GLU  16          1HB       GLU  16   7.922  15.371  -1.254
  117   1HG   GLU  16          2HG       GLU  16   6.434  16.956  -2.354
  118   2HG   GLU  16          1HG       GLU  16   5.385  16.958  -0.937
  119    H    GLN  17           H        GLN  17   5.693  12.984   0.618
  120    HA   GLN  17           HA       GLN  17   7.907  11.185   0.282
  121   1HB   GLN  17          2HB       GLN  17   5.732  10.841   2.335
  122   2HB   GLN  17          1HB       GLN  17   7.447  10.440   2.451
  123   1HG   GLN  17          2HG       GLN  17   8.011  12.814   2.448
  124   2HG   GLN  17          1HG       GLN  17   6.304  13.224   2.325
  125   1HE2  GLN  17          1HE2      GLN  17   6.863  10.502   4.221
  126   2HE2  GLN  17          2HE2      GLN  17   6.758  11.258   5.772
  127    H    VAL  18           H        VAL  18   4.367  10.681   0.483
  128    HA   VAL  18           HA       VAL  18   4.326   7.979  -0.122
  129    HB   VAL  18           HB       VAL  18   2.311   9.212   0.567
  130   1HG1  VAL  18          1HG1      VAL  18   2.922  11.114  -1.158
  131   2HG1  VAL  18          2HG1      VAL  18   1.253  10.814  -0.672
  132   3HG1  VAL  18          3HG1      VAL  18   1.851  10.183  -2.207
  133   1HG2  VAL  18          1HG2      VAL  18   1.944   7.067  -0.401
  134   2HG2  VAL  18          2HG2      VAL  18   2.129   7.706  -2.034
  135   3HG2  VAL  18          3HG2      VAL  18   0.725   8.155  -1.064
  136    H    ASN  19           H        ASN  19   4.618  10.755  -2.264
  137    HA   ASN  19           HA       ASN  19   4.367   9.226  -4.677
  138   1HB   ASN  19          2HB       ASN  19   3.894  11.714  -4.422
  139   2HB   ASN  19          1HB       ASN  19   5.640  11.949  -4.396
  140   1HD2  ASN  19          1HD2      ASN  19   6.737  11.951  -6.277
  141   2HD2  ASN  19          2HD2      ASN  19   6.023  11.701  -7.828
  142    H    ALA  20           H        ALA  20   6.913  10.079  -2.497
  143    HA   ALA  20           HA       ALA  20   9.143   9.790  -4.172
  144   1HB   ALA  20          1HB       ALA  20   8.876   9.291  -1.212
  145   2HB   ALA  20          2HB       ALA  20   9.343  10.801  -1.995
  146   3HB   ALA  20          3HB       ALA  20  10.404   9.396  -2.084
  147    H    ALA  21           H        ALA  21   7.256   7.422  -2.364
  148    HA   ALA  21           HA       ALA  21   8.983   5.192  -3.011
  149   1HB   ALA  21          1HB       ALA  21   7.806   4.553  -1.179
  150   2HB   ALA  21          2HB       ALA  21   6.620   4.030  -2.377
  151   3HB   ALA  21          3HB       ALA  21   6.431   5.587  -1.569
  152    H    LEU  22           H        LEU  22   6.136   6.772  -4.197
  153    HA   LEU  22           HA       LEU  22   5.425   4.906  -6.217
  154   1HB   LEU  22          2HB       LEU  22   3.690   6.311  -5.596
  155   2HB   LEU  22          1HB       LEU  22   4.723   7.721  -5.502
  156    HG   LEU  22           HG       LEU  22   4.786   7.845  -7.941
  157   1HD1  LEU  22          1HD1      LEU  22   3.980   6.282  -9.335
  158   2HD1  LEU  22          2HD1      LEU  22   2.562   5.975  -8.330
  159   3HD1  LEU  22          3HD1      LEU  22   4.105   5.216  -7.935
  160   1HD2  LEU  22          1HD2      LEU  22   2.881   8.762  -6.370
  161   2HD2  LEU  22          2HD2      LEU  22   1.890   7.642  -7.306
  162   3HD2  LEU  22          3HD2      LEU  22   2.784   8.926  -8.123
  163    H    LYS  23           H        LYS  23   7.887   7.196  -5.836
  164    HA   LYS  23           HA       LYS  23   8.357   7.762  -8.616
  165   1HB   LYS  23          2HB       LYS  23   9.025   9.351  -6.861
  166   2HB   LYS  23          1HB       LYS  23  10.114   8.150  -6.180
  167   1HG   LYS  23          2HG       LYS  23  11.443   8.196  -8.233
  168   2HG   LYS  23          1HG       LYS  23  10.354   9.412  -8.904
  169   1HD   LYS  23          2HD       LYS  23  10.934  10.932  -7.071
  170   2HD   LYS  23          1HD       LYS  23  12.028   9.715  -6.412
  171   1HE   LYS  23          2HE       LYS  23  13.358   9.806  -8.467
  172   2HE   LYS  23          1HE       LYS  23  12.263  11.021  -9.123
  173   1HZ   LYS  23          1HZ       LYS  23  14.058  12.216  -8.274
  174   2HZ   LYS  23          2HZ       LYS  23  14.153  11.285  -6.866
  175   3HZ   LYS  23          3HZ       LYS  23  12.872  12.369  -7.077
  176    H    ALA  24           H        ALA  24   9.672   5.633  -6.132
  177    HA   ALA  24           HA       ALA  24  11.551   4.398  -7.959
  178   1HB   ALA  24          1HB       ALA  24  11.194   2.932  -5.515
  179   2HB   ALA  24          2HB       ALA  24  11.337   4.654  -5.157
  180   3HB   ALA  24          3HB       ALA  24  12.603   3.835  -6.073
  181    H    LEU  25           H        LEU  25   8.311   4.049  -6.983
  182    HA   LEU  25           HA       LEU  25   8.102   1.237  -7.671
  183   1HB   LEU  25          2HB       LEU  25   6.716   2.483  -5.877
  184   2HB   LEU  25          1HB       LEU  25   5.805   3.131  -7.230
  185    HG   LEU  25           HG       LEU  25   5.146   0.867  -7.891
  186   1HD1  LEU  25          1HD1      LEU  25   5.819  -0.590  -5.560
  187   2HD1  LEU  25          2HD1      LEU  25   7.302   0.129  -6.188
  188   3HD1  LEU  25          3HD1      LEU  25   6.311  -0.898  -7.225
  189   1HD2  LEU  25          1HD2      LEU  25   3.668   2.028  -6.413
  190   2HD2  LEU  25          2HD2      LEU  25   4.653   1.609  -5.012
  191   3HD2  LEU  25          3HD2      LEU  25   3.765   0.353  -5.874
  192    H    GLY  26           H        GLY  26   7.415   4.402  -9.004
  193   1HA   GLY  26          2HA       GLY  26   5.871   3.687 -11.226
  194   2HA   GLY  26          1HA       GLY  26   6.930   5.091 -11.141
  195    H    ASP  27           H        ASP  27   9.381   3.906 -10.833
  196    HA   ASP  27           HA       ASP  27   9.657   2.198 -13.211
  197   1HB   ASP  27          2HB       ASP  27  10.341   4.479 -13.807
  198   2HB   ASP  27          1HB       ASP  27  11.447   4.518 -12.437
  199    H    ILE  28           H        ILE  28  10.043   0.328 -12.215
  200    HA   ILE  28           HA       ILE  28  12.221   0.187 -10.233
  201    HB   ILE  28           HB       ILE  28  10.270  -2.052 -10.633
  202   1HG1  ILE  28          2HG1      ILE  28   9.728   0.467  -9.047
  203   2HG1  ILE  28          1HG1      ILE  28   8.816  -0.116 -10.433
  204   1HG2  ILE  28          1HG2      ILE  28  10.620  -2.114  -8.084
  205   2HG2  ILE  28          2HG2      ILE  28  11.960  -1.009  -8.390
  206   3HG2  ILE  28          3HG2      ILE  28  11.954  -2.611  -9.126
  207   1HD1  ILE  28          1HD1      ILE  28   8.796  -1.039  -7.619
  208   2HD1  ILE  28          2HD1      ILE  28   8.496  -2.226  -8.888
  209   3HD1  ILE  28          3HD1      ILE  28   7.462  -0.804  -8.748
  210    HA   PRO  29           HA       PRO  29  15.085  -1.997 -12.815
  211   1HB   PRO  29          2HB       PRO  29  14.426  -4.274 -10.969
  212   2HB   PRO  29          1HB       PRO  29  15.989  -3.802 -11.641
  213   1HG   PRO  29          2HG       PRO  29  15.257  -3.079  -9.164
  214   2HG   PRO  29          1HG       PRO  29  16.232  -2.019 -10.197
  215   1HD   PRO  29          2HD       PRO  29  13.461  -1.706  -9.308
  216   2HD   PRO  29          1HD       PRO  29  14.546  -0.508 -10.038
  217    H    GLU  30           H        GLU  30  12.099  -3.785 -11.938
  218    HA   GLU  30           HA       GLU  30  11.864  -4.566 -14.747
  219   1HB   GLU  30          2HB       GLU  30  11.690  -6.569 -12.492
  220   2HB   GLU  30          1HB       GLU  30  11.413  -6.902 -14.196
  221   1HG   GLU  30          2HG       GLU  30  13.748  -6.314 -14.674
  222   2HG   GLU  30          1HG       GLU  30  14.012  -6.040 -12.952
  223    H    SER  31           H        SER  31  10.350  -2.798 -12.781
  224    HA   SER  31           HA       SER  31   7.719  -4.082 -13.149
  225   1HB   SER  31          2HB       SER  31   8.497  -2.145 -10.963
  226   2HB   SER  31          1HB       SER  31   6.920  -2.907 -11.164
  227    HG   SER  31           HG       SER  31   8.353  -3.942  -9.621
  228    H    HIS  32           H        HIS  32   5.899  -2.322 -12.990
  229    HA   HIS  32           HA       HIS  32   6.505   0.283 -14.000
  230   1HB   HIS  32          2HB       HIS  32   6.877  -0.937 -16.073
  231   2HB   HIS  32          1HB       HIS  32   5.314  -1.730 -15.915
  232    HD1  HIS  32           1HD      HIS  32   6.466   1.907 -15.965
  233    HD2  HIS  32           2HD      HIS  32   3.529  -0.564 -17.559
  234    HE1  HIS  32           1HE      HIS  32   5.049   3.396 -17.413
  235    HE2  HIS  32           2HE      HIS  32   3.244   1.892 -18.323
  236    H    ILE  33           H        ILE  33   4.887   1.635 -13.506
  237    HA   ILE  33           HA       ILE  33   2.720   0.855 -11.942
  238    HB   ILE  33           HB       ILE  33   3.450   3.380 -13.347
  239   1HG1  ILE  33          2HG1      ILE  33   4.536   2.744 -11.231
  240   2HG1  ILE  33          1HG1      ILE  33   3.591   4.221 -11.062
  241   1HG2  ILE  33          1HG2      ILE  33   1.125   3.534 -13.628
  242   2HG2  ILE  33          2HG2      ILE  33   1.467   4.446 -12.158
  243   3HG2  ILE  33          3HG2      ILE  33   0.802   2.816 -12.050
  244   1HD1  ILE  33          1HD1      ILE  33   2.401   1.585 -10.343
  245   2HD1  ILE  33          2HD1      ILE  33   1.992   3.198  -9.758
  246   3HD1  ILE  33          3HD1      ILE  33   3.481   2.417  -9.225
  247    H    LEU  34           H        LEU  34   0.521   0.753 -12.248
  248    HA   LEU  34           HA       LEU  34  -0.482   0.606 -15.020
  249   1HB   LEU  34          2HB       LEU  34  -0.900  -1.286 -12.734
  250   2HB   LEU  34          1HB       LEU  34  -2.145  -1.105 -13.948
  251    HG   LEU  34           HG       LEU  34  -0.631  -1.903 -15.660
  252   1HD1  LEU  34          1HD1      LEU  34   1.367  -1.271 -13.716
  253   2HD1  LEU  34          2HD1      LEU  34   1.550  -1.650 -15.429
  254   3HD1  LEU  34          3HD1      LEU  34   1.523  -2.948 -14.236
  255   1HD2  LEU  34          1HD2      LEU  34  -0.221  -3.882 -13.500
  256   2HD2  LEU  34          2HD2      LEU  34  -0.848  -4.102 -15.134
  257   3HD2  LEU  34          3HD2      LEU  34  -1.877  -3.407 -13.880
  258    H    THR  35           H        THR  35  -2.195   0.066 -11.998
  259    HA   THR  35           HA       THR  35  -3.801   2.487 -12.495
  260    HB   THR  35           HB       THR  35  -5.586   1.287 -11.185
  261    HG1  THR  35           1HG      THR  35  -4.122  -0.220 -10.196
  262   1HG2  THR  35          1HG2      THR  35  -4.723  -0.300 -13.586
  263   2HG2  THR  35          2HG2      THR  35  -5.533   1.263 -13.684
  264   3HG2  THR  35          3HG2      THR  35  -6.353  -0.109 -12.940
  265    H    VAL  36           H        VAL  36  -3.465   4.072 -11.073
  266    HA   VAL  36           HA       VAL  36  -3.047   3.394  -8.261
  267    HB   VAL  36           HB       VAL  36  -1.192   5.005  -8.048
  268   1HG1  VAL  36          1HG1      VAL  36  -0.618   2.871 -10.098
  269   2HG1  VAL  36          2HG1      VAL  36  -0.779   2.587  -8.364
  270   3HG1  VAL  36          3HG1      VAL  36   0.531   3.600  -8.973
  271   1HG2  VAL  36          1HG2      VAL  36  -1.667   6.419  -9.970
  272   2HG2  VAL  36          2HG2      VAL  36  -1.290   5.087 -11.063
  273   3HG2  VAL  36          3HG2      VAL  36  -0.023   5.791 -10.059
  274    H    SER  37           H        SER  37  -4.507   4.479  -7.119
  275    HA   SER  37           HA       SER  37  -4.769   7.280  -7.192
  276   1HB   SER  37          2HB       SER  37  -7.038   7.509  -8.106
  277   2HB   SER  37          1HB       SER  37  -5.935   6.867  -9.320
  278    HG   SER  37           HG       SER  37  -7.791   5.394  -7.758
  279    H    SER  38           H        SER  38  -7.537   7.407  -6.437
  280    HA   SER  38           HA       SER  38  -8.880   7.222  -4.627
  281   1HB   SER  38          2HB       SER  38  -9.041   4.864  -5.147
  282   2HB   SER  38          1HB       SER  38  -7.508   4.541  -4.336
  283    HG   SER  38           HG       SER  38  -8.459   4.724  -2.431
  284    H    PHE  39           H        PHE  39  -7.135   8.976  -4.026
  285    HA   PHE  39           HA       PHE  39  -5.369   8.301  -1.875
  286   1HB   PHE  39          2HB       PHE  39  -6.373  10.985  -2.841
  287   2HB   PHE  39          1HB       PHE  39  -5.163  10.779  -1.584
  288    HD1  PHE  39           1HD      PHE  39  -5.710   9.309  -4.979
  289    HD2  PHE  39           2HD      PHE  39  -3.054  11.282  -2.303
  290    HE1  PHE  39           1HE      PHE  39  -3.940   9.228  -6.684
  291    HE2  PHE  39           2HE      PHE  39  -1.278  11.206  -4.005
  292    HZ   PHE  39           HZ       PHE  39  -1.719  10.179  -6.199
  293    H    TYR  40           H        TYR  40  -6.792   7.176  -0.511
  294    HA   TYR  40           HA       TYR  40  -9.043   8.490   0.696
  295   1HB   TYR  40          2HB       TYR  40  -9.146   6.408   2.072
  296   2HB   TYR  40          1HB       TYR  40  -9.127   6.101   0.334
  297    HD1  TYR  40           1HD      TYR  40  -7.147   5.145  -0.740
  298    HD2  TYR  40           2HD      TYR  40  -7.293   5.780   3.460
  299    HE1  TYR  40           1HE      TYR  40  -5.233   3.634  -0.447
  300    HE2  TYR  40           2HE      TYR  40  -5.376   4.279   3.764
  301    HH   TYR  40           HH       TYR  40  -4.073   2.742   2.767
  302    H    ARG  41           H        ARG  41  -9.213   8.323   3.153
  303    HA   ARG  41           HA       ARG  41  -6.813   9.557   4.330
  304   1HB   ARG  41          2HB       ARG  41  -8.804  11.012   4.241
  305   2HB   ARG  41          1HB       ARG  41  -9.712   9.819   5.161
  306   1HG   ARG  41          2HG       ARG  41  -8.203  10.130   7.056
  307   2HG   ARG  41          1HG       ARG  41  -7.288  11.323   6.132
  308   1HD   ARG  41          2HD       ARG  41  -8.837  12.411   7.662
  309   2HD   ARG  41          1HD       ARG  41  -9.279  12.736   5.987
  310    HE   ARG  41           HE       ARG  41 -10.716  10.502   6.842
  311   1HH1  ARG  41          1HH1      ARG  41 -10.500  13.912   7.529
  312   2HH1  ARG  41          2HH1      ARG  41 -12.159  14.051   8.007
  313   1HH2  ARG  41          1HH2      ARG  41 -12.900  10.677   7.471
  314   2HH2  ARG  41          2HH2      ARG  41 -13.522  12.213   7.975
  315    H    THR  42           H        THR  42  -5.871   8.623   6.055
  316    HA   THR  42           HA       THR  42  -7.239   6.303   7.244
  317    HB   THR  42           HB       THR  42  -4.271   6.772   6.904
  318    HG1  THR  42           1HG      THR  42  -5.418   6.167   4.993
  319   1HG2  THR  42          1HG2      THR  42  -5.416   5.232   8.847
  320   2HG2  THR  42          2HG2      THR  42  -3.802   5.009   8.172
  321   3HG2  THR  42          3HG2      THR  42  -5.159   4.077   7.540
  322    HA   PRO  43           HA       PRO  43  -6.847   8.750  10.965
  323   1HB   PRO  43          2HB       PRO  43  -8.554   7.359  12.466
  324   2HB   PRO  43          1HB       PRO  43  -9.129   8.335  11.110
  325   1HG   PRO  43          2HG       PRO  43  -8.752   5.381  11.297
  326   2HG   PRO  43          1HG       PRO  43 -10.024   6.302  10.475
  327   1HD   PRO  43          2HD       PRO  43  -7.763   5.192   9.263
  328   2HD   PRO  43          1HD       PRO  43  -8.810   6.439   8.558
  329    HA   PRO  44           HA       PRO  44  -3.611   6.422  12.974
  330   1HB   PRO  44          2HB       PRO  44  -3.483   7.928  15.272
  331   2HB   PRO  44          1HB       PRO  44  -2.703   8.367  13.750
  332   1HG   PRO  44          2HG       PRO  44  -5.304   9.313  14.888
  333   2HG   PRO  44          1HG       PRO  44  -4.039  10.241  14.059
  334   1HD   PRO  44          2HD       PRO  44  -6.286   9.500  12.796
  335   2HD   PRO  44          1HD       PRO  44  -4.719   9.535  11.960
  336    H    LEU  45           H        LEU  45  -5.695   7.669  15.568
  337    HA   LEU  45           HA       LEU  45  -6.668   6.647  17.351
  338   1HB   LEU  45          2HB       LEU  45  -7.304   4.758  15.105
  339   2HB   LEU  45          1HB       LEU  45  -7.856   4.437  16.738
  340    HG   LEU  45           HG       LEU  45  -9.104   6.557  16.736
  341   1HD1  LEU  45          1HD1      LEU  45  -8.208   6.784  13.868
  342   2HD1  LEU  45          2HD1      LEU  45  -7.684   7.815  15.199
  343   3HD1  LEU  45          3HD1      LEU  45  -9.370   7.834  14.683
  344   1HD2  LEU  45          1HD2      LEU  45 -10.242   5.572  14.303
  345   2HD2  LEU  45          2HD2      LEU  45 -10.824   5.393  15.959
  346   3HD2  LEU  45          3HD2      LEU  45  -9.690   4.218  15.289
  347    H    GLY  46           H        GLY  46  -3.914   6.278  17.245
  348   1HA   GLY  46          2HA       GLY  46  -3.567   4.167  19.072
  349   2HA   GLY  46          1HA       GLY  46  -3.062   3.611  17.484
  350    HA   PRO  47           HA       PRO  47   0.901   5.488  17.759
  351   1HB   PRO  47          2HB       PRO  47   1.003   7.292  15.668
  352   2HB   PRO  47          1HB       PRO  47   1.277   5.554  15.513
  353   1HG   PRO  47          2HG       PRO  47  -1.200   7.138  14.968
  354   2HG   PRO  47          1HG       PRO  47  -0.504   5.790  14.049
  355   1HD   PRO  47          2HD       PRO  47  -2.600   5.427  15.675
  356   2HD   PRO  47          1HD       PRO  47  -1.328   4.197  15.522
  357    H    GLN  48           H        GLN  48  -1.066   8.234  16.567
  358    HA   GLN  48           HA       GLN  48  -0.485   9.659  19.065
  359   1HB   GLN  48          2HB       GLN  48  -0.379  11.143  16.470
  360   2HB   GLN  48          1HB       GLN  48   0.328  11.575  18.021
  361   1HG   GLN  48          2HG       GLN  48   2.176  11.027  16.769
  362   2HG   GLN  48          1HG       GLN  48   1.846   9.519  17.621
  363   1HE2  GLN  48          1HE2      GLN  48  -0.537   9.970  15.367
  364   2HE2  GLN  48          2HE2      GLN  48   0.118   9.037  14.073
  365    H    ASP  49           H        ASP  49  -1.629  12.105  18.128
  366    HA   ASP  49           HA       ASP  49  -4.439  11.301  17.779
  367   1HB   ASP  49          2HB       ASP  49  -3.345  13.636  19.366
  368   2HB   ASP  49          1HB       ASP  49  -5.054  13.310  19.095
  369    H    GLN  50           H        GLN  50  -2.297  12.064  15.831
  370    HA   GLN  50           HA       GLN  50  -3.490  14.509  14.711
  371   1HB   GLN  50          2HB       GLN  50  -0.937  13.253  13.739
  372   2HB   GLN  50          1HB       GLN  50  -1.468  14.922  13.588
  373   1HG   GLN  50          2HG       GLN  50  -0.479  13.535  16.061
  374   2HG   GLN  50          1HG       GLN  50   0.298  14.846  15.176
  375   1HE2  GLN  50          1HE2      GLN  50  -1.460  14.110  17.835
  376   2HE2  GLN  50          2HE2      GLN  50  -2.153  15.657  18.172
  377    HA   PRO  51           HA       PRO  51  -5.060  11.266  11.894
  378   1HB   PRO  51          2HB       PRO  51  -7.513  12.273  11.526
  379   2HB   PRO  51          1HB       PRO  51  -7.088  11.406  13.008
  380   1HG   PRO  51          2HG       PRO  51  -7.283  14.353  12.527
  381   2HG   PRO  51          1HG       PRO  51  -7.833  13.407  13.922
  382   1HD   PRO  51          2HD       PRO  51  -5.475  14.830  13.837
  383   2HD   PRO  51          1HD       PRO  51  -5.770  13.442  14.903
  384    H    ASP  52           H        ASP  52  -3.988  11.584  10.008
  385    HA   ASP  52           HA       ASP  52  -5.135  13.169   7.986
  386   1HB   ASP  52          2HB       ASP  52  -3.329  14.812   7.648
  387   2HB   ASP  52          1HB       ASP  52  -4.139  15.038   9.195
  388    H    TYR  53           H        TYR  53  -3.993  10.460   8.515
  389    HA   TYR  53           HA       TYR  53  -1.593  10.204   7.016
  390   1HB   TYR  53          2HB       TYR  53  -3.719   8.190   7.754
  391   2HB   TYR  53          1HB       TYR  53  -2.250   7.764   6.886
  392    HD1  TYR  53           1HD      TYR  53  -2.993   9.881   9.891
  393    HD2  TYR  53           2HD      TYR  53  -0.755   6.666   8.232
  394    HE1  TYR  53           1HE      TYR  53  -1.806   9.611  12.028
  395    HE2  TYR  53           2HE      TYR  53   0.436   6.387  10.362
  396    HH   TYR  53           HH       TYR  53  -0.541   8.023  13.243
  397    H    LEU  54           H        LEU  54  -1.391  10.643   4.926
  398    HA   LEU  54           HA       LEU  54  -3.706  10.322   3.156
  399   1HB   LEU  54          2HB       LEU  54  -2.484  12.455   3.080
  400   2HB   LEU  54          1HB       LEU  54  -1.009  11.605   2.668
  401    HG   LEU  54           HG       LEU  54  -2.239  12.791   0.776
  402   1HD1  LEU  54          1HD1      LEU  54  -0.472  11.044   0.498
  403   2HD1  LEU  54          2HD1      LEU  54  -1.622  11.154  -0.835
  404   3HD1  LEU  54          3HD1      LEU  54  -1.763   9.852   0.347
  405   1HD2  LEU  54          1HD2      LEU  54  -4.005  10.363   0.805
  406   2HD2  LEU  54          2HD2      LEU  54  -4.147  11.816  -0.185
  407   3HD2  LEU  54          3HD2      LEU  54  -4.488  11.890   1.544
  408    H    ASN  55           H        ASN  55  -3.919   8.447   2.096
  409    HA   ASN  55           HA       ASN  55  -1.477   7.126   1.154
  410   1HB   ASN  55          2HB       ASN  55  -3.678   5.557   2.476
  411   2HB   ASN  55          1HB       ASN  55  -2.062   5.011   2.052
  412   1HD2  ASN  55          1HD2      ASN  55  -0.896   4.665   3.790
  413   2HD2  ASN  55          2HD2      ASN  55  -0.900   5.615   5.233
  414    H    ALA  56           H        ALA  56  -1.863   5.500  -0.498
  415    HA   ALA  56           HA       ALA  56  -4.464   5.621  -1.823
  416   1HB   ALA  56          1HB       ALA  56  -1.912   6.668  -2.932
  417   2HB   ALA  56          2HB       ALA  56  -3.558   7.273  -3.116
  418   3HB   ALA  56          3HB       ALA  56  -3.033   5.856  -4.025
  419    H    ALA  57           H        ALA  57  -4.104   4.205  -4.016
  420    HA   ALA  57           HA       ALA  57  -2.852   1.695  -3.108
  421   1HB   ALA  57          1HB       ALA  57  -5.149   1.266  -3.072
  422   2HB   ALA  57          2HB       ALA  57  -4.609   0.605  -4.615
  423   3HB   ALA  57          3HB       ALA  57  -5.432   2.165  -4.563
  424    H    VAL  58           H        VAL  58  -1.503   0.648  -4.464
  425    HA   VAL  58           HA       VAL  58  -1.259   1.653  -7.204
  426    HB   VAL  58           HB       VAL  58   1.016   0.961  -5.335
  427   1HG1  VAL  58          1HG1      VAL  58   0.825   1.216  -8.261
  428   2HG1  VAL  58          2HG1      VAL  58   1.977   0.323  -7.269
  429   3HG1  VAL  58          3HG1      VAL  58   2.178   2.058  -7.506
  430   1HG2  VAL  58          1HG2      VAL  58  -0.370   3.372  -5.693
  431   2HG2  VAL  58          2HG2      VAL  58   1.156   3.557  -6.558
  432   3HG2  VAL  58          3HG2      VAL  58   1.158   3.126  -4.848
  433    H    ALA  59           H        ALA  59  -1.236   0.119  -8.682
  434    HA   ALA  59           HA       ALA  59  -0.568  -2.626  -7.934
  435   1HB   ALA  59          1HB       ALA  59  -2.973  -1.904  -9.614
  436   2HB   ALA  59          2HB       ALA  59  -3.052  -2.353  -7.911
  437   3HB   ALA  59          3HB       ALA  59  -2.477  -3.518  -9.104
  438    H    LEU  60           H        LEU  60   1.356  -2.370  -8.968
  439    HA   LEU  60           HA       LEU  60   1.246  -1.780 -11.854
  440   1HB   LEU  60          2HB       LEU  60   3.436  -0.976 -11.745
  441   2HB   LEU  60          1HB       LEU  60   2.677  -0.369 -10.288
  442    HG   LEU  60           HG       LEU  60   4.411  -2.831 -10.374
  443   1HD1  LEU  60          1HD1      LEU  60   6.002  -1.234  -9.118
  444   2HD1  LEU  60          2HD1      LEU  60   5.063   0.052  -9.877
  445   3HD1  LEU  60          3HD1      LEU  60   5.913  -1.126 -10.876
  446   1HD2  LEU  60          1HD2      LEU  60   3.088  -3.022  -8.486
  447   2HD2  LEU  60          2HD2      LEU  60   3.044  -1.279  -8.214
  448   3HD2  LEU  60          3HD2      LEU  60   4.516  -2.189  -7.870
  449    H    GLU  61           H        GLU  61   2.778  -2.935 -13.236
  450    HA   GLU  61           HA       GLU  61   2.702  -5.759 -12.679
  451   1HB   GLU  61          2HB       GLU  61   3.655  -4.181 -15.064
  452   2HB   GLU  61          1HB       GLU  61   3.774  -5.932 -14.962
  453   1HG   GLU  61          2HG       GLU  61   1.295  -5.949 -14.568
  454   2HG   GLU  61          1HG       GLU  61   1.298  -4.248 -15.011
  455    H    THR  62           H        THR  62   4.153  -6.164 -11.047
  456    HA   THR  62           HA       THR  62   6.889  -5.291 -11.373
  457    HB   THR  62           HB       THR  62   7.241  -6.285  -9.155
  458    HG1  THR  62           1HG      THR  62   5.963  -7.855  -8.661
  459   1HG2  THR  62          1HG2      THR  62   5.862  -4.012  -9.596
  460   2HG2  THR  62          2HG2      THR  62   6.324  -4.605  -8.001
  461   3HG2  THR  62          3HG2      THR  62   4.700  -4.916  -8.621
  462    H    SER  63           H        SER  63   8.571  -6.926 -10.972
  463    HA   SER  63           HA       SER  63   7.920  -9.586 -12.035
  464   1HB   SER  63          2HB       SER  63  10.160  -7.794 -13.019
  465   2HB   SER  63          1HB       SER  63   9.971  -9.492 -13.454
  466    HG   SER  63           HG       SER  63   7.975  -8.951 -14.412
  467    H    LEU  64           H        LEU  64   9.561  -7.419 -10.095
  468    HA   LEU  64           HA       LEU  64  11.360  -9.385  -8.927
  469   1HB   LEU  64          2HB       LEU  64  12.069  -7.302  -7.612
  470   2HB   LEU  64          1HB       LEU  64  12.445  -7.334  -9.327
  471    HG   LEU  64           HG       LEU  64   9.871  -6.048  -8.587
  472   1HD1  LEU  64          1HD1      LEU  64  10.712  -4.356  -7.380
  473   2HD1  LEU  64          2HD1      LEU  64  12.123  -4.203  -8.426
  474   3HD1  LEU  64          3HD1      LEU  64  12.122  -5.382  -7.115
  475   1HD2  LEU  64          1HD2      LEU  64  10.160  -5.688 -10.781
  476   2HD2  LEU  64          2HD2      LEU  64  11.894  -6.001 -10.711
  477   3HD2  LEU  64          3HD2      LEU  64  11.267  -4.413 -10.268
  478    H    ALA  65           H        ALA  65   9.951 -10.668  -7.750
  479    HA   ALA  65           HA       ALA  65   7.678 -10.146  -6.430
  480   1HB   ALA  65          1HB       ALA  65   8.835 -11.711  -4.557
  481   2HB   ALA  65          2HB       ALA  65   9.925 -11.978  -5.917
  482   3HB   ALA  65          3HB       ALA  65   8.203 -12.313  -6.090
  483    HA   PRO  66           HA       PRO  66   7.733  -6.917  -3.403
  484   1HB   PRO  66          2HB       PRO  66   7.140  -9.338  -1.707
  485   2HB   PRO  66          1HB       PRO  66   6.520  -7.687  -1.530
  486   1HG   PRO  66          2HG       PRO  66   5.081  -9.479  -2.827
  487   2HG   PRO  66          1HG       PRO  66   5.225  -7.821  -3.441
  488   1HD   PRO  66          2HD       PRO  66   6.376 -10.335  -4.515
  489   2HD   PRO  66          1HD       PRO  66   6.069  -8.796  -5.348
  490    H    GLU  67           H        GLU  67   9.511  -9.914  -2.809
  491    HA   GLU  67           HA       GLU  67  11.025  -9.153  -0.635
  492   1HB   GLU  67          2HB       GLU  67  12.096 -10.625  -3.053
  493   2HB   GLU  67          1HB       GLU  67  12.672 -10.749  -1.394
  494   1HG   GLU  67          2HG       GLU  67  10.641 -11.822  -0.707
  495   2HG   GLU  67          1HG       GLU  67   9.916 -11.565  -2.297
  496    H    GLU  68           H        GLU  68  11.866  -8.765  -4.067
  497    HA   GLU  68           HA       GLU  68  13.979  -6.883  -3.585
  498   1HB   GLU  68          2HB       GLU  68  12.544  -7.634  -6.140
  499   2HB   GLU  68          1HB       GLU  68  14.031  -6.707  -6.049
  500   1HG   GLU  68          2HG       GLU  68  13.668  -9.547  -5.144
  501   2HG   GLU  68          1HG       GLU  68  14.433  -9.031  -6.646
  502    H    LEU  69           H        LEU  69  10.739  -6.736  -5.002
  503    HA   LEU  69           HA       LEU  69  10.537  -4.112  -5.695
  504   1HB   LEU  69          2HB       LEU  69   8.676  -5.236  -6.282
  505   2HB   LEU  69          1HB       LEU  69   8.664  -6.204  -4.832
  506    HG   LEU  69           HG       LEU  69   7.831  -4.106  -3.629
  507   1HD1  LEU  69          1HD1      LEU  69   6.975  -2.329  -4.840
  508   2HD1  LEU  69          2HD1      LEU  69   6.950  -3.239  -6.351
  509   3HD1  LEU  69          3HD1      LEU  69   8.486  -2.693  -5.675
  510   1HD2  LEU  69          1HD2      LEU  69   5.543  -4.597  -4.167
  511   2HD2  LEU  69          2HD2      LEU  69   6.456  -6.105  -4.211
  512   3HD2  LEU  69          3HD2      LEU  69   6.009  -5.302  -5.715
  513    H    LEU  70           H        LEU  70   9.637  -5.397  -2.480
  514    HA   LEU  70           HA       LEU  70   9.094  -2.966  -1.260
  515   1HB   LEU  70          2HB       LEU  70   9.936  -5.641  -0.253
  516   2HB   LEU  70          1HB       LEU  70  10.013  -4.283   0.853
  517    HG   LEU  70           HG       LEU  70   7.610  -3.864   0.496
  518   1HD1  LEU  70          1HD1      LEU  70   7.457  -6.483  -0.946
  519   2HD1  LEU  70          2HD1      LEU  70   7.658  -4.964  -1.818
  520   3HD1  LEU  70          3HD1      LEU  70   6.236  -5.217  -0.807
  521   1HD2  LEU  70          1HD2      LEU  70   7.508  -6.689   1.203
  522   2HD2  LEU  70          2HD2      LEU  70   7.119  -5.263   2.165
  523   3HD2  LEU  70          3HD2      LEU  70   8.792  -5.806   2.028
  524    H    ASN  71           H        ASN  71  12.188  -4.659  -1.684
  525    HA   ASN  71           HA       ASN  71  13.777  -3.083  -0.056
  526   1HB   ASN  71          2HB       ASN  71  14.346  -4.547  -2.611
  527   2HB   ASN  71          1HB       ASN  71  15.591  -3.546  -1.871
  528   1HD2  ASN  71          1HD2      ASN  71  14.538  -6.600  -2.105
  529   2HD2  ASN  71          2HD2      ASN  71  15.093  -7.233  -0.597
  530    H    HIS  72           H        HIS  72  12.572  -2.358  -3.312
  531    HA   HIS  72           HA       HIS  72  14.108   0.072  -3.517
  532   1HB   HIS  72          2HB       HIS  72  11.914  -1.118  -5.210
  533   2HB   HIS  72          1HB       HIS  72  12.672   0.432  -5.571
  534    HD1  HIS  72           1HD      HIS  72  15.367   0.278  -5.948
  535    HD2  HIS  72           2HD      HIS  72  13.234  -3.277  -6.183
  536    HE1  HIS  72           1HE      HIS  72  16.887  -1.337  -7.132
  537    HE2  HIS  72           2HE      HIS  72  15.591  -3.497  -7.228
  538    H    THR  73           H        THR  73  10.678  -0.742  -2.977
  539    HA   THR  73           HA       THR  73   9.733   1.898  -2.859
  540    HB   THR  73           HB       THR  73   7.875   0.925  -1.495
  541    HG1  THR  73           1HG      THR  73   8.410  -1.626  -1.725
  542   1HG2  THR  73          1HG2      THR  73   7.474   0.753  -3.788
  543   2HG2  THR  73          2HG2      THR  73   7.217  -0.876  -3.162
  544   3HG2  THR  73          3HG2      THR  73   8.716  -0.481  -4.001
  545    H    GLN  74           H        GLN  74  10.634  -0.268  -0.194
  546    HA   GLN  74           HA       GLN  74  10.539   1.691   1.827
  547   1HB   GLN  74          2HB       GLN  74  12.143  -0.876   1.808
  548   2HB   GLN  74          1HB       GLN  74  11.675   0.056   3.223
  549   1HG   GLN  74          2HG       GLN  74   9.288  -0.398   2.603
  550   2HG   GLN  74          1HG       GLN  74   9.893  -1.515   1.386
  551   1HE2  GLN  74          1HE2      GLN  74   9.775  -3.532   2.026
  552   2HE2  GLN  74          2HE2      GLN  74  10.038  -4.117   3.628
  553    H    ARG  75           H        ARG  75  12.792   0.974  -0.643
  554    HA   ARG  75           HA       ARG  75  15.209   1.829   0.542
  555   1HB   ARG  75          2HB       ARG  75  15.070   0.708  -1.672
  556   2HB   ARG  75          1HB       ARG  75  14.287   2.132  -2.330
  557   1HG   ARG  75          2HG       ARG  75  16.319   3.431  -1.858
  558   2HG   ARG  75          1HG       ARG  75  17.099   1.953  -1.284
  559   1HD   ARG  75          2HD       ARG  75  17.726   2.376  -3.582
  560   2HD   ARG  75          1HD       ARG  75  16.726   0.924  -3.493
  561    HE   ARG  75           HE       ARG  75  15.280   1.959  -4.901
  562   1HH1  ARG  75          1HH1      ARG  75  17.013   4.427  -3.150
  563   2HH1  ARG  75          2HH1      ARG  75  16.230   5.736  -3.969
  564   1HH2  ARG  75          1HH2      ARG  75  14.251   3.681  -5.985
  565   2HH2  ARG  75          2HH2      ARG  75  14.662   5.314  -5.577
  566    H    ILE  76           H        ILE  76  12.452   3.365  -0.796
  567    HA   ILE  76           HA       ILE  76  13.490   6.020  -0.865
  568    HB   ILE  76           HB       ILE  76  10.630   5.071  -0.864
  569   1HG1  ILE  76          2HG1      ILE  76  11.919   4.116  -2.726
  570   2HG1  ILE  76          1HG1      ILE  76  10.761   5.309  -3.309
  571   1HG2  ILE  76          1HG2      ILE  76  10.368   7.282  -0.421
  572   2HG2  ILE  76          2HG2      ILE  76  10.514   7.365  -2.177
  573   3HG2  ILE  76          3HG2      ILE  76  11.908   7.725  -1.160
  574   1HD1  ILE  76          1HD1      ILE  76  13.147   6.703  -2.816
  575   2HD1  ILE  76          2HD1      ILE  76  12.413   6.319  -4.373
  576   3HD1  ILE  76          3HD1      ILE  76  13.591   5.218  -3.658
  577    H    GLU  77           H        GLU  77  10.856   4.606   1.144
  578    HA   GLU  77           HA       GLU  77  10.701   6.712   2.932
  579   1HB   GLU  77          2HB       GLU  77   9.663   5.186   4.530
  580   2HB   GLU  77          1HB       GLU  77   8.995   4.973   2.921
  581   1HG   GLU  77          2HG       GLU  77   9.236   2.819   3.792
  582   2HG   GLU  77          1HG       GLU  77  10.591   3.009   2.680
  583    H    LEU  78           H        LEU  78  13.170   4.352   2.647
  584    HA   LEU  78           HA       LEU  78  14.187   4.582   5.313
  585   1HB   LEU  78          2HB       LEU  78  14.615   2.637   3.797
  586   2HB   LEU  78          1HB       LEU  78  15.626   3.675   2.812
  587    HG   LEU  78           HG       LEU  78  16.224   3.207   5.726
  588   1HD1  LEU  78          1HD1      LEU  78  16.860   1.491   3.356
  589   2HD1  LEU  78          2HD1      LEU  78  16.280   1.017   4.953
  590   3HD1  LEU  78          3HD1      LEU  78  17.945   1.559   4.744
  591   1HD2  LEU  78          1HD2      LEU  78  17.925   4.030   3.372
  592   2HD2  LEU  78          2HD2      LEU  78  18.500   3.792   5.022
  593   3HD2  LEU  78          3HD2      LEU  78  17.357   5.087   4.666
  594    H    GLN  79           H        GLN  79  14.889   6.073   2.194
  595    HA   GLN  79           HA       GLN  79  16.725   7.950   3.521
  596   1HB   GLN  79          2HB       GLN  79  16.350   7.445   0.560
  597   2HB   GLN  79          1HB       GLN  79  17.587   8.453   1.298
  598   1HG   GLN  79          2HG       GLN  79  18.545   6.475   2.375
  599   2HG   GLN  79          1HG       GLN  79  17.316   5.472   1.607
  600   1HE2  GLN  79          1HE2      GLN  79  18.027   4.431  -0.093
  601   2HE2  GLN  79          2HE2      GLN  79  19.228   4.981  -1.206
  602    H    GLN  80           H        GLN  80  13.601   7.774   3.010
  603    HA   GLN  80           HA       GLN  80  13.289  10.564   2.130
  604   1HB   GLN  80          2HB       GLN  80  12.169   8.927   0.654
  605   2HB   GLN  80          1HB       GLN  80  11.259   8.321   2.031
  606   1HG   GLN  80          2HG       GLN  80   9.910   9.806   0.668
  607   2HG   GLN  80          1HG       GLN  80  10.163  10.480   2.278
  608   1HE2  GLN  80          1HE2      GLN  80  10.602  12.556   2.302
  609   2HE2  GLN  80          2HE2      GLN  80  11.390  13.452   1.053
  610    H    GLY  81           H        GLY  81  13.028   8.377   4.691
  611   1HA   GLY  81          2HA       GLY  81  10.978   9.727   6.180
  612   2HA   GLY  81          1HA       GLY  81  12.031   8.453   6.771
  613    H    ARG  82           H        ARG  82  13.094  11.494   5.346
  614    HA   ARG  82           HA       ARG  82  14.229  13.279   6.175
  615   1HB   ARG  82          2HB       ARG  82  12.279  13.252   7.824
  616   2HB   ARG  82          1HB       ARG  82  13.361  12.432   8.938
  617   1HG   ARG  82          2HG       ARG  82  13.973  15.113   7.721
  618   2HG   ARG  82          1HG       ARG  82  13.127  14.911   9.255
  619   1HD   ARG  82          2HD       ARG  82  15.068  13.667  10.128
  620   2HD   ARG  82          1HD       ARG  82  15.910  13.944   8.604
  621    HE   ARG  82           HE       ARG  82  15.089  16.414   9.643
  622   1HH1  ARG  82          1HH1      ARG  82  17.340  13.845  10.325
  623   2HH1  ARG  82          2HH1      ARG  82  18.472  14.878  11.135
  624   1HH2  ARG  82          1HH2      ARG  82  16.571  17.780  10.713
  625   2HH2  ARG  82          2HH2      ARG  82  18.034  17.113  11.357
  626    H    VAL  83           H        VAL  83  14.631  11.160   9.003
  627    HA   VAL  83           HA       VAL  83  17.464  11.522   8.952
  628    HB   VAL  83           HB       VAL  83  15.851   9.577  10.610
  629   1HG1  VAL  83          1HG1      VAL  83  17.749   8.930  11.577
  630   2HG1  VAL  83          2HG1      VAL  83  18.288  10.596  11.788
  631   3HG1  VAL  83          3HG1      VAL  83  18.605   9.752  10.273
  632   1HG2  VAL  83          1HG2      VAL  83  16.023  12.436  10.696
  633   2HG2  VAL  83          2HG2      VAL  83  16.735  11.751  12.156
  634   3HG2  VAL  83          3HG2      VAL  83  15.079  11.346  11.710
  635    H    ARG  84           H        ARG  84  16.281   8.286   9.527
  636    HA   ARG  84           HA       ARG  84  17.228   7.291   6.972
  637   1HB   ARG  84          2HB       ARG  84  18.605   6.646   9.578
  638   2HB   ARG  84          1HB       ARG  84  18.776   5.664   8.133
  639   1HG   ARG  84          2HG       ARG  84  19.510   8.577   8.339
  640   2HG   ARG  84          1HG       ARG  84  20.645   7.231   8.465
  641   1HD   ARG  84          2HD       ARG  84  20.103   6.538   6.199
  642   2HD   ARG  84          1HD       ARG  84  18.908   7.826   6.070
  643    HE   ARG  84           HE       ARG  84  21.383   8.968   6.709
  644   1HH1  ARG  84          1HH1      ARG  84  19.824   7.302   4.076
  645   2HH1  ARG  84          2HH1      ARG  84  20.775   8.073   2.853
  646   1HH2  ARG  84          1HH2      ARG  84  22.640   9.991   5.106
  647   2HH2  ARG  84          2HH2      ARG  84  22.379   9.601   3.439
  648    H    LYS  85           H        LYS  85  14.772   6.956   7.307
  649    HA   LYS  85           HA       LYS  85  13.096   5.416   7.341
  650   1HB   LYS  85          2HB       LYS  85  14.734   3.768   6.566
  651   2HB   LYS  85          1HB       LYS  85  15.245   3.480   8.223
  652   1HG   LYS  85          2HG       LYS  85  13.046   2.598   8.768
  653   2HG   LYS  85          1HG       LYS  85  12.498   2.925   7.123
  654   1HD   LYS  85          2HD       LYS  85  14.121   1.353   6.240
  655   2HD   LYS  85          1HD       LYS  85  14.761   1.070   7.861
  656   1HE   LYS  85          2HE       LYS  85  13.253  -0.727   7.159
  657   2HE   LYS  85          1HE       LYS  85  12.625   0.141   8.559
  658   1HZ   LYS  85          1HZ       LYS  85  11.506  -0.139   5.938
  659   2HZ   LYS  85          2HZ       LYS  85  11.561   1.473   6.444
  660   3HZ   LYS  85          3HZ       LYS  85  10.759   0.320   7.384
  661    H    ALA  86           H        ALA  86  15.217   5.571  10.137
  662    HA   ALA  86           HA       ALA  86  13.523   4.425  12.044
  663   1HB   ALA  86          1HB       ALA  86  15.903   6.149  12.077
  664   2HB   ALA  86          2HB       ALA  86  15.533   4.705  13.017
  665   3HB   ALA  86          3HB       ALA  86  14.872   6.266  13.503
  666    H    GLU  87           H        GLU  87  13.522   7.548  10.530
  667    HA   GLU  87           HA       GLU  87  12.336   9.479  10.938
  668   1HB   GLU  87          2HB       GLU  87   9.882   9.080  10.794
  669   2HB   GLU  87          1HB       GLU  87  10.807   8.228   9.569
  670   1HG   GLU  87          2HG       GLU  87  10.621   6.166  10.869
  671   2HG   GLU  87          1HG       GLU  87   9.684   7.024  12.090
  672    H    ARG  88           H        ARG  88  13.340   9.878  13.020
  673    HA   ARG  88           HA       ARG  88  11.895   9.133  15.406
  674   1HB   ARG  88          2HB       ARG  88  14.256  10.988  15.056
  675   2HB   ARG  88          1HB       ARG  88  13.643  10.385  16.590
  676   1HG   ARG  88          2HG       ARG  88  14.213   8.111  15.940
  677   2HG   ARG  88          1HG       ARG  88  14.791   8.692  14.379
  678   1HD   ARG  88          2HD       ARG  88  16.475  10.065  15.551
  679   2HD   ARG  88          1HD       ARG  88  15.924   9.396  17.085
  680    HE   ARG  88           HE       ARG  88  17.750   8.204  15.315
  681   1HH1  ARG  88          1HH1      ARG  88  15.011   7.364  17.308
  682   2HH1  ARG  88          2HH1      ARG  88  15.514   5.724  17.527
  683   1HH2  ARG  88          1HH2      ARG  88  18.415   6.046  15.604
  684   2HH2  ARG  88          2HH2      ARG  88  17.445   4.974  16.560
  685    H    TRP  89           H        TRP  89  10.042  10.394  14.054
  686    HA   TRP  89           HA       TRP  89   9.914  13.087  15.243
  687   1HB   TRP  89          2HB       TRP  89   8.797  12.114  12.610
  688   2HB   TRP  89          1HB       TRP  89   8.318  13.636  13.355
  689    HD1  TRP  89           HD       TRP  89  11.843  12.091  12.745
  690    HE1  TRP  89           1HE      TRP  89  13.284  13.874  11.578
  691    HE3  TRP  89           3HE      TRP  89   8.360  15.812  12.331
  692    HZ2  TRP  89           2HZ      TRP  89  12.987  16.509  10.608
  693    HZ3  TRP  89           3HZ      TRP  89   9.020  17.933  11.271
  694    HH2  TRP  89           HH       TRP  89  11.286  18.273  10.430
  695    H    GLY  90           H        GLY  90   7.912  10.361  14.115
  696   1HA   GLY  90          2HA       GLY  90   6.509   9.617  16.197
  697   2HA   GLY  90          1HA       GLY  90   5.793  11.203  15.957
  698    HA   PRO  91           HA       PRO  91   2.917   9.628  13.026
  699   1HB   PRO  91          2HB       PRO  91   3.703  11.630  11.002
  700   2HB   PRO  91          1HB       PRO  91   2.149  11.398  11.810
  701   1HG   PRO  91          2HG       PRO  91   3.732  13.478  12.400
  702   2HG   PRO  91          1HG       PRO  91   2.760  12.665  13.643
  703   1HD   PRO  91          2HD       PRO  91   5.685  12.412  13.057
  704   2HD   PRO  91          1HD       PRO  91   4.851  12.482  14.625
  705    H    ARG  92           H        ARG  92   2.721   9.186  10.481
  706    HA   ARG  92           HA       ARG  92   4.826   7.314   9.905
  707   1HB   ARG  92          2HB       ARG  92   2.250   7.163   9.410
  708   2HB   ARG  92          1HB       ARG  92   2.679   8.028   7.940
  709   1HG   ARG  92          2HG       ARG  92   2.629   5.697   7.449
  710   2HG   ARG  92          1HG       ARG  92   4.314   6.224   7.428
  711   1HD   ARG  92          2HD       ARG  92   4.078   4.089   8.587
  712   2HD   ARG  92          1HD       ARG  92   4.619   5.355   9.690
  713    HE   ARG  92           HE       ARG  92   1.816   5.178   9.787
  714   1HH1  ARG  92          1HH1      ARG  92   4.657   3.394  10.728
  715   2HH1  ARG  92          2HH1      ARG  92   3.878   2.609  12.061
  716   1HH2  ARG  92          1HH2      ARG  92   0.784   4.150  11.541
  717   2HH2  ARG  92          2HH2      ARG  92   1.679   3.039  12.524
  718    H    THR  93           H        THR  93   5.326   7.297   7.298
  719    HA   THR  93           HA       THR  93   5.968   9.940   6.312
  720    HB   THR  93           HB       THR  93   8.066   7.914   7.113
  721    HG1  THR  93           1HG      THR  93   8.019   9.225   8.755
  722   1HG2  THR  93          1HG2      THR  93   8.238   9.295   4.786
  723   2HG2  THR  93          2HG2      THR  93   9.612   8.747   5.748
  724   3HG2  THR  93          3HG2      THR  93   9.019  10.400   5.918
  725    H    LEU  94           H        LEU  94   6.285   6.460   6.014
  726    HA   LEU  94           HA       LEU  94   5.080   6.318   3.497
  727   1HB   LEU  94          2HB       LEU  94   7.304   7.433   2.948
  728   2HB   LEU  94          1HB       LEU  94   8.054   5.919   3.384
  729    HG   LEU  94           HG       LEU  94   5.979   6.115   1.218
  730   1HD1  LEU  94          1HD1      LEU  94   7.486   6.870  -0.252
  731   2HD1  LEU  94          2HD1      LEU  94   8.749   5.810   0.373
  732   3HD1  LEU  94          3HD1      LEU  94   8.433   7.360   1.152
  733   1HD2  LEU  94          1HD2      LEU  94   6.166   3.901   1.230
  734   2HD2  LEU  94          2HD2      LEU  94   7.436   3.967   2.453
  735   3HD2  LEU  94          3HD2      LEU  94   7.851   4.084   0.744
  736    H    ASP  95           H        ASP  95   4.539   4.211   3.068
  737    HA   ASP  95           HA       ASP  95   5.984   1.988   4.140
  738   1HB   ASP  95          2HB       ASP  95   4.831   2.799   6.175
  739   2HB   ASP  95          1HB       ASP  95   3.287   2.644   5.343
  740    H    LEU  96           H        LEU  96   5.524   0.184   2.996
  741    HA   LEU  96           HA       LEU  96   3.025   0.082   1.493
  742   1HB   LEU  96          2HB       LEU  96   4.095  -0.364  -0.595
  743   2HB   LEU  96          1HB       LEU  96   4.715   1.141   0.046
  744    HG   LEU  96           HG       LEU  96   6.590   0.106  -0.843
  745   1HD1  LEU  96          1HD1      LEU  96   6.777   0.790   1.612
  746   2HD1  LEU  96          2HD1      LEU  96   8.059  -0.198   0.912
  747   3HD1  LEU  96          3HD1      LEU  96   6.835  -0.942   1.940
  748   1HD2  LEU  96          1HD2      LEU  96   6.475  -2.029  -1.418
  749   2HD2  LEU  96          2HD2      LEU  96   5.164  -2.321  -0.276
  750   3HD2  LEU  96          3HD2      LEU  96   6.840  -2.445   0.256
  751    H    ASP  97           H        ASP  97   2.244  -1.915   1.064
  752    HA   ASP  97           HA       ASP  97   3.861  -4.283   1.565
  753   1HB   ASP  97          2HB       ASP  97   2.916  -3.678   3.799
  754   2HB   ASP  97          1HB       ASP  97   1.297  -3.783   3.116
  755    H    ILE  98           H        ILE  98   3.246  -5.963   0.414
  756    HA   ILE  98           HA       ILE  98   1.154  -5.523  -1.561
  757    HB   ILE  98           HB       ILE  98   2.170  -7.634  -2.560
  758   1HG1  ILE  98          2HG1      ILE  98   4.673  -7.711  -1.596
  759   2HG1  ILE  98          1HG1      ILE  98   3.826  -7.240  -0.131
  760   1HG2  ILE  98          1HG2      ILE  98   2.897  -4.974  -2.738
  761   2HG2  ILE  98          2HG2      ILE  98   3.372  -6.265  -3.843
  762   3HG2  ILE  98          3HG2      ILE  98   4.429  -5.815  -2.505
  763   1HD1  ILE  98          1HD1      ILE  98   3.772  -9.786  -1.617
  764   2HD1  ILE  98          2HD1      ILE  98   2.260  -9.257  -0.877
  765   3HD1  ILE  98          3HD1      ILE  98   3.701  -9.475   0.117
  766    H    MET  99           H        MET  99  -0.647  -6.732  -1.777
  767    HA   MET  99           HA       MET  99  -1.070  -8.882   0.175
  768   1HB   MET  99          2HB       MET  99  -3.130  -7.150  -1.217
  769   2HB   MET  99          1HB       MET  99  -3.481  -8.437  -0.078
  770   1HG   MET  99          2HG       MET  99  -3.696  -6.237   0.930
  771   2HG   MET  99          1HG       MET  99  -2.421  -7.186   1.704
  772   1HE   MET  99          1HE       MET  99  -0.443  -4.305   2.345
  773   2HE   MET  99          2HE       MET  99  -1.846  -5.243   2.855
  774   3HE   MET  99          3HE       MET  99  -2.068  -3.659   2.112
  775    H    LEU 100           H        LEU 100  -0.726  -7.901  -3.048
  776    HA   LEU 100           HA       LEU 100  -1.491 -10.595  -3.996
  777   1HB   LEU 100          2HB       LEU 100  -3.229  -9.016  -4.615
  778   2HB   LEU 100          1HB       LEU 100  -2.040  -7.959  -5.336
  779    HG   LEU 100           HG       LEU 100  -1.530  -9.699  -6.999
  780   1HD1  LEU 100          1HD1      LEU 100  -3.059 -11.321  -5.244
  781   2HD1  LEU 100          2HD1      LEU 100  -2.217 -11.790  -6.722
  782   3HD1  LEU 100          3HD1      LEU 100  -3.896 -11.252  -6.796
  783   1HD2  LEU 100          1HD2      LEU 100  -3.341  -7.855  -7.161
  784   2HD2  LEU 100          2HD2      LEU 100  -4.468  -9.207  -7.070
  785   3HD2  LEU 100          3HD2      LEU 100  -3.288  -9.130  -8.380
  786    H    PHE 101           H        PHE 101  -0.317 -11.428  -5.775
  787    HA   PHE 101           HA       PHE 101   1.943  -9.817  -6.723
  788   1HB   PHE 101          2HB       PHE 101   2.835 -11.214  -4.913
  789   2HB   PHE 101          1HB       PHE 101   2.217 -12.654  -5.714
  790    HD1  PHE 101           1HD      PHE 101   4.010 -13.906  -6.432
  791    HD2  PHE 101           2HD      PHE 101   4.069  -9.690  -7.012
  792    HE1  PHE 101           1HE      PHE 101   6.118 -14.112  -7.682
  793    HE2  PHE 101           2HE      PHE 101   6.178  -9.889  -8.266
  794    HZ   PHE 101           HZ       PHE 101   7.197 -12.101  -8.613
  795    H    GLY 102           H        GLY 102   0.449  -9.678  -8.546
  796   1HA   GLY 102          2HA       GLY 102   0.129 -10.164 -10.780
  797   2HA   GLY 102          1HA       GLY 102   1.147 -11.579 -10.574
  798    H    ASN 103           H        ASN 103  -0.910 -12.087  -8.240
  799    HA   ASN 103           HA       ASN 103  -2.958 -13.084  -7.931
  800   1HB   ASN 103          2HB       ASN 103  -3.814 -11.910 -10.023
  801   2HB   ASN 103          1HB       ASN 103  -3.258 -13.314 -10.937
  802   1HD2  ASN 103          1HD2      ASN 103  -5.791 -11.939  -9.289
  803   2HD2  ASN 103          2HD2      ASN 103  -6.788 -13.335  -9.111
  804    H    GLU 104           H        GLU 104  -0.402 -14.013  -8.035
  805    HA   GLU 104           HA       GLU 104  -0.594 -16.774  -9.021
  806   1HB   GLU 104          2HB       GLU 104   1.284 -14.929  -9.536
  807   2HB   GLU 104          1HB       GLU 104   1.932 -15.540  -8.026
  808   1HG   GLU 104          2HG       GLU 104   1.263 -17.274 -10.378
  809   2HG   GLU 104          1HG       GLU 104   2.841 -16.548 -10.099
  810    H    VAL 105           H        VAL 105  -0.739 -18.358  -7.428
  811    HA   VAL 105           HA       VAL 105  -0.932 -17.477  -4.717
  812    HB   VAL 105           HB       VAL 105  -0.794 -20.349  -5.644
  813   1HG1  VAL 105          1HG1      VAL 105  -2.514 -19.797  -3.406
  814   2HG1  VAL 105          2HG1      VAL 105  -0.882 -19.207  -3.096
  815   3HG1  VAL 105          3HG1      VAL 105  -1.143 -20.899  -3.521
  816   1HG2  VAL 105          1HG2      VAL 105  -2.657 -18.550  -6.513
  817   2HG2  VAL 105          2HG2      VAL 105  -3.437 -19.216  -5.079
  818   3HG2  VAL 105          3HG2      VAL 105  -2.917 -20.289  -6.378
  819    H    ILE 106           H        ILE 106   0.870 -16.800  -3.827
  820    HA   ILE 106           HA       ILE 106   2.934 -18.696  -3.189
  821    HB   ILE 106           HB       ILE 106   3.843 -18.165  -5.278
  822   1HG1  ILE 106          2HG1      ILE 106   5.070 -16.325  -3.226
  823   2HG1  ILE 106          1HG1      ILE 106   5.608 -17.938  -3.694
  824   1HG2  ILE 106          1HG2      ILE 106   3.243 -15.258  -4.784
  825   2HG2  ILE 106          2HG2      ILE 106   2.257 -16.345  -5.764
  826   3HG2  ILE 106          3HG2      ILE 106   3.906 -15.962  -6.259
  827   1HD1  ILE 106          1HD1      ILE 106   6.481 -15.480  -4.704
  828   2HD1  ILE 106          2HD1      ILE 106   5.522 -16.229  -5.990
  829   3HD1  ILE 106          3HD1      ILE 106   6.893 -17.096  -5.288
  830    H    ASN 107           H        ASN 107   2.605 -18.264  -1.064
  831    HA   ASN 107           HA       ASN 107   3.442 -15.596  -0.227
  832   1HB   ASN 107          2HB       ASN 107   1.899 -15.772   1.749
  833   2HB   ASN 107          1HB       ASN 107   1.128 -15.491   0.195
  834   1HD2  ASN 107          1HD2      ASN 107  -0.796 -16.305   0.608
  835   2HD2  ASN 107          2HD2      ASN 107  -1.095 -17.957   0.999
  836    H    THR 108           H        THR 108   4.452 -15.439   1.736
  837    HA   THR 108           HA       THR 108   5.243 -17.833   3.148
  838    HB   THR 108           HB       THR 108   6.917 -18.004   1.536
  839    HG1  THR 108           1HG      THR 108   8.577 -16.449   2.989
  840   1HG2  THR 108          1HG2      THR 108   6.864 -16.161   0.180
  841   2HG2  THR 108          2HG2      THR 108   8.392 -15.930   1.032
  842   3HG2  THR 108          3HG2      THR 108   6.959 -15.029   1.529
  843    H    GLU 109           H        GLU 109   6.082 -14.382   2.733
  844    HA   GLU 109           HA       GLU 109   5.201 -13.629   5.287
  845   1HB   GLU 109          2HB       GLU 109   7.063 -14.925   6.140
  846   2HB   GLU 109          1HB       GLU 109   8.178 -14.099   5.061
  847   1HG   GLU 109          2HG       GLU 109   8.369 -13.269   7.333
  848   2HG   GLU 109          1HG       GLU 109   7.800 -12.008   6.240
  849    H    ARG 110           H        ARG 110   7.833 -12.933   3.002
  850    HA   ARG 110           HA       ARG 110   7.304 -10.072   3.245
  851   1HB   ARG 110          2HB       ARG 110   9.652 -10.995   3.234
  852   2HB   ARG 110          1HB       ARG 110   9.399 -11.457   1.558
  853   1HG   ARG 110          2HG       ARG 110  10.547  -9.438   1.423
  854   2HG   ARG 110          1HG       ARG 110   8.862  -8.987   1.155
  855   1HD   ARG 110          2HD       ARG 110  10.329  -8.785   3.782
  856   2HD   ARG 110          1HD       ARG 110  10.015  -7.442   2.685
  857    HE   ARG 110           HE       ARG 110   7.568  -8.623   3.281
  858   1HH1  ARG 110          1HH1      ARG 110  10.113  -6.919   4.940
  859   2HH1  ARG 110          2HH1      ARG 110   9.057  -6.244   6.137
  860   1HH2  ARG 110          1HH2      ARG 110   6.171  -7.744   4.854
  861   2HH2  ARG 110          2HH2      ARG 110   6.817  -6.715   6.087
  862    H    LEU 111           H        LEU 111   6.185 -12.632   1.493
  863    HA   LEU 111           HA       LEU 111   5.092 -10.869  -0.538
  864   1HB   LEU 111          2HB       LEU 111   6.978 -11.562  -1.736
  865   2HB   LEU 111          1HB       LEU 111   6.881 -13.200  -1.120
  866    HG   LEU 111           HG       LEU 111   4.978 -13.685  -2.522
  867   1HD1  LEU 111          1HD1      LEU 111   4.793 -10.805  -2.628
  868   2HD1  LEU 111          2HD1      LEU 111   3.575 -12.029  -2.992
  869   3HD1  LEU 111          3HD1      LEU 111   4.719 -11.526  -4.236
  870   1HD2  LEU 111          1HD2      LEU 111   6.538 -14.182  -4.023
  871   2HD2  LEU 111          2HD2      LEU 111   7.516 -12.787  -3.568
  872   3HD2  LEU 111          3HD2      LEU 111   6.220 -12.608  -4.753
  873    H    THR 112           H        THR 112   3.037 -11.182   0.192
  874    HA   THR 112           HA       THR 112   1.991 -13.931   0.056
  875    HB   THR 112           HB       THR 112   1.802 -12.816   2.286
  876    HG1  THR 112           1HG      THR 112  -0.761 -13.137   1.139
  877   1HG2  THR 112          1HG2      THR 112   1.068 -10.568   0.903
  878   2HG2  THR 112          2HG2      THR 112   0.870 -10.832   2.636
  879   3HG2  THR 112          3HG2      THR 112  -0.466 -11.166   1.533
  880    H    VAL 113           H        VAL 113   0.217 -14.323  -1.283
  881    HA   VAL 113           HA       VAL 113  -0.470 -12.079  -3.053
  882    HB   VAL 113           HB       VAL 113  -0.676 -14.996  -3.720
  883   1HG1  VAL 113          1HG1      VAL 113  -1.662 -12.668  -4.963
  884   2HG1  VAL 113          2HG1      VAL 113  -1.648 -14.313  -5.598
  885   3HG1  VAL 113          3HG1      VAL 113  -0.299 -13.225  -5.932
  886   1HG2  VAL 113          1HG2      VAL 113   1.578 -13.048  -3.920
  887   2HG2  VAL 113          2HG2      VAL 113   1.403 -14.312  -5.138
  888   3HG2  VAL 113          3HG2      VAL 113   1.599 -14.744  -3.440
  889    HA   PRO 114           HA       PRO 114  -4.715 -14.402  -2.379
  890   1HB   PRO 114          2HB       PRO 114  -4.238 -15.496   0.323
  891   2HB   PRO 114          1HB       PRO 114  -5.083 -16.230  -1.044
  892   1HG   PRO 114          2HG       PRO 114  -2.677 -17.096  -0.287
  893   2HG   PRO 114          1HG       PRO 114  -3.117 -17.000  -2.002
  894   1HD   PRO 114          2HD       PRO 114  -1.405 -15.156  -0.380
  895   2HD   PRO 114          1HD       PRO 114  -1.197 -15.725  -2.051
  896    H    HIS 115           H        HIS 115  -2.922 -12.203  -1.013
  897    HA   HIS 115           HA       HIS 115  -3.176 -10.362   0.249
  898   1HB   HIS 115          2HB       HIS 115  -6.120 -10.959  -0.065
  899   2HB   HIS 115          1HB       HIS 115  -5.425  -9.435   0.483
  900    HD1  HIS 115           1HD      HIS 115  -4.855 -11.624  -2.578
  901    HD2  HIS 115           2HD      HIS 115  -5.503  -7.665  -1.512
  902    HE1  HIS 115           1HE      HIS 115  -4.819 -10.330  -4.729
  903    HE2  HIS 115           2HE      HIS 115  -5.310  -7.953  -4.072
  904    H    TYR 116           H        TYR 116  -2.387 -10.651   2.208
  905    HA   TYR 116           HA       TYR 116  -3.976 -12.125   4.191
  906   1HB   TYR 116          2HB       TYR 116  -1.709 -12.983   3.855
  907   2HB   TYR 116          1HB       TYR 116  -1.038 -11.390   4.184
  908    HD1  TYR 116           1HD      TYR 116   0.201 -11.580   6.132
  909    HD2  TYR 116           2HD      TYR 116  -3.673 -13.337   5.986
  910    HE1  TYR 116           1HE      TYR 116   0.370 -12.142   8.520
  911    HE2  TYR 116           2HE      TYR 116  -3.513 -13.901   8.374
  912    HH   TYR 116           HH       TYR 116  -0.574 -13.655  10.129
  913    H    ASP 117           H        ASP 117  -4.792 -11.117   5.928
  914    HA   ASP 117           HA       ASP 117  -5.264  -9.521   7.482
  915   1HB   ASP 117          2HB       ASP 117  -2.806  -9.270   7.718
  916   2HB   ASP 117          1HB       ASP 117  -2.823  -8.071   6.431
  917    H    MET 118           H        MET 118  -5.629  -9.297   4.325
  918    HA   MET 118           HA       MET 118  -6.178  -6.562   3.837
  919   1HB   MET 118          2HB       MET 118  -7.622  -7.583   1.931
  920   2HB   MET 118          1HB       MET 118  -5.862  -7.837   1.892
  921   1HG   MET 118          2HG       MET 118  -6.936  -9.885   1.356
  922   2HG   MET 118          1HG       MET 118  -6.246 -10.055   2.961
  923   1HE   MET 118          1HE       MET 118  -8.178 -12.293   3.758
  924   2HE   MET 118          2HE       MET 118  -7.799 -12.097   2.047
  925   3HE   MET 118          3HE       MET 118  -9.476 -12.258   2.566
  926    H    LYS 119           H        LYS 119  -8.034  -9.149   5.214
  927    HA   LYS 119           HA       LYS 119 -10.567  -7.792   5.068
  928   1HB   LYS 119          2HB       LYS 119 -11.352  -9.652   6.514
  929   2HB   LYS 119          1HB       LYS 119 -10.516 -10.225   5.076
  930   1HG   LYS 119          2HG       LYS 119  -8.510 -10.642   6.375
  931   2HG   LYS 119          1HG       LYS 119  -9.292  -9.999   7.820
  932   1HD   LYS 119          2HD       LYS 119 -10.265 -12.395   6.269
  933   2HD   LYS 119          1HD       LYS 119  -9.260 -12.482   7.717
  934   1HE   LYS 119          2HE       LYS 119 -11.017 -11.293   8.973
  935   2HE   LYS 119          1HE       LYS 119 -12.023 -11.284   7.526
  936   1HZ   LYS 119          1HZ       LYS 119 -12.147 -13.650   7.569
  937   2HZ   LYS 119          2HZ       LYS 119 -12.544 -13.092   9.116
  938   3HZ   LYS 119          3HZ       LYS 119 -11.016 -13.756   8.824
  939    H    ASN 120           H        ASN 120  -7.981  -6.887   6.571
  940    HA   ASN 120           HA       ASN 120  -9.288  -6.307   9.137
  941   1HB   ASN 120          2HB       ASN 120  -6.413  -6.671   8.374
  942   2HB   ASN 120          1HB       ASN 120  -6.857  -5.828   9.851
  943   1HD2  ASN 120          1HD2      ASN 120  -6.052  -8.749   8.588
  944   2HD2  ASN 120          2HD2      ASN 120  -6.726  -9.785   9.794
  945    H    ARG 121           H        ARG 121  -8.650  -4.753   6.248
  946    HA   ARG 121           HA       ARG 121  -9.163  -2.229   7.462
  947   1HB   ARG 121          2HB       ARG 121  -7.115  -1.062   6.844
  948   2HB   ARG 121          1HB       ARG 121  -6.817  -2.334   8.017
  949   1HG   ARG 121          2HG       ARG 121  -6.395  -2.735   5.076
  950   2HG   ARG 121          1HG       ARG 121  -5.145  -2.082   6.136
  951   1HD   ARG 121          2HD       ARG 121  -6.503  -4.757   6.366
  952   2HD   ARG 121          1HD       ARG 121  -4.840  -4.462   5.866
  953    HE   ARG 121           HE       ARG 121  -5.734  -4.743   8.505
  954   1HH1  ARG 121          1HH1      ARG 121  -3.645  -2.681   6.621
  955   2HH1  ARG 121          2HH1      ARG 121  -2.617  -2.290   7.956
  956   1HH2  ARG 121          1HH2      ARG 121  -4.387  -4.228  10.262
  957   2HH2  ARG 121          2HH2      ARG 121  -3.037  -3.169  10.024
  958    H    GLY 122           H        GLY 122 -10.467  -1.259   6.180
  959   1HA   GLY 122          2HA       GLY 122 -10.530  -1.795   3.337
  960   2HA   GLY 122          1HA       GLY 122 -11.604  -0.717   4.237
  961    H    PHE 123           H        PHE 123  -8.418  -0.151   5.045
  962    HA   PHE 123           HA       PHE 123  -8.400   2.230   3.348
  963   1HB   PHE 123          2HB       PHE 123  -6.719   3.165   4.875
  964   2HB   PHE 123          1HB       PHE 123  -8.204   2.738   5.699
  965    HD1  PHE 123           1HD      PHE 123  -4.974   1.083   4.845
  966    HD2  PHE 123           2HD      PHE 123  -7.920   1.857   7.816
  967    HE1  PHE 123           1HE      PHE 123  -3.685  -0.244   6.463
  968    HE2  PHE 123           2HE      PHE 123  -6.633   0.540   9.442
  969    HZ   PHE 123           HZ       PHE 123  -4.480  -0.333   8.883
  970    H    MET 124           H        MET 124  -7.762  -0.355   2.376
  971    HA   MET 124           HA       MET 124  -5.359   0.321   0.968
  972   1HB   MET 124          2HB       MET 124  -5.417  -2.144   2.729
  973   2HB   MET 124          1HB       MET 124  -4.257  -1.896   1.432
  974   1HG   MET 124          2HG       MET 124  -3.628   0.258   2.652
  975   2HG   MET 124          1HG       MET 124  -4.529  -0.402   4.014
  976   1HE   MET 124          1HE       MET 124  -3.990  -3.474   3.644
  977   2HE   MET 124          2HE       MET 124  -3.789  -2.773   5.251
  978   3HE   MET 124          3HE       MET 124  -2.520  -3.789   4.567
  979    H    LEU 125           H        LEU 125  -7.868  -1.988   1.759
  980    HA   LEU 125           HA       LEU 125  -7.770  -3.304  -0.786
  981   1HB   LEU 125          2HB       LEU 125  -9.690  -3.385   1.521
  982   2HB   LEU 125          1HB       LEU 125  -9.854  -4.388   0.096
  983    HG   LEU 125           HG       LEU 125  -8.834  -5.501   2.091
  984   1HD1  LEU 125          1HD1      LEU 125  -7.749  -5.415  -0.641
  985   2HD1  LEU 125          2HD1      LEU 125  -8.317  -6.786   0.311
  986   3HD1  LEU 125          3HD1      LEU 125  -6.691  -6.152   0.560
  987   1HD2  LEU 125          1HD2      LEU 125  -7.450  -3.452   2.701
  988   2HD2  LEU 125          2HD2      LEU 125  -6.327  -3.989   1.452
  989   3HD2  LEU 125          3HD2      LEU 125  -6.674  -5.030   2.833
  990    H    TRP 126           H        TRP 126 -10.032  -0.989   0.763
  991    HA   TRP 126           HA       TRP 126 -11.863  -0.835  -1.334
  992   1HB   TRP 126          2HB       TRP 126 -12.592   0.202   0.614
  993   2HB   TRP 126          1HB       TRP 126 -11.069   1.044   0.860
  994    HD1  TRP 126           HD       TRP 126 -11.765   3.490   0.931
  995    HE1  TRP 126           1HE      TRP 126 -13.021   5.102  -0.631
  996    HE3  TRP 126           3HE      TRP 126 -13.398   0.134  -2.564
  997    HZ2  TRP 126           2HZ      TRP 126 -14.508   4.971  -3.021
  998    HZ3  TRP 126           3HZ      TRP 126 -14.735   0.961  -4.454
  999    HH2  TRP 126           HH       TRP 126 -15.278   3.331  -4.676
 1000    HA   PRO 127           HA       PRO 127  -9.113   2.918  -3.016
 1001   1HB   PRO 127          2HB       PRO 127  -6.429   2.249  -2.646
 1002   2HB   PRO 127          1HB       PRO 127  -7.309   3.497  -1.763
 1003   1HG   PRO 127          2HG       PRO 127  -6.714   0.682  -0.975
 1004   2HG   PRO 127          1HG       PRO 127  -6.715   2.148   0.020
 1005   1HD   PRO 127          2HD       PRO 127  -8.737   0.423   0.151
 1006   2HD   PRO 127          1HD       PRO 127  -9.040   2.173   0.190
 1007    H    LEU 128           H        LEU 128  -7.725  -0.370  -2.786
 1008    HA   LEU 128           HA       LEU 128  -6.894  -0.439  -5.518
 1009   1HB   LEU 128          2HB       LEU 128  -5.976  -1.909  -3.695
 1010   2HB   LEU 128          1HB       LEU 128  -7.490  -2.791  -3.720
 1011    HG   LEU 128           HG       LEU 128  -7.061  -3.279  -6.162
 1012   1HD1  LEU 128          1HD1      LEU 128  -5.359  -2.342  -7.208
 1013   2HD1  LEU 128          2HD1      LEU 128  -4.230  -3.080  -6.070
 1014   3HD1  LEU 128          3HD1      LEU 128  -4.918  -1.492  -5.726
 1015   1HD2  LEU 128          1HD2      LEU 128  -4.951  -4.795  -5.388
 1016   2HD2  LEU 128          2HD2      LEU 128  -6.642  -5.192  -5.087
 1017   3HD2  LEU 128          3HD2      LEU 128  -5.686  -4.398  -3.835
 1018    H    PHE 129           H        PHE 129  -9.878  -0.991  -3.872
 1019    HA   PHE 129           HA       PHE 129 -11.124  -2.677  -5.772
 1020   1HB   PHE 129          2HB       PHE 129 -11.932  -2.242  -3.419
 1021   2HB   PHE 129          1HB       PHE 129 -12.501  -0.674  -3.976
 1022    HD1  PHE 129           1HD      PHE 129 -14.447  -0.482  -5.376
 1023    HD2  PHE 129           2HD      PHE 129 -13.033  -4.298  -4.109
 1024    HE1  PHE 129           1HE      PHE 129 -16.579  -1.496  -6.066
 1025    HE2  PHE 129           2HE      PHE 129 -15.159  -5.317  -4.817
 1026    HZ   PHE 129           HZ       PHE 129 -16.935  -3.918  -5.791
 1027    H    GLU 130           H        GLU 130 -10.814   0.814  -5.448
 1028    HA   GLU 130           HA       GLU 130 -12.607   1.473  -7.555
 1029   1HB   GLU 130          2HB       GLU 130 -11.986   3.093  -5.813
 1030   2HB   GLU 130          1HB       GLU 130 -10.324   3.080  -6.388
 1031   1HG   GLU 130          2HG       GLU 130 -11.038   4.012  -8.519
 1032   2HG   GLU 130          1HG       GLU 130 -12.714   4.001  -7.968
 1033    H    ILE 131           H        ILE 131  -9.145   0.854  -7.361
 1034    HA   ILE 131           HA       ILE 131  -8.796   1.431 -10.190
 1035    HB   ILE 131           HB       ILE 131  -6.431   0.938  -9.833
 1036   1HG1  ILE 131          2HG1      ILE 131  -7.257   0.371  -6.970
 1037   2HG1  ILE 131          1HG1      ILE 131  -6.618  -0.798  -8.125
 1038   1HG2  ILE 131          1HG2      ILE 131  -6.756   2.687  -7.558
 1039   2HG2  ILE 131          2HG2      ILE 131  -7.890   3.087  -8.848
 1040   3HG2  ILE 131          3HG2      ILE 131  -6.157   3.043  -9.178
 1041   1HD1  ILE 131          1HD1      ILE 131  -4.617  -0.360  -7.283
 1042   2HD1  ILE 131          2HD1      ILE 131  -5.222   1.038  -6.393
 1043   3HD1  ILE 131          3HD1      ILE 131  -4.717   1.213  -8.073
 1044    H    ALA 132           H        ALA 132  -9.844  -1.140  -8.378
 1045    HA   ALA 132           HA       ALA 132  -9.887  -2.953 -10.530
 1046   1HB   ALA 132          1HB       ALA 132  -8.197  -4.456 -10.135
 1047   2HB   ALA 132          2HB       ALA 132  -8.042  -4.003  -8.437
 1048   3HB   ALA 132          3HB       ALA 132  -7.400  -2.945  -9.694
 1049    HA   PRO 133           HA       PRO 133 -12.696  -4.070  -7.060
 1050   1HB   PRO 133          2HB       PRO 133 -15.026  -3.581  -8.242
 1051   2HB   PRO 133          1HB       PRO 133 -14.015  -2.251  -7.663
 1052   1HG   PRO 133          2HG       PRO 133 -14.428  -3.243 -10.445
 1053   2HG   PRO 133          1HG       PRO 133 -14.218  -1.583  -9.865
 1054   1HD   PRO 133          2HD       PRO 133 -12.225  -3.222 -10.980
 1055   2HD   PRO 133          1HD       PRO 133 -11.964  -1.705 -10.098
 1056    H    GLU 134           H        GLU 134 -11.731  -5.522  -9.791
 1057    HA   GLU 134           HA       GLU 134 -13.488  -7.835  -9.377
 1058   1HB   GLU 134          2HB       GLU 134 -13.576  -8.218 -11.820
 1059   2HB   GLU 134          1HB       GLU 134 -14.368  -6.723 -11.344
 1060   1HG   GLU 134          2HG       GLU 134 -12.407  -5.453 -12.043
 1061   2HG   GLU 134          1HG       GLU 134 -11.604  -6.951 -12.514
 1062    H    LEU 135           H        LEU 135 -10.896  -7.315  -8.399
 1063    HA   LEU 135           HA       LEU 135  -8.803  -8.395  -9.899
 1064   1HB   LEU 135          2HB       LEU 135  -8.569  -7.096  -7.807
 1065   2HB   LEU 135          1HB       LEU 135  -9.181  -8.471  -6.909
 1066    HG   LEU 135           HG       LEU 135  -7.235  -9.799  -7.728
 1067   1HD1  LEU 135          1HD1      LEU 135  -6.940  -7.993  -9.647
 1068   2HD1  LEU 135          2HD1      LEU 135  -5.584  -8.936  -9.030
 1069   3HD1  LEU 135          3HD1      LEU 135  -5.841  -7.287  -8.463
 1070   1HD2  LEU 135          1HD2      LEU 135  -7.410  -7.992  -5.657
 1071   2HD2  LEU 135          2HD2      LEU 135  -5.875  -7.589  -6.423
 1072   3HD2  LEU 135          3HD2      LEU 135  -6.173  -9.232  -5.854
 1073    H    VAL 136           H        VAL 136 -11.042 -10.000  -7.629
 1074    HA   VAL 136           HA       VAL 136 -11.414 -12.219  -7.192
 1075    HB   VAL 136           HB       VAL 136 -10.578 -12.630 -10.069
 1076   1HG1  VAL 136          1HG1      VAL 136 -11.289 -14.468  -8.120
 1077   2HG1  VAL 136          2HG1      VAL 136 -11.278 -14.737  -9.865
 1078   3HG1  VAL 136          3HG1      VAL 136 -12.766 -14.242  -9.060
 1079   1HG2  VAL 136          1HG2      VAL 136 -12.237 -11.167 -10.503
 1080   2HG2  VAL 136          2HG2      VAL 136 -12.963 -11.354  -8.907
 1081   3HG2  VAL 136          3HG2      VAL 136 -13.276 -12.551 -10.164
 1082    H    PHE 137           H        PHE 137  -9.134 -11.434  -6.206
 1083    HA   PHE 137           HA       PHE 137  -6.750 -12.497  -7.083
 1084   1HB   PHE 137          2HB       PHE 137  -5.925 -12.166  -4.823
 1085   2HB   PHE 137          1HB       PHE 137  -6.944 -10.830  -5.313
 1086    HD1  PHE 137           1HD      PHE 137  -7.980  -9.925  -3.519
 1087    HD2  PHE 137           2HD      PHE 137  -7.657 -14.161  -3.747
 1088    HE1  PHE 137           1HE      PHE 137  -9.235 -10.131  -1.419
 1089    HE2  PHE 137           2HE      PHE 137  -8.920 -14.371  -1.651
 1090    HZ   PHE 137           HZ       PHE 137  -9.710 -12.356  -0.483
 1091    HA   PRO 138           HA       PRO 138  -5.586 -16.700  -6.367
 1092   1HB   PRO 138          2HB       PRO 138  -5.324 -15.882  -3.483
 1093   2HB   PRO 138          1HB       PRO 138  -4.320 -17.005  -4.413
 1094   1HG   PRO 138          2HG       PRO 138  -3.703 -14.362  -4.063
 1095   2HG   PRO 138          1HG       PRO 138  -3.179 -15.321  -5.459
 1096   1HD   PRO 138          2HD       PRO 138  -4.972 -13.088  -5.436
 1097   2HD   PRO 138          1HD       PRO 138  -4.494 -14.079  -6.824
 1098    H    ASP 139           H        ASP 139  -7.186 -15.873  -3.260
 1099    HA   ASP 139           HA       ASP 139  -8.519 -18.329  -3.069
 1100   1HB   ASP 139          2HB       ASP 139  -8.129 -16.779  -1.169
 1101   2HB   ASP 139          1HB       ASP 139  -9.370 -15.711  -1.817
 1102    H    GLY 140           H        GLY 140  -9.697 -15.208  -4.281
 1103   1HA   GLY 140          2HA       GLY 140 -11.141 -15.391  -6.298
 1104   2HA   GLY 140          1HA       GLY 140 -12.035 -16.630  -5.419
 1105    H    GLU 141           H        GLU 141 -10.730 -13.636  -4.227
 1106    HA   GLU 141           HA       GLU 141 -13.397 -12.479  -4.057
 1107   1HB   GLU 141          2HB       GLU 141 -11.539 -13.044  -1.787
 1108   2HB   GLU 141          1HB       GLU 141 -12.482 -11.564  -1.742
 1109   1HG   GLU 141          2HG       GLU 141 -13.709 -13.143  -0.529
 1110   2HG   GLU 141          1HG       GLU 141 -14.525 -12.997  -2.082
 1111    H    MET 142           H        MET 142 -13.222 -10.156  -3.450
 1112    HA   MET 142           HA       MET 142 -10.963  -8.977  -4.875
 1113   1HB   MET 142          2HB       MET 142 -13.728  -7.956  -4.255
 1114   2HB   MET 142          1HB       MET 142 -12.444  -6.898  -4.830
 1115   1HG   MET 142          2HG       MET 142 -13.753  -7.563  -6.702
 1116   2HG   MET 142          1HG       MET 142 -12.191  -8.363  -6.802
 1117   1HE   MET 142          1HE       MET 142 -15.737 -10.507  -4.928
 1118   2HE   MET 142          2HE       MET 142 -16.222  -9.275  -6.094
 1119   3HE   MET 142          3HE       MET 142 -15.242  -8.831  -4.697
 1120    H    LEU 143           H        LEU 143 -11.060  -6.426  -3.818
 1121    HA   LEU 143           HA       LEU 143  -9.711  -6.893  -1.303
 1122   1HB   LEU 143          2HB       LEU 143 -10.242  -4.269  -2.671
 1123   2HB   LEU 143          1HB       LEU 143  -9.021  -4.614  -1.467
 1124    HG   LEU 143           HG       LEU 143  -7.860  -4.460  -3.455
 1125   1HD1  LEU 143          1HD1      LEU 143  -7.141  -6.381  -2.218
 1126   2HD1  LEU 143          2HD1      LEU 143  -7.064  -6.751  -3.940
 1127   3HD1  LEU 143          3HD1      LEU 143  -8.390  -7.379  -2.963
 1128   1HD2  LEU 143          1HD2      LEU 143  -9.012  -4.520  -5.355
 1129   2HD2  LEU 143          2HD2      LEU 143 -10.288  -5.500  -4.633
 1130   3HD2  LEU 143          3HD2      LEU 143  -8.847  -6.275  -5.293
 1131    H    ARG 144           H        ARG 144 -11.895  -4.349  -2.238
 1132    HA   ARG 144           HA       ARG 144 -12.754  -3.676   0.285
 1133   1HB   ARG 144          2HB       ARG 144 -12.992  -2.036  -1.338
 1134   2HB   ARG 144          1HB       ARG 144 -13.826  -3.122  -2.433
 1135   1HG   ARG 144          2HG       ARG 144 -15.719  -3.172  -0.798
 1136   2HG   ARG 144          1HG       ARG 144 -14.899  -1.901   0.103
 1137   1HD   ARG 144          2HD       ARG 144 -15.026  -0.425  -1.805
 1138   2HD   ARG 144          1HD       ARG 144 -15.712  -1.707  -2.797
 1139    HE   ARG 144           HE       ARG 144 -17.339  -1.274  -0.535
 1140   1HH1  ARG 144          1HH1      ARG 144 -16.433   0.209  -3.555
 1141   2HH1  ARG 144          2HH1      ARG 144 -17.926   1.068  -3.732
 1142   1HH2  ARG 144          1HH2      ARG 144 -19.312  -0.147  -0.760
 1143   2HH2  ARG 144          2HH2      ARG 144 -19.563   0.865  -2.144
 1144    H    GLN 145           H        GLN 145 -14.521  -5.667  -2.113
 1145    HA   GLN 145           HA       GLN 145 -16.822  -5.960  -0.665
 1146   1HB   GLN 145          2HB       GLN 145 -17.363  -7.422  -2.267
 1147   2HB   GLN 145          1HB       GLN 145 -15.754  -7.172  -2.920
 1148   1HG   GLN 145          2HG       GLN 145 -16.594  -9.351  -1.028
 1149   2HG   GLN 145          1HG       GLN 145 -16.257  -9.518  -2.750
 1150   1HE2  GLN 145          1HE2      GLN 145 -14.110  -7.336  -1.900
 1151   2HE2  GLN 145          2HE2      GLN 145 -12.814  -8.305  -1.351
 1152    H    ILE 146           H        ILE 146 -13.640  -7.246   0.112
 1153    HA   ILE 146           HA       ILE 146 -14.586  -9.111   2.086
 1154    HB   ILE 146           HB       ILE 146 -11.833  -7.870   1.847
 1155   1HG1  ILE 146          2HG1      ILE 146 -13.012 -10.370   0.627
 1156   2HG1  ILE 146          1HG1      ILE 146 -12.267  -9.008  -0.206
 1157   1HG2  ILE 146          1HG2      ILE 146 -11.084  -9.388   3.396
 1158   2HG2  ILE 146          2HG2      ILE 146 -12.390 -10.528   3.075
 1159   3HG2  ILE 146          3HG2      ILE 146 -12.706  -9.065   4.007
 1160   1HD1  ILE 146          1HD1      ILE 146 -10.788 -10.894   1.612
 1161   2HD1  ILE 146          2HD1      ILE 146 -10.099  -9.633   0.591
 1162   3HD1  ILE 146          3HD1      ILE 146 -10.862 -11.044  -0.144
 1163    H    LEU 147           H        LEU 147 -13.424  -5.781   1.998
 1164    HA   LEU 147           HA       LEU 147 -13.493  -5.347   4.846
 1165   1HB   LEU 147          2HB       LEU 147 -13.952  -3.131   2.914
 1166   2HB   LEU 147          1HB       LEU 147 -12.966  -3.157   4.363
 1167    HG   LEU 147           HG       LEU 147 -12.151  -4.721   1.950
 1168   1HD1  LEU 147          1HD1      LEU 147 -12.615  -1.990   1.889
 1169   2HD1  LEU 147          2HD1      LEU 147 -11.592  -2.907   0.780
 1170   3HD1  LEU 147          3HD1      LEU 147 -10.884  -2.131   2.189
 1171   1HD2  LEU 147          1HD2      LEU 147 -10.863  -3.630   4.423
 1172   2HD2  LEU 147          2HD2      LEU 147  -9.895  -4.004   2.998
 1173   3HD2  LEU 147          3HD2      LEU 147 -10.833  -5.273   3.782
 1174    H    HIS 148           H        HIS 148 -15.549  -4.552   2.143
 1175    HA   HIS 148           HA       HIS 148 -17.542  -3.138   3.250
 1176   1HB   HIS 148          2HB       HIS 148 -17.363  -3.676   0.862
 1177   2HB   HIS 148          1HB       HIS 148 -17.827  -5.352   1.185
 1178    HD1  HIS 148           1HD      HIS 148 -19.846  -4.565  -0.561
 1179    HD2  HIS 148           2HD      HIS 148 -19.873  -2.985   3.286
 1180    HE1  HIS 148           1HE      HIS 148 -22.172  -3.656  -0.234
 1181    HE2  HIS 148           2HE      HIS 148 -22.206  -2.811   2.143
 1182    H    THR 149           H        THR 149 -16.960  -6.581   3.501
 1183    HA   THR 149           HA       THR 149 -19.352  -6.810   5.214
 1184    HB   THR 149           HB       THR 149 -19.318  -8.309   3.289
 1185    HG1  THR 149           1HG      THR 149 -20.267  -9.669   4.545
 1186   1HG2  THR 149          1HG2      THR 149 -17.073  -9.873   4.456
 1187   2HG2  THR 149          2HG2      THR 149 -16.729  -8.524   3.373
 1188   3HG2  THR 149          3HG2      THR 149 -17.717  -9.873   2.815
 1189    H    ARG 150           H        ARG 150 -15.881  -6.996   5.301
 1190    HA   ARG 150           HA       ARG 150 -16.065  -8.142   8.009
 1191   1HB   ARG 150          2HB       ARG 150 -13.764  -8.261   6.069
 1192   2HB   ARG 150          1HB       ARG 150 -13.755  -8.927   7.699
 1193   1HG   ARG 150          2HG       ARG 150 -15.538 -10.460   7.108
 1194   2HG   ARG 150          1HG       ARG 150 -15.620  -9.766   5.487
 1195   1HD   ARG 150          2HD       ARG 150 -13.366 -10.504   5.023
 1196   2HD   ARG 150          1HD       ARG 150 -13.195 -11.100   6.671
 1197    HE   ARG 150           HE       ARG 150 -15.410 -12.343   5.475
 1198   1HH1  ARG 150          1HH1      ARG 150 -11.930 -12.297   5.264
 1199   2HH1  ARG 150          2HH1      ARG 150 -11.817 -13.919   4.672
 1200   1HH2  ARG 150          1HH2      ARG 150 -15.267 -14.481   4.694
 1201   2HH2  ARG 150          2HH2      ARG 150 -13.711 -15.160   4.347
 1202    H    ALA 151           H        ALA 151 -15.015  -5.308   6.289
 1203    HA   ALA 151           HA       ALA 151 -13.787  -4.376   8.794
 1204   1HB   ALA 151          1HB       ALA 151 -12.671  -2.963   6.593
 1205   2HB   ALA 151          2HB       ALA 151 -12.529  -4.694   6.284
 1206   3HB   ALA 151          3HB       ALA 151 -11.863  -4.003   7.765
 1207    H    PHE 152           H        PHE 152 -14.251  -2.596   5.786
 1208    HA   PHE 152           HA       PHE 152 -16.340  -1.012   7.089
 1209   1HB   PHE 152          2HB       PHE 152 -13.809  -0.041   5.790
 1210   2HB   PHE 152          1HB       PHE 152 -15.222   0.977   5.957
 1211    HD1  PHE 152           1HD      PHE 152 -15.333   2.359   7.807
 1212    HD2  PHE 152           2HD      PHE 152 -13.091  -1.252   8.038
 1213    HE1  PHE 152           1HE      PHE 152 -14.610   2.959  10.081
 1214    HE2  PHE 152           2HE      PHE 152 -12.367  -0.658  10.314
 1215    HZ   PHE 152           HZ       PHE 152 -13.158   1.454  11.347
 1216    H    ASP 153           H        ASP 153 -17.406   0.479   5.462
 1217    HA   ASP 153           HA       ASP 153 -18.007  -1.108   3.102
 1218   1HB   ASP 153          2HB       ASP 153 -19.923   0.474   2.835
 1219   2HB   ASP 153          1HB       ASP 153 -19.920  -0.382   4.371
 1220    H    LYS 154           H        LYS 154 -16.877   2.144   3.942
 1221    HA   LYS 154           HA       LYS 154 -15.243   2.420   1.698
 1222   1HB   LYS 154          2HB       LYS 154 -17.449   2.470   0.519
 1223   2HB   LYS 154          1HB       LYS 154 -17.849   3.927   1.412
 1224   1HG   LYS 154          2HG       LYS 154 -15.342   3.876  -0.188
 1225   2HG   LYS 154          1HG       LYS 154 -16.886   4.038  -1.022
 1226   1HD   LYS 154          2HD       LYS 154 -16.093   5.807   1.275
 1227   2HD   LYS 154          1HD       LYS 154 -15.687   6.188  -0.398
 1228   1HE   LYS 154          2HE       LYS 154 -17.706   7.351   0.219
 1229   2HE   LYS 154          1HE       LYS 154 -18.090   6.104  -0.964
 1230   1HZ   LYS 154          1HZ       LYS 154 -19.063   4.765   0.667
 1231   2HZ   LYS 154          2HZ       LYS 154 -19.621   6.322   1.023
 1232   3HZ   LYS 154          3HZ       LYS 154 -18.378   5.641   1.945
 1233    H    LEU 155           H        LEU 155 -13.722   3.587   2.648
 1234    HA   LEU 155           HA       LEU 155 -14.178   5.387   4.790
 1235   1HB   LEU 155          2HB       LEU 155 -11.754   5.001   3.039
 1236   2HB   LEU 155          1HB       LEU 155 -11.780   5.941   4.518
 1237    HG   LEU 155           HG       LEU 155 -12.279   2.958   4.322
 1238   1HD1  LEU 155          1HD1      LEU 155 -10.107   2.642   4.674
 1239   2HD1  LEU 155          2HD1      LEU 155 -10.045   3.882   5.927
 1240   3HD1  LEU 155          3HD1      LEU 155  -9.885   4.334   4.229
 1241   1HD2  LEU 155          1HD2      LEU 155 -12.395   2.953   6.703
 1242   2HD2  LEU 155          2HD2      LEU 155 -13.535   4.168   6.129
 1243   3HD2  LEU 155          3HD2      LEU 155 -11.978   4.664   6.792
 1244    H    ASN 156           H        ASN 156 -12.279   7.487   3.968
 1245    HA   ASN 156           HA       ASN 156 -14.022   8.960   2.100
 1246   1HB   ASN 156          2HB       ASN 156 -12.569   9.992   4.545
 1247   2HB   ASN 156          1HB       ASN 156 -13.361  11.023   3.363
 1248   1HD2  ASN 156          1HD2      ASN 156 -15.303   8.485   3.321
 1249   2HD2  ASN 156          2HD2      ASN 156 -16.401   8.888   4.590
 1250    H    LYS 157           H        LYS 157 -13.043   9.727   0.329
 1251    HA   LYS 157           HA       LYS 157 -10.318   9.203  -0.196
 1252   1HB   LYS 157          2HB       LYS 157 -12.436   9.774  -1.750
 1253   2HB   LYS 157          1HB       LYS 157 -11.662  11.347  -1.746
 1254   1HG   LYS 157          2HG       LYS 157 -10.939  10.071  -3.662
 1255   2HG   LYS 157          1HG       LYS 157  -9.586  10.299  -2.551
 1256   1HD   LYS 157          2HD       LYS 157  -9.633   8.014  -3.396
 1257   2HD   LYS 157          1HD       LYS 157  -9.935   8.047  -1.658
 1258   1HE   LYS 157          2HE       LYS 157 -12.358   7.889  -2.112
 1259   2HE   LYS 157          1HE       LYS 157 -12.006   7.772  -3.836
 1260   1HZ   LYS 157          1HZ       LYS 157 -12.373   5.631  -2.489
 1261   2HZ   LYS 157          2HZ       LYS 157 -10.793   5.873  -1.938
 1262   3HZ   LYS 157          3HZ       LYS 157 -11.090   5.682  -3.591
 1263    H    TRP 158           H        TRP 158  -9.103  10.096   1.423
 1264    HA   TRP 158           HA       TRP 158  -7.950  11.642   2.597
 1265   1HB   TRP 158          2HB       TRP 158  -7.135  12.044   0.249
 1266   2HB   TRP 158          1HB       TRP 158  -8.302  13.353   0.127
 1267    HD1  TRP 158           HD       TRP 158  -5.998  12.651   3.158
 1268    HE1  TRP 158           1HE      TRP 158  -4.533  14.731   3.546
 1269    HE3  TRP 158           3HE      TRP 158  -7.449  15.432  -0.880
 1270    HZ2  TRP 158           2HZ      TRP 158  -4.056  17.222   2.305
 1271    HZ3  TRP 158           3HZ      TRP 158  -6.440  17.652  -1.207
 1272    HH2  TRP 158           HH       TRP 158  -4.779  18.527   0.355
  Start of MODEL   11
    1   1H    THR   1          1HT       THR   1   4.895  -9.215 -14.103
    2   2H    THR   1          2HT       THR   1   3.496  -8.932 -15.012
    3   3H    THR   1          3HT       THR   1   4.222 -10.460 -15.030
    4    HA   THR   1           HA       THR   1   2.370 -10.678 -13.634
    5    HB   THR   1           HB       THR   1   4.891 -10.226 -12.025
    6    HG1  THR   1           1HG      THR   1   3.789 -12.636 -13.018
    7   1HG2  THR   1          1HG2      THR   1   2.850 -10.340 -10.591
    8   2HG2  THR   1          2HG2      THR   1   4.024 -11.630 -10.320
    9   3HG2  THR   1          3HG2      THR   1   2.561 -11.954 -11.247
   10    H    VAL   2           H        VAL   2   0.831  -9.073 -13.550
   11    HA   VAL   2           HA       VAL   2   1.284  -6.533 -12.376
   12    HB   VAL   2           HB       VAL   2  -0.501  -6.793 -13.983
   13   1HG1  VAL   2          1HG1      VAL   2  -2.226  -8.323 -12.110
   14   2HG1  VAL   2          2HG1      VAL   2  -0.996  -9.202 -13.017
   15   3HG1  VAL   2          3HG1      VAL   2  -2.231  -8.277 -13.872
   16   1HG2  VAL   2          1HG2      VAL   2  -2.270  -6.281 -11.741
   17   2HG2  VAL   2          2HG2      VAL   2  -1.711  -5.194 -13.012
   18   3HG2  VAL   2          3HG2      VAL   2  -0.722  -5.452 -11.575
   19    H    ALA   3           H        ALA   3   1.953  -6.473 -10.326
   20    HA   ALA   3           HA       ALA   3   0.588  -8.114  -8.317
   21   1HB   ALA   3          1HB       ALA   3   3.160  -7.991  -8.613
   22   2HB   ALA   3          2HB       ALA   3   2.477  -7.952  -6.987
   23   3HB   ALA   3          3HB       ALA   3   3.015  -6.457  -7.754
   24    H    TYR   4           H        TYR   4  -0.410  -7.229  -6.519
   25    HA   TYR   4           HA       TYR   4  -1.192  -4.440  -6.831
   26   1HB   TYR   4          2HB       TYR   4  -3.007  -5.957  -6.373
   27   2HB   TYR   4          1HB       TYR   4  -2.186  -6.569  -4.936
   28    HD1  TYR   4           1HD      TYR   4  -2.985  -5.785  -2.922
   29    HD2  TYR   4           2HD      TYR   4  -3.206  -3.241  -6.321
   30    HE1  TYR   4           1HE      TYR   4  -4.048  -4.052  -1.544
   31    HE2  TYR   4           2HE      TYR   4  -4.272  -1.498  -4.953
   32    HH   TYR   4           HH       TYR   4  -5.767  -1.705  -2.544
   33    H    ILE   5           H        ILE   5   0.231  -3.061  -6.076
   34    HA   ILE   5           HA       ILE   5   1.631  -3.499  -3.560
   35    HB   ILE   5           HB       ILE   5   1.915  -0.994  -5.174
   36   1HG1  ILE   5          2HG1      ILE   5   3.161  -3.642  -5.933
   37   2HG1  ILE   5          1HG1      ILE   5   1.869  -2.853  -6.816
   38   1HG2  ILE   5          1HG2      ILE   5   3.309  -2.336  -3.064
   39   2HG2  ILE   5          2HG2      ILE   5   3.577  -0.726  -3.733
   40   3HG2  ILE   5          3HG2      ILE   5   4.383  -2.123  -4.446
   41   1HD1  ILE   5          1HD1      ILE   5   3.446  -0.904  -7.104
   42   2HD1  ILE   5          2HD1      ILE   5   3.849  -2.381  -7.978
   43   3HD1  ILE   5          3HD1      ILE   5   4.714  -1.968  -6.498
   44    H    ALA   6           H        ALA   6   1.215  -2.341  -1.721
   45    HA   ALA   6           HA       ALA   6  -1.003  -0.403  -1.855
   46   1HB   ALA   6          1HB       ALA   6  -0.495  -1.439   0.795
   47   2HB   ALA   6          2HB       ALA   6  -0.817  -2.733  -0.359
   48   3HB   ALA   6          3HB       ALA   6  -1.987  -1.430  -0.146
   49    H    ILE   7           H        ILE   7  -0.356   1.639  -1.615
   50    HA   ILE   7           HA       ILE   7   2.119   2.186  -0.154
   51    HB   ILE   7           HB       ILE   7   0.444   3.993  -1.900
   52   1HG1  ILE   7          2HG1      ILE   7   3.140   2.685  -2.335
   53   2HG1  ILE   7          1HG1      ILE   7   1.637   2.255  -3.144
   54   1HG2  ILE   7          1HG2      ILE   7   1.956   5.723  -1.548
   55   2HG2  ILE   7          2HG2      ILE   7   3.190   4.642  -0.897
   56   3HG2  ILE   7          3HG2      ILE   7   1.763   5.030   0.062
   57   1HD1  ILE   7          1HD1      ILE   7   3.088   4.879  -3.398
   58   2HD1  ILE   7          2HD1      ILE   7   1.581   4.447  -4.210
   59   3HD1  ILE   7          3HD1      ILE   7   3.068   3.577  -4.587
   60    H    GLY   8           H        GLY   8   2.163   3.094   1.811
   61   1HA   GLY   8          2HA       GLY   8  -0.303   4.381   2.786
   62   2HA   GLY   8          1HA       GLY   8   0.504   3.159   3.753
   63    H    SER   9           H        SER   9   0.065   6.363   3.452
   64    HA   SER   9           HA       SER   9   2.587   6.966   4.841
   65   1HB   SER   9          2HB       SER   9   1.212   8.750   2.811
   66   2HB   SER   9          1HB       SER   9   2.651   9.167   3.740
   67    HG   SER   9           HG       SER   9   2.583   7.978   1.425
   68    H    ASN  10           H        ASN  10   2.360   9.129   6.084
   69    HA   ASN  10           HA       ASN  10  -0.345   9.782   6.869
   70   1HB   ASN  10          2HB       ASN  10   0.095   9.339   9.294
   71   2HB   ASN  10          1HB       ASN  10  -0.044   7.897   8.298
   72   1HD2  ASN  10          1HD2      ASN  10   2.871   9.165   7.519
   73   2HD2  ASN  10          2HD2      ASN  10   3.867   8.319   8.644
   74    H    LEU  11           H        LEU  11  -0.468  11.875   7.078
   75    HA   LEU  11           HA       LEU  11   0.956  13.521   8.758
   76   1HB   LEU  11          2HB       LEU  11   2.408  12.966   6.304
   77   2HB   LEU  11          1HB       LEU  11   2.068  14.676   6.474
   78    HG   LEU  11           HG       LEU  11   3.554  12.953   8.459
   79   1HD1  LEU  11          1HD1      LEU  11   4.540  13.882   6.162
   80   2HD1  LEU  11          2HD1      LEU  11   5.493  13.794   7.643
   81   3HD1  LEU  11          3HD1      LEU  11   4.757  15.320   7.156
   82   1HD2  LEU  11          1HD2      LEU  11   2.823  15.878   8.539
   83   2HD2  LEU  11          2HD2      LEU  11   3.987  15.107   9.615
   84   3HD2  LEU  11          3HD2      LEU  11   2.293  14.620   9.653
   85    H    ALA  12           H        ALA  12   0.670  15.900   8.190
   86    HA   ALA  12           HA       ALA  12  -2.020  16.344   7.374
   87   1HB   ALA  12          1HB       ALA  12   0.270  18.092   8.163
   88   2HB   ALA  12          2HB       ALA  12  -1.326  17.931   8.896
   89   3HB   ALA  12          3HB       ALA  12  -1.135  18.818   7.382
   90    H    SER  13           H        SER  13   0.984  16.157   5.796
   91    HA   SER  13           HA       SER  13  -0.189  16.409   3.194
   92   1HB   SER  13          2HB       SER  13   1.878  18.441   4.088
   93   2HB   SER  13          1HB       SER  13   1.346  18.211   2.423
   94    HG   SER  13           HG       SER  13   0.299  19.896   3.889
   95    HA   PRO  14           HA       PRO  14   3.542  13.665   3.742
   96   1HB   PRO  14          2HB       PRO  14   2.368  11.296   3.280
   97   2HB   PRO  14          1HB       PRO  14   2.317  12.069   4.869
   98   1HG   PRO  14          2HG       PRO  14   0.223  11.984   2.735
   99   2HG   PRO  14          1HG       PRO  14   0.043  11.796   4.488
  100   1HD   PRO  14          2HD       PRO  14  -0.475  14.126   3.141
  101   2HD   PRO  14          1HD       PRO  14   0.002  14.055   4.847
  102    H    LEU  15           H        LEU  15   2.716  15.199   1.424
  103    HA   LEU  15           HA       LEU  15   2.505  13.535  -0.861
  104   1HB   LEU  15          2HB       LEU  15   3.745  16.269  -0.888
  105   2HB   LEU  15          1HB       LEU  15   2.796  15.487  -2.138
  106    HG   LEU  15           HG       LEU  15   1.757  16.555   0.479
  107   1HD1  LEU  15          1HD1      LEU  15   1.966  17.637  -2.252
  108   2HD1  LEU  15          2HD1      LEU  15   1.905  18.470  -0.699
  109   3HD1  LEU  15          3HD1      LEU  15   0.419  17.879  -1.441
  110   1HD2  LEU  15          1HD2      LEU  15   0.710  14.460  -0.941
  111   2HD2  LEU  15          2HD2      LEU  15  -0.166  15.841  -1.601
  112   3HD2  LEU  15          3HD2      LEU  15  -0.200  15.523   0.134
  113    H    GLU  16           H        GLU  16   5.105  14.562   1.142
  114    HA   GLU  16           HA       GLU  16   7.218  14.230  -0.699
  115   1HB   GLU  16          2HB       GLU  16   7.254  14.099   2.318
  116   2HB   GLU  16          1HB       GLU  16   8.674  14.239   1.291
  117   1HG   GLU  16          2HG       GLU  16   6.450  16.255   1.509
  118   2HG   GLU  16          1HG       GLU  16   8.043  16.383   2.255
  119    H    GLN  17           H        GLN  17   5.845  12.073   1.776
  120    HA   GLN  17           HA       GLN  17   7.652   9.945   1.075
  121   1HB   GLN  17          2HB       GLN  17   5.880   8.665   2.614
  122   2HB   GLN  17          1HB       GLN  17   7.182   9.645   3.267
  123   1HG   GLN  17          2HG       GLN  17   4.459  10.778   2.743
  124   2HG   GLN  17          1HG       GLN  17   4.858   9.954   4.249
  125   1HE2  GLN  17          1HE2      GLN  17   7.650  11.342   3.237
  126   2HE2  GLN  17          2HE2      GLN  17   7.555  12.843   4.087
  127    H    VAL  18           H        VAL  18   4.117  10.408   0.769
  128    HA   VAL  18           HA       VAL  18   3.444   8.052  -0.441
  129    HB   VAL  18           HB       VAL  18   1.795   9.800   0.094
  130   1HG1  VAL  18          1HG1      VAL  18   1.398  11.663  -1.385
  131   2HG1  VAL  18          2HG1      VAL  18   2.718  11.154  -2.437
  132   3HG1  VAL  18          3HG1      VAL  18   3.061  11.720  -0.801
  133   1HG2  VAL  18          1HG2      VAL  18   1.791   8.699  -2.704
  134   2HG2  VAL  18          2HG2      VAL  18   0.403   9.525  -1.994
  135   3HG2  VAL  18          3HG2      VAL  18   1.009   8.036  -1.271
  136    H    ASN  19           H        ASN  19   4.703  10.946  -2.104
  137    HA   ASN  19           HA       ASN  19   4.838   9.624  -4.640
  138   1HB   ASN  19          2HB       ASN  19   5.998  12.246  -3.677
  139   2HB   ASN  19          1HB       ASN  19   6.117  11.669  -5.336
  140   1HD2  ASN  19          1HD2      ASN  19   4.544  13.792  -3.556
  141   2HD2  ASN  19          2HD2      ASN  19   2.999  13.801  -4.330
  142    H    ALA  20           H        ALA  20   6.895   9.947  -1.885
  143    HA   ALA  20           HA       ALA  20   9.426   9.581  -2.967
  144   1HB   ALA  20          1HB       ALA  20   8.799   8.095  -0.481
  145   2HB   ALA  20          2HB       ALA  20   8.530   9.838  -0.467
  146   3HB   ALA  20          3HB       ALA  20  10.130   9.196  -0.840
  147    H    ALA  21           H        ALA  21   7.169   7.076  -1.811
  148    HA   ALA  21           HA       ALA  21   8.690   4.883  -2.780
  149   1HB   ALA  21          1HB       ALA  21   7.183   4.018  -1.335
  150   2HB   ALA  21          2HB       ALA  21   6.152   3.914  -2.762
  151   3HB   ALA  21          3HB       ALA  21   5.993   5.280  -1.658
  152    H    LEU  22           H        LEU  22   6.298   7.036  -4.125
  153    HA   LEU  22           HA       LEU  22   5.666   5.586  -6.457
  154   1HB   LEU  22          2HB       LEU  22   5.590   8.525  -5.803
  155   2HB   LEU  22          1HB       LEU  22   5.062   7.901  -7.350
  156    HG   LEU  22           HG       LEU  22   3.868   7.160  -4.679
  157   1HD1  LEU  22          1HD1      LEU  22   3.495   9.458  -6.267
  158   2HD1  LEU  22          2HD1      LEU  22   2.565   8.942  -4.860
  159   3HD1  LEU  22          3HD1      LEU  22   2.065   8.448  -6.477
  160   1HD2  LEU  22          1HD2      LEU  22   3.857   5.482  -6.658
  161   2HD2  LEU  22          2HD2      LEU  22   2.658   6.576  -7.351
  162   3HD2  LEU  22          3HD2      LEU  22   2.356   5.808  -5.791
  163    H    LYS  23           H        LYS  23   8.439   7.405  -5.519
  164    HA   LYS  23           HA       LYS  23   9.436   7.959  -8.141
  165   1HB   LYS  23          2HB       LYS  23  10.990   7.727  -5.554
  166   2HB   LYS  23          1HB       LYS  23  11.543   8.491  -7.034
  167   1HG   LYS  23          2HG       LYS  23   9.364   9.435  -5.191
  168   2HG   LYS  23          1HG       LYS  23  10.924  10.197  -5.497
  169   1HD   LYS  23          2HD       LYS  23  10.171  10.409  -7.917
  170   2HD   LYS  23          1HD       LYS  23   8.560   9.972  -7.341
  171   1HE   LYS  23          2HE       LYS  23  10.207  12.331  -6.436
  172   2HE   LYS  23          1HE       LYS  23   8.788  12.388  -7.480
  173   1HZ   LYS  23          1HZ       LYS  23   7.770  11.125  -5.396
  174   2HZ   LYS  23          2HZ       LYS  23   7.782  12.811  -5.523
  175   3HZ   LYS  23          3HZ       LYS  23   8.961  12.025  -4.598
  176    H    ALA  24           H        ALA  24  10.366   5.607  -5.637
  177    HA   ALA  24           HA       ALA  24  12.092   4.125  -7.341
  178   1HB   ALA  24          1HB       ALA  24  12.728   3.349  -5.360
  179   2HB   ALA  24          2HB       ALA  24  11.208   2.462  -5.240
  180   3HB   ALA  24          3HB       ALA  24  11.327   4.098  -4.590
  181    H    LEU  25           H        LEU  25   8.692   3.942  -6.563
  182    HA   LEU  25           HA       LEU  25   8.337   1.366  -7.806
  183   1HB   LEU  25          2HB       LEU  25   6.925   2.390  -5.886
  184   2HB   LEU  25          1HB       LEU  25   6.103   3.267  -7.166
  185    HG   LEU  25           HG       LEU  25   5.461   1.139  -8.214
  186   1HD1  LEU  25          1HD1      LEU  25   5.989  -0.611  -6.013
  187   2HD1  LEU  25          2HD1      LEU  25   7.500   0.100  -6.578
  188   3HD1  LEU  25          3HD1      LEU  25   6.464  -0.773  -7.704
  189   1HD2  LEU  25          1HD2      LEU  25   4.650   0.864  -5.361
  190   2HD2  LEU  25          2HD2      LEU  25   3.672   0.781  -6.826
  191   3HD2  LEU  25          3HD2      LEU  25   4.229   2.344  -6.224
  192    H    GLY  26           H        GLY  26   8.601   4.571  -8.836
  193   1HA   GLY  26          2HA       GLY  26   6.939   4.317 -11.191
  194   2HA   GLY  26          1HA       GLY  26   8.037   5.647 -10.819
  195    H    ASP  27           H        ASP  27  10.288   4.059 -10.264
  196    HA   ASP  27           HA       ASP  27  10.875   2.773 -12.834
  197   1HB   ASP  27          2HB       ASP  27  12.657   4.719 -11.352
  198   2HB   ASP  27          1HB       ASP  27  13.142   3.764 -12.745
  199    H    ILE  28           H        ILE  28  10.915   0.733 -12.147
  200    HA   ILE  28           HA       ILE  28  12.599   0.031  -9.829
  201    HB   ILE  28           HB       ILE  28  10.584  -1.832 -11.034
  202   1HG1  ILE  28          2HG1      ILE  28   8.972  -0.973  -9.236
  203   2HG1  ILE  28          1HG1      ILE  28  10.000   0.456  -9.161
  204   1HG2  ILE  28          1HG2      ILE  28  10.455  -2.232  -8.386
  205   2HG2  ILE  28          2HG2      ILE  28  12.104  -1.624  -8.521
  206   3HG2  ILE  28          3HG2      ILE  28  11.611  -3.047  -9.439
  207   1HD1  ILE  28          1HD1      ILE  28   8.958  -0.422 -11.801
  208   2HD1  ILE  28          2HD1      ILE  28   9.352   1.194 -11.221
  209   3HD1  ILE  28          3HD1      ILE  28   7.877   0.398 -10.677
  210    HA   PRO  29           HA       PRO  29  15.711  -2.054 -12.222
  211   1HB   PRO  29          2HB       PRO  29  14.574  -4.482 -10.868
  212   2HB   PRO  29          1HB       PRO  29  16.260  -4.065 -11.182
  213   1HG   PRO  29          2HG       PRO  29  15.143  -3.641  -8.781
  214   2HG   PRO  29          1HG       PRO  29  16.355  -2.539  -9.457
  215   1HD   PRO  29          2HD       PRO  29  13.490  -2.107  -9.021
  216   2HD   PRO  29          1HD       PRO  29  14.772  -0.921  -9.332
  217    H    GLU  30           H        GLU  30  12.455  -3.502 -12.067
  218    HA   GLU  30           HA       GLU  30  12.546  -3.923 -14.953
  219   1HB   GLU  30          2HB       GLU  30  11.829  -6.157 -13.048
  220   2HB   GLU  30          1HB       GLU  30  11.785  -6.235 -14.803
  221   1HG   GLU  30          2HG       GLU  30  14.213  -5.908 -14.866
  222   2HG   GLU  30          1HG       GLU  30  14.240  -5.869 -13.104
  223    H    SER  31           H        SER  31  10.706  -3.843 -11.972
  224    HA   SER  31           HA       SER  31   8.128  -4.231 -12.977
  225   1HB   SER  31          2HB       SER  31   8.829  -2.430 -10.661
  226   2HB   SER  31          1HB       SER  31   7.346  -3.349 -10.904
  227    HG   SER  31           HG       SER  31   9.754  -4.148  -9.878
  228    H    HIS  32           H        HIS  32   6.354  -2.541 -12.930
  229    HA   HIS  32           HA       HIS  32   7.056   0.169 -13.519
  230   1HB   HIS  32          2HB       HIS  32   6.016   0.178 -15.812
  231   2HB   HIS  32          1HB       HIS  32   7.587  -0.598 -15.699
  232    HD1  HIS  32           1HD      HIS  32   7.346  -3.363 -15.382
  233    HD2  HIS  32           2HD      HIS  32   4.210  -1.291 -17.158
  234    HE1  HIS  32           1HE      HIS  32   6.029  -5.093 -16.649
  235    HE2  HIS  32           2HE      HIS  32   4.138  -3.816 -17.719
  236    H    ILE  33           H        ILE  33   5.486   1.472 -12.960
  237    HA   ILE  33           HA       ILE  33   3.159   0.588 -11.697
  238    HB   ILE  33           HB       ILE  33   4.071   3.267 -12.680
  239   1HG1  ILE  33          2HG1      ILE  33   5.183   2.251 -10.732
  240   2HG1  ILE  33          1HG1      ILE  33   4.315   3.720 -10.293
  241   1HG2  ILE  33          1HG2      ILE  33   1.723   3.489 -12.859
  242   2HG2  ILE  33          2HG2      ILE  33   2.171   4.226 -11.321
  243   3HG2  ILE  33          3HG2      ILE  33   1.451   2.617 -11.351
  244   1HD1  ILE  33          1HD1      ILE  33   2.449   1.771  -9.853
  245   2HD1  ILE  33          2HD1      ILE  33   3.485   2.504  -8.628
  246   3HD1  ILE  33          3HD1      ILE  33   3.955   0.983  -9.384
  247    H    LEU  34           H        LEU  34   0.961   0.816 -12.190
  248    HA   LEU  34           HA       LEU  34   0.212   1.368 -14.956
  249   1HB   LEU  34          2HB       LEU  34  -0.471  -1.185 -13.506
  250   2HB   LEU  34          1HB       LEU  34  -1.272  -0.650 -14.969
  251    HG   LEU  34           HG       LEU  34   1.650  -1.367 -14.705
  252   1HD1  LEU  34          1HD1      LEU  34   1.041  -3.222 -16.203
  253   2HD1  LEU  34          2HD1      LEU  34  -0.652  -2.745 -16.078
  254   3HD1  LEU  34          3HD1      LEU  34   0.213  -3.309 -14.649
  255   1HD2  LEU  34          1HD2      LEU  34   1.514   0.349 -16.333
  256   2HD2  LEU  34          2HD2      LEU  34   0.041  -0.327 -17.028
  257   3HD2  LEU  34          3HD2      LEU  34   1.576  -1.173 -17.221
  258    H    THR  35           H        THR  35  -1.445   0.001 -12.083
  259    HA   THR  35           HA       THR  35  -3.471   2.114 -12.378
  260    HB   THR  35           HB       THR  35  -3.962  -0.107 -10.467
  261    HG1  THR  35           1HG      THR  35  -3.012  -1.255 -12.165
  262   1HG2  THR  35          1HG2      THR  35  -5.502   1.534 -12.390
  263   2HG2  THR  35          2HG2      THR  35  -5.883   1.056 -10.734
  264   3HG2  THR  35          3HG2      THR  35  -6.080  -0.098 -12.054
  265    H    VAL  36           H        VAL  36  -3.317   3.801 -11.060
  266    HA   VAL  36           HA       VAL  36  -2.647   3.384  -8.252
  267    HB   VAL  36           HB       VAL  36  -1.131   5.341  -9.989
  268   1HG1  VAL  36          1HG1      VAL  36  -1.464   5.105  -7.051
  269   2HG1  VAL  36          2HG1      VAL  36  -1.230   6.536  -8.053
  270   3HG1  VAL  36          3HG1      VAL  36   0.142   5.498  -7.664
  271   1HG2  VAL  36          1HG2      VAL  36  -0.357   2.784  -8.617
  272   2HG2  VAL  36          2HG2      VAL  36   0.838   4.005  -9.055
  273   3HG2  VAL  36          3HG2      VAL  36  -0.140   3.239 -10.307
  274    H    SER  37           H        SER  37  -4.345   4.240  -7.239
  275    HA   SER  37           HA       SER  37  -4.946   7.000  -7.412
  276   1HB   SER  37          2HB       SER  37  -6.060   6.175  -9.511
  277   2HB   SER  37          1HB       SER  37  -7.091   5.158  -8.503
  278    HG   SER  37           HG       SER  37  -8.107   7.132  -8.994
  279    H    SER  38           H        SER  38  -7.701   6.726  -6.550
  280    HA   SER  38           HA       SER  38  -8.907   6.420  -4.656
  281   1HB   SER  38          2HB       SER  38  -7.174   3.970  -4.240
  282   2HB   SER  38          1HB       SER  38  -8.763   4.266  -3.533
  283    HG   SER  38           HG       SER  38  -8.953   2.933  -5.342
  284    H    PHE  39           H        PHE  39  -7.491   8.397  -4.111
  285    HA   PHE  39           HA       PHE  39  -5.592   7.934  -1.955
  286   1HB   PHE  39          2HB       PHE  39  -6.588  10.519  -3.175
  287   2HB   PHE  39          1HB       PHE  39  -5.333  10.401  -1.950
  288    HD1  PHE  39           1HD      PHE  39  -6.105   8.868  -5.265
  289    HD2  PHE  39           2HD      PHE  39  -3.178  10.606  -2.712
  290    HE1  PHE  39           1HE      PHE  39  -4.415   8.609  -7.033
  291    HE2  PHE  39           2HE      PHE  39  -1.483  10.355  -4.477
  292    HZ   PHE  39           HZ       PHE  39  -2.086   9.401  -6.634
  293    H    TYR  40           H        TYR  40  -6.895   7.057  -0.367
  294    HA   TYR  40           HA       TYR  40  -9.129   8.658   0.633
  295   1HB   TYR  40          2HB       TYR  40  -9.526   6.566   2.039
  296   2HB   TYR  40          1HB       TYR  40  -9.728   6.393   0.293
  297    HD1  TYR  40           1HD      TYR  40  -8.155   5.089  -1.018
  298    HD2  TYR  40           2HD      TYR  40  -7.639   5.596   3.166
  299    HE1  TYR  40           1HE      TYR  40  -6.563   3.213  -0.991
  300    HE2  TYR  40           2HE      TYR  40  -6.048   3.736   3.205
  301    HH   TYR  40           HH       TYR  40  -5.782   1.519   1.446
  302    H    ARG  41           H        ARG  41  -9.448   8.695   2.990
  303    HA   ARG  41           HA       ARG  41  -6.960   9.482   4.327
  304   1HB   ARG  41          2HB       ARG  41  -8.778  11.131   4.286
  305   2HB   ARG  41          1HB       ARG  41  -9.855   9.980   5.063
  306   1HG   ARG  41          2HG       ARG  41  -9.081  11.568   6.686
  307   2HG   ARG  41          1HG       ARG  41  -8.383   9.986   7.044
  308   1HD   ARG  41          2HD       ARG  41  -6.698  11.704   7.294
  309   2HD   ARG  41          1HD       ARG  41  -6.305  10.675   5.918
  310    HE   ARG  41           HE       ARG  41  -6.371  12.545   4.631
  311   1HH1  ARG  41          1HH1      ARG  41  -8.455  13.064   7.380
  312   2HH1  ARG  41          2HH1      ARG  41  -8.883  14.675   6.910
  313   1HH2  ARG  41          1HH2      ARG  41  -6.931  14.664   4.011
  314   2HH2  ARG  41          2HH2      ARG  41  -8.016  15.585   4.998
  315    H    THR  42           H        THR  42  -6.562   8.794   6.533
  316    HA   THR  42           HA       THR  42  -8.104   6.524   7.500
  317    HB   THR  42           HB       THR  42  -5.156   6.326   6.864
  318    HG1  THR  42           1HG      THR  42  -6.287   5.925   5.036
  319   1HG2  THR  42          1HG2      THR  42  -4.977   4.371   7.961
  320   2HG2  THR  42          2HG2      THR  42  -6.667   3.941   7.698
  321   3HG2  THR  42          3HG2      THR  42  -6.237   5.089   8.965
  322    HA   PRO  43           HA       PRO  43  -6.959   8.490  11.326
  323   1HB   PRO  43          2HB       PRO  43  -8.132   6.803  13.031
  324   2HB   PRO  43          1HB       PRO  43  -9.095   7.811  11.945
  325   1HG   PRO  43          2HG       PRO  43  -8.347   4.924  11.682
  326   2HG   PRO  43          1HG       PRO  43  -9.912   5.704  11.383
  327   1HD   PRO  43          2HD       PRO  43  -8.106   5.065   9.411
  328   2HD   PRO  43          1HD       PRO  43  -9.310   6.361   9.273
  329    HA   PRO  44           HA       PRO  44  -3.475   6.127  12.754
  330   1HB   PRO  44          2HB       PRO  44  -2.748   7.665  14.857
  331   2HB   PRO  44          1HB       PRO  44  -2.555   8.181  13.180
  332   1HG   PRO  44          2HG       PRO  44  -4.437   9.131  15.215
  333   2HG   PRO  44          1HG       PRO  44  -3.930   9.903  13.707
  334   1HD   PRO  44          2HD       PRO  44  -6.339   8.415  14.241
  335   2HD   PRO  44          1HD       PRO  44  -5.883   9.275  12.769
  336    H    LEU  45           H        LEU  45  -5.046   7.370  15.703
  337    HA   LEU  45           HA       LEU  45  -5.557   6.398  17.688
  338   1HB   LEU  45          2HB       LEU  45  -6.347   4.233  15.755
  339   2HB   LEU  45          1HB       LEU  45  -6.597   4.069  17.481
  340    HG   LEU  45           HG       LEU  45  -8.645   4.784  16.401
  341   1HD1  LEU  45          1HD1      LEU  45  -8.236   5.590  18.652
  342   2HD1  LEU  45          2HD1      LEU  45  -9.114   6.795  17.711
  343   3HD1  LEU  45          3HD1      LEU  45  -7.388   6.997  18.013
  344   1HD2  LEU  45          1HD2      LEU  45  -7.534   5.906  14.472
  345   2HD2  LEU  45          2HD2      LEU  45  -7.181   7.269  15.535
  346   3HD2  LEU  45          3HD2      LEU  45  -8.855   6.830  15.188
  347    H    GLY  46           H        GLY  46  -3.051   6.479  17.783
  348   1HA   GLY  46          2HA       GLY  46  -2.115   4.434  19.346
  349   2HA   GLY  46          1HA       GLY  46  -1.688   3.953  17.711
  350    HA   PRO  47           HA       PRO  47   1.973   6.383  17.641
  351   1HB   PRO  47          2HB       PRO  47   0.904   7.987  15.375
  352   2HB   PRO  47          1HB       PRO  47   2.410   7.069  15.493
  353   1HG   PRO  47          2HG       PRO  47   0.359   6.154  14.053
  354   2HG   PRO  47          1HG       PRO  47   1.374   5.054  15.004
  355   1HD   PRO  47          2HD       PRO  47  -1.368   6.084  15.582
  356   2HD   PRO  47          1HD       PRO  47  -0.673   4.484  15.905
  357    H    GLN  48           H        GLN  48  -0.992   8.275  17.123
  358    HA   GLN  48           HA       GLN  48  -0.417   9.994  19.314
  359   1HB   GLN  48          2HB       GLN  48  -0.577  12.034  17.563
  360   2HB   GLN  48          1HB       GLN  48   0.938  11.398  18.177
  361   1HG   GLN  48          2HG       GLN  48   1.028  11.730  15.775
  362   2HG   GLN  48          1HG       GLN  48   1.187  10.025  16.186
  363   1HE2  GLN  48          1HE2      GLN  48  -0.089  12.000  13.994
  364   2HE2  GLN  48          2HE2      GLN  48  -1.466  11.085  13.505
  365    H    ASP  49           H        ASP  49  -1.961  11.894  17.069
  366    HA   ASP  49           HA       ASP  49  -4.573  10.720  17.159
  367   1HB   ASP  49          2HB       ASP  49  -4.159  11.750  19.487
  368   2HB   ASP  49          1HB       ASP  49  -4.248  13.310  18.676
  369    H    GLN  50           H        GLN  50  -2.490  11.961  15.396
  370    HA   GLN  50           HA       GLN  50  -4.189  13.981  14.090
  371   1HB   GLN  50          2HB       GLN  50  -1.242  13.788  13.570
  372   2HB   GLN  50          1HB       GLN  50  -2.305  15.179  13.420
  373   1HG   GLN  50          2HG       GLN  50  -1.244  13.967  15.959
  374   2HG   GLN  50          1HG       GLN  50  -0.820  15.527  15.258
  375   1HE2  GLN  50          1HE2      GLN  50  -2.552  14.080  17.604
  376   2HE2  GLN  50          2HE2      GLN  50  -3.763  15.286  17.875
  377    HA   PRO  51           HA       PRO  51  -4.169  10.017  11.609
  378   1HB   PRO  51          2HB       PRO  51  -6.416  11.045  10.223
  379   2HB   PRO  51          1HB       PRO  51  -6.420   9.822  11.493
  380   1HG   PRO  51          2HG       PRO  51  -6.936  12.746  11.677
  381   2HG   PRO  51          1HG       PRO  51  -7.647  11.414  12.608
  382   1HD   PRO  51          2HD       PRO  51  -5.813  13.015  13.697
  383   2HD   PRO  51          1HD       PRO  51  -5.806  11.268  14.033
  384    H    ASP  52           H        ASP  52  -5.763  12.194   9.548
  385    HA   ASP  52           HA       ASP  52  -5.255  13.061   7.510
  386   1HB   ASP  52          2HB       ASP  52  -2.596  13.567   8.856
  387   2HB   ASP  52          1HB       ASP  52  -3.127  14.308   7.348
  388    H    TYR  53           H        TYR  53  -4.320  10.147   8.309
  389    HA   TYR  53           HA       TYR  53  -2.078   9.501   6.777
  390   1HB   TYR  53          2HB       TYR  53  -4.504   7.871   7.512
  391   2HB   TYR  53          1HB       TYR  53  -3.168   7.197   6.589
  392    HD1  TYR  53           1HD      TYR  53  -3.225   9.476   9.543
  393    HD2  TYR  53           2HD      TYR  53  -2.045   5.710   7.964
  394    HE1  TYR  53           1HE      TYR  53  -2.042   8.975  11.640
  395    HE2  TYR  53           2HE      TYR  53  -0.862   5.196  10.055
  396    HH   TYR  53           HH       TYR  53  -0.322   5.898  12.086
  397    H    LEU  54           H        LEU  54  -1.695   9.565   4.687
  398    HA   LEU  54           HA       LEU  54  -3.974   9.585   2.820
  399   1HB   LEU  54          2HB       LEU  54  -2.684  11.643   2.746
  400   2HB   LEU  54          1HB       LEU  54  -1.196  10.741   2.538
  401    HG   LEU  54           HG       LEU  54  -2.040   9.944   0.333
  402   1HD1  LEU  54          1HD1      LEU  54  -4.154  12.050   0.506
  403   2HD1  LEU  54          2HD1      LEU  54  -4.477  10.405   1.052
  404   3HD1  LEU  54          3HD1      LEU  54  -4.008  10.703  -0.622
  405   1HD2  LEU  54          1HD2      LEU  54  -0.543  11.865   0.489
  406   2HD2  LEU  54          2HD2      LEU  54  -1.931  12.937   0.679
  407   3HD2  LEU  54          3HD2      LEU  54  -1.696  12.059  -0.834
  408    H    ASN  55           H        ASN  55  -4.219   7.763   1.657
  409    HA   ASN  55           HA       ASN  55  -1.798   6.279   0.905
  410   1HB   ASN  55          2HB       ASN  55  -4.257   4.855   1.896
  411   2HB   ASN  55          1HB       ASN  55  -2.652   4.191   1.622
  412   1HD2  ASN  55          1HD2      ASN  55  -4.740   5.015   3.946
  413   2HD2  ASN  55          2HD2      ASN  55  -3.647   5.394   5.229
  414    H    ALA  56           H        ALA  56  -2.276   4.582  -0.768
  415    HA   ALA  56           HA       ALA  56  -4.666   4.900  -2.336
  416   1HB   ALA  56          1HB       ALA  56  -2.761   6.754  -2.860
  417   2HB   ALA  56          2HB       ALA  56  -3.944   6.179  -4.033
  418   3HB   ALA  56          3HB       ALA  56  -2.323   5.485  -4.003
  419    H    ALA  57           H        ALA  57  -4.851   3.392  -4.041
  420    HA   ALA  57           HA       ALA  57  -3.402   0.937  -3.575
  421   1HB   ALA  57          1HB       ALA  57  -5.296   0.012  -4.266
  422   2HB   ALA  57          2HB       ALA  57  -5.103   0.759  -5.853
  423   3HB   ALA  57          3HB       ALA  57  -5.953   1.621  -4.570
  424    H    VAL  58           H        VAL  58  -2.142  -0.163  -5.016
  425    HA   VAL  58           HA       VAL  58  -1.397   1.219  -7.477
  426    HB   VAL  58           HB       VAL  58   0.580   0.157  -5.453
  427   1HG1  VAL  58          1HG1      VAL  58   1.754  -0.273  -7.335
  428   2HG1  VAL  58          2HG1      VAL  58   2.075   1.460  -7.269
  429   3HG1  VAL  58          3HG1      VAL  58   0.796   0.838  -8.313
  430   1HG2  VAL  58          1HG2      VAL  58   1.351   2.640  -5.708
  431   2HG2  VAL  58          2HG2      VAL  58   0.020   2.230  -4.626
  432   3HG2  VAL  58          3HG2      VAL  58  -0.316   2.896  -6.224
  433    H    ALA  59           H        ALA  59  -1.022  -0.088  -9.128
  434    HA   ALA  59           HA       ALA  59  -0.764  -2.964  -8.671
  435   1HB   ALA  59          1HB       ALA  59  -2.757  -3.409  -9.560
  436   2HB   ALA  59          2HB       ALA  59  -2.283  -2.582 -11.043
  437   3HB   ALA  59          3HB       ALA  59  -3.066  -1.684  -9.743
  438    H    LEU  60           H        LEU  60   1.382  -2.822  -9.158
  439    HA   LEU  60           HA       LEU  60   2.051  -1.999 -11.899
  440   1HB   LEU  60          2HB       LEU  60   3.391  -0.606 -10.742
  441   2HB   LEU  60          1HB       LEU  60   3.340  -1.588  -9.296
  442    HG   LEU  60           HG       LEU  60   5.041  -2.367 -11.654
  443   1HD1  LEU  60          1HD1      LEU  60   6.570  -0.815 -11.200
  444   2HD1  LEU  60          2HD1      LEU  60   6.459  -1.111  -9.465
  445   3HD1  LEU  60          3HD1      LEU  60   5.334   0.001 -10.244
  446   1HD2  LEU  60          1HD2      LEU  60   4.605  -3.308  -8.911
  447   2HD2  LEU  60          2HD2      LEU  60   6.303  -3.108  -9.346
  448   3HD2  LEU  60          3HD2      LEU  60   5.263  -4.156 -10.310
  449    H    GLU  61           H        GLU  61   3.295  -3.317 -13.181
  450    HA   GLU  61           HA       GLU  61   3.255  -6.122 -12.465
  451   1HB   GLU  61          2HB       GLU  61   4.193  -4.760 -14.996
  452   2HB   GLU  61          1HB       GLU  61   4.024  -6.496 -14.774
  453   1HG   GLU  61          2HG       GLU  61   1.607  -6.116 -14.324
  454   2HG   GLU  61          1HG       GLU  61   1.842  -4.434 -14.781
  455    H    THR  62           H        THR  62   4.816  -6.621 -11.036
  456    HA   THR  62           HA       THR  62   7.502  -5.601 -11.442
  457    HB   THR  62           HB       THR  62   6.764  -5.399  -9.185
  458    HG1  THR  62           1HG      THR  62   8.782  -6.024  -8.962
  459   1HG2  THR  62          1HG2      THR  62   5.422  -7.887  -9.659
  460   2HG2  THR  62          2HG2      THR  62   5.196  -6.715  -8.361
  461   3HG2  THR  62          3HG2      THR  62   6.414  -7.982  -8.205
  462    H    SER  63           H        SER  63   9.249  -7.139 -10.968
  463    HA   SER  63           HA       SER  63   8.751  -9.811 -12.100
  464   1HB   SER  63          2HB       SER  63  11.019  -7.905 -12.721
  465   2HB   SER  63          1HB       SER  63  11.027  -9.610 -13.171
  466    HG   SER  63           HG       SER  63  10.276  -8.351 -14.890
  467    H    LEU  64           H        LEU  64   9.820  -7.782  -9.768
  468    HA   LEU  64           HA       LEU  64  11.471  -9.771  -8.398
  469   1HB   LEU  64          2HB       LEU  64  11.953  -7.592  -6.995
  470   2HB   LEU  64          1HB       LEU  64  12.834  -7.923  -8.475
  471    HG   LEU  64           HG       LEU  64  10.346  -6.234  -8.529
  472   1HD1  LEU  64          1HD1      LEU  64  12.937  -4.845  -8.386
  473   2HD1  LEU  64          2HD1      LEU  64  12.383  -5.567  -6.875
  474   3HD1  LEU  64          3HD1      LEU  64  11.369  -4.396  -7.718
  475   1HD2  LEU  64          1HD2      LEU  64  12.043  -5.195 -10.329
  476   2HD2  LEU  64          2HD2      LEU  64  10.930  -6.511 -10.700
  477   3HD2  LEU  64          3HD2      LEU  64  12.616  -6.862 -10.318
  478    H    ALA  65           H        ALA  65   9.991 -10.932  -7.251
  479    HA   ALA  65           HA       ALA  65   7.556 -10.389  -6.314
  480   1HB   ALA  65          1HB       ALA  65   8.574 -11.625  -4.094
  481   2HB   ALA  65          2HB       ALA  65   9.745 -12.062  -5.339
  482   3HB   ALA  65          3HB       ALA  65   8.037 -12.443  -5.562
  483    HA   PRO  66           HA       PRO  66   7.152  -6.829  -3.735
  484   1HB   PRO  66          2HB       PRO  66   6.200  -8.900  -1.779
  485   2HB   PRO  66          1HB       PRO  66   5.549  -7.285  -2.103
  486   1HG   PRO  66          2HG       PRO  66   4.427  -9.426  -3.196
  487   2HG   PRO  66          1HG       PRO  66   4.603  -7.920  -4.108
  488   1HD   PRO  66          2HD       PRO  66   6.031 -10.487  -4.434
  489   2HD   PRO  66          1HD       PRO  66   5.774  -9.183  -5.610
  490    H    GLU  67           H        GLU  67   8.713  -9.726  -2.506
  491    HA   GLU  67           HA       GLU  67   9.846  -8.742  -0.197
  492   1HB   GLU  67          2HB       GLU  67  11.198 -10.577  -2.187
  493   2HB   GLU  67          1HB       GLU  67  11.547 -10.455  -0.466
  494   1HG   GLU  67          2HG       GLU  67   9.370 -11.338   0.080
  495   2HG   GLU  67          1HG       GLU  67   8.921 -11.366  -1.627
  496    H    GLU  68           H        GLU  68  11.223  -8.799  -3.466
  497    HA   GLU  68           HA       GLU  68  13.421  -7.083  -2.900
  498   1HB   GLU  68          2HB       GLU  68  12.191  -7.567  -5.608
  499   2HB   GLU  68          1HB       GLU  68  13.863  -7.191  -5.241
  500   1HG   GLU  68          2HG       GLU  68  12.410  -9.749  -4.648
  501   2HG   GLU  68          1HG       GLU  68  13.662  -9.498  -5.863
  502    H    LEU  69           H        LEU  69  10.485  -6.619  -4.855
  503    HA   LEU  69           HA       LEU  69  10.732  -3.990  -5.505
  504   1HB   LEU  69          2HB       LEU  69   8.984  -5.066  -6.521
  505   2HB   LEU  69          1HB       LEU  69   8.376  -5.755  -5.041
  506    HG   LEU  69           HG       LEU  69   8.207  -2.790  -5.377
  507   1HD1  LEU  69          1HD1      LEU  69   7.447  -3.614  -7.531
  508   2HD1  LEU  69          2HD1      LEU  69   6.082  -3.022  -6.583
  509   3HD1  LEU  69          3HD1      LEU  69   6.367  -4.757  -6.733
  510   1HD2  LEU  69          1HD2      LEU  69   5.807  -3.838  -4.428
  511   2HD2  LEU  69          2HD2      LEU  69   7.093  -3.108  -3.464
  512   3HD2  LEU  69          3HD2      LEU  69   7.051  -4.855  -3.698
  513    H    LEU  70           H        LEU  70   9.134  -5.176  -2.529
  514    HA   LEU  70           HA       LEU  70   8.441  -2.765  -1.395
  515   1HB   LEU  70          2HB       LEU  70   9.202  -5.418  -0.308
  516   2HB   LEU  70          1HB       LEU  70   9.275  -4.074   0.811
  517    HG   LEU  70           HG       LEU  70   6.889  -3.593   0.351
  518   1HD1  LEU  70          1HD1      LEU  70   5.600  -4.746  -1.108
  519   2HD1  LEU  70          2HD1      LEU  70   6.527  -6.236  -0.920
  520   3HD1  LEU  70          3HD1      LEU  70   7.148  -4.931  -1.932
  521   1HD2  LEU  70          1HD2      LEU  70   6.238  -6.100   1.216
  522   2HD2  LEU  70          2HD2      LEU  70   6.826  -4.790   2.240
  523   3HD2  LEU  70          3HD2      LEU  70   7.950  -5.999   1.623
  524    H    ASN  71           H        ASN  71  11.528  -4.501  -1.120
  525    HA   ASN  71           HA       ASN  71  12.906  -2.783   0.520
  526   1HB   ASN  71          2HB       ASN  71  13.784  -4.569  -1.714
  527   2HB   ASN  71          1HB       ASN  71  14.959  -3.532  -0.909
  528   1HD2  ASN  71          1HD2      ASN  71  13.466  -6.503  -0.856
  529   2HD2  ASN  71          2HD2      ASN  71  13.856  -6.967   0.761
  530    H    HIS  72           H        HIS  72  12.447  -2.421  -3.000
  531    HA   HIS  72           HA       HIS  72  14.176  -0.203  -3.252
  532   1HB   HIS  72          2HB       HIS  72  11.860  -1.121  -4.961
  533   2HB   HIS  72          1HB       HIS  72  12.950   0.190  -5.410
  534    HD1  HIS  72           1HD      HIS  72  15.628  -0.663  -5.314
  535    HD2  HIS  72           2HD      HIS  72  12.659  -3.493  -5.960
  536    HE1  HIS  72           1HE      HIS  72  16.799  -2.645  -6.326
  537    HE2  HIS  72           2HE      HIS  72  14.991  -4.371  -6.647
  538    H    THR  73           H        THR  73  10.603  -0.192  -3.384
  539    HA   THR  73           HA       THR  73  10.239   2.533  -3.267
  540    HB   THR  73           HB       THR  73   8.015   1.986  -2.209
  541    HG1  THR  73           1HG      THR  73   7.619  -0.353  -2.178
  542   1HG2  THR  73          1HG2      THR  73   7.128   0.735  -4.071
  543   2HG2  THR  73          2HG2      THR  73   8.753   0.252  -4.552
  544   3HG2  THR  73          3HG2      THR  73   8.275   1.946  -4.644
  545    H    GLN  74           H        GLN  74  10.560   0.301  -0.536
  546    HA   GLN  74           HA       GLN  74  10.220   2.249   1.471
  547   1HB   GLN  74          2HB       GLN  74  10.854   0.568   3.027
  548   2HB   GLN  74          1HB       GLN  74   9.929  -0.232   1.764
  549   1HG   GLN  74          2HG       GLN  74  11.949  -1.075   0.761
  550   2HG   GLN  74          1HG       GLN  74  12.931  -0.191   1.927
  551   1HE2  GLN  74          1HE2      GLN  74  10.292  -1.191   3.589
  552   2HE2  GLN  74          2HE2      GLN  74  10.887  -2.687   4.213
  553    H    ARG  75           H        ARG  75  12.979   1.237  -0.421
  554    HA   ARG  75           HA       ARG  75  15.012   2.117   1.325
  555   1HB   ARG  75          2HB       ARG  75  16.487   1.826  -0.421
  556   2HB   ARG  75          1HB       ARG  75  15.147   0.857  -1.007
  557   1HG   ARG  75          2HG       ARG  75  14.398   2.837  -2.334
  558   2HG   ARG  75          1HG       ARG  75  15.885   3.649  -1.848
  559   1HD   ARG  75          2HD       ARG  75  15.685   1.063  -3.394
  560   2HD   ARG  75          1HD       ARG  75  16.123   2.639  -4.053
  561    HE   ARG  75           HE       ARG  75  17.866   0.820  -2.808
  562   1HH1  ARG  75          1HH1      ARG  75  17.158   4.236  -2.889
  563   2HH1  ARG  75          2HH1      ARG  75  18.770   4.707  -2.472
  564   1HH2  ARG  75          1HH2      ARG  75  19.990   1.438  -2.263
  565   2HH2  ARG  75          2HH2      ARG  75  20.380   3.120  -2.118
  566    H    ILE  76           H        ILE  76  12.911   3.705  -0.932
  567    HA   ILE  76           HA       ILE  76  14.111   6.244  -0.941
  568    HB   ILE  76           HB       ILE  76  11.200   5.542  -1.299
  569   1HG1  ILE  76          2HG1      ILE  76  12.653   4.379  -2.895
  570   2HG1  ILE  76          1HG1      ILE  76  11.699   5.619  -3.702
  571   1HG2  ILE  76          1HG2      ILE  76  11.899   7.970  -0.777
  572   2HG2  ILE  76          2HG2      ILE  76  10.840   7.669  -2.154
  573   3HG2  ILE  76          3HG2      ILE  76  12.558   7.963  -2.413
  574   1HD1  ILE  76          1HD1      ILE  76  14.621   5.663  -3.035
  575   2HD1  ILE  76          2HD1      ILE  76  13.729   7.116  -3.487
  576   3HD1  ILE  76          3HD1      ILE  76  13.850   5.768  -4.618
  577    H    GLU  77           H        GLU  77  11.259   5.072   0.884
  578    HA   GLU  77           HA       GLU  77  11.038   7.344   2.499
  579   1HB   GLU  77          2HB       GLU  77   9.731   5.917   4.050
  580   2HB   GLU  77          1HB       GLU  77   9.202   5.820   2.382
  581   1HG   GLU  77          2HG       GLU  77   9.112   3.646   3.114
  582   2HG   GLU  77          1HG       GLU  77  10.631   3.713   2.238
  583    H    LEU  78           H        LEU  78  13.310   4.747   2.656
  584    HA   LEU  78           HA       LEU  78  13.980   4.943   5.397
  585   1HB   LEU  78          2HB       LEU  78  15.611   4.088   3.004
  586   2HB   LEU  78          1HB       LEU  78  16.220   4.023   4.647
  587    HG   LEU  78           HG       LEU  78  13.841   2.490   3.593
  588   1HD1  LEU  78          1HD1      LEU  78  15.985   0.893   4.612
  589   2HD1  LEU  78          2HD1      LEU  78  16.591   1.977   3.359
  590   3HD1  LEU  78          3HD1      LEU  78  15.251   0.883   3.009
  591   1HD2  LEU  78          1HD2      LEU  78  15.056   1.744   6.157
  592   2HD2  LEU  78          2HD2      LEU  78  13.359   1.821   5.683
  593   3HD2  LEU  78          3HD2      LEU  78  14.210   3.292   6.161
  594    H    GLN  79           H        GLN  79  14.863   6.728   2.538
  595    HA   GLN  79           HA       GLN  79  16.394   8.609   4.221
  596   1HB   GLN  79          2HB       GLN  79  17.698   9.156   2.179
  597   2HB   GLN  79          1HB       GLN  79  17.897   7.487   2.701
  598   1HG   GLN  79          2HG       GLN  79  16.254   6.791   1.000
  599   2HG   GLN  79          1HG       GLN  79  16.155   8.462   0.448
  600   1HE2  GLN  79          1HE2      GLN  79  19.269   7.957   1.415
  601   2HE2  GLN  79          2HE2      GLN  79  19.969   7.527  -0.102
  602    H    GLN  80           H        GLN  80  13.508   8.286   2.808
  603    HA   GLN  80           HA       GLN  80  13.344  11.138   2.098
  604   1HB   GLN  80          2HB       GLN  80  12.048   8.792   0.716
  605   2HB   GLN  80          1HB       GLN  80  11.511  10.452   0.484
  606   1HG   GLN  80          2HG       GLN  80  14.284   9.428  -0.088
  607   2HG   GLN  80          1HG       GLN  80  13.021   9.686  -1.289
  608   1HE2  GLN  80          1HE2      GLN  80  13.183  11.507  -2.362
  609   2HE2  GLN  80          2HE2      GLN  80  13.891  12.975  -1.788
  610    H    GLY  81           H        GLY  81  11.957   8.460   3.789
  611   1HA   GLY  81          2HA       GLY  81   9.349   9.341   4.205
  612   2HA   GLY  81          1HA       GLY  81  10.255   8.336   5.323
  613    H    ARG  82           H        ARG  82  12.120  10.963   5.088
  614    HA   ARG  82           HA       ARG  82  10.711  12.937   6.543
  615   1HB   ARG  82          2HB       ARG  82  10.814  11.313   8.352
  616   2HB   ARG  82          1HB       ARG  82  12.548  11.134   8.132
  617   1HG   ARG  82          2HG       ARG  82  12.866  13.469   8.801
  618   2HG   ARG  82          1HG       ARG  82  11.125  13.623   9.053
  619   1HD   ARG  82          2HD       ARG  82  12.974  11.728  10.496
  620   2HD   ARG  82          1HD       ARG  82  12.283  13.208  11.159
  621    HE   ARG  82           HE       ARG  82  11.031  10.679  11.031
  622   1HH1  ARG  82          1HH1      ARG  82  10.372  14.088  10.712
  623   2HH1  ARG  82          2HH1      ARG  82   8.689  13.928  11.095
  624   1HH2  ARG  82          1HH2      ARG  82   8.818  10.461  11.525
  625   2HH2  ARG  82          2HH2      ARG  82   7.806  11.866  11.558
  626    H    VAL  83           H        VAL  83  13.981  12.001   7.403
  627    HA   VAL  83           HA       VAL  83  14.970  14.365   5.962
  628    HB   VAL  83           HB       VAL  83  16.241  12.878   8.269
  629   1HG1  VAL  83          1HG1      VAL  83  18.125  13.967   7.828
  630   2HG1  VAL  83          2HG1      VAL  83  17.273  15.512   7.836
  631   3HG1  VAL  83          3HG1      VAL  83  17.395  14.579   6.343
  632   1HG2  VAL  83          1HG2      VAL  83  15.211  14.259   9.695
  633   2HG2  VAL  83          2HG2      VAL  83  14.109  14.606   8.364
  634   3HG2  VAL  83          3HG2      VAL  83  15.484  15.666   8.667
  635    H    ARG  84           H        ARG  84  16.488  11.346   7.089
  636    HA   ARG  84           HA       ARG  84  16.909  10.168   4.607
  637   1HB   ARG  84          2HB       ARG  84  19.244  10.683   4.128
  638   2HB   ARG  84          1HB       ARG  84  18.275  12.150   4.098
  639   1HG   ARG  84          2HG       ARG  84  19.095  12.802   6.258
  640   2HG   ARG  84          1HG       ARG  84  19.948  11.269   6.440
  641   1HD   ARG  84          2HD       ARG  84  21.498  13.021   5.800
  642   2HD   ARG  84          1HD       ARG  84  21.351  11.832   4.507
  643    HE   ARG  84           HE       ARG  84  19.534  13.930   4.050
  644   1HH1  ARG  84          1HH1      ARG  84  22.958  13.274   4.019
  645   2HH1  ARG  84          2HH1      ARG  84  23.309  14.486   2.833
  646   1HH2  ARG  84          1HH2      ARG  84  19.992  15.530   2.486
  647   2HH2  ARG  84          2HH2      ARG  84  21.625  15.768   1.964
  648    H    LYS  85           H        LYS  85  18.894   8.643   4.685
  649    HA   LYS  85           HA       LYS  85  19.970   6.897   5.644
  650   1HB   LYS  85          2HB       LYS  85  21.048   8.635   7.014
  651   2HB   LYS  85          1HB       LYS  85  19.744   8.516   8.185
  652   1HG   LYS  85          2HG       LYS  85  20.364   6.203   8.653
  653   2HG   LYS  85          1HG       LYS  85  21.667   6.314   7.469
  654   1HD   LYS  85          2HD       LYS  85  22.713   8.093   8.784
  655   2HD   LYS  85          1HD       LYS  85  21.405   7.989   9.965
  656   1HE   LYS  85          2HE       LYS  85  23.360   5.796   9.274
  657   2HE   LYS  85          1HE       LYS  85  23.379   6.782  10.736
  658   1HZ   LYS  85          1HZ       LYS  85  22.019   4.403  10.322
  659   2HZ   LYS  85          2HZ       LYS  85  20.833   5.608  10.407
  660   3HZ   LYS  85          3HZ       LYS  85  21.934   5.414  11.676
  661    H    ALA  86           H        ALA  86  18.243   7.616   8.634
  662    HA   ALA  86           HA       ALA  86  16.486   5.314   8.116
  663   1HB   ALA  86          1HB       ALA  86  17.563   4.137   9.656
  664   2HB   ALA  86          2HB       ALA  86  16.982   5.287  10.860
  665   3HB   ALA  86          3HB       ALA  86  18.557   5.525  10.102
  666    H    GLU  87           H        GLU  87  16.161   8.314   8.132
  667    HA   GLU  87           HA       GLU  87  14.867   9.959   9.126
  668   1HB   GLU  87          2HB       GLU  87  12.492   9.422   8.776
  669   2HB   GLU  87          1HB       GLU  87  13.496   8.926   7.420
  670   1HG   GLU  87          2HG       GLU  87  13.397   6.632   8.115
  671   2HG   GLU  87          1HG       GLU  87  12.544   7.075   9.593
  672    H    ARG  88           H        ARG  88  12.235   8.709  10.431
  673    HA   ARG  88           HA       ARG  88  11.417   8.314  12.509
  674   1HB   ARG  88          2HB       ARG  88  14.216   7.349  12.840
  675   2HB   ARG  88          1HB       ARG  88  13.264   7.627  14.291
  676   1HG   ARG  88          2HG       ARG  88  13.140   5.308  13.600
  677   2HG   ARG  88          1HG       ARG  88  11.559   6.081  13.480
  678   1HD   ARG  88          2HD       ARG  88  11.878   6.358  11.072
  679   2HD   ARG  88          1HD       ARG  88  13.464   5.601  11.192
  680    HE   ARG  88           HE       ARG  88  12.402   3.598  11.061
  681   1HH1  ARG  88          1HH1      ARG  88  10.167   5.903  12.426
  682   2HH1  ARG  88          2HH1      ARG  88   8.878   4.757  12.571
  683   1HH2  ARG  88          1HH2      ARG  88  10.707   2.087  11.247
  684   2HH2  ARG  88          2HH2      ARG  88   9.183   2.590  11.903
  685    H    TRP  89           H        TRP  89  10.670  10.005  13.535
  686    HA   TRP  89           HA       TRP  89  12.093  11.482  15.424
  687   1HB   TRP  89          2HB       TRP  89  13.219  12.442  13.425
  688   2HB   TRP  89          1HB       TRP  89  11.656  13.009  12.849
  689    HD1  TRP  89           HD       TRP  89  11.355  15.498  13.300
  690    HE1  TRP  89           1HE      TRP  89  12.073  17.152  15.137
  691    HE3  TRP  89           3HE      TRP  89  13.918  12.280  16.337
  692    HZ2  TRP  89           2HZ      TRP  89  13.535  17.100  17.549
  693    HZ3  TRP  89           3HZ      TRP  89  14.950  13.164  18.389
  694    HH2  TRP  89           HH       TRP  89  14.761  15.525  18.980
  695    H    GLY  90           H        GLY  90   9.365  11.003  13.372
  696   1HA   GLY  90          2HA       GLY  90   7.560  11.835  15.428
  697   2HA   GLY  90          1HA       GLY  90   7.610  12.995  14.111
  698    HA   PRO  91           HA       PRO  91   4.434   9.945  12.840
  699   1HB   PRO  91          2HB       PRO  91   2.593  11.683  12.001
  700   2HB   PRO  91          1HB       PRO  91   2.855  11.389  13.724
  701   1HG   PRO  91          2HG       PRO  91   3.809  13.658  12.025
  702   2HG   PRO  91          1HG       PRO  91   3.147  13.693  13.669
  703   1HD   PRO  91          2HD       PRO  91   5.838  13.771  13.064
  704   2HD   PRO  91          1HD       PRO  91   5.170  13.222  14.614
  705    H    ARG  92           H        ARG  92   6.103   9.438  11.163
  706    HA   ARG  92           HA       ARG  92   5.117  10.247   8.548
  707   1HB   ARG  92          2HB       ARG  92   8.005  10.572   9.380
  708   2HB   ARG  92          1HB       ARG  92   7.449  10.633   7.712
  709   1HG   ARG  92          2HG       ARG  92   5.986  12.540   8.330
  710   2HG   ARG  92          1HG       ARG  92   6.712  12.518   9.938
  711   1HD   ARG  92          2HD       ARG  92   8.907  12.934   8.961
  712   2HD   ARG  92          1HD       ARG  92   8.200  12.919   7.347
  713    HE   ARG  92           HE       ARG  92   6.864  14.840   8.882
  714   1HH1  ARG  92          1HH1      ARG  92  10.007  14.267   7.490
  715   2HH1  ARG  92          2HH1      ARG  92  10.377  15.949   7.310
  716   1HH2  ARG  92          1HH2      ARG  92   7.339  17.056   8.645
  717   2HH2  ARG  92          2HH2      ARG  92   8.858  17.536   7.966
  718    H    THR  93           H        THR  93   7.690   9.034   7.417
  719    HA   THR  93           HA       THR  93   8.571   7.018   6.873
  720    HB   THR  93           HB       THR  93   6.796   5.867   9.036
  721    HG1  THR  93           1HG      THR  93   8.679   7.398   9.489
  722   1HG2  THR  93          1HG2      THR  93   7.322   3.955   7.940
  723   2HG2  THR  93          2HG2      THR  93   8.777   4.124   8.923
  724   3HG2  THR  93          3HG2      THR  93   8.789   4.630   7.232
  725    H    LEU  94           H        LEU  94   8.025   5.230   5.563
  726    HA   LEU  94           HA       LEU  94   5.271   5.347   4.525
  727   1HB   LEU  94          2HB       LEU  94   7.458   6.172   3.229
  728   2HB   LEU  94          1HB       LEU  94   7.530   4.478   2.804
  729    HG   LEU  94           HG       LEU  94   5.201   6.312   2.252
  730   1HD1  LEU  94          1HD1      LEU  94   7.565   5.437   0.640
  731   2HD1  LEU  94          2HD1      LEU  94   6.871   7.048   0.827
  732   3HD1  LEU  94          3HD1      LEU  94   6.037   5.837  -0.147
  733   1HD2  LEU  94          1HD2      LEU  94   4.031   4.471   1.849
  734   2HD2  LEU  94          2HD2      LEU  94   5.418   3.464   2.264
  735   3HD2  LEU  94          3HD2      LEU  94   5.199   4.023   0.605
  736    H    ASP  95           H        ASP  95   4.325   3.390   3.849
  737    HA   ASP  95           HA       ASP  95   5.757   0.944   4.644
  738   1HB   ASP  95          2HB       ASP  95   2.854   1.609   5.168
  739   2HB   ASP  95          1HB       ASP  95   3.604   0.047   5.488
  740    H    LEU  96           H        LEU  96   6.087  -0.237   2.890
  741    HA   LEU  96           HA       LEU  96   4.027  -0.255   0.782
  742   1HB   LEU  96          2HB       LEU  96   6.959  -0.940   0.578
  743   2HB   LEU  96          1HB       LEU  96   5.811  -0.965  -0.744
  744    HG   LEU  96           HG       LEU  96   7.099   1.007  -0.957
  745   1HD1  LEU  96          1HD1      LEU  96   4.877   1.432  -1.567
  746   2HD1  LEU  96          2HD1      LEU  96   5.360   2.804  -0.570
  747   3HD1  LEU  96          3HD1      LEU  96   4.348   1.531   0.112
  748   1HD2  LEU  96          1HD2      LEU  96   6.448   1.542   1.930
  749   2HD2  LEU  96          2HD2      LEU  96   7.185   2.720   0.845
  750   3HD2  LEU  96          3HD2      LEU  96   8.035   1.221   1.228
  751    H    ASP  97           H        ASP  97   2.896  -2.066   0.527
  752    HA   ASP  97           HA       ASP  97   4.150  -4.652   0.992
  753   1HB   ASP  97          2HB       ASP  97   1.625  -3.812   2.437
  754   2HB   ASP  97          1HB       ASP  97   2.286  -5.442   2.419
  755    H    ILE  98           H        ILE  98   3.804  -5.634  -0.906
  756    HA   ILE  98           HA       ILE  98   1.455  -5.063  -2.477
  757    HB   ILE  98           HB       ILE  98   3.743  -6.957  -2.898
  758   1HG1  ILE  98          2HG1      ILE  98   2.836  -4.463  -4.319
  759   2HG1  ILE  98          1HG1      ILE  98   4.297  -4.663  -3.357
  760   1HG2  ILE  98          1HG2      ILE  98   2.154  -8.207  -3.933
  761   2HG2  ILE  98          2HG2      ILE  98   2.594  -7.120  -5.250
  762   3HG2  ILE  98          3HG2      ILE  98   1.141  -6.811  -4.300
  763   1HD1  ILE  98          1HD1      ILE  98   5.089  -6.330  -5.015
  764   2HD1  ILE  98          2HD1      ILE  98   4.881  -4.708  -5.673
  765   3HD1  ILE  98          3HD1      ILE  98   3.677  -5.953  -6.002
  766    H    MET  99           H        MET  99  -0.425  -5.980  -2.127
  767    HA   MET  99           HA       MET  99  -0.687  -8.301  -0.472
  768   1HB   MET  99          2HB       MET  99  -2.734  -6.723  -2.014
  769   2HB   MET  99          1HB       MET  99  -3.113  -8.022  -0.899
  770   1HG   MET  99          2HG       MET  99  -1.630  -5.527  -0.117
  771   2HG   MET  99          1HG       MET  99  -3.374  -5.722   0.025
  772   1HE   MET  99          1HE       MET  99   0.075  -6.320   1.685
  773   2HE   MET  99          2HE       MET  99  -0.130  -7.846   0.826
  774   3HE   MET  99          3HE       MET  99  -0.166  -7.816   2.588
  775    H    LEU 100           H        LEU 100  -0.726  -7.744  -3.961
  776    HA   LEU 100           HA       LEU 100  -1.157 -10.651  -4.256
  777   1HB   LEU 100          2HB       LEU 100  -2.415  -8.466  -5.889
  778   2HB   LEU 100          1HB       LEU 100  -2.311 -10.122  -6.455
  779    HG   LEU 100           HG       LEU 100  -3.507 -10.686  -4.206
  780   1HD1  LEU 100          1HD1      LEU 100  -3.863  -7.738  -4.443
  781   2HD1  LEU 100          2HD1      LEU 100  -3.606  -8.732  -3.010
  782   3HD1  LEU 100          3HD1      LEU 100  -5.181  -8.723  -3.806
  783   1HD2  LEU 100          1HD2      LEU 100  -4.479 -11.093  -6.368
  784   2HD2  LEU 100          2HD2      LEU 100  -4.885  -9.387  -6.548
  785   3HD2  LEU 100          3HD2      LEU 100  -5.690 -10.360  -5.317
  786    H    PHE 101           H        PHE 101  -0.119 -11.710  -5.930
  787    HA   PHE 101           HA       PHE 101   1.960 -10.160  -7.333
  788   1HB   PHE 101          2HB       PHE 101   2.909 -11.563  -5.528
  789   2HB   PHE 101          1HB       PHE 101   2.190 -12.987  -6.272
  790    HD1  PHE 101           1HD      PHE 101   3.731 -14.323  -7.308
  791    HD2  PHE 101           2HD      PHE 101   4.225 -10.100  -7.484
  792    HE1  PHE 101           1HE      PHE 101   5.750 -14.620  -8.684
  793    HE2  PHE 101           2HE      PHE 101   6.245 -10.389  -8.858
  794    HZ   PHE 101           HZ       PHE 101   7.014 -12.661  -9.452
  795    H    GLY 102           H        GLY 102   0.423  -9.996  -9.079
  796   1HA   GLY 102          2HA       GLY 102   0.045 -10.645 -11.295
  797   2HA   GLY 102          1HA       GLY 102   0.576 -12.271 -10.884
  798    H    ASN 103           H        ASN 103  -1.057 -12.521  -8.592
  799    HA   ASN 103           HA       ASN 103  -3.365 -12.528  -7.939
  800   1HB   ASN 103          2HB       ASN 103  -4.112 -11.552 -10.180
  801   2HB   ASN 103          1HB       ASN 103  -4.046 -13.196 -10.812
  802   1HD2  ASN 103          1HD2      ASN 103  -4.872 -13.177  -7.564
  803   2HD2  ASN 103          2HD2      ASN 103  -6.582 -13.305  -7.734
  804    H    GLU 104           H        GLU 104  -1.004 -14.228  -8.631
  805    HA   GLU 104           HA       GLU 104  -2.070 -16.881  -9.044
  806   1HB   GLU 104          2HB       GLU 104   0.139 -16.033  -9.915
  807   2HB   GLU 104          1HB       GLU 104   0.703 -15.961  -8.255
  808   1HG   GLU 104          2HG       GLU 104   1.524 -17.944  -9.284
  809   2HG   GLU 104          1HG       GLU 104   0.349 -18.372  -8.045
  810    H    VAL 105           H        VAL 105  -0.950 -18.548  -7.284
  811    HA   VAL 105           HA       VAL 105  -1.747 -17.429  -4.684
  812    HB   VAL 105           HB       VAL 105  -2.349 -19.625  -3.908
  813   1HG1  VAL 105          1HG1      VAL 105  -3.794 -19.987  -6.352
  814   2HG1  VAL 105          2HG1      VAL 105  -3.657 -18.267  -5.987
  815   3HG1  VAL 105          3HG1      VAL 105  -4.358 -19.368  -4.801
  816   1HG2  VAL 105          1HG2      VAL 105  -1.081 -20.548  -6.440
  817   2HG2  VAL 105          2HG2      VAL 105  -2.395 -21.491  -5.735
  818   3HG2  VAL 105          3HG2      VAL 105  -0.930 -21.183  -4.800
  819    H    ILE 106           H        ILE 106   0.259 -16.565  -4.317
  820    HA   ILE 106           HA       ILE 106   2.387 -18.517  -3.755
  821    HB   ILE 106           HB       ILE 106   2.954 -17.033  -5.601
  822   1HG1  ILE 106          2HG1      ILE 106   4.516 -16.259  -3.135
  823   2HG1  ILE 106          1HG1      ILE 106   4.737 -17.759  -4.040
  824   1HG2  ILE 106          1HG2      ILE 106   1.608 -15.130  -5.187
  825   2HG2  ILE 106          2HG2      ILE 106   3.288 -14.596  -5.150
  826   3HG2  ILE 106          3HG2      ILE 106   2.401 -14.821  -3.643
  827   1HD1  ILE 106          1HD1      ILE 106   5.984 -15.312  -4.486
  828   2HD1  ILE 106          2HD1      ILE 106   4.817 -15.497  -5.799
  829   3HD1  ILE 106          3HD1      ILE 106   6.035 -16.745  -5.513
  830    H    ASN 107           H        ASN 107   2.194 -18.909  -1.641
  831    HA   ASN 107           HA       ASN 107   1.844 -16.622   0.170
  832   1HB   ASN 107          2HB       ASN 107   1.494 -19.465   1.037
  833   2HB   ASN 107          1HB       ASN 107   0.703 -18.004   1.633
  834   1HD2  ASN 107          1HD2      ASN 107  -1.244 -17.546   0.897
  835   2HD2  ASN 107          2HD2      ASN 107  -2.015 -18.297  -0.441
  836    H    THR 108           H        THR 108   3.319 -16.113   1.623
  837    HA   THR 108           HA       THR 108   5.350 -17.987   2.484
  838    HB   THR 108           HB       THR 108   7.209 -16.372   1.891
  839    HG1  THR 108           1HG      THR 108   6.822 -14.743   0.563
  840   1HG2  THR 108          1HG2      THR 108   5.716 -17.729  -0.331
  841   2HG2  THR 108          2HG2      THR 108   7.109 -18.328   0.570
  842   3HG2  THR 108          3HG2      THR 108   7.292 -16.967  -0.537
  843    H    GLU 109           H        GLU 109   5.734 -14.495   2.461
  844    HA   GLU 109           HA       GLU 109   4.561 -14.039   5.015
  845   1HB   GLU 109          2HB       GLU 109   6.672 -13.482   6.208
  846   2HB   GLU 109          1HB       GLU 109   6.513 -15.195   5.842
  847   1HG   GLU 109          2HG       GLU 109   8.011 -14.916   3.925
  848   2HG   GLU 109          1HG       GLU 109   8.182 -13.205   4.317
  849    H    ARG 110           H        ARG 110   7.059 -12.934   2.747
  850    HA   ARG 110           HA       ARG 110   6.192 -10.159   3.157
  851   1HB   ARG 110          2HB       ARG 110   8.663 -10.855   3.209
  852   2HB   ARG 110          1HB       ARG 110   8.521 -11.095   1.476
  853   1HG   ARG 110          2HG       ARG 110   8.177  -8.808   1.075
  854   2HG   ARG 110          1HG       ARG 110   7.848  -8.477   2.780
  855   1HD   ARG 110          2HD       ARG 110  10.191  -9.105   3.297
  856   2HD   ARG 110          1HD       ARG 110  10.486  -9.301   1.571
  857    HE   ARG 110           HE       ARG 110   9.460  -6.738   1.991
  858   1HH1  ARG 110          1HH1      ARG 110  12.311  -8.598   2.745
  859   2HH1  ARG 110          2HH1      ARG 110  13.355  -7.217   2.792
  860   1HH2  ARG 110          1HH2      ARG 110  10.828  -4.915   2.057
  861   2HH2  ARG 110          2HH2      ARG 110  12.512  -5.124   2.402
  862    H    LEU 111           H        LEU 111   5.093 -12.602   1.523
  863    HA   LEU 111           HA       LEU 111   3.969 -11.022  -0.578
  864   1HB   LEU 111          2HB       LEU 111   6.019 -11.464  -1.700
  865   2HB   LEU 111          1HB       LEU 111   5.987 -13.154  -1.232
  866    HG   LEU 111           HG       LEU 111   4.118 -13.579  -2.729
  867   1HD1  LEU 111          1HD1      LEU 111   3.443 -11.008  -2.399
  868   2HD1  LEU 111          2HD1      LEU 111   2.872 -11.999  -3.741
  869   3HD1  LEU 111          3HD1      LEU 111   4.242 -10.911  -3.965
  870   1HD2  LEU 111          1HD2      LEU 111   5.238 -13.239  -4.843
  871   2HD2  LEU 111          2HD2      LEU 111   6.422 -13.678  -3.612
  872   3HD2  LEU 111          3HD2      LEU 111   6.271 -12.000  -4.132
  873    H    THR 112           H        THR 112   1.958 -11.650   0.150
  874    HA   THR 112           HA       THR 112   1.271 -14.455  -0.373
  875    HB   THR 112           HB       THR 112   1.315 -14.260   2.020
  876    HG1  THR 112           1HG      THR 112  -1.007 -14.455   2.459
  877   1HG2  THR 112          1HG2      THR 112   0.906 -12.411   3.145
  878   2HG2  THR 112          2HG2      THR 112  -0.747 -12.363   2.535
  879   3HG2  THR 112          3HG2      THR 112   0.550 -11.588   1.626
  880    H    VAL 113           H        VAL 113   0.066 -14.345  -2.197
  881    HA   VAL 113           HA       VAL 113  -1.376 -12.052  -2.984
  882    HB   VAL 113           HB       VAL 113  -1.647 -14.906  -3.939
  883   1HG1  VAL 113          1HG1      VAL 113  -3.324 -12.661  -4.422
  884   2HG1  VAL 113          2HG1      VAL 113  -3.398 -14.260  -5.161
  885   3HG1  VAL 113          3HG1      VAL 113  -2.418 -12.994  -5.900
  886   1HG2  VAL 113          1HG2      VAL 113  -0.501 -13.201  -5.864
  887   2HG2  VAL 113          2HG2      VAL 113   0.249 -14.545  -5.006
  888   3HG2  VAL 113          3HG2      VAL 113   0.340 -12.915  -4.340
  889    HA   PRO 114           HA       PRO 114  -5.363 -14.558  -1.461
  890   1HB   PRO 114          2HB       PRO 114  -3.901 -16.275   0.497
  891   2HB   PRO 114          1HB       PRO 114  -5.344 -16.635  -0.452
  892   1HG   PRO 114          2HG       PRO 114  -3.041 -17.685  -1.168
  893   2HG   PRO 114          1HG       PRO 114  -4.129 -17.014  -2.405
  894   1HD   PRO 114          2HD       PRO 114  -1.650 -15.818  -1.220
  895   2HD   PRO 114          1HD       PRO 114  -2.221 -15.825  -2.902
  896    H    HIS 115           H        HIS 115  -2.656 -13.254  -0.068
  897    HA   HIS 115           HA       HIS 115  -2.163 -12.370   2.025
  898   1HB   HIS 115          2HB       HIS 115  -3.161 -10.083   1.993
  899   2HB   HIS 115          1HB       HIS 115  -2.364 -10.577   0.518
  900    HD1  HIS 115           1HD      HIS 115  -4.029  -8.337  -0.000
  901    HD2  HIS 115           2HD      HIS 115  -5.750 -12.102   0.222
  902    HE1  HIS 115           1HE      HIS 115  -6.203  -8.154  -1.241
  903    HE2  HIS 115           2HE      HIS 115  -7.191 -10.466  -1.157
  904    H    TYR 116           H        TYR 116  -2.564 -12.973   3.974
  905    HA   TYR 116           HA       TYR 116  -5.337 -12.768   4.971
  906   1HB   TYR 116          2HB       TYR 116  -3.075 -14.563   5.875
  907   2HB   TYR 116          1HB       TYR 116  -4.578 -14.369   6.769
  908    HD1  TYR 116           1HD      TYR 116  -3.659 -14.994   3.184
  909    HD2  TYR 116           2HD      TYR 116  -6.006 -16.143   6.540
  910    HE1  TYR 116           1HE      TYR 116  -4.688 -16.781   1.845
  911    HE2  TYR 116           2HE      TYR 116  -7.041 -17.933   5.212
  912    HH   TYR 116           HH       TYR 116  -6.758 -18.120   1.842
  913    H    ASP 117           H        ASP 117  -5.390 -10.740   5.724
  914    HA   ASP 117           HA       ASP 117  -4.766  -9.926   8.180
  915   1HB   ASP 117          2HB       ASP 117  -2.665  -8.680   8.132
  916   2HB   ASP 117          1HB       ASP 117  -2.359 -10.369   7.746
  917    H    MET 118           H        MET 118  -4.686  -9.064   4.820
  918    HA   MET 118           HA       MET 118  -5.046  -6.297   4.980
  919   1HB   MET 118          2HB       MET 118  -6.044  -6.574   2.672
  920   2HB   MET 118          1HB       MET 118  -4.447  -7.269   2.881
  921   1HG   MET 118          2HG       MET 118  -5.686  -8.839   1.669
  922   2HG   MET 118          1HG       MET 118  -5.583  -9.474   3.301
  923   1HE   MET 118          1HE       MET 118  -7.247 -11.153   2.689
  924   2HE   MET 118          2HE       MET 118  -7.986 -10.631   1.174
  925   3HE   MET 118          3HE       MET 118  -8.989 -10.901   2.601
  926    H    LYS 119           H        LYS 119  -7.297  -8.930   5.377
  927    HA   LYS 119           HA       LYS 119  -9.707  -7.494   5.029
  928   1HB   LYS 119          2HB       LYS 119 -10.680  -9.370   6.441
  929   2HB   LYS 119          1HB       LYS 119  -9.839  -9.860   4.980
  930   1HG   LYS 119          2HG       LYS 119  -9.178 -11.377   6.643
  931   2HG   LYS 119          1HG       LYS 119  -7.814 -10.279   6.432
  932   1HD   LYS 119          2HD       LYS 119  -8.169 -10.673   8.785
  933   2HD   LYS 119          1HD       LYS 119  -8.589  -9.001   8.405
  934   1HE   LYS 119          2HE       LYS 119 -10.232  -9.997   9.905
  935   2HE   LYS 119          1HE       LYS 119 -10.956  -9.607   8.344
  936   1HZ   LYS 119          1HZ       LYS 119 -11.424 -11.887   9.430
  937   2HZ   LYS 119          2HZ       LYS 119  -9.898 -12.310   8.835
  938   3HZ   LYS 119          3HZ       LYS 119 -11.113 -11.816   7.768
  939    H    ASN 120           H        ASN 120  -7.329  -7.012   7.200
  940    HA   ASN 120           HA       ASN 120  -9.122  -6.155   9.361
  941   1HB   ASN 120          2HB       ASN 120  -6.114  -6.489   9.288
  942   2HB   ASN 120          1HB       ASN 120  -7.021  -5.912  10.681
  943   1HD2  ASN 120          1HD2      ASN 120  -5.567  -8.523   9.415
  944   2HD2  ASN 120          2HD2      ASN 120  -6.462  -9.781  10.190
  945    H    ARG 121           H        ARG 121  -8.483  -4.814   6.657
  946    HA   ARG 121           HA       ARG 121  -8.439  -2.151   7.693
  947   1HB   ARG 121          2HB       ARG 121  -6.357  -1.464   6.487
  948   2HB   ARG 121          1HB       ARG 121  -6.092  -2.500   7.882
  949   1HG   ARG 121          2HG       ARG 121  -5.837  -4.429   6.386
  950   2HG   ARG 121          1HG       ARG 121  -6.062  -3.363   4.997
  951   1HD   ARG 121          2HD       ARG 121  -3.695  -3.806   5.399
  952   2HD   ARG 121          1HD       ARG 121  -4.077  -2.100   5.632
  953    HE   ARG 121           HE       ARG 121  -4.264  -3.370   8.110
  954   1HH1  ARG 121          1HH1      ARG 121  -1.838  -2.597   5.730
  955   2HH1  ARG 121          2HH1      ARG 121  -0.556  -2.479   6.887
  956   1HH2  ARG 121          1HH2      ARG 121  -2.580  -3.215   9.640
  957   2HH2  ARG 121          2HH2      ARG 121  -0.978  -2.832   9.109
  958    H    GLY 122           H        GLY 122 -10.022  -1.326   6.508
  959   1HA   GLY 122          2HA       GLY 122 -10.527  -2.073   3.756
  960   2HA   GLY 122          1HA       GLY 122 -11.339  -0.803   4.681
  961    H    PHE 123           H        PHE 123  -8.381   0.049   5.306
  962    HA   PHE 123           HA       PHE 123  -8.290   1.978   3.162
  963   1HB   PHE 123          2HB       PHE 123  -6.370   2.943   4.424
  964   2HB   PHE 123          1HB       PHE 123  -7.845   2.819   5.367
  965    HD1  PHE 123           1HD      PHE 123  -4.647   1.013   4.719
  966    HD2  PHE 123           2HD      PHE 123  -7.781   1.878   7.466
  967    HE1  PHE 123           1HE      PHE 123  -3.402  -0.144   6.496
  968    HE2  PHE 123           2HE      PHE 123  -6.542   0.721   9.247
  969    HZ   PHE 123           HZ       PHE 123  -4.348  -0.291   8.765
  970    H    MET 124           H        MET 124  -7.923  -0.716   2.448
  971    HA   MET 124           HA       MET 124  -5.543  -0.504   0.850
  972   1HB   MET 124          2HB       MET 124  -5.815  -2.724   2.897
  973   2HB   MET 124          1HB       MET 124  -4.674  -2.748   1.562
  974   1HG   MET 124          2HG       MET 124  -4.721  -0.728   3.791
  975   2HG   MET 124          1HG       MET 124  -3.626  -2.103   3.669
  976   1HE   MET 124          1HE       MET 124  -2.414   1.264   3.742
  977   2HE   MET 124          2HE       MET 124  -1.011   0.442   3.060
  978   3HE   MET 124          3HE       MET 124  -2.001  -0.367   4.275
  979    H    LEU 125           H        LEU 125  -8.244  -2.372   2.034
  980    HA   LEU 125           HA       LEU 125  -8.472  -4.045  -0.282
  981   1HB   LEU 125          2HB       LEU 125 -10.427  -3.593   1.955
  982   2HB   LEU 125          1HB       LEU 125 -10.429  -4.928   0.826
  983    HG   LEU 125           HG       LEU 125  -8.493  -4.389   3.059
  984   1HD1  LEU 125          1HD1      LEU 125  -9.168  -6.661   3.732
  985   2HD1  LEU 125          2HD1      LEU 125 -10.314  -6.693   2.393
  986   3HD1  LEU 125          3HD1      LEU 125 -10.518  -5.528   3.700
  987   1HD2  LEU 125          1HD2      LEU 125  -8.008  -6.824   1.579
  988   2HD2  LEU 125          2HD2      LEU 125  -6.880  -5.570   2.092
  989   3HD2  LEU 125          3HD2      LEU 125  -7.770  -5.392   0.580
  990    H    TRP 126           H        TRP 126  -9.972  -1.120   0.870
  991    HA   TRP 126           HA       TRP 126 -12.066  -1.087  -1.060
  992   1HB   TRP 126          2HB       TRP 126 -12.628   0.174   0.772
  993   2HB   TRP 126          1HB       TRP 126 -10.993   0.777   0.995
  994    HD1  TRP 126           HD       TRP 126 -11.170   3.261   0.940
  995    HE1  TRP 126           1HE      TRP 126 -12.216   5.035  -0.618
  996    HE3  TRP 126           3HE      TRP 126 -13.630   0.153  -2.280
  997    HZ2  TRP 126           2HZ      TRP 126 -13.874   5.093  -2.905
  998    HZ3  TRP 126           3HZ      TRP 126 -14.928   1.143  -4.120
  999    HH2  TRP 126           HH       TRP 126 -15.047   3.561  -4.425
 1000    HA   PRO 127           HA       PRO 127  -8.955   2.177  -3.173
 1001   1HB   PRO 127          2HB       PRO 127  -6.402   1.043  -2.906
 1002   2HB   PRO 127          1HB       PRO 127  -6.969   2.524  -2.132
 1003   1HG   PRO 127          2HG       PRO 127  -6.797  -0.245  -1.048
 1004   2HG   PRO 127          1HG       PRO 127  -6.523   1.304  -0.229
 1005   1HD   PRO 127          2HD       PRO 127  -8.770  -0.070   0.178
 1006   2HD   PRO 127          1HD       PRO 127  -8.804   1.702   0.038
 1007    H    LEU 128           H        LEU 128  -7.836  -1.203  -2.787
 1008    HA   LEU 128           HA       LEU 128  -7.257  -1.644  -5.512
 1009   1HB   LEU 128          2HB       LEU 128  -6.480  -3.139  -3.714
 1010   2HB   LEU 128          1HB       LEU 128  -8.131  -3.628  -3.403
 1011    HG   LEU 128           HG       LEU 128  -7.083  -4.045  -6.160
 1012   1HD1  LEU 128          1HD1      LEU 128  -5.392  -5.326  -5.515
 1013   2HD1  LEU 128          2HD1      LEU 128  -6.581  -6.429  -4.823
 1014   3HD1  LEU 128          3HD1      LEU 128  -5.849  -5.179  -3.817
 1015   1HD2  LEU 128          1HD2      LEU 128  -9.175  -5.148  -4.387
 1016   2HD2  LEU 128          2HD2      LEU 128  -8.429  -6.252  -5.542
 1017   3HD2  LEU 128          3HD2      LEU 128  -9.221  -4.782  -6.112
 1018    H    PHE 129           H        PHE 129 -10.218  -1.698  -3.693
 1019    HA   PHE 129           HA       PHE 129 -11.750  -3.198  -5.542
 1020   1HB   PHE 129          2HB       PHE 129 -12.382  -2.783  -3.157
 1021   2HB   PHE 129          1HB       PHE 129 -12.749  -1.124  -3.587
 1022    HD1  PHE 129           1HD      PHE 129 -14.558  -0.734  -5.358
 1023    HD2  PHE 129           2HD      PHE 129 -13.976  -4.461  -3.367
 1024    HE1  PHE 129           1HE      PHE 129 -16.839  -1.417  -5.980
 1025    HE2  PHE 129           2HE      PHE 129 -16.253  -5.149  -4.006
 1026    HZ   PHE 129           HZ       PHE 129 -17.686  -3.630  -5.309
 1027    H    GLU 130           H        GLU 130 -10.658   0.071  -5.430
 1028    HA   GLU 130           HA       GLU 130 -12.558   1.031  -7.392
 1029   1HB   GLU 130          2HB       GLU 130 -11.577   2.481  -5.584
 1030   2HB   GLU 130          1HB       GLU 130 -10.028   2.364  -6.406
 1031   1HG   GLU 130          2HG       GLU 130 -12.528   3.502  -7.636
 1032   2HG   GLU 130          1HG       GLU 130 -11.268   4.458  -6.862
 1033    H    ILE 131           H        ILE 131  -9.039   0.461  -7.278
 1034    HA   ILE 131           HA       ILE 131  -8.534   0.933  -9.996
 1035    HB   ILE 131           HB       ILE 131  -6.435  -0.256  -9.676
 1036   1HG1  ILE 131          2HG1      ILE 131  -7.507  -1.034  -6.952
 1037   2HG1  ILE 131          1HG1      ILE 131  -7.353  -2.135  -8.320
 1038   1HG2  ILE 131          1HG2      ILE 131  -5.494   1.299  -8.287
 1039   2HG2  ILE 131          2HG2      ILE 131  -6.790   1.181  -7.096
 1040   3HG2  ILE 131          3HG2      ILE 131  -7.054   2.062  -8.600
 1041   1HD1  ILE 131          1HD1      ILE 131  -4.971  -1.935  -8.287
 1042   2HD1  ILE 131          2HD1      ILE 131  -5.528  -2.314  -6.658
 1043   3HD1  ILE 131          3HD1      ILE 131  -5.048  -0.667  -7.064
 1044    H    ALA 132           H        ALA 132  -9.698  -1.899  -8.298
 1045    HA   ALA 132           HA       ALA 132 -10.502  -3.136 -10.756
 1046   1HB   ALA 132          1HB       ALA 132  -9.108  -4.972 -10.846
 1047   2HB   ALA 132          2HB       ALA 132  -8.614  -4.814  -9.161
 1048   3HB   ALA 132          3HB       ALA 132  -7.995  -3.690 -10.371
 1049    HA   PRO 133           HA       PRO 133 -13.130  -4.470  -7.246
 1050   1HB   PRO 133          2HB       PRO 133 -15.484  -3.748  -8.303
 1051   2HB   PRO 133          1HB       PRO 133 -14.406  -2.564  -7.559
 1052   1HG   PRO 133          2HG       PRO 133 -14.974  -3.068 -10.428
 1053   2HG   PRO 133          1HG       PRO 133 -14.540  -1.557  -9.613
 1054   1HD   PRO 133          2HD       PRO 133 -12.816  -3.250 -11.078
 1055   2HD   PRO 133          1HD       PRO 133 -12.347  -1.873 -10.067
 1056    H    GLU 134           H        GLU 134 -12.067  -6.111  -9.475
 1057    HA   GLU 134           HA       GLU 134 -14.315  -7.986  -9.679
 1058   1HB   GLU 134          2HB       GLU 134 -12.524  -7.156 -11.968
 1059   2HB   GLU 134          1HB       GLU 134 -13.657  -8.499 -12.023
 1060   1HG   GLU 134          2HG       GLU 134 -14.405  -5.621 -11.566
 1061   2HG   GLU 134          1HG       GLU 134 -14.521  -6.472 -13.104
 1062    H    LEU 135           H        LEU 135 -11.510  -7.597  -8.326
 1063    HA   LEU 135           HA       LEU 135  -9.722  -9.520  -9.170
 1064   1HB   LEU 135          2HB       LEU 135  -9.321  -7.884  -7.373
 1065   2HB   LEU 135          1HB       LEU 135 -10.395  -8.788  -6.321
 1066    HG   LEU 135           HG       LEU 135  -8.867 -10.687  -6.345
 1067   1HD1  LEU 135          1HD1      LEU 135  -7.980 -10.384  -8.611
 1068   2HD1  LEU 135          2HD1      LEU 135  -6.689 -10.539  -7.419
 1069   3HD1  LEU 135          3HD1      LEU 135  -7.103  -8.954  -8.071
 1070   1HD2  LEU 135          1HD2      LEU 135  -7.157  -9.738  -4.994
 1071   2HD2  LEU 135          2HD2      LEU 135  -8.615  -8.782  -4.730
 1072   3HD2  LEU 135          3HD2      LEU 135  -7.332  -8.163  -5.769
 1073    H    VAL 136           H        VAL 136 -11.247 -10.332  -6.114
 1074    HA   VAL 136           HA       VAL 136 -11.965 -12.336  -5.288
 1075    HB   VAL 136           HB       VAL 136 -13.391 -12.507  -7.949
 1076   1HG1  VAL 136          1HG1      VAL 136 -13.412 -14.609  -6.709
 1077   2HG1  VAL 136          2HG1      VAL 136 -15.016 -13.880  -6.743
 1078   3HG1  VAL 136          3HG1      VAL 136 -14.031 -13.773  -5.284
 1079   1HG2  VAL 136          1HG2      VAL 136 -15.192 -11.652  -6.033
 1080   2HG2  VAL 136          2HG2      VAL 136 -14.459 -10.666  -7.297
 1081   3HG2  VAL 136          3HG2      VAL 136 -13.734 -10.723  -5.692
 1082    H    PHE 137           H        PHE 137  -9.749 -13.225  -5.458
 1083    HA   PHE 137           HA       PHE 137  -9.827 -15.743  -6.785
 1084   1HB   PHE 137          2HB       PHE 137  -9.222 -14.075  -8.624
 1085   2HB   PHE 137          1HB       PHE 137  -7.653 -13.975  -7.841
 1086    HD1  PHE 137           1HD      PHE 137  -6.056 -15.167  -8.968
 1087    HD2  PHE 137           2HD      PHE 137  -9.984 -16.772  -8.667
 1088    HE1  PHE 137           1HE      PHE 137  -5.321 -17.182 -10.173
 1089    HE2  PHE 137           2HE      PHE 137  -9.256 -18.790  -9.870
 1090    HZ   PHE 137           HZ       PHE 137  -6.925 -19.004 -10.615
 1091    HA   PRO 138           HA       PRO 138  -5.388 -15.095  -4.605
 1092   1HB   PRO 138          2HB       PRO 138  -5.874 -13.253  -2.505
 1093   2HB   PRO 138          1HB       PRO 138  -4.854 -12.996  -3.923
 1094   1HG   PRO 138          2HG       PRO 138  -7.683 -12.181  -3.462
 1095   2HG   PRO 138          1HG       PRO 138  -6.394 -11.332  -4.334
 1096   1HD   PRO 138          2HD       PRO 138  -8.324 -12.572  -5.677
 1097   2HD   PRO 138          1HD       PRO 138  -6.637 -12.672  -6.236
 1098    H    ASP 139           H        ASP 139  -8.202 -14.212  -2.665
 1099    HA   ASP 139           HA       ASP 139  -7.827 -16.646  -1.053
 1100   1HB   ASP 139          2HB       ASP 139  -7.724 -14.522   0.209
 1101   2HB   ASP 139          1HB       ASP 139  -9.336 -14.112  -0.361
 1102    H    GLY 140           H        GLY 140 -10.025 -14.843  -3.058
 1103   1HA   GLY 140          2HA       GLY 140 -11.607 -16.259  -4.328
 1104   2HA   GLY 140          1HA       GLY 140 -12.034 -17.004  -2.791
 1105    H    GLU 141           H        GLU 141 -11.418 -13.647  -3.408
 1106    HA   GLU 141           HA       GLU 141 -13.906 -12.670  -3.973
 1107   1HB   GLU 141          2HB       GLU 141 -14.778 -11.863  -1.863
 1108   2HB   GLU 141          1HB       GLU 141 -14.660 -13.618  -1.824
 1109   1HG   GLU 141          2HG       GLU 141 -12.464 -13.296  -0.604
 1110   2HG   GLU 141          1HG       GLU 141 -12.905 -11.602  -0.461
 1111    H    MET 142           H        MET 142 -14.001 -10.422  -3.844
 1112    HA   MET 142           HA       MET 142 -11.597  -9.104  -4.270
 1113   1HB   MET 142          2HB       MET 142 -14.285  -7.982  -3.500
 1114   2HB   MET 142          1HB       MET 142 -12.920  -7.004  -4.029
 1115   1HG   MET 142          2HG       MET 142 -12.916  -8.112  -6.173
 1116   2HG   MET 142          1HG       MET 142 -14.211  -9.173  -5.637
 1117   1HE   MET 142          1HE       MET 142 -16.084  -7.629  -4.085
 1118   2HE   MET 142          2HE       MET 142 -16.898  -8.314  -5.493
 1119   3HE   MET 142          3HE       MET 142 -17.131  -6.616  -5.081
 1120    H    LEU 143           H        LEU 143 -11.284  -6.946  -2.934
 1121    HA   LEU 143           HA       LEU 143 -10.446  -7.889  -0.338
 1122   1HB   LEU 143          2HB       LEU 143 -10.128  -5.106  -1.377
 1123   2HB   LEU 143          1HB       LEU 143  -9.165  -5.944  -0.190
 1124    HG   LEU 143           HG       LEU 143  -9.032  -6.005  -3.137
 1125   1HD1  LEU 143          1HD1      LEU 143  -6.541  -6.409  -2.182
 1126   2HD1  LEU 143          2HD1      LEU 143  -7.278  -5.582  -0.809
 1127   3HD1  LEU 143          3HD1      LEU 143  -7.269  -4.819  -2.399
 1128   1HD2  LEU 143          1HD2      LEU 143  -9.227  -8.288  -3.071
 1129   2HD2  LEU 143          2HD2      LEU 143  -8.677  -8.399  -1.398
 1130   3HD2  LEU 143          3HD2      LEU 143  -7.510  -8.135  -2.694
 1131    H    ARG 144           H        ARG 144 -12.205  -5.088  -1.553
 1132    HA   ARG 144           HA       ARG 144 -12.956  -4.002   0.816
 1133   1HB   ARG 144          2HB       ARG 144 -13.222  -2.863  -1.329
 1134   2HB   ARG 144          1HB       ARG 144 -14.579  -3.919  -1.697
 1135   1HG   ARG 144          2HG       ARG 144 -15.841  -3.066   0.146
 1136   2HG   ARG 144          1HG       ARG 144 -14.480  -2.108   0.709
 1137   1HD   ARG 144          2HD       ARG 144 -15.855  -0.576  -0.409
 1138   2HD   ARG 144          1HD       ARG 144 -14.598  -0.961  -1.585
 1139    HE   ARG 144           HE       ARG 144 -16.252  -1.706  -2.952
 1140   1HH1  ARG 144          1HH1      ARG 144 -17.348  -2.042   0.344
 1141   2HH1  ARG 144          2HH1      ARG 144 -18.908  -2.646  -0.102
 1142   1HH2  ARG 144          1HH2      ARG 144 -18.311  -2.495  -3.541
 1143   2HH2  ARG 144          2HH2      ARG 144 -19.454  -2.905  -2.306
 1144    H    GLN 145           H        GLN 145 -15.187  -6.107  -1.099
 1145    HA   GLN 145           HA       GLN 145 -17.240  -6.051   0.707
 1146   1HB   GLN 145          2HB       GLN 145 -17.558  -8.593   0.036
 1147   2HB   GLN 145          1HB       GLN 145 -17.852  -7.293  -1.107
 1148   1HG   GLN 145          2HG       GLN 145 -16.565  -9.180  -2.047
 1149   2HG   GLN 145          1HG       GLN 145 -15.724  -7.626  -2.131
 1150   1HE2  GLN 145          1HE2      GLN 145 -13.991  -7.248  -0.912
 1151   2HE2  GLN 145          2HE2      GLN 145 -13.175  -8.452   0.003
 1152    H    ILE 146           H        ILE 146 -14.137  -7.640   1.087
 1153    HA   ILE 146           HA       ILE 146 -14.886  -9.131   3.436
 1154    HB   ILE 146           HB       ILE 146 -12.112  -8.230   2.672
 1155   1HG1  ILE 146          2HG1      ILE 146 -13.385 -10.862   1.937
 1156   2HG1  ILE 146          1HG1      ILE 146 -13.270  -9.495   0.831
 1157   1HG2  ILE 146          1HG2      ILE 146 -12.237  -9.031   4.919
 1158   2HG2  ILE 146          2HG2      ILE 146 -11.466 -10.278   3.939
 1159   3HG2  ILE 146          3HG2      ILE 146 -13.156 -10.449   4.418
 1160   1HD1  ILE 146          1HD1      ILE 146 -11.480 -11.065   0.435
 1161   2HD1  ILE 146          2HD1      ILE 146 -10.964 -10.928   2.116
 1162   3HD1  ILE 146          3HD1      ILE 146 -10.844  -9.534   1.039
 1163    H    LEU 147           H        LEU 147 -13.312  -6.025   2.725
 1164    HA   LEU 147           HA       LEU 147 -12.796  -5.391   5.481
 1165   1HB   LEU 147          2HB       LEU 147 -11.949  -3.351   4.710
 1166   2HB   LEU 147          1HB       LEU 147 -11.627  -4.454   3.387
 1167    HG   LEU 147           HG       LEU 147 -13.816  -3.574   2.358
 1168   1HD1  LEU 147          1HD1      LEU 147 -14.937  -1.937   3.363
 1169   2HD1  LEU 147          2HD1      LEU 147 -13.466  -0.985   3.571
 1170   3HD1  LEU 147          3HD1      LEU 147 -13.909  -2.196   4.774
 1171   1HD2  LEU 147          1HD2      LEU 147 -12.446  -1.263   1.936
 1172   2HD2  LEU 147          2HD2      LEU 147 -12.173  -2.774   1.072
 1173   3HD2  LEU 147          3HD2      LEU 147 -11.167  -2.356   2.457
 1174    H    HIS 148           H        HIS 148 -15.355  -4.872   3.246
 1175    HA   HIS 148           HA       HIS 148 -16.798  -2.884   4.610
 1176   1HB   HIS 148          2HB       HIS 148 -17.066  -3.342   2.229
 1177   2HB   HIS 148          1HB       HIS 148 -17.631  -4.973   2.569
 1178    HD1  HIS 148           1HD      HIS 148 -19.694  -4.014   1.045
 1179    HD2  HIS 148           2HD      HIS 148 -19.339  -2.479   4.890
 1180    HE1  HIS 148           1HE      HIS 148 -21.917  -2.955   1.554
 1181    HE2  HIS 148           2HE      HIS 148 -21.640  -1.936   3.842
 1182    H    THR 149           H        THR 149 -16.468  -6.283   4.883
 1183    HA   THR 149           HA       THR 149 -18.698  -6.392   6.810
 1184    HB   THR 149           HB       THR 149 -18.747  -8.799   6.433
 1185    HG1  THR 149           1HG      THR 149 -16.457  -8.968   5.975
 1186   1HG2  THR 149          1HG2      THR 149 -19.773  -8.810   4.404
 1187   2HG2  THR 149          2HG2      THR 149 -18.546  -7.790   3.651
 1188   3HG2  THR 149          3HG2      THR 149 -19.756  -7.075   4.718
 1189    H    ARG 150           H        ARG 150 -15.268  -6.467   6.638
 1190    HA   ARG 150           HA       ARG 150 -15.187  -7.740   9.297
 1191   1HB   ARG 150          2HB       ARG 150 -13.068  -7.664   7.159
 1192   2HB   ARG 150          1HB       ARG 150 -12.800  -8.271   8.788
 1193   1HG   ARG 150          2HG       ARG 150 -14.814  -9.371   6.835
 1194   2HG   ARG 150          1HG       ARG 150 -13.227 -10.067   7.172
 1195   1HD   ARG 150          2HD       ARG 150 -13.853 -10.452   9.482
 1196   2HD   ARG 150          1HD       ARG 150 -15.406  -9.662   9.221
 1197    HE   ARG 150           HE       ARG 150 -16.182 -11.665   8.488
 1198   1HH1  ARG 150          1HH1      ARG 150 -12.747 -11.576   7.903
 1199   2HH1  ARG 150          2HH1      ARG 150 -12.690 -13.173   7.235
 1200   1HH2  ARG 150          1HH2      ARG 150 -16.114 -13.769   7.617
 1201   2HH2  ARG 150          2HH2      ARG 150 -14.603 -14.419   7.074
 1202    H    ALA 151           H        ALA 151 -14.499  -4.766   7.656
 1203    HA   ALA 151           HA       ALA 151 -13.244  -3.817  10.139
 1204   1HB   ALA 151          1HB       ALA 151 -11.372  -3.176   9.127
 1205   2HB   ALA 151          2HB       ALA 151 -12.267  -2.381   7.833
 1206   3HB   ALA 151          3HB       ALA 151 -11.903  -4.104   7.723
 1207    H    PHE 152           H        PHE 152 -13.816  -2.042   7.154
 1208    HA   PHE 152           HA       PHE 152 -15.767  -0.400   8.619
 1209   1HB   PHE 152          2HB       PHE 152 -13.739   0.316   6.512
 1210   2HB   PHE 152          1HB       PHE 152 -15.071   1.374   6.938
 1211    HD1  PHE 152           1HD      PHE 152 -14.450   3.117   8.281
 1212    HD2  PHE 152           2HD      PHE 152 -12.571  -0.661   8.832
 1213    HE1  PHE 152           1HE      PHE 152 -13.112   4.056  10.119
 1214    HE2  PHE 152           2HE      PHE 152 -11.231   0.270  10.674
 1215    HZ   PHE 152           HZ       PHE 152 -11.501   2.632  11.319
 1216    H    ASP 153           H        ASP 153 -16.193   1.017   5.969
 1217    HA   ASP 153           HA       ASP 153 -17.786  -1.016   4.576
 1218   1HB   ASP 153          2HB       ASP 153 -18.787   1.736   5.346
 1219   2HB   ASP 153          1HB       ASP 153 -19.677   0.536   4.413
 1220    H    LYS 154           H        LYS 154 -16.602   2.327   4.533
 1221    HA   LYS 154           HA       LYS 154 -15.280   2.104   2.077
 1222   1HB   LYS 154          2HB       LYS 154 -17.593   1.929   1.194
 1223   2HB   LYS 154          1HB       LYS 154 -17.961   3.498   1.890
 1224   1HG   LYS 154          2HG       LYS 154 -15.682   3.273  -0.012
 1225   2HG   LYS 154          1HG       LYS 154 -17.332   3.247  -0.639
 1226   1HD   LYS 154          2HD       LYS 154 -17.791   5.378   0.462
 1227   2HD   LYS 154          1HD       LYS 154 -16.154   5.398   1.119
 1228   1HE   LYS 154          2HE       LYS 154 -15.242   5.465  -1.147
 1229   2HE   LYS 154          1HE       LYS 154 -16.875   5.428  -1.809
 1230   1HZ   LYS 154          1HZ       LYS 154 -16.642   7.520   0.074
 1231   2HZ   LYS 154          2HZ       LYS 154 -17.026   7.612  -1.571
 1232   3HZ   LYS 154          3HZ       LYS 154 -15.408   7.658  -1.076
 1233    H    LEU 155           H        LEU 155 -13.663   3.281   2.971
 1234    HA   LEU 155           HA       LEU 155 -13.950   5.556   4.583
 1235   1HB   LEU 155          2HB       LEU 155 -11.622   4.838   2.793
 1236   2HB   LEU 155          1HB       LEU 155 -11.578   5.961   4.137
 1237    HG   LEU 155           HG       LEU 155 -12.020   2.975   4.323
 1238   1HD1  LEU 155          1HD1      LEU 155  -9.862   3.106   5.598
 1239   2HD1  LEU 155          2HD1      LEU 155  -9.698   4.763   5.015
 1240   3HD1  LEU 155          3HD1      LEU 155  -9.734   3.424   3.868
 1241   1HD2  LEU 155          1HD2      LEU 155 -11.615   3.641   6.838
 1242   2HD2  LEU 155          2HD2      LEU 155 -13.229   3.701   6.131
 1243   3HD2  LEU 155          3HD2      LEU 155 -12.287   5.182   6.308
 1244    H    ASN 156           H        ASN 156 -12.704   7.715   3.767
 1245    HA   ASN 156           HA       ASN 156 -14.200   8.538   1.373
 1246   1HB   ASN 156          2HB       ASN 156 -14.014  10.822   2.198
 1247   2HB   ASN 156          1HB       ASN 156 -14.700   9.792   3.450
 1248   1HD2  ASN 156          1HD2      ASN 156 -13.932  10.149   5.385
 1249   2HD2  ASN 156          2HD2      ASN 156 -12.349  10.721   5.766
 1250    H    LYS 157           H        LYS 157 -13.150   9.861  -0.191
 1251    HA   LYS 157           HA       LYS 157 -10.408   9.083  -0.593
 1252   1HB   LYS 157          2HB       LYS 157 -12.345   9.438  -2.331
 1253   2HB   LYS 157          1HB       LYS 157 -11.760  11.094  -2.335
 1254   1HG   LYS 157          2HG       LYS 157 -10.707   9.925  -4.128
 1255   2HG   LYS 157          1HG       LYS 157  -9.493  10.212  -2.881
 1256   1HD   LYS 157          2HD       LYS 157  -9.284   7.954  -3.733
 1257   2HD   LYS 157          1HD       LYS 157  -9.834   7.913  -2.057
 1258   1HE   LYS 157          2HE       LYS 157 -12.137   7.586  -2.825
 1259   2HE   LYS 157          1HE       LYS 157 -11.585   7.625  -4.498
 1260   1HZ   LYS 157          1HZ       LYS 157 -10.293   5.642  -4.103
 1261   2HZ   LYS 157          2HZ       LYS 157 -11.906   5.362  -3.678
 1262   3HZ   LYS 157          3HZ       LYS 157 -10.748   5.621  -2.474
 1263    H    TRP 158           H        TRP 158  -9.328  10.066   1.062
 1264    HA   TRP 158           HA       TRP 158  -8.250  11.677   2.225
 1265   1HB   TRP 158          2HB       TRP 158  -7.177  11.732  -0.060
 1266   2HB   TRP 158          1HB       TRP 158  -8.209  13.105  -0.439
 1267    HD1  TRP 158           HD       TRP 158  -6.139  12.478   2.787
 1268    HE1  TRP 158           1HE      TRP 158  -4.595  14.506   3.137
 1269    HE3  TRP 158           3HE      TRP 158  -7.281  15.110  -1.447
 1270    HZ2  TRP 158           2HZ      TRP 158  -3.946  16.903   1.798
 1271    HZ3  TRP 158           3HZ      TRP 158  -6.153  17.262  -1.837
 1272    HH2  TRP 158           HH       TRP 158  -4.520  18.140  -0.246
  Start of MODEL   12
    1   1H    THR   1          1HT       THR   1   4.515 -10.308 -15.269
    2   2H    THR   1          2HT       THR   1   5.199  -9.316 -14.081
    3   3H    THR   1          3HT       THR   1   4.033  -8.690 -15.135
    4    HA   THR   1           HA       THR   1   2.460 -10.410 -14.208
    5    HB   THR   1           HB       THR   1   4.611 -10.429 -12.076
    6    HG1  THR   1           1HG      THR   1   4.344 -11.905 -14.261
    7   1HG2  THR   1          1HG2      THR   1   2.485 -10.667 -11.004
    8   2HG2  THR   1          2HG2      THR   1   3.256 -12.254 -11.080
    9   3HG2  THR   1          3HG2      THR   1   1.963 -11.848 -12.209
   10    H    VAL   2           H        VAL   2   0.942  -8.907 -13.885
   11    HA   VAL   2           HA       VAL   2   1.427  -6.374 -12.719
   12    HB   VAL   2           HB       VAL   2  -1.224  -7.782 -13.085
   13   1HG1  VAL   2          1HG1      VAL   2  -0.688  -5.461 -11.696
   14   2HG1  VAL   2          2HG1      VAL   2  -2.251  -5.938 -12.359
   15   3HG1  VAL   2          3HG1      VAL   2  -1.186  -4.882 -13.287
   16   1HG2  VAL   2          1HG2      VAL   2  -0.900  -7.543 -15.269
   17   2HG2  VAL   2          2HG2      VAL   2   0.630  -6.711 -14.997
   18   3HG2  VAL   2          3HG2      VAL   2  -0.878  -5.796 -15.033
   19    H    ALA   3           H        ALA   3   2.124  -6.300 -10.664
   20    HA   ALA   3           HA       ALA   3   0.803  -7.952  -8.641
   21   1HB   ALA   3          1HB       ALA   3   3.265  -7.980  -8.751
   22   2HB   ALA   3          2HB       ALA   3   2.660  -7.409  -7.196
   23   3HB   ALA   3          3HB       ALA   3   3.281  -6.257  -8.378
   24    H    TYR   4           H        TYR   4  -0.403  -7.144  -7.029
   25    HA   TYR   4           HA       TYR   4  -1.074  -4.305  -7.181
   26   1HB   TYR   4          2HB       TYR   4  -2.411  -6.579  -5.696
   27   2HB   TYR   4          1HB       TYR   4  -2.992  -4.917  -5.731
   28    HD1  TYR   4           1HD      TYR   4  -1.955  -7.574  -8.160
   29    HD2  TYR   4           2HD      TYR   4  -4.679  -4.436  -7.238
   30    HE1  TYR   4           1HE      TYR   4  -3.209  -8.062 -10.218
   31    HE2  TYR   4           2HE      TYR   4  -5.938  -4.919  -9.292
   32    HH   TYR   4           HH       TYR   4  -5.989  -7.491 -10.859
   33    H    ILE   5           H        ILE   5  -0.163  -2.913  -5.885
   34    HA   ILE   5           HA       ILE   5   0.901  -3.808  -3.282
   35    HB   ILE   5           HB       ILE   5   2.230  -1.433  -4.126
   36   1HG1  ILE   5          2HG1      ILE   5   2.196  -3.627  -6.214
   37   2HG1  ILE   5          1HG1      ILE   5   1.504  -2.026  -6.394
   38   1HG2  ILE   5          1HG2      ILE   5   2.882  -3.594  -2.737
   39   2HG2  ILE   5          2HG2      ILE   5   4.097  -2.594  -3.535
   40   3HG2  ILE   5          3HG2      ILE   5   3.551  -4.088  -4.293
   41   1HD1  ILE   5          1HD1      ILE   5   4.264  -1.834  -5.638
   42   2HD1  ILE   5          2HD1      ILE   5   3.443  -1.209  -7.068
   43   3HD1  ILE   5          3HD1      ILE   5   4.076  -2.854  -7.063
   44    H    ALA   6           H        ALA   6  -0.040  -2.903  -1.581
   45    HA   ALA   6           HA       ALA   6  -1.733  -0.573  -1.874
   46   1HB   ALA   6          1HB       ALA   6  -2.823  -1.560  -0.210
   47   2HB   ALA   6          2HB       ALA   6  -1.446  -1.271   0.853
   48   3HB   ALA   6          3HB       ALA   6  -1.548  -2.770  -0.070
   49    H    ILE   7           H        ILE   7  -1.364   1.463  -1.014
   50    HA   ILE   7           HA       ILE   7   1.208   1.881   0.347
   51    HB   ILE   7           HB       ILE   7   1.563   2.427  -2.001
   52   1HG1  ILE   7          2HG1      ILE   7   1.375   4.946  -0.336
   53   2HG1  ILE   7          1HG1      ILE   7   2.674   3.764  -0.214
   54   1HG2  ILE   7          1HG2      ILE   7  -0.536   4.562  -1.735
   55   2HG2  ILE   7          2HG2      ILE   7  -0.860   2.974  -2.429
   56   3HG2  ILE   7          3HG2      ILE   7   0.316   4.046  -3.189
   57   1HD1  ILE   7          1HD1      ILE   7   2.079   5.706  -2.391
   58   2HD1  ILE   7          2HD1      ILE   7   2.947   4.216  -2.763
   59   3HD1  ILE   7          3HD1      ILE   7   3.605   5.350  -1.582
   60    H    GLY   8           H        GLY   8   1.158   3.284   2.018
   61   1HA   GLY   8          2HA       GLY   8  -1.183   5.054   2.269
   62   2HA   GLY   8          1HA       GLY   8  -0.801   3.950   3.580
   63    H    SER   9           H        SER   9  -0.911   6.902   3.516
   64    HA   SER   9           HA       SER   9   1.622   7.346   4.849
   65   1HB   SER   9          2HB       SER   9   2.007   9.496   3.582
   66   2HB   SER   9          1HB       SER   9   2.294   8.020   2.666
   67    HG   SER   9           HG       SER   9   0.425   9.991   2.295
   68    H    ASN  10           H        ASN  10   1.752   9.452   5.893
   69    HA   ASN  10           HA       ASN  10  -0.738  10.837   6.421
   70   1HB   ASN  10          2HB       ASN  10   0.803   9.378   8.581
   71   2HB   ASN  10          1HB       ASN  10  -0.471  10.553   8.891
   72   1HD2  ASN  10          1HD2      ASN  10   0.164   7.365   8.714
   73   2HD2  ASN  10          2HD2      ASN  10  -1.413   6.764   8.338
   74    H    LEU  11           H        LEU  11   1.396  11.236   8.979
   75    HA   LEU  11           HA       LEU  11   2.740  12.950   9.627
   76   1HB   LEU  11          2HB       LEU  11   3.681  12.566   6.791
   77   2HB   LEU  11          1HB       LEU  11   4.473  13.646   7.922
   78    HG   LEU  11           HG       LEU  11   4.238  10.647   8.137
   79   1HD1  LEU  11          1HD1      LEU  11   6.687  10.743   8.020
   80   2HD1  LEU  11          2HD1      LEU  11   6.598  12.489   7.791
   81   3HD1  LEU  11          3HD1      LEU  11   5.926  11.405   6.573
   82   1HD2  LEU  11          1HD2      LEU  11   5.616  12.496  10.074
   83   2HD2  LEU  11          2HD2      LEU  11   5.376  10.755  10.221
   84   3HD2  LEU  11          3HD2      LEU  11   3.997  11.848  10.336
   85    H    ALA  12           H        ALA  12   3.664  15.221   8.760
   86    HA   ALA  12           HA       ALA  12   1.335  16.849   8.365
   87   1HB   ALA  12          1HB       ALA  12   2.623  18.296   9.457
   88   2HB   ALA  12          2HB       ALA  12   3.656  18.418   8.034
   89   3HB   ALA  12          3HB       ALA  12   4.016  17.228   9.287
   90    H    SER  13           H        SER  13   4.172  15.955   6.476
   91    HA   SER  13           HA       SER  13   2.903  17.106   4.077
   92   1HB   SER  13          2HB       SER  13   5.183  17.204   3.104
   93   2HB   SER  13          1HB       SER  13   5.056  18.169   4.574
   94    HG   SER  13           HG       SER  13   6.863  17.027   4.892
   95    HA   PRO  14           HA       PRO  14   2.688  12.507   3.713
   96   1HB   PRO  14          2HB       PRO  14   0.364  12.517   2.291
   97   2HB   PRO  14          1HB       PRO  14   0.433  12.532   4.056
   98   1HG   PRO  14          2HG       PRO  14   0.031  14.811   2.157
   99   2HG   PRO  14          1HG       PRO  14  -0.809  14.461   3.679
  100   1HD   PRO  14          2HD       PRO  14   1.156  16.293   3.528
  101   2HD   PRO  14          1HD       PRO  14   0.922  15.285   4.970
  102    H    LEU  15           H        LEU  15   2.188  14.973   1.202
  103    HA   LEU  15           HA       LEU  15   2.333  13.419  -1.059
  104   1HB   LEU  15          2HB       LEU  15   1.939  15.831  -1.117
  105   2HB   LEU  15          1HB       LEU  15   3.606  16.125  -0.655
  106    HG   LEU  15           HG       LEU  15   4.321  14.994  -2.787
  107   1HD1  LEU  15          1HD1      LEU  15   2.691  14.678  -4.542
  108   2HD1  LEU  15          2HD1      LEU  15   1.393  15.220  -3.479
  109   3HD1  LEU  15          3HD1      LEU  15   2.244  13.715  -3.133
  110   1HD2  LEU  15          1HD2      LEU  15   2.846  17.064  -4.021
  111   2HD2  LEU  15          2HD2      LEU  15   4.517  17.102  -3.458
  112   3HD2  LEU  15          3HD2      LEU  15   3.212  17.597  -2.379
  113    H    GLU  16           H        GLU  16   5.144  15.018   0.445
  114    HA   GLU  16           HA       GLU  16   7.119  13.940  -1.129
  115   1HB   GLU  16          2HB       GLU  16   7.290  14.551   1.823
  116   2HB   GLU  16          1HB       GLU  16   8.659  14.377   0.735
  117   1HG   GLU  16          2HG       GLU  16   6.520  16.488   0.569
  118   2HG   GLU  16          1HG       GLU  16   8.165  16.714   1.161
  119    H    GLN  17           H        GLN  17   5.423  12.388   1.524
  120    HA   GLN  17           HA       GLN  17   7.287  10.182   1.622
  121   1HB   GLN  17          2HB       GLN  17   4.604  10.009   2.915
  122   2HB   GLN  17          1HB       GLN  17   6.172   9.478   3.499
  123   1HG   GLN  17          2HG       GLN  17   5.258  12.340   3.341
  124   2HG   GLN  17          1HG       GLN  17   5.278  11.349   4.795
  125   1HE2  GLN  17          1HE2      GLN  17   7.895  10.258   3.347
  126   2HE2  GLN  17          2HE2      GLN  17   9.091  11.365   3.918
  127    H    VAL  18           H        VAL  18   3.787  10.386   0.908
  128    HA   VAL  18           HA       VAL  18   3.465   7.835  -0.126
  129    HB   VAL  18           HB       VAL  18   1.579   9.358   0.342
  130   1HG1  VAL  18          1HG1      VAL  18   2.935  11.220  -1.074
  131   2HG1  VAL  18          2HG1      VAL  18   1.213  11.316  -0.708
  132   3HG1  VAL  18          3HG1      VAL  18   1.749  10.698  -2.271
  133   1HG2  VAL  18          1HG2      VAL  18   1.499   7.361  -1.281
  134   2HG2  VAL  18          2HG2      VAL  18   1.399   8.584  -2.548
  135   3HG2  VAL  18          3HG2      VAL  18   0.159   8.508  -1.296
  136    H    ASN  19           H        ASN  19   4.884  10.667  -1.529
  137    HA   ASN  19           HA       ASN  19   4.914   9.651  -4.227
  138   1HB   ASN  19          2HB       ASN  19   4.813  12.040  -3.959
  139   2HB   ASN  19          1HB       ASN  19   6.242  12.037  -2.930
  140   1HD2  ASN  19          1HD2      ASN  19   5.110  12.533  -5.994
  141   2HD2  ASN  19          2HD2      ASN  19   6.602  12.433  -6.855
  142    H    ALA  20           H        ALA  20   6.985   9.652  -1.443
  143    HA   ALA  20           HA       ALA  20   9.470   9.121  -2.529
  144   1HB   ALA  20          1HB       ALA  20   9.951   7.921  -0.418
  145   2HB   ALA  20          2HB       ALA  20   8.236   8.005  -0.016
  146   3HB   ALA  20          3HB       ALA  20   9.180   9.486  -0.163
  147    H    ALA  21           H        ALA  21   6.764   6.952  -1.927
  148    HA   ALA  21           HA       ALA  21   8.209   4.619  -2.834
  149   1HB   ALA  21          1HB       ALA  21   6.598   3.730  -1.545
  150   2HB   ALA  21          2HB       ALA  21   5.538   3.949  -2.937
  151   3HB   ALA  21          3HB       ALA  21   5.587   5.170  -1.666
  152    H    LEU  22           H        LEU  22   5.589   6.670  -4.000
  153    HA   LEU  22           HA       LEU  22   5.173   5.507  -6.492
  154   1HB   LEU  22          2HB       LEU  22   3.560   7.035  -5.839
  155   2HB   LEU  22          1HB       LEU  22   4.742   8.212  -5.303
  156    HG   LEU  22           HG       LEU  22   5.287   8.683  -7.666
  157   1HD1  LEU  22          1HD1      LEU  22   4.636   7.266  -9.249
  158   2HD1  LEU  22          2HD1      LEU  22   2.967   7.750  -8.951
  159   3HD1  LEU  22          3HD1      LEU  22   3.652   6.369  -8.092
  160   1HD2  LEU  22          1HD2      LEU  22   3.414  10.085  -8.055
  161   2HD2  LEU  22          2HD2      LEU  22   3.612   9.973  -6.306
  162   3HD2  LEU  22          3HD2      LEU  22   2.352   9.039  -7.112
  163    H    LYS  23           H        LYS  23   7.834   7.243  -5.290
  164    HA   LYS  23           HA       LYS  23   8.788   8.272  -7.791
  165   1HB   LYS  23          2HB       LYS  23   9.362   9.393  -5.702
  166   2HB   LYS  23          1HB       LYS  23  10.162   7.939  -5.117
  167   1HG   LYS  23          2HG       LYS  23  11.830   8.132  -6.890
  168   2HG   LYS  23          1HG       LYS  23  11.020   9.579  -7.495
  169   1HD   LYS  23          2HD       LYS  23  11.458  10.718  -5.381
  170   2HD   LYS  23          1HD       LYS  23  12.238   9.265  -4.751
  171   1HE   LYS  23          2HE       LYS  23  13.886  10.894  -5.521
  172   2HE   LYS  23          1HE       LYS  23  13.946   9.418  -6.484
  173   1HZ   LYS  23          1HZ       LYS  23  13.318  12.104  -7.287
  174   2HZ   LYS  23          2HZ       LYS  23  12.188  10.972  -7.837
  175   3HZ   LYS  23          3HZ       LYS  23  13.824  10.787  -8.221
  176    H    ALA  24           H        ALA  24  10.005   5.714  -5.587
  177    HA   ALA  24           HA       ALA  24  11.762   4.643  -7.587
  178   1HB   ALA  24          1HB       ALA  24  11.536   2.641  -5.770
  179   2HB   ALA  24          2HB       ALA  24  11.067   4.034  -4.794
  180   3HB   ALA  24          3HB       ALA  24  12.632   4.013  -5.606
  181    H    LEU  25           H        LEU  25   8.661   3.648  -6.197
  182    HA   LEU  25           HA       LEU  25   8.258   1.282  -7.578
  183   1HB   LEU  25          2HB       LEU  25   6.793   2.342  -5.751
  184   2HB   LEU  25          1HB       LEU  25   6.061   3.278  -7.042
  185    HG   LEU  25           HG       LEU  25   5.275   1.233  -8.106
  186   1HD1  LEU  25          1HD1      LEU  25   7.286  -0.047  -6.918
  187   2HD1  LEU  25          2HD1      LEU  25   5.823  -0.867  -7.461
  188   3HD1  LEU  25          3HD1      LEU  25   6.005  -0.420  -5.766
  189   1HD2  LEU  25          1HD2      LEU  25   3.588   0.658  -6.495
  190   2HD2  LEU  25          2HD2      LEU  25   3.925   2.384  -6.367
  191   3HD2  LEU  25          3HD2      LEU  25   4.585   1.266  -5.173
  192    H    GLY  26           H        GLY  26   7.841   4.623  -8.582
  193   1HA   GLY  26          2HA       GLY  26   6.437   4.285 -10.960
  194   2HA   GLY  26          1HA       GLY  26   7.617   5.558 -10.668
  195    H    ASP  27           H        ASP  27   9.954   4.195 -10.424
  196    HA   ASP  27           HA       ASP  27  10.181   2.626 -12.898
  197   1HB   ASP  27          2HB       ASP  27  10.954   4.927 -13.343
  198   2HB   ASP  27          1HB       ASP  27  12.095   4.798 -12.010
  199    H    ILE  28           H        ILE  28  10.499   0.690 -12.027
  200    HA   ILE  28           HA       ILE  28  12.657   0.340 -10.049
  201    HB   ILE  28           HB       ILE  28  10.598  -1.765 -10.608
  202   1HG1  ILE  28          2HG1      ILE  28  10.215   0.596  -8.754
  203   2HG1  ILE  28          1HG1      ILE  28   9.306   0.288 -10.230
  204   1HG2  ILE  28          1HG2      ILE  28  10.969  -2.227  -8.184
  205   2HG2  ILE  28          2HG2      ILE  28  12.214  -0.979  -8.193
  206   3HG2  ILE  28          3HG2      ILE  28  12.403  -2.421  -9.190
  207   1HD1  ILE  28          1HD1      ILE  28   9.289  -1.867  -8.225
  208   2HD1  ILE  28          2HD1      ILE  28   7.994  -1.254  -9.253
  209   3HD1  ILE  28          3HD1      ILE  28   8.447  -0.380  -7.790
  210    HA   PRO  29           HA       PRO  29  15.519  -1.799 -12.688
  211   1HB   PRO  29          2HB       PRO  29  14.585  -4.181 -11.118
  212   2HB   PRO  29          1HB       PRO  29  16.220  -3.759 -11.637
  213   1HG   PRO  29          2HG       PRO  29  15.262  -3.215  -9.145
  214   2HG   PRO  29          1HG       PRO  29  16.513  -2.249  -9.945
  215   1HD   PRO  29          2HD       PRO  29  13.819  -1.481  -9.247
  216   2HD   PRO  29          1HD       PRO  29  15.095  -0.485  -9.972
  217    H    GLU  30           H        GLU  30  12.784  -4.040 -12.023
  218    HA   GLU  30           HA       GLU  30  12.427  -4.275 -14.944
  219   1HB   GLU  30          2HB       GLU  30  12.164  -6.518 -12.937
  220   2HB   GLU  30          1HB       GLU  30  11.944  -6.649 -14.675
  221   1HG   GLU  30          2HG       GLU  30  14.525  -5.855 -13.354
  222   2HG   GLU  30          1HG       GLU  30  14.118  -7.503 -13.830
  223    H    SER  31           H        SER  31  10.972  -2.760 -12.719
  224    HA   SER  31           HA       SER  31   8.294  -3.887 -13.215
  225   1HB   SER  31          2HB       SER  31   9.168  -2.178 -10.878
  226   2HB   SER  31          1HB       SER  31   7.577  -2.897 -11.111
  227    HG   SER  31           HG       SER  31   9.780  -3.985 -10.036
  228    H    HIS  32           H        HIS  32   6.536  -2.116 -12.938
  229    HA   HIS  32           HA       HIS  32   7.215   0.568 -13.620
  230   1HB   HIS  32          2HB       HIS  32   7.670  -0.543 -15.790
  231   2HB   HIS  32          1HB       HIS  32   6.011  -1.118 -15.816
  232    HD1  HIS  32           1HD      HIS  32   6.179   0.290 -18.180
  233    HD2  HIS  32           2HD      HIS  32   5.999   2.478 -14.654
  234    HE1  HIS  32           1HE      HIS  32   5.483   2.607 -18.862
  235    HE2  HIS  32           2HE      HIS  32   5.276   3.883 -16.700
  236    H    ILE  33           H        ILE  33   5.598   1.886 -13.080
  237    HA   ILE  33           HA       ILE  33   3.225   0.888 -11.881
  238    HB   ILE  33           HB       ILE  33   4.184   3.647 -12.584
  239   1HG1  ILE  33          2HG1      ILE  33   5.296   2.565 -10.714
  240   2HG1  ILE  33          1HG1      ILE  33   4.286   3.879 -10.123
  241   1HG2  ILE  33          1HG2      ILE  33   1.627   3.007 -11.118
  242   2HG2  ILE  33          2HG2      ILE  33   1.722   3.610 -12.773
  243   3HG2  ILE  33          3HG2      ILE  33   2.291   4.610 -11.436
  244   1HD1  ILE  33          1HD1      ILE  33   3.354   2.468  -8.718
  245   2HD1  ILE  33          2HD1      ILE  33   4.261   1.125  -9.413
  246   3HD1  ILE  33          3HD1      ILE  33   2.694   1.576 -10.087
  247    H    LEU  34           H        LEU  34   1.036   1.204 -12.531
  248    HA   LEU  34           HA       LEU  34   0.563   2.107 -15.251
  249   1HB   LEU  34          2HB       LEU  34  -0.822   0.106 -15.775
  250   2HB   LEU  34          1HB       LEU  34   0.899  -0.195 -15.674
  251    HG   LEU  34           HG       LEU  34   0.384  -0.971 -13.250
  252   1HD1  LEU  34          1HD1      LEU  34  -2.011  -0.093 -13.476
  253   2HD1  LEU  34          2HD1      LEU  34  -1.778  -1.687 -12.758
  254   3HD1  LEU  34          3HD1      LEU  34  -2.309  -1.542 -14.435
  255   1HD2  LEU  34          1HD2      LEU  34  -0.779  -3.005 -14.939
  256   2HD2  LEU  34          2HD2      LEU  34   0.774  -2.985 -14.104
  257   3HD2  LEU  34          3HD2      LEU  34   0.623  -2.257 -15.702
  258    H    THR  35           H        THR  35  -0.619   1.395 -12.046
  259    HA   THR  35           HA       THR  35  -2.861   3.203 -12.563
  260    HB   THR  35           HB       THR  35  -4.369   1.654 -11.196
  261    HG1  THR  35           1HG      THR  35  -2.223   0.258 -10.988
  262   1HG2  THR  35          1HG2      THR  35  -4.996   1.803 -13.420
  263   2HG2  THR  35          2HG2      THR  35  -4.742   0.074 -13.183
  264   3HG2  THR  35          3HG2      THR  35  -3.513   1.043 -13.995
  265    H    VAL  36           H        VAL  36  -3.119   4.648 -11.000
  266    HA   VAL  36           HA       VAL  36  -2.530   4.050  -8.224
  267    HB   VAL  36           HB       VAL  36  -0.977   6.207  -9.679
  268   1HG1  VAL  36          1HG1      VAL  36  -1.621   7.015  -7.513
  269   2HG1  VAL  36          2HG1      VAL  36   0.089   6.589  -7.468
  270   3HG1  VAL  36          3HG1      VAL  36  -1.107   5.510  -6.749
  271   1HG2  VAL  36          1HG2      VAL  36   0.281   4.346 -10.113
  272   2HG2  VAL  36          2HG2      VAL  36  -0.255   3.506  -8.659
  273   3HG2  VAL  36          3HG2      VAL  36   0.939   4.798  -8.541
  274    H    SER  37           H        SER  37  -4.299   4.866  -7.206
  275    HA   SER  37           HA       SER  37  -4.944   7.617  -7.332
  276   1HB   SER  37          2HB       SER  37  -5.884   6.933  -9.525
  277   2HB   SER  37          1HB       SER  37  -6.926   5.778  -8.695
  278    HG   SER  37           HG       SER  37  -6.932   8.595  -8.343
  279    H    SER  38           H        SER  38  -7.457   7.763  -6.472
  280    HA   SER  38           HA       SER  38  -8.931   7.386  -4.792
  281   1HB   SER  38          2HB       SER  38  -7.462   4.766  -4.427
  282   2HB   SER  38          1HB       SER  38  -8.958   5.210  -3.605
  283    HG   SER  38           HG       SER  38  -9.341   3.956  -5.481
  284    H    PHE  39           H        PHE  39  -7.265   9.204  -4.138
  285    HA   PHE  39           HA       PHE  39  -5.830   8.505  -1.696
  286   1HB   PHE  39          2HB       PHE  39  -6.056  11.138  -3.162
  287   2HB   PHE  39          1HB       PHE  39  -5.098  10.879  -1.717
  288    HD1  PHE  39           1HD      PHE  39  -5.531   9.102  -4.969
  289    HD2  PHE  39           2HD      PHE  39  -2.841  10.798  -2.140
  290    HE1  PHE  39           1HE      PHE  39  -3.629   8.407  -6.365
  291    HE2  PHE  39           2HE      PHE  39  -0.935  10.107  -3.532
  292    HZ   PHE  39           HZ       PHE  39  -1.299   8.956  -5.634
  293    H    TYR  40           H        TYR  40  -7.324   8.127  -0.140
  294    HA   TYR  40           HA       TYR  40  -9.316  10.217   0.337
  295   1HB   TYR  40          2HB       TYR  40 -10.424   8.363   1.730
  296   2HB   TYR  40          1HB       TYR  40 -10.472   8.226  -0.030
  297    HD1  TYR  40           1HD      TYR  40  -9.921   6.213  -0.952
  298    HD2  TYR  40           2HD      TYR  40  -8.269   7.252   2.822
  299    HE1  TYR  40           1HE      TYR  40  -8.910   3.988  -0.788
  300    HE2  TYR  40           2HE      TYR  40  -7.245   5.030   2.988
  301    HH   TYR  40           HH       TYR  40  -8.098   2.546   1.625
  302    H    ARG  41           H        ARG  41 -10.091   9.934   2.770
  303    HA   ARG  41           HA       ARG  41  -7.899  10.933   4.361
  304   1HB   ARG  41          2HB       ARG  41 -10.058  12.043   4.434
  305   2HB   ARG  41          1HB       ARG  41 -10.842  10.556   4.940
  306   1HG   ARG  41          2HG       ARG  41  -9.300  10.675   6.988
  307   2HG   ARG  41          1HG       ARG  41  -9.029  12.352   6.511
  308   1HD   ARG  41          2HD       ARG  41 -11.512  12.668   6.516
  309   2HD   ARG  41          1HD       ARG  41 -11.663  11.047   7.189
  310    HE   ARG  41           HE       ARG  41 -11.052  11.880   9.227
  311   1HH1  ARG  41          1HH1      ARG  41 -10.225  14.195   6.759
  312   2HH1  ARG  41          2HH1      ARG  41  -9.710  15.405   7.884
  313   1HH2  ARG  41          1HH2      ARG  41 -10.378  13.471  10.719
  314   2HH2  ARG  41          2HH2      ARG  41  -9.796  14.995  10.134
  315    H    THR  42           H        THR  42  -6.604   9.611   5.480
  316    HA   THR  42           HA       THR  42  -7.846   7.347   6.891
  317    HB   THR  42           HB       THR  42  -5.263   7.204   5.336
  318    HG1  THR  42           1HG      THR  42  -7.788   5.973   4.990
  319   1HG2  THR  42          1HG2      THR  42  -4.689   5.361   6.418
  320   2HG2  THR  42          2HG2      THR  42  -6.315   4.694   6.282
  321   3HG2  THR  42          3HG2      THR  42  -5.914   5.773   7.617
  322    HA   PRO  43           HA       PRO  43  -5.522   9.544  10.061
  323   1HB   PRO  43          2HB       PRO  43  -6.619   8.282  12.181
  324   2HB   PRO  43          1HB       PRO  43  -7.458   9.568  11.306
  325   1HG   PRO  43          2HG       PRO  43  -7.774   6.597  11.017
  326   2HG   PRO  43          1HG       PRO  43  -9.031   7.845  11.139
  327   1HD   PRO  43          2HD       PRO  43  -8.279   6.795   8.761
  328   2HD   PRO  43          1HD       PRO  43  -8.778   8.492   8.926
  329    HA   PRO  44           HA       PRO  44  -1.933   7.109  10.619
  330   1HB   PRO  44          2HB       PRO  44  -2.497   7.663  13.528
  331   2HB   PRO  44          1HB       PRO  44  -0.947   7.685  12.672
  332   1HG   PRO  44          2HG       PRO  44  -2.255   9.948  13.146
  333   2HG   PRO  44          1HG       PRO  44  -1.425   9.690  11.600
  334   1HD   PRO  44          2HD       PRO  44  -4.320   9.724  12.196
  335   2HD   PRO  44          1HD       PRO  44  -3.481  10.051  10.672
  336    H    LEU  45           H        LEU  45  -4.357   6.528  13.168
  337    HA   LEU  45           HA       LEU  45  -5.294   4.666  14.044
  338   1HB   LEU  45          2HB       LEU  45  -5.919   4.233  11.722
  339   2HB   LEU  45          1HB       LEU  45  -4.401   3.393  11.462
  340    HG   LEU  45           HG       LEU  45  -5.078   1.676  13.097
  341   1HD1  LEU  45          1HD1      LEU  45  -7.126   1.652  14.186
  342   2HD1  LEU  45          2HD1      LEU  45  -7.832   2.846  13.096
  343   3HD1  LEU  45          3HD1      LEU  45  -6.639   3.345  14.297
  344   1HD2  LEU  45          1HD2      LEU  45  -7.322   1.947  11.138
  345   2HD2  LEU  45          2HD2      LEU  45  -6.446   0.503  11.644
  346   3HD2  LEU  45          3HD2      LEU  45  -5.672   1.676  10.579
  347    H    GLY  46           H        GLY  46  -3.563   4.724  15.694
  348   1HA   GLY  46          2HA       GLY  46  -2.668   2.509  16.695
  349   2HA   GLY  46          1HA       GLY  46  -1.576   2.581  15.321
  350    HA   PRO  47           HA       PRO  47   1.296   5.336  17.170
  351   1HB   PRO  47          2HB       PRO  47   0.265   7.703  15.687
  352   2HB   PRO  47          1HB       PRO  47   1.912   7.073  15.797
  353   1HG   PRO  47          2HG       PRO  47   0.477   6.704  13.592
  354   2HG   PRO  47          1HG       PRO  47   1.526   5.418  14.215
  355   1HD   PRO  47          2HD       PRO  47  -1.443   5.694  14.381
  356   2HD   PRO  47          1HD       PRO  47  -0.455   4.238  14.141
  357    H    GLN  48           H        GLN  48  -1.946   6.824  16.907
  358    HA   GLN  48           HA       GLN  48  -2.177   7.215  19.681
  359   1HB   GLN  48          2HB       GLN  48  -1.796   9.569  19.928
  360   2HB   GLN  48          1HB       GLN  48  -0.380   8.833  19.193
  361   1HG   GLN  48          2HG       GLN  48  -2.502  10.304  17.661
  362   2HG   GLN  48          1HG       GLN  48  -0.986  11.015  18.211
  363   1HE2  GLN  48          1HE2      GLN  48  -2.547   9.243  15.799
  364   2HE2  GLN  48          2HE2      GLN  48  -1.171   8.911  14.812
  365    H    ASP  49           H        ASP  49  -3.475   9.980  19.094
  366    HA   ASP  49           HA       ASP  49  -6.122   9.109  18.878
  367   1HB   ASP  49          2HB       ASP  49  -4.968  11.854  18.349
  368   2HB   ASP  49          1HB       ASP  49  -6.677  11.503  18.588
  369    H    GLN  50           H        GLN  50  -3.917   8.909  16.521
  370    HA   GLN  50           HA       GLN  50  -3.952   8.658  14.277
  371   1HB   GLN  50          2HB       GLN  50  -6.941   8.396  14.558
  372   2HB   GLN  50          1HB       GLN  50  -5.916   7.720  13.301
  373   1HG   GLN  50          2HG       GLN  50  -6.098   5.856  14.521
  374   2HG   GLN  50          1HG       GLN  50  -4.792   6.584  15.451
  375   1HE2  GLN  50          1HE2      GLN  50  -7.691   8.263  15.834
  376   2HE2  GLN  50          2HE2      GLN  50  -8.182   7.570  17.336
  377    HA   PRO  51           HA       PRO  51  -5.617  12.865  13.347
  378   1HB   PRO  51          2HB       PRO  51  -3.377  14.333  14.150
  379   2HB   PRO  51          1HB       PRO  51  -4.852  14.099  15.092
  380   1HG   PRO  51          2HG       PRO  51  -2.303  13.117  15.751
  381   2HG   PRO  51          1HG       PRO  51  -3.840  12.613  16.472
  382   1HD   PRO  51          2HD       PRO  51  -2.283  11.329  14.262
  383   2HD   PRO  51          1HD       PRO  51  -3.160  10.575  15.618
  384    H    ASP  52           H        ASP  52  -5.160  11.783  11.206
  385    HA   ASP  52           HA       ASP  52  -3.639  13.448   9.548
  386   1HB   ASP  52          2HB       ASP  52  -2.267  10.970  10.454
  387   2HB   ASP  52          1HB       ASP  52  -2.150  11.367   8.745
  388    H    TYR  53           H        TYR  53  -3.347  12.068   7.262
  389    HA   TYR  53           HA       TYR  53  -5.191  10.073   6.683
  390   1HB   TYR  53          2HB       TYR  53  -6.893  11.680   5.484
  391   2HB   TYR  53          1HB       TYR  53  -7.065  11.283   7.188
  392    HD1  TYR  53           1HD      TYR  53  -7.693  13.097   8.511
  393    HD2  TYR  53           2HD      TYR  53  -5.148  13.786   5.173
  394    HE1  TYR  53           1HE      TYR  53  -7.663  15.493   9.039
  395    HE2  TYR  53           2HE      TYR  53  -5.107  16.187   5.696
  396    HH   TYR  53           HH       TYR  53  -7.184  17.732   7.407
  397    H    LEU  54           H        LEU  54  -3.808   9.309   5.035
  398    HA   LEU  54           HA       LEU  54  -4.165  10.565   2.515
  399   1HB   LEU  54          2HB       LEU  54  -2.300  11.924   3.710
  400   2HB   LEU  54          1HB       LEU  54  -1.286  10.542   3.345
  401    HG   LEU  54           HG       LEU  54  -1.036  12.328   1.680
  402   1HD1  LEU  54          1HD1      LEU  54  -0.612  10.096   0.916
  403   2HD1  LEU  54          2HD1      LEU  54  -1.460  10.977  -0.355
  404   3HD1  LEU  54          3HD1      LEU  54  -2.331   9.815   0.645
  405   1HD2  LEU  54          1HD2      LEU  54  -3.957  12.188   1.700
  406   2HD2  LEU  54          2HD2      LEU  54  -3.243  12.268   0.091
  407   3HD2  LEU  54          3HD2      LEU  54  -2.885  13.521   1.277
  408    H    ASN  55           H        ASN  55  -4.947   8.409   2.171
  409    HA   ASN  55           HA       ASN  55  -2.731   6.513   1.701
  410   1HB   ASN  55          2HB       ASN  55  -5.469   5.973   2.811
  411   2HB   ASN  55          1HB       ASN  55  -4.565   4.709   1.987
  412   1HD2  ASN  55          1HD2      ASN  55  -2.496   6.853   3.538
  413   2HD2  ASN  55          2HD2      ASN  55  -2.222   5.943   4.975
  414    H    ALA  56           H        ALA  56  -3.038   4.998  -0.037
  415    HA   ALA  56           HA       ALA  56  -5.144   5.407  -1.938
  416   1HB   ALA  56          1HB       ALA  56  -3.080   7.190  -2.158
  417   2HB   ALA  56          2HB       ALA  56  -4.168   6.722  -3.463
  418   3HB   ALA  56          3HB       ALA  56  -2.606   5.923  -3.289
  419    H    ALA  57           H        ALA  57  -4.442   4.213  -4.090
  420    HA   ALA  57           HA       ALA  57  -3.103   1.717  -3.284
  421   1HB   ALA  57          1HB       ALA  57  -4.622   0.611  -4.965
  422   2HB   ALA  57          2HB       ALA  57  -5.540   2.117  -4.990
  423   3HB   ALA  57          3HB       ALA  57  -5.392   1.200  -3.491
  424    H    VAL  58           H        VAL  58  -1.865   0.646  -4.795
  425    HA   VAL  58           HA       VAL  58  -1.375   1.981  -7.341
  426    HB   VAL  58           HB       VAL  58   0.827   1.233  -5.412
  427   1HG1  VAL  58          1HG1      VAL  58   0.805   2.128  -8.266
  428   2HG1  VAL  58          2HG1      VAL  58   1.696   0.804  -7.519
  429   3HG1  VAL  58          3HG1      VAL  58   2.184   2.471  -7.222
  430   1HG2  VAL  58          1HG2      VAL  58  -0.694   3.529  -5.417
  431   2HG2  VAL  58          2HG2      VAL  58   0.720   3.981  -6.371
  432   3HG2  VAL  58          3HG2      VAL  58   0.923   3.360  -4.732
  433    H    ALA  59           H        ALA  59  -1.266   0.567  -8.927
  434    HA   ALA  59           HA       ALA  59  -0.656  -2.234  -8.280
  435   1HB   ALA  59          1HB       ALA  59  -2.233  -1.960 -10.682
  436   2HB   ALA  59          2HB       ALA  59  -3.058  -1.248  -9.296
  437   3HB   ALA  59          3HB       ALA  59  -2.538  -2.931  -9.243
  438    H    LEU  60           H        LEU  60   1.373  -2.400  -8.889
  439    HA   LEU  60           HA       LEU  60   2.129  -1.407 -11.548
  440   1HB   LEU  60          2HB       LEU  60   3.470  -0.310 -10.002
  441   2HB   LEU  60          1HB       LEU  60   3.628  -1.723  -8.982
  442    HG   LEU  60           HG       LEU  60   4.855  -1.760 -11.709
  443   1HD1  LEU  60          1HD1      LEU  60   5.597   0.350 -10.789
  444   2HD1  LEU  60          2HD1      LEU  60   6.915  -0.819 -10.737
  445   3HD1  LEU  60          3HD1      LEU  60   6.022  -0.430  -9.267
  446   1HD2  LEU  60          1HD2      LEU  60   5.908  -3.580 -10.938
  447   2HD2  LEU  60          2HD2      LEU  60   4.713  -3.561  -9.642
  448   3HD2  LEU  60          3HD2      LEU  60   6.291  -2.815  -9.395
  449    H    GLU  61           H        GLU  61   3.200  -2.693 -12.979
  450    HA   GLU  61           HA       GLU  61   2.988  -5.560 -12.506
  451   1HB   GLU  61          2HB       GLU  61   3.568  -5.727 -14.938
  452   2HB   GLU  61          1HB       GLU  61   2.098  -4.821 -14.611
  453   1HG   GLU  61          2HG       GLU  61   3.326  -2.727 -14.888
  454   2HG   GLU  61          1HG       GLU  61   4.797  -3.637 -15.224
  455    H    THR  62           H        THR  62   4.664  -6.240 -11.291
  456    HA   THR  62           HA       THR  62   7.351  -5.295 -11.937
  457    HB   THR  62           HB       THR  62   6.913  -5.095  -9.620
  458    HG1  THR  62           1HG      THR  62   8.189  -7.161  -8.880
  459   1HG2  THR  62          1HG2      THR  62   5.081  -7.084  -9.874
  460   2HG2  THR  62          2HG2      THR  62   5.654  -6.416  -8.346
  461   3HG2  THR  62          3HG2      THR  62   6.376  -7.891  -8.989
  462    H    SER  63           H        SER  63   9.042  -6.984 -11.443
  463    HA   SER  63           HA       SER  63   8.400  -9.605 -12.604
  464   1HB   SER  63          2HB       SER  63   9.420  -8.257 -14.412
  465   2HB   SER  63          1HB       SER  63  10.785  -7.880 -13.360
  466    HG   SER  63           HG       SER  63  11.027  -9.693 -14.907
  467    H    LEU  64           H        LEU  64  10.029  -7.489 -10.554
  468    HA   LEU  64           HA       LEU  64  11.696  -9.503  -9.295
  469   1HB   LEU  64          2HB       LEU  64  12.224  -7.418  -7.831
  470   2HB   LEU  64          1HB       LEU  64  12.891  -7.516  -9.450
  471    HG   LEU  64           HG       LEU  64  10.297  -6.090  -9.044
  472   1HD1  LEU  64          1HD1      LEU  64  12.887  -5.332  -7.893
  473   2HD1  LEU  64          2HD1      LEU  64  11.263  -4.754  -7.517
  474   3HD1  LEU  64          3HD1      LEU  64  12.138  -4.087  -8.894
  475   1HD2  LEU  64          1HD2      LEU  64  11.625  -4.634 -10.788
  476   2HD2  LEU  64          2HD2      LEU  64  10.810  -6.120 -11.276
  477   3HD2  LEU  64          3HD2      LEU  64  12.551  -6.120 -10.988
  478    H    ALA  65           H        ALA  65  10.268 -10.817  -8.205
  479    HA   ALA  65           HA       ALA  65   7.917 -10.396  -7.017
  480   1HB   ALA  65          1HB       ALA  65   8.584 -12.537  -6.655
  481   2HB   ALA  65          2HB       ALA  65   8.962 -11.887  -5.058
  482   3HB   ALA  65          3HB       ALA  65  10.239 -12.072  -6.261
  483    HA   PRO  66           HA       PRO  66   7.700  -7.066  -4.117
  484   1HB   PRO  66          2HB       PRO  66   6.951  -9.388  -2.355
  485   2HB   PRO  66          1HB       PRO  66   6.290  -7.743  -2.364
  486   1HG   PRO  66          2HG       PRO  66   5.034  -9.681  -3.664
  487   2HG   PRO  66          1HG       PRO  66   5.171  -8.059  -4.357
  488   1HD   PRO  66          2HD       PRO  66   6.488 -10.569  -5.192
  489   2HD   PRO  66          1HD       PRO  66   6.209  -9.082  -6.124
  490    H    GLU  67           H        GLU  67   9.379 -10.052  -3.219
  491    HA   GLU  67           HA       GLU  67  10.728  -9.261  -0.975
  492   1HB   GLU  67          2HB       GLU  67  12.003 -10.718  -3.301
  493   2HB   GLU  67          1HB       GLU  67  12.463 -10.824  -1.606
  494   1HG   GLU  67          2HG       GLU  67  10.415 -11.939  -1.056
  495   2HG   GLU  67          1HG       GLU  67   9.791 -11.691  -2.691
  496    H    GLU  68           H        GLU  68  11.816  -8.830  -4.335
  497    HA   GLU  68           HA       GLU  68  13.898  -6.975  -3.692
  498   1HB   GLU  68          2HB       GLU  68  12.598  -7.596  -6.352
  499   2HB   GLU  68          1HB       GLU  68  14.119  -6.748  -6.128
  500   1HG   GLU  68          2HG       GLU  68  13.582  -9.597  -5.334
  501   2HG   GLU  68          1HG       GLU  68  14.413  -9.087  -6.801
  502    H    LEU  69           H        LEU  69  10.778  -6.685  -5.383
  503    HA   LEU  69           HA       LEU  69  10.698  -4.013  -5.923
  504   1HB   LEU  69          2HB       LEU  69   8.878  -5.074  -6.758
  505   2HB   LEU  69          1HB       LEU  69   8.673  -6.082  -5.348
  506    HG   LEU  69           HG       LEU  69   7.784  -3.986  -4.168
  507   1HD1  LEU  69          1HD1      LEU  69   7.369  -3.002  -6.972
  508   2HD1  LEU  69          2HD1      LEU  69   8.730  -2.486  -5.973
  509   3HD1  LEU  69          3HD1      LEU  69   7.077  -2.157  -5.452
  510   1HD2  LEU  69          1HD2      LEU  69   5.887  -4.533  -6.351
  511   2HD2  LEU  69          2HD2      LEU  69   5.692  -4.707  -4.607
  512   3HD2  LEU  69          3HD2      LEU  69   6.513  -5.964  -5.534
  513    H    LEU  70           H        LEU  70   9.435  -5.477  -2.929
  514    HA   LEU  70           HA       LEU  70   8.749  -3.167  -1.588
  515   1HB   LEU  70          2HB       LEU  70   9.870  -5.717  -0.425
  516   2HB   LEU  70          1HB       LEU  70   9.091  -4.453   0.506
  517    HG   LEU  70           HG       LEU  70   7.772  -6.137  -1.625
  518   1HD1  LEU  70          1HD1      LEU  70   6.423  -6.630   0.649
  519   2HD1  LEU  70          2HD1      LEU  70   8.043  -6.375   1.299
  520   3HD1  LEU  70          3HD1      LEU  70   7.768  -7.616   0.074
  521   1HD2  LEU  70          1HD2      LEU  70   6.771  -3.879   0.084
  522   2HD2  LEU  70          2HD2      LEU  70   5.692  -5.068  -0.644
  523   3HD2  LEU  70          3HD2      LEU  70   6.696  -4.046  -1.670
  524    H    ASN  71           H        ASN  71  11.916  -4.784  -1.764
  525    HA   ASN  71           HA       ASN  71  13.287  -3.267   0.099
  526   1HB   ASN  71          2HB       ASN  71  14.206  -4.489  -2.495
  527   2HB   ASN  71          1HB       ASN  71  15.315  -3.621  -1.439
  528   1HD2  ASN  71          1HD2      ASN  71  14.553  -6.574  -2.278
  529   2HD2  ASN  71          2HD2      ASN  71  14.756  -7.421  -0.787
  530    H    HIS  72           H        HIS  72  12.755  -2.499  -3.346
  531    HA   HIS  72           HA       HIS  72  14.148  -0.040  -3.284
  532   1HB   HIS  72          2HB       HIS  72  12.065  -1.136  -5.168
  533   2HB   HIS  72          1HB       HIS  72  12.871   0.412  -5.421
  534    HD1  HIS  72           1HD      HIS  72  15.583   0.227  -5.606
  535    HD2  HIS  72           2HD      HIS  72  13.429  -3.288  -6.117
  536    HE1  HIS  72           1HE      HIS  72  17.169  -1.375  -6.718
  537    HE2  HIS  72           2HE      HIS  72  15.870  -3.524  -6.934
  538    H    THR  73           H        THR  73  10.660  -0.780  -3.032
  539    HA   THR  73           HA       THR  73   9.778   1.876  -2.890
  540    HB   THR  73           HB       THR  73   7.771   0.954  -1.773
  541    HG1  THR  73           1HG      THR  73   8.539  -0.621  -0.470
  542   1HG2  THR  73          1HG2      THR  73   8.822  -0.001  -4.288
  543   2HG2  THR  73          2HG2      THR  73   7.185   0.493  -3.857
  544   3HG2  THR  73          3HG2      THR  73   7.718  -1.158  -3.544
  545    H    GLN  74           H        GLN  74  10.413  -0.385  -0.233
  546    HA   GLN  74           HA       GLN  74  10.192   1.526   1.836
  547   1HB   GLN  74          2HB       GLN  74  11.633  -1.135   1.840
  548   2HB   GLN  74          1HB       GLN  74  11.165  -0.214   3.262
  549   1HG   GLN  74          2HG       GLN  74   9.258  -1.381   1.249
  550   2HG   GLN  74          1HG       GLN  74   9.662  -2.097   2.807
  551   1HE2  GLN  74          1HE2      GLN  74   7.433  -0.314   1.228
  552   2HE2  GLN  74          2HE2      GLN  74   6.719   0.524   2.559
  553    H    ARG  75           H        ARG  75  12.531   1.056  -0.513
  554    HA   ARG  75           HA       ARG  75  14.877   1.651   1.012
  555   1HB   ARG  75          2HB       ARG  75  14.871   0.512  -1.231
  556   2HB   ARG  75          1HB       ARG  75  14.434   2.052  -1.954
  557   1HG   ARG  75          2HG       ARG  75  16.527   3.018  -1.110
  558   2HG   ARG  75          1HG       ARG  75  16.966   1.441  -0.447
  559   1HD   ARG  75          2HD       ARG  75  16.780   0.503  -2.759
  560   2HD   ARG  75          1HD       ARG  75  16.544   2.149  -3.348
  561    HE   ARG  75           HE       ARG  75  19.012   0.945  -2.762
  562   1HH1  ARG  75          1HH1      ARG  75  17.328   3.965  -2.304
  563   2HH1  ARG  75          2HH1      ARG  75  18.779   4.909  -2.249
  564   1HH2  ARG  75          1HH2      ARG  75  20.921   2.183  -2.686
  565   2HH2  ARG  75          2HH2      ARG  75  20.820   3.898  -2.467
  566    H    ILE  76           H        ILE  76  12.541   3.480  -0.861
  567    HA   ILE  76           HA       ILE  76  13.911   5.970  -0.607
  568    HB   ILE  76           HB       ILE  76  10.978   5.643  -1.196
  569   1HG1  ILE  76          2HG1      ILE  76  12.222   4.127  -2.668
  570   2HG1  ILE  76          1HG1      ILE  76  11.595   5.498  -3.578
  571   1HG2  ILE  76          1HG2      ILE  76  13.011   7.724  -1.992
  572   2HG2  ILE  76          2HG2      ILE  76  11.741   7.913  -0.783
  573   3HG2  ILE  76          3HG2      ILE  76  11.317   7.705  -2.482
  574   1HD1  ILE  76          1HD1      ILE  76  13.678   5.489  -4.426
  575   2HD1  ILE  76          2HD1      ILE  76  14.374   4.715  -3.002
  576   3HD1  ILE  76          3HD1      ILE  76  14.025   6.444  -2.985
  577    H    GLU  77           H        GLU  77  10.861   4.740   0.855
  578    HA   GLU  77           HA       GLU  77  10.432   6.864   2.580
  579   1HB   GLU  77          2HB       GLU  77   9.113   5.357   3.969
  580   2HB   GLU  77          1HB       GLU  77   8.774   5.087   2.271
  581   1HG   GLU  77          2HG       GLU  77   8.875   2.963   3.174
  582   2HG   GLU  77          1HG       GLU  77  10.454   3.169   2.424
  583    H    LEU  78           H        LEU  78  12.785   4.340   2.773
  584    HA   LEU  78           HA       LEU  78  13.403   4.626   5.542
  585   1HB   LEU  78          2HB       LEU  78  13.985   2.604   4.296
  586   2HB   LEU  78          1HB       LEU  78  15.044   3.533   3.251
  587    HG   LEU  78           HG       LEU  78  16.484   4.037   5.205
  588   1HD1  LEU  78          1HD1      LEU  78  15.003   3.899   7.037
  589   2HD1  LEU  78          2HD1      LEU  78  16.138   2.562   7.225
  590   3HD1  LEU  78          3HD1      LEU  78  14.512   2.258   6.613
  591   1HD2  LEU  78          1HD2      LEU  78  15.994   1.340   4.120
  592   2HD2  LEU  78          2HD2      LEU  78  16.992   1.422   5.573
  593   3HD2  LEU  78          3HD2      LEU  78  17.463   2.315   4.126
  594    H    GLN  79           H        GLN  79  14.567   6.061   2.554
  595    HA   GLN  79           HA       GLN  79  16.291   7.866   4.126
  596   1HB   GLN  79          2HB       GLN  79  16.488   7.127   1.200
  597   2HB   GLN  79          1HB       GLN  79  17.591   8.180   2.074
  598   1HG   GLN  79          2HG       GLN  79  18.332   6.349   3.444
  599   2HG   GLN  79          1HG       GLN  79  17.136   5.278   2.719
  600   1HE2  GLN  79          1HE2      GLN  79  18.059   7.104   0.220
  601   2HE2  GLN  79          2HE2      GLN  79  19.375   6.166  -0.388
  602    H    GLN  80           H        GLN  80  13.306   7.974   3.210
  603    HA   GLN  80           HA       GLN  80  13.492  10.696   2.104
  604   1HB   GLN  80          2HB       GLN  80  12.672   9.059   0.413
  605   2HB   GLN  80          1HB       GLN  80  11.310   8.699   1.467
  606   1HG   GLN  80          2HG       GLN  80  10.625  10.239  -0.244
  607   2HG   GLN  80          1HG       GLN  80  10.601  11.050   1.321
  608   1HE2  GLN  80          1HE2      GLN  80  11.391  11.424  -1.816
  609   2HE2  GLN  80          2HE2      GLN  80  12.597  12.653  -1.682
  610    H    GLY  81           H        GLY  81  11.897   8.533   4.352
  611   1HA   GLY  81          2HA       GLY  81   9.740  10.184   5.068
  612   2HA   GLY  81          1HA       GLY  81  10.457   8.951   6.092
  613    H    ARG  82           H        ARG  82  13.005  10.766   5.477
  614    HA   ARG  82           HA       ARG  82  13.152  13.196   6.393
  615   1HB   ARG  82          2HB       ARG  82  11.580  12.670   8.257
  616   2HB   ARG  82          1HB       ARG  82  12.790  11.584   8.930
  617   1HG   ARG  82          2HG       ARG  82  12.861  13.679  10.100
  618   2HG   ARG  82          1HG       ARG  82  14.335  13.503   9.145
  619   1HD   ARG  82          2HD       ARG  82  13.338  14.920   7.393
  620   2HD   ARG  82          1HD       ARG  82  11.904  15.127   8.397
  621    HE   ARG  82           HE       ARG  82  13.023  16.776   9.484
  622   1HH1  ARG  82          1HH1      ARG  82  15.382  14.577   8.158
  623   2HH1  ARG  82          2HH1      ARG  82  16.739  15.498   8.713
  624   1HH2  ARG  82          1HH2      ARG  82  14.803  17.994  10.211
  625   2HH2  ARG  82          2HH2      ARG  82  16.411  17.441   9.879
  626    H    VAL  83           H        VAL  83  14.300  10.765   8.676
  627    HA   VAL  83           HA       VAL  83  17.031  11.213   7.667
  628    HB   VAL  83           HB       VAL  83  16.171  10.463  10.465
  629   1HG1  VAL  83          1HG1      VAL  83  18.680  11.170  10.821
  630   2HG1  VAL  83          2HG1      VAL  83  18.827  10.679   9.134
  631   3HG1  VAL  83          3HG1      VAL  83  18.258   9.527  10.341
  632   1HG2  VAL  83          1HG2      VAL  83  17.592  12.900  10.403
  633   2HG2  VAL  83          2HG2      VAL  83  15.899  12.638  10.821
  634   3HG2  VAL  83          3HG2      VAL  83  16.349  12.995   9.155
  635    H    ARG  84           H        ARG  84  14.889   8.774   9.139
  636    HA   ARG  84           HA       ARG  84  15.994   6.725   7.455
  637   1HB   ARG  84          2HB       ARG  84  16.833   5.288   9.241
  638   2HB   ARG  84          1HB       ARG  84  17.702   6.812   9.212
  639   1HG   ARG  84          2HG       ARG  84  16.289   7.614  11.068
  640   2HG   ARG  84          1HG       ARG  84  15.526   6.026  11.132
  641   1HD   ARG  84          2HD       ARG  84  17.208   6.087  12.821
  642   2HD   ARG  84          1HD       ARG  84  17.790   5.042  11.526
  643    HE   ARG  84           HE       ARG  84  18.900   7.572  12.365
  644   1HH1  ARG  84          1HH1      ARG  84  18.800   5.133   9.869
  645   2HH1  ARG  84          2HH1      ARG  84  20.257   5.678   9.108
  646   1HH2  ARG  84          1HH2      ARG  84  20.813   8.284  11.367
  647   2HH2  ARG  84          2HH2      ARG  84  21.399   7.464   9.959
  648    H    LYS  85           H        LYS  85  15.199   4.496   8.962
  649    HA   LYS  85           HA       LYS  85  12.479   4.336   8.368
  650   1HB   LYS  85          2HB       LYS  85  13.997   2.388   8.665
  651   2HB   LYS  85          1HB       LYS  85  14.002   2.687  10.398
  652   1HG   LYS  85          2HG       LYS  85  11.614   2.254  10.500
  653   2HG   LYS  85          1HG       LYS  85  11.574   2.004   8.754
  654   1HD   LYS  85          2HD       LYS  85  13.120   0.111   9.004
  655   2HD   LYS  85          1HD       LYS  85  13.118   0.353  10.752
  656   1HE   LYS  85          2HE       LYS  85  11.601  -1.447  10.095
  657   2HE   LYS  85          1HE       LYS  85  10.726  -0.101  10.824
  658   1HZ   LYS  85          1HZ       LYS  85  10.309  -1.266   8.327
  659   2HZ   LYS  85          2HZ       LYS  85  10.877   0.303   8.049
  660   3HZ   LYS  85          3HZ       LYS  85   9.502   0.059   9.002
  661    H    ALA  86           H        ALA  86  14.090   5.723  11.038
  662    HA   ALA  86           HA       ALA  86  11.694   5.711  12.714
  663   1HB   ALA  86          1HB       ALA  86  13.660   5.167  13.925
  664   2HB   ALA  86          2HB       ALA  86  13.225   6.812  14.386
  665   3HB   ALA  86          3HB       ALA  86  14.539   6.535  13.244
  666    H    GLU  87           H        GLU  87  11.766   7.198  10.233
  667    HA   GLU  87           HA       GLU  87  12.312   9.805  10.139
  668   1HB   GLU  87          2HB       GLU  87  10.241  10.172   8.865
  669   2HB   GLU  87          1HB       GLU  87  11.027   8.671   8.405
  670   1HG   GLU  87          2HG       GLU  87   8.700   8.867  10.301
  671   2HG   GLU  87          1HG       GLU  87   8.564   8.519   8.578
  672    H    ARG  88           H        ARG  88   9.560   8.491  11.948
  673    HA   ARG  88           HA       ARG  88   9.634  10.822  13.704
  674   1HB   ARG  88          2HB       ARG  88   7.156   9.931  12.220
  675   2HB   ARG  88          1HB       ARG  88   7.144  11.041  13.581
  676   1HG   ARG  88          2HG       ARG  88   8.554  11.515  10.963
  677   2HG   ARG  88          1HG       ARG  88   6.993  12.195  11.426
  678   1HD   ARG  88          2HD       ARG  88   8.127  13.255  13.385
  679   2HD   ARG  88          1HD       ARG  88   9.665  12.699  12.729
  680    HE   ARG  88           HE       ARG  88   8.287  15.010  11.960
  681   1HH1  ARG  88          1HH1      ARG  88   9.949  12.313  10.500
  682   2HH1  ARG  88          2HH1      ARG  88  10.411  13.202   9.088
  683   1HH2  ARG  88          1HH2      ARG  88   8.894  16.180  10.106
  684   2HH2  ARG  88          2HH2      ARG  88   9.816  15.397   8.865
  685    H    TRP  89           H        TRP  89   7.871  10.482  15.490
  686    HA   TRP  89           HA       TRP  89   8.173   7.714  16.432
  687   1HB   TRP  89          2HB       TRP  89   7.637  10.267  17.967
  688   2HB   TRP  89          1HB       TRP  89   7.698   8.665  18.691
  689    HD1  TRP  89           HD       TRP  89  10.163  10.465  16.268
  690    HE1  TRP  89           1HE      TRP  89  12.520  10.299  17.289
  691    HE3  TRP  89           3HE      TRP  89   9.002   8.001  20.594
  692    HZ2  TRP  89           2HZ      TRP  89  13.727   9.260  19.618
  693    HZ3  TRP  89           3HZ      TRP  89  10.817   7.457  22.164
  694    HH2  TRP  89           HH       TRP  89  13.130   8.073  21.684
  695    H    GLY  90           H        GLY  90   5.911   9.933  15.239
  696   1HA   GLY  90          2HA       GLY  90   3.636   8.666  16.567
  697   2HA   GLY  90          1HA       GLY  90   3.577  10.083  15.531
  698    HA   PRO  91           HA       PRO  91   1.882   7.077  12.668
  699   1HB   PRO  91          2HB       PRO  91   1.228   8.811  10.703
  700   2HB   PRO  91          1HB       PRO  91   0.278   8.665  12.191
  701   1HG   PRO  91          2HG       PRO  91   2.360  10.694  11.460
  702   2HG   PRO  91          1HG       PRO  91   0.785  10.938  12.238
  703   1HD   PRO  91          2HD       PRO  91   3.119  10.864  13.626
  704   2HD   PRO  91          1HD       PRO  91   1.573  10.321  14.311
  705    H    ARG  92           H        ARG  92   2.529   6.077  10.760
  706    HA   ARG  92           HA       ARG  92   5.257   6.185  10.125
  707   1HB   ARG  92          2HB       ARG  92   3.036   5.056   8.414
  708   2HB   ARG  92          1HB       ARG  92   4.740   4.629   8.336
  709   1HG   ARG  92          2HG       ARG  92   2.878   4.103  10.644
  710   2HG   ARG  92          1HG       ARG  92   3.477   2.913   9.486
  711   1HD   ARG  92          2HD       ARG  92   5.746   3.257  10.257
  712   2HD   ARG  92          1HD       ARG  92   5.211   4.539  11.344
  713    HE   ARG  92           HE       ARG  92   3.814   2.173  11.941
  714   1HH1  ARG  92          1HH1      ARG  92   7.010   3.540  12.169
  715   2HH1  ARG  92          2HH1      ARG  92   7.453   2.602  13.556
  716   1HH2  ARG  92          1HH2      ARG  92   4.387   0.934  13.768
  717   2HH2  ARG  92          2HH2      ARG  92   5.963   1.120  14.464
  718    H    THR  93           H        THR  93   5.791   6.274   7.549
  719    HA   THR  93           HA       THR  93   4.832   8.902   6.652
  720    HB   THR  93           HB       THR  93   7.132   9.051   7.394
  721    HG1  THR  93           1HG      THR  93   7.075   8.921   4.567
  722   1HG2  THR  93          1HG2      THR  93   7.567   6.652   5.665
  723   2HG2  THR  93          2HG2      THR  93   8.048   6.921   7.339
  724   3HG2  THR  93          3HG2      THR  93   8.879   7.769   6.036
  725    H    LEU  94           H        LEU  94   6.024   5.721   5.683
  726    HA   LEU  94           HA       LEU  94   4.296   5.753   3.367
  727   1HB   LEU  94          2HB       LEU  94   6.340   6.978   2.673
  728   2HB   LEU  94          1HB       LEU  94   7.287   5.559   3.059
  729    HG   LEU  94           HG       LEU  94   6.065   4.308   1.307
  730   1HD1  LEU  94          1HD1      LEU  94   4.263   5.107   0.293
  731   2HD1  LEU  94          2HD1      LEU  94   5.088   6.610  -0.117
  732   3HD1  LEU  94          3HD1      LEU  94   4.285   6.443   1.443
  733   1HD2  LEU  94          1HD2      LEU  94   7.088   6.611  -0.176
  734   2HD2  LEU  94          2HD2      LEU  94   7.612   4.928  -0.188
  735   3HD2  LEU  94          3HD2      LEU  94   8.165   6.015   1.086
  736    H    ASP  95           H        ASP  95   3.511   3.753   3.088
  737    HA   ASP  95           HA       ASP  95   5.136   1.461   3.971
  738   1HB   ASP  95          2HB       ASP  95   3.363   1.950   5.628
  739   2HB   ASP  95          1HB       ASP  95   2.150   1.776   4.363
  740    H    LEU  96           H        LEU  96   5.394  -0.069   2.490
  741    HA   LEU  96           HA       LEU  96   3.482  -0.226   0.253
  742   1HB   LEU  96          2HB       LEU  96   6.489  -0.451   0.117
  743   2HB   LEU  96          1HB       LEU  96   5.411  -0.845  -1.205
  744    HG   LEU  96           HG       LEU  96   6.345   1.311  -1.610
  745   1HD1  LEU  96          1HD1      LEU  96   3.991   1.007  -2.209
  746   2HD1  LEU  96          2HD1      LEU  96   4.351   2.682  -1.791
  747   3HD1  LEU  96          3HD1      LEU  96   3.512   1.646  -0.636
  748   1HD2  LEU  96          1HD2      LEU  96   6.457   1.586   1.104
  749   2HD2  LEU  96          2HD2      LEU  96   5.176   2.715   0.662
  750   3HD2  LEU  96          3HD2      LEU  96   6.774   2.864  -0.069
  751    H    ASP  97           H        ASP  97   2.478  -2.124   0.336
  752    HA   ASP  97           HA       ASP  97   4.054  -4.555   0.586
  753   1HB   ASP  97          2HB       ASP  97   3.342  -3.967   2.919
  754   2HB   ASP  97          1HB       ASP  97   1.666  -4.088   2.392
  755    H    ILE  98           H        ILE  98   3.372  -6.056  -0.744
  756    HA   ILE  98           HA       ILE  98   1.254  -5.527  -2.551
  757    HB   ILE  98           HB       ILE  98   1.750  -7.948  -3.288
  758   1HG1  ILE  98          2HG1      ILE  98   4.176  -8.517  -2.513
  759   2HG1  ILE  98          1HG1      ILE  98   3.784  -7.515  -1.124
  760   1HG2  ILE  98          1HG2      ILE  98   3.943  -7.207  -4.296
  761   2HG2  ILE  98          2HG2      ILE  98   3.763  -5.718  -3.369
  762   3HG2  ILE  98          3HG2      ILE  98   2.560  -6.152  -4.583
  763   1HD1  ILE  98          1HD1      ILE  98   2.567  -9.120  -0.197
  764   2HD1  ILE  98          2HD1      ILE  98   3.313 -10.199  -1.375
  765   3HD1  ILE  98          3HD1      ILE  98   1.735  -9.485  -1.708
  766    H    MET  99           H        MET  99  -0.759  -6.318  -2.713
  767    HA   MET  99           HA       MET  99  -1.717  -8.058  -0.548
  768   1HB   MET  99          2HB       MET  99  -2.620  -5.568  -1.059
  769   2HB   MET  99          1HB       MET  99  -3.637  -6.467  -2.174
  770   1HG   MET  99          2HG       MET  99  -3.425  -6.914   0.794
  771   2HG   MET  99          1HG       MET  99  -4.751  -6.123  -0.051
  772   1HE   MET  99          1HE       MET  99  -5.449  -8.587  -2.622
  773   2HE   MET  99          2HE       MET  99  -5.973  -7.084  -1.863
  774   3HE   MET  99          3HE       MET  99  -6.850  -8.583  -1.550
  775    H    LEU 100           H        LEU 100  -0.728  -8.004  -3.632
  776    HA   LEU 100           HA       LEU 100  -1.862 -10.517  -4.289
  777   1HB   LEU 100          2HB       LEU 100  -3.861  -9.258  -4.712
  778   2HB   LEU 100          1HB       LEU 100  -2.979  -8.065  -5.642
  779    HG   LEU 100           HG       LEU 100  -2.710  -9.544  -7.468
  780   1HD1  LEU 100          1HD1      LEU 100  -3.862 -11.896  -7.155
  781   2HD1  LEU 100          2HD1      LEU 100  -3.413 -11.626  -5.472
  782   3HD1  LEU 100          3HD1      LEU 100  -2.173 -11.634  -6.725
  783   1HD2  LEU 100          1HD2      LEU 100  -5.387 -10.490  -7.068
  784   2HD2  LEU 100          2HD2      LEU 100  -4.809  -9.201  -8.126
  785   3HD2  LEU 100          3HD2      LEU 100  -5.234  -8.844  -6.452
  786    H    PHE 101           H        PHE 101  -0.711 -11.508  -5.963
  787    HA   PHE 101           HA       PHE 101   1.207  -9.789  -7.401
  788   1HB   PHE 101          2HB       PHE 101   2.378 -10.901  -5.552
  789   2HB   PHE 101          1HB       PHE 101   1.837 -12.467  -6.144
  790    HD1  PHE 101           1HD      PHE 101   3.583 -13.664  -7.002
  791    HD2  PHE 101           2HD      PHE 101   3.387  -9.485  -7.779
  792    HE1  PHE 101           1HE      PHE 101   5.600 -13.834  -8.400
  793    HE2  PHE 101           2HE      PHE 101   5.403  -9.647  -9.180
  794    HZ   PHE 101           HZ       PHE 101   6.513 -11.824  -9.493
  795    H    GLY 102           H        GLY 102  -0.035  -9.875  -9.270
  796   1HA   GLY 102          2HA       GLY 102  -0.365 -10.681 -11.406
  797   2HA   GLY 102          1HA       GLY 102   0.427 -12.173 -10.924
  798    H    ASN 103           H        ASN 103  -1.407 -12.443  -8.621
  799    HA   ASN 103           HA       ASN 103  -3.663 -12.933  -8.152
  800   1HB   ASN 103          2HB       ASN 103  -4.452 -12.033 -10.364
  801   2HB   ASN 103          1HB       ASN 103  -4.000 -13.568 -11.095
  802   1HD2  ASN 103          1HD2      ASN 103  -6.171 -11.961  -8.906
  803   2HD2  ASN 103          2HD2      ASN 103  -7.373 -13.198  -8.876
  804    H    GLU 104           H        GLU 104  -1.353 -14.180  -7.851
  805    HA   GLU 104           HA       GLU 104  -1.900 -17.006  -8.459
  806   1HB   GLU 104          2HB       GLU 104   0.125 -16.003  -9.514
  807   2HB   GLU 104          1HB       GLU 104   0.716 -15.588  -7.914
  808   1HG   GLU 104          2HG       GLU 104   1.826 -17.549  -8.672
  809   2HG   GLU 104          1HG       GLU 104   0.765 -17.955  -7.327
  810    H    VAL 105           H        VAL 105  -1.219 -18.516  -6.716
  811    HA   VAL 105           HA       VAL 105  -1.586 -17.255  -4.082
  812    HB   VAL 105           HB       VAL 105  -1.782 -20.193  -4.798
  813   1HG1  VAL 105          1HG1      VAL 105  -2.954 -19.042  -2.324
  814   2HG1  VAL 105          2HG1      VAL 105  -1.207 -19.281  -2.379
  815   3HG1  VAL 105          3HG1      VAL 105  -2.292 -20.649  -2.621
  816   1HG2  VAL 105          1HG2      VAL 105  -3.861 -18.040  -4.545
  817   2HG2  VAL 105          2HG2      VAL 105  -4.261 -19.741  -4.299
  818   3HG2  VAL 105          3HG2      VAL 105  -3.623 -19.201  -5.852
  819    H    ILE 106           H        ILE 106   0.511 -16.503  -3.931
  820    HA   ILE 106           HA       ILE 106   2.523 -18.566  -3.376
  821    HB   ILE 106           HB       ILE 106   3.118 -17.706  -5.488
  822   1HG1  ILE 106          2HG1      ILE 106   4.726 -16.215  -3.403
  823   2HG1  ILE 106          1HG1      ILE 106   5.037 -17.845  -4.001
  824   1HG2  ILE 106          1HG2      ILE 106   2.518 -14.992  -4.344
  825   2HG2  ILE 106          2HG2      ILE 106   1.705 -15.820  -5.672
  826   3HG2  ILE 106          3HG2      ILE 106   3.357 -15.235  -5.875
  827   1HD1  ILE 106          1HD1      ILE 106   6.167 -15.539  -4.956
  828   2HD1  ILE 106          2HD1      ILE 106   4.878 -15.862  -6.123
  829   3HD1  ILE 106          3HD1      ILE 106   6.108 -17.088  -5.800
  830    H    ASN 107           H        ASN 107   2.843 -18.511  -1.274
  831    HA   ASN 107           HA       ASN 107   3.174 -15.882   0.020
  832   1HB   ASN 107          2HB       ASN 107   2.327 -18.358   1.499
  833   2HB   ASN 107          1HB       ASN 107   2.131 -16.671   1.968
  834   1HD2  ASN 107          1HD2      ASN 107   0.317 -15.634   1.428
  835   2HD2  ASN 107          2HD2      ASN 107  -0.959 -16.306   0.487
  836    H    THR 108           H        THR 108   4.956 -15.556   1.246
  837    HA   THR 108           HA       THR 108   6.634 -17.791   2.025
  838    HB   THR 108           HB       THR 108   7.525 -17.408  -0.153
  839    HG1  THR 108           1HG      THR 108   9.550 -17.195   0.443
  840   1HG2  THR 108          1HG2      THR 108   6.895 -14.655   0.325
  841   2HG2  THR 108          2HG2      THR 108   7.306 -15.470  -1.184
  842   3HG2  THR 108          3HG2      THR 108   8.584 -14.829  -0.153
  843    H    GLU 109           H        GLU 109   6.688 -14.229   1.753
  844    HA   GLU 109           HA       GLU 109   6.540 -13.734   4.499
  845   1HB   GLU 109          2HB       GLU 109   8.776 -14.780   4.564
  846   2HB   GLU 109          1HB       GLU 109   9.358 -13.598   3.400
  847   1HG   GLU 109          2HG       GLU 109  10.043 -13.023   5.655
  848   2HG   GLU 109          1HG       GLU 109   8.955 -11.805   4.995
  849    H    ARG 110           H        ARG 110   8.521 -12.439   1.823
  850    HA   ARG 110           HA       ARG 110   7.388  -9.794   2.304
  851   1HB   ARG 110          2HB       ARG 110   9.545 -10.700   0.381
  852   2HB   ARG 110          1HB       ARG 110   9.013  -9.038   0.577
  853   1HG   ARG 110          2HG       ARG 110  11.008  -9.237   1.800
  854   2HG   ARG 110          1HG       ARG 110   9.708  -9.225   2.993
  855   1HD   ARG 110          2HD       ARG 110  11.347 -10.922   3.554
  856   2HD   ARG 110          1HD       ARG 110   9.814 -11.673   3.114
  857    HE   ARG 110           HE       ARG 110  11.411 -11.539   0.825
  858   1HH1  ARG 110          1HH1      ARG 110  11.343 -13.151   3.916
  859   2HH1  ARG 110          2HH1      ARG 110  12.202 -14.545   3.352
  860   1HH2  ARG 110          1HH2      ARG 110  12.545 -13.371   0.077
  861   2HH2  ARG 110          2HH2      ARG 110  12.885 -14.670   1.172
  862    H    LEU 111           H        LEU 111   6.909 -12.522   0.380
  863    HA   LEU 111           HA       LEU 111   5.253 -10.959  -1.472
  864   1HB   LEU 111          2HB       LEU 111   7.107 -11.797  -2.708
  865   2HB   LEU 111          1HB       LEU 111   6.922 -13.399  -2.024
  866    HG   LEU 111           HG       LEU 111   5.024 -13.869  -3.343
  867   1HD1  LEU 111          1HD1      LEU 111   3.502 -12.257  -3.573
  868   2HD1  LEU 111          2HD1      LEU 111   4.472 -11.672  -4.927
  869   3HD1  LEU 111          3HD1      LEU 111   4.704 -10.991  -3.315
  870   1HD2  LEU 111          1HD2      LEU 111   7.363 -13.540  -4.487
  871   2HD2  LEU 111          2HD2      LEU 111   6.529 -12.221  -5.312
  872   3HD2  LEU 111          3HD2      LEU 111   5.923 -13.870  -5.451
  873    H    THR 112           H        THR 112   3.488 -11.218  -0.075
  874    HA   THR 112           HA       THR 112   2.293 -13.908  -0.125
  875    HB   THR 112           HB       THR 112   2.690 -13.294   2.164
  876    HG1  THR 112           1HG      THR 112   0.298 -12.790   2.718
  877   1HG2  THR 112          1HG2      THR 112   1.117 -10.769   1.759
  878   2HG2  THR 112          2HG2      THR 112   2.880 -10.835   1.796
  879   3HG2  THR 112          3HG2      THR 112   1.948 -11.307   3.218
  880    H    VAL 113           H        VAL 113   0.897 -13.926  -1.795
  881    HA   VAL 113           HA       VAL 113  -0.287 -11.624  -2.899
  882    HB   VAL 113           HB       VAL 113  -0.836 -14.558  -3.237
  883   1HG1  VAL 113          1HG1      VAL 113  -2.265 -13.624  -5.238
  884   2HG1  VAL 113          2HG1      VAL 113  -2.479 -12.251  -4.152
  885   3HG1  VAL 113          3HG1      VAL 113  -2.980 -13.865  -3.645
  886   1HG2  VAL 113          1HG2      VAL 113  -0.187 -13.781  -5.634
  887   2HG2  VAL 113          2HG2      VAL 113   1.065 -14.002  -4.412
  888   3HG2  VAL 113          3HG2      VAL 113   0.482 -12.382  -4.796
  889    HA   PRO 114           HA       PRO 114  -4.441 -13.064  -0.755
  890   1HB   PRO 114          2HB       PRO 114  -3.172 -14.662   1.432
  891   2HB   PRO 114          1HB       PRO 114  -4.714 -14.905   0.617
  892   1HG   PRO 114          2HG       PRO 114  -2.685 -16.472   0.017
  893   2HG   PRO 114          1HG       PRO 114  -3.724 -15.834  -1.280
  894   1HD   PRO 114          2HD       PRO 114  -1.005 -14.922  -0.407
  895   2HD   PRO 114          1HD       PRO 114  -1.656 -15.118  -2.049
  896    H    HIS 115           H        HIS 115  -1.380 -12.334   0.603
  897    HA   HIS 115           HA       HIS 115  -0.604 -10.777   2.040
  898   1HB   HIS 115          2HB       HIS 115  -1.992  -9.255   0.671
  899   2HB   HIS 115          1HB       HIS 115  -3.337  -9.521   1.768
  900    HD1  HIS 115           1HD      HIS 115   0.310  -8.523   2.264
  901    HD2  HIS 115           2HD      HIS 115  -3.512  -7.437   3.462
  902    HE1  HIS 115           1HE      HIS 115   0.623  -6.588   3.840
  903    HE2  HIS 115           2HE      HIS 115  -1.699  -6.019   4.634
  904    H    TYR 116           H        TYR 116  -0.462 -10.316   4.194
  905    HA   TYR 116           HA       TYR 116  -2.332 -11.819   5.872
  906   1HB   TYR 116          2HB       TYR 116   0.051 -12.386   6.100
  907   2HB   TYR 116          1HB       TYR 116   0.416 -10.715   6.506
  908    HD1  TYR 116           1HD      TYR 116   1.203 -10.798   8.709
  909    HD2  TYR 116           2HD      TYR 116  -2.371 -12.874   7.698
  910    HE1  TYR 116           1HE      TYR 116   0.827 -11.297  11.087
  911    HE2  TYR 116           2HE      TYR 116  -2.757 -13.379  10.072
  912    HH   TYR 116           HH       TYR 116  -2.133 -12.542  12.261
  913    H    ASP 117           H        ASP 117  -3.995 -10.522   6.261
  914    HA   ASP 117           HA       ASP 117  -5.088  -9.075   7.693
  915   1HB   ASP 117          2HB       ASP 117  -2.509  -7.511   7.811
  916   2HB   ASP 117          1HB       ASP 117  -3.984  -7.103   8.680
  917    H    MET 118           H        MET 118  -5.152  -9.056   4.827
  918    HA   MET 118           HA       MET 118  -5.081  -6.328   3.936
  919   1HB   MET 118          2HB       MET 118  -6.798  -7.516   2.162
  920   2HB   MET 118          1HB       MET 118  -5.037  -7.525   1.980
  921   1HG   MET 118          2HG       MET 118  -5.805  -9.737   1.654
  922   2HG   MET 118          1HG       MET 118  -5.035  -9.702   3.234
  923   1HE   MET 118          1HE       MET 118  -7.923 -12.264   2.760
  924   2HE   MET 118          2HE       MET 118  -6.942 -12.225   4.226
  925   3HE   MET 118          3HE       MET 118  -6.190 -11.955   2.653
  926    H    LYS 119           H        LYS 119  -7.551  -8.553   5.072
  927    HA   LYS 119           HA       LYS 119  -9.803  -6.911   4.769
  928   1HB   LYS 119          2HB       LYS 119 -10.759  -8.320   6.613
  929   2HB   LYS 119          1HB       LYS 119 -10.074  -9.244   5.286
  930   1HG   LYS 119          2HG       LYS 119  -8.063  -9.663   6.577
  931   2HG   LYS 119          1HG       LYS 119  -8.693  -8.684   7.901
  932   1HD   LYS 119          2HD       LYS 119  -8.991 -11.072   8.339
  933   2HD   LYS 119          1HD       LYS 119 -10.545 -10.251   8.189
  934   1HE   LYS 119          2HE       LYS 119 -10.555 -12.394   7.018
  935   2HE   LYS 119          1HE       LYS 119 -10.756 -11.052   5.895
  936   1HZ   LYS 119          1HZ       LYS 119  -9.215 -12.579   4.959
  937   2HZ   LYS 119          2HZ       LYS 119  -8.289 -12.627   6.375
  938   3HZ   LYS 119          3HZ       LYS 119  -8.335 -11.216   5.443
  939    H    ASN 120           H        ASN 120  -7.102  -6.725   6.766
  940    HA   ASN 120           HA       ASN 120  -8.392  -4.996   8.746
  941   1HB   ASN 120          2HB       ASN 120  -5.668  -6.288   8.600
  942   2HB   ASN 120          1HB       ASN 120  -6.109  -5.127   9.841
  943   1HD2  ASN 120          1HD2      ASN 120  -5.796  -8.295   9.237
  944   2HD2  ASN 120          2HD2      ASN 120  -6.933  -8.941  10.366
  945    H    ARG 121           H        ARG 121  -7.796  -4.267   5.878
  946    HA   ARG 121           HA       ARG 121  -6.532  -1.722   6.487
  947   1HB   ARG 121          2HB       ARG 121  -5.486  -3.537   4.314
  948   2HB   ARG 121          1HB       ARG 121  -4.997  -1.869   4.562
  949   1HG   ARG 121          2HG       ARG 121  -4.150  -2.505   6.802
  950   2HG   ARG 121          1HG       ARG 121  -4.532  -4.187   6.420
  951   1HD   ARG 121          2HD       ARG 121  -3.074  -3.961   4.398
  952   2HD   ARG 121          1HD       ARG 121  -2.583  -2.382   5.003
  953    HE   ARG 121           HE       ARG 121  -2.166  -4.257   7.033
  954   1HH1  ARG 121          1HH1      ARG 121  -0.930  -3.462   3.873
  955   2HH1  ARG 121          2HH1      ARG 121   0.655  -4.082   4.196
  956   1HH2  ARG 121          1HH2      ARG 121  -0.084  -5.076   7.466
  957   2HH2  ARG 121          2HH2      ARG 121   1.135  -4.999   6.238
  958    H    GLY 122           H        GLY 122  -9.046  -1.544   6.060
  959   1HA   GLY 122          2HA       GLY 122 -10.012  -1.637   3.389
  960   2HA   GLY 122          1HA       GLY 122 -10.662  -0.620   4.690
  961    H    PHE 123           H        PHE 123  -7.752   0.341   4.942
  962    HA   PHE 123           HA       PHE 123  -8.056   2.555   3.093
  963   1HB   PHE 123          2HB       PHE 123  -6.055   3.466   4.369
  964   2HB   PHE 123          1HB       PHE 123  -7.535   3.260   5.295
  965    HD1  PHE 123           1HD      PHE 123  -4.434   1.357   4.439
  966    HD2  PHE 123           2HD      PHE 123  -7.385   2.292   7.358
  967    HE1  PHE 123           1HE      PHE 123  -3.213   0.012   6.098
  968    HE2  PHE 123           2HE      PHE 123  -6.170   0.948   9.022
  969    HZ   PHE 123           HZ       PHE 123  -4.081  -0.192   8.394
  970    H    MET 124           H        MET 124  -7.338  -0.185   2.266
  971    HA   MET 124           HA       MET 124  -5.082   0.530   0.577
  972   1HB   MET 124          2HB       MET 124  -5.107  -1.972   2.279
  973   2HB   MET 124          1HB       MET 124  -3.943  -1.627   1.010
  974   1HG   MET 124          2HG       MET 124  -4.325  -0.011   3.516
  975   2HG   MET 124          1HG       MET 124  -3.048  -1.193   3.240
  976   1HE   MET 124          1HE       MET 124  -0.746   1.308   3.320
  977   2HE   MET 124          2HE       MET 124  -2.133   0.905   4.332
  978   3HE   MET 124          3HE       MET 124  -2.027   2.493   3.573
  979    H    LEU 125           H        LEU 125  -7.643  -1.738   1.431
  980    HA   LEU 125           HA       LEU 125  -7.576  -3.047  -1.117
  981   1HB   LEU 125          2HB       LEU 125  -9.414  -3.291   1.241
  982   2HB   LEU 125          1HB       LEU 125  -9.521  -4.288  -0.195
  983    HG   LEU 125           HG       LEU 125  -7.217  -4.189   1.751
  984   1HD1  LEU 125          1HD1      LEU 125  -9.331  -5.389   2.423
  985   2HD1  LEU 125          2HD1      LEU 125  -7.860  -6.360   2.409
  986   3HD1  LEU 125          3HD1      LEU 125  -9.020  -6.498   1.088
  987   1HD2  LEU 125          1HD2      LEU 125  -7.546  -5.897  -0.711
  988   2HD2  LEU 125          2HD2      LEU 125  -6.194  -5.924   0.422
  989   3HD2  LEU 125          3HD2      LEU 125  -6.475  -4.502  -0.583
  990    H    TRP 126           H        TRP 126  -9.622  -0.703   0.510
  991    HA   TRP 126           HA       TRP 126 -11.688  -0.640  -1.398
  992   1HB   TRP 126          2HB       TRP 126 -12.271   0.358   0.615
  993   2HB   TRP 126          1HB       TRP 126 -10.745   1.220   0.750
  994    HD1  TRP 126           HD       TRP 126 -11.341   3.670   0.809
  995    HE1  TRP 126           1HE      TRP 126 -12.786   5.267  -0.606
  996    HE3  TRP 126           3HE      TRP 126 -13.484   0.256  -2.330
  997    HZ2  TRP 126           2HZ      TRP 126 -14.598   5.096  -2.765
  998    HZ3  TRP 126           3HZ      TRP 126 -15.065   1.051  -4.038
  999    HH2  TRP 126           HH       TRP 126 -15.611   3.421  -4.250
 1000    HA   PRO 127           HA       PRO 127  -9.140   3.141  -3.297
 1001   1HB   PRO 127          2HB       PRO 127  -6.430   2.674  -3.083
 1002   2HB   PRO 127          1HB       PRO 127  -7.334   3.776  -2.037
 1003   1HG   PRO 127          2HG       PRO 127  -6.562   0.919  -1.554
 1004   2HG   PRO 127          1HG       PRO 127  -6.442   2.306  -0.454
 1005   1HD   PRO 127          2HD       PRO 127  -8.455   0.605  -0.182
 1006   2HD   PRO 127          1HD       PRO 127  -8.758   2.348  -0.075
 1007    H    LEU 128           H        LEU 128  -7.313   0.088  -3.072
 1008    HA   LEU 128           HA       LEU 128  -6.704  -0.072  -5.832
 1009   1HB   LEU 128          2HB       LEU 128  -5.532  -1.294  -3.984
 1010   2HB   LEU 128          1HB       LEU 128  -6.940  -2.317  -3.821
 1011    HG   LEU 128           HG       LEU 128  -6.610  -3.231  -6.057
 1012   1HD1  LEU 128          1HD1      LEU 128  -4.354  -1.236  -6.170
 1013   2HD1  LEU 128          2HD1      LEU 128  -5.713  -1.417  -7.281
 1014   3HD1  LEU 128          3HD1      LEU 128  -4.442  -2.640  -7.232
 1015   1HD2  LEU 128          1HD2      LEU 128  -5.312  -4.722  -5.053
 1016   2HD2  LEU 128          2HD2      LEU 128  -4.837  -3.526  -3.846
 1017   3HD2  LEU 128          3HD2      LEU 128  -3.910  -3.690  -5.338
 1018    H    PHE 129           H        PHE 129  -9.495  -0.788  -3.954
 1019    HA   PHE 129           HA       PHE 129 -10.725  -2.662  -5.692
 1020   1HB   PHE 129          2HB       PHE 129 -11.375  -2.191  -3.285
 1021   2HB   PHE 129          1HB       PHE 129 -12.130  -0.714  -3.857
 1022    HD1  PHE 129           1HD      PHE 129 -14.094  -0.830  -5.369
 1023    HD2  PHE 129           2HD      PHE 129 -12.416  -4.299  -3.545
 1024    HE1  PHE 129           1HE      PHE 129 -16.162  -2.077  -5.829
 1025    HE2  PHE 129           2HE      PHE 129 -14.480  -5.551  -4.021
 1026    HZ   PHE 129           HZ       PHE 129 -16.351  -4.445  -5.173
 1027    H    GLU 130           H        GLU 130 -10.434   0.797  -5.588
 1028    HA   GLU 130           HA       GLU 130 -12.427   1.321  -7.591
 1029   1HB   GLU 130          2HB       GLU 130 -11.779   3.047  -5.951
 1030   2HB   GLU 130          1HB       GLU 130 -10.142   3.044  -6.590
 1031   1HG   GLU 130          2HG       GLU 130 -11.383   4.946  -7.419
 1032   2HG   GLU 130          1HG       GLU 130 -10.976   3.849  -8.738
 1033    H    ILE 131           H        ILE 131  -8.923   0.979  -7.434
 1034    HA   ILE 131           HA       ILE 131  -8.217   1.566 -10.058
 1035    HB   ILE 131           HB       ILE 131  -7.035  -0.567  -8.270
 1036   1HG1  ILE 131          2HG1      ILE 131  -7.078   1.632  -7.180
 1037   2HG1  ILE 131          1HG1      ILE 131  -5.434   1.148  -7.577
 1038   1HG2  ILE 131          1HG2      ILE 131  -5.830  -1.059 -10.077
 1039   2HG2  ILE 131          2HG2      ILE 131  -5.005   0.475  -9.798
 1040   3HG2  ILE 131          3HG2      ILE 131  -6.356   0.392 -10.930
 1041   1HD1  ILE 131          1HD1      ILE 131  -5.796   3.502  -8.037
 1042   2HD1  ILE 131          2HD1      ILE 131  -7.120   3.098  -9.130
 1043   3HD1  ILE 131          3HD1      ILE 131  -5.469   2.615  -9.526
 1044    H    ALA 132           H        ALA 132  -9.094  -1.551  -8.600
 1045    HA   ALA 132           HA       ALA 132 -10.203  -2.467 -11.121
 1046   1HB   ALA 132          1HB       ALA 132  -8.320  -4.383  -9.858
 1047   2HB   ALA 132          2HB       ALA 132  -7.633  -3.060 -10.801
 1048   3HB   ALA 132          3HB       ALA 132  -8.768  -4.182 -11.553
 1049    HA   PRO 133           HA       PRO 133 -12.624  -3.962  -7.481
 1050   1HB   PRO 133          2HB       PRO 133 -15.047  -3.315  -8.447
 1051   2HB   PRO 133          1HB       PRO 133 -13.998  -2.106  -7.697
 1052   1HG   PRO 133          2HG       PRO 133 -14.496  -2.647 -10.597
 1053   2HG   PRO 133          1HG       PRO 133 -14.357  -1.093  -9.756
 1054   1HD   PRO 133          2HD       PRO 133 -12.323  -2.245 -11.194
 1055   2HD   PRO 133          1HD       PRO 133 -12.070  -1.111  -9.856
 1056    H    GLU 134           H        GLU 134 -11.513  -5.627  -9.501
 1057    HA   GLU 134           HA       GLU 134 -13.731  -7.491  -9.871
 1058   1HB   GLU 134          2HB       GLU 134 -12.915  -8.010 -12.175
 1059   2HB   GLU 134          1HB       GLU 134 -13.620  -6.410 -12.001
 1060   1HG   GLU 134          2HG       GLU 134 -11.687  -6.221 -13.370
 1061   2HG   GLU 134          1HG       GLU 134 -11.321  -5.483 -11.812
 1062    H    LEU 135           H        LEU 135 -10.483  -6.891  -9.050
 1063    HA   LEU 135           HA       LEU 135  -9.343  -9.391  -9.658
 1064   1HB   LEU 135          2HB       LEU 135  -7.614  -8.842  -8.068
 1065   2HB   LEU 135          1HB       LEU 135  -8.022  -7.420  -9.002
 1066    HG   LEU 135           HG       LEU 135  -9.609  -7.046  -6.844
 1067   1HD1  LEU 135          1HD1      LEU 135  -7.116  -8.016  -5.544
 1068   2HD1  LEU 135          2HD1      LEU 135  -8.375  -9.185  -5.942
 1069   3HD1  LEU 135          3HD1      LEU 135  -8.738  -7.824  -4.880
 1070   1HD2  LEU 135          1HD2      LEU 135  -7.386  -5.783  -6.015
 1071   2HD2  LEU 135          2HD2      LEU 135  -8.391  -5.210  -7.347
 1072   3HD2  LEU 135          3HD2      LEU 135  -6.930  -6.139  -7.681
 1073    H    VAL 136           H        VAL 136 -10.181 -11.259  -9.071
 1074    HA   VAL 136           HA       VAL 136 -10.985 -11.625  -6.271
 1075    HB   VAL 136           HB       VAL 136 -12.533 -12.583  -8.675
 1076   1HG1  VAL 136          1HG1      VAL 136 -13.498 -14.127  -7.392
 1077   2HG1  VAL 136          2HG1      VAL 136 -13.879 -12.924  -6.159
 1078   3HG1  VAL 136          3HG1      VAL 136 -12.319 -13.751  -6.132
 1079   1HG2  VAL 136          1HG2      VAL 136 -13.771 -10.756  -8.492
 1080   2HG2  VAL 136          2HG2      VAL 136 -12.655 -10.156  -7.265
 1081   3HG2  VAL 136          3HG2      VAL 136 -14.071 -11.091  -6.787
 1082    H    PHE 137           H        PHE 137  -9.393 -12.936  -5.602
 1083    HA   PHE 137           HA       PHE 137  -9.399 -15.637  -6.285
 1084   1HB   PHE 137          2HB       PHE 137  -8.370 -14.825  -8.386
 1085   2HB   PHE 137          1HB       PHE 137  -7.016 -14.207  -7.453
 1086    HD1  PHE 137           1HD      PHE 137  -5.141 -15.518  -7.351
 1087    HD2  PHE 137           2HD      PHE 137  -8.931 -17.389  -7.845
 1088    HE1  PHE 137           1HE      PHE 137  -4.035 -17.708  -7.511
 1089    HE2  PHE 137           2HE      PHE 137  -7.832 -19.584  -8.004
 1090    HZ   PHE 137           HZ       PHE 137  -5.379 -19.745  -7.837
 1091    HA   PRO 138           HA       PRO 138  -5.551 -14.648  -3.476
 1092   1HB   PRO 138          2HB       PRO 138  -5.524 -12.100  -2.471
 1093   2HB   PRO 138          1HB       PRO 138  -4.591 -12.609  -3.879
 1094   1HG   PRO 138          2HG       PRO 138  -7.236 -11.208  -3.769
 1095   2HG   PRO 138          1HG       PRO 138  -5.836 -10.876  -4.810
 1096   1HD   PRO 138          2HD       PRO 138  -7.949 -12.231  -5.733
 1097   2HD   PRO 138          1HD       PRO 138  -6.295 -12.673  -6.211
 1098    H    ASP 139           H        ASP 139  -7.343 -15.952  -2.559
 1099    HA   ASP 139           HA       ASP 139  -8.215 -16.581  -0.499
 1100   1HB   ASP 139          2HB       ASP 139  -7.224 -14.534   0.588
 1101   2HB   ASP 139          1HB       ASP 139  -8.677 -13.656   0.122
 1102    H    GLY 140           H        GLY 140  -9.365 -16.030  -3.125
 1103   1HA   GLY 140          2HA       GLY 140 -11.388 -15.961  -4.198
 1104   2HA   GLY 140          1HA       GLY 140 -11.982 -16.782  -2.762
 1105    H    GLU 141           H        GLU 141 -10.701 -13.520  -2.933
 1106    HA   GLU 141           HA       GLU 141 -13.306 -12.293  -2.983
 1107   1HB   GLU 141          2HB       GLU 141 -11.607 -11.905  -0.511
 1108   2HB   GLU 141          1HB       GLU 141 -13.148 -11.144  -0.854
 1109   1HG   GLU 141          2HG       GLU 141 -14.214 -13.371  -0.778
 1110   2HG   GLU 141          1HG       GLU 141 -12.667 -14.051  -0.282
 1111    H    MET 142           H        MET 142 -13.184 -10.099  -3.429
 1112    HA   MET 142           HA       MET 142 -10.795  -9.199  -4.660
 1113   1HB   MET 142          2HB       MET 142 -13.025  -7.414  -3.714
 1114   2HB   MET 142          1HB       MET 142 -11.875  -7.091  -4.993
 1115   1HG   MET 142          2HG       MET 142 -12.864  -8.695  -6.382
 1116   2HG   MET 142          1HG       MET 142 -13.912  -9.279  -5.103
 1117   1HE   MET 142          1HE       MET 142 -16.078  -7.539  -7.933
 1118   2HE   MET 142          2HE       MET 142 -16.361  -8.772  -6.707
 1119   3HE   MET 142          3HE       MET 142 -14.934  -8.867  -7.736
 1120    H    LEU 143           H        LEU 143 -10.957  -6.513  -3.616
 1121    HA   LEU 143           HA       LEU 143  -9.196  -6.837  -1.352
 1122   1HB   LEU 143          2HB       LEU 143 -10.145  -4.277  -2.596
 1123   2HB   LEU 143          1HB       LEU 143  -8.654  -4.576  -1.724
 1124    HG   LEU 143           HG       LEU 143  -9.170  -6.036  -4.258
 1125   1HD1  LEU 143          1HD1      LEU 143  -7.804  -4.045  -5.261
 1126   2HD1  LEU 143          2HD1      LEU 143  -8.578  -3.147  -3.955
 1127   3HD1  LEU 143          3HD1      LEU 143  -9.563  -3.981  -5.158
 1128   1HD2  LEU 143          1HD2      LEU 143  -6.843  -5.287  -2.576
 1129   2HD2  LEU 143          2HD2      LEU 143  -6.596  -5.451  -4.315
 1130   3HD2  LEU 143          3HD2      LEU 143  -7.215  -6.813  -3.380
 1131    H    ARG 144           H        ARG 144 -11.744  -4.544  -2.022
 1132    HA   ARG 144           HA       ARG 144 -12.271  -3.729   0.492
 1133   1HB   ARG 144          2HB       ARG 144 -13.008  -2.591  -1.509
 1134   2HB   ARG 144          1HB       ARG 144 -14.238  -3.830  -1.761
 1135   1HG   ARG 144          2HG       ARG 144 -15.281  -3.220   0.375
 1136   2HG   ARG 144          1HG       ARG 144 -14.070  -1.961   0.602
 1137   1HD   ARG 144          2HD       ARG 144 -16.096  -0.976  -0.260
 1138   2HD   ARG 144          1HD       ARG 144 -14.843  -0.902  -1.499
 1139    HE   ARG 144           HE       ARG 144 -16.293  -3.237  -1.920
 1140   1HH1  ARG 144          1HH1      ARG 144 -16.829   0.207  -1.977
 1141   2HH1  ARG 144          2HH1      ARG 144 -18.076   0.123  -3.176
 1142   1HH2  ARG 144          1HH2      ARG 144 -17.933  -3.357  -3.498
 1143   2HH2  ARG 144          2HH2      ARG 144 -18.704  -1.904  -4.041
 1144    H    GLN 145           H        GLN 145 -14.477  -6.160  -1.108
 1145    HA   GLN 145           HA       GLN 145 -16.162  -6.407   1.033
 1146   1HB   GLN 145          2HB       GLN 145 -16.604  -8.771   0.479
 1147   2HB   GLN 145          1HB       GLN 145 -16.609  -7.734  -0.944
 1148   1HG   GLN 145          2HG       GLN 145 -14.422  -9.587  -0.057
 1149   2HG   GLN 145          1HG       GLN 145 -15.462  -9.747  -1.483
 1150   1HE2  GLN 145          1HE2      GLN 145 -12.686  -8.408  -0.169
 1151   2HE2  GLN 145          2HE2      GLN 145 -12.246  -7.382  -1.467
 1152    H    ILE 146           H        ILE 146 -12.839  -7.722   0.897
 1153    HA   ILE 146           HA       ILE 146 -13.156  -9.205   3.327
 1154    HB   ILE 146           HB       ILE 146 -10.455  -8.150   2.852
 1155   1HG1  ILE 146          2HG1      ILE 146 -11.654 -10.053   0.830
 1156   2HG1  ILE 146          1HG1      ILE 146 -11.288  -8.358   0.510
 1157   1HG2  ILE 146          1HG2      ILE 146 -11.660 -10.301   4.123
 1158   2HG2  ILE 146          2HG2      ILE 146  -9.930 -10.042   3.901
 1159   3HG2  ILE 146          3HG2      ILE 146 -10.831 -11.017   2.741
 1160   1HD1  ILE 146          1HD1      ILE 146  -9.113 -10.074   1.566
 1161   2HD1  ILE 146          2HD1      ILE 146  -9.045  -8.707   0.452
 1162   3HD1  ILE 146          3HD1      ILE 146  -9.605 -10.280  -0.116
 1163    H    LEU 147           H        LEU 147 -12.113  -5.915   2.510
 1164    HA   LEU 147           HA       LEU 147 -11.454  -5.222   5.234
 1165   1HB   LEU 147          2HB       LEU 147 -10.830  -3.139   4.406
 1166   2HB   LEU 147          1HB       LEU 147 -10.522  -4.204   3.051
 1167    HG   LEU 147           HG       LEU 147 -12.902  -3.466   2.264
 1168   1HD1  LEU 147          1HD1      LEU 147 -13.925  -1.854   3.391
 1169   2HD1  LEU 147          2HD1      LEU 147 -12.510  -0.814   3.225
 1170   3HD1  LEU 147          3HD1      LEU 147 -12.641  -1.910   4.600
 1171   1HD2  LEU 147          1HD2      LEU 147 -11.071  -2.941   0.919
 1172   2HD2  LEU 147          2HD2      LEU 147 -10.395  -1.841   2.116
 1173   3HD2  LEU 147          3HD2      LEU 147 -11.855  -1.394   1.235
 1174    H    HIS 148           H        HIS 148 -14.031  -4.386   2.998
 1175    HA   HIS 148           HA       HIS 148 -15.636  -2.736   4.406
 1176   1HB   HIS 148          2HB       HIS 148 -16.033  -3.342   2.098
 1177   2HB   HIS 148          1HB       HIS 148 -16.367  -5.012   2.533
 1178    HD1  HIS 148           1HD      HIS 148 -18.607  -4.440   1.119
 1179    HD2  HIS 148           2HD      HIS 148 -18.260  -2.589   4.822
 1180    HE1  HIS 148           1HE      HIS 148 -20.919  -3.629   1.683
 1181    HE2  HIS 148           2HE      HIS 148 -20.671  -2.453   3.898
 1182    H    THR 149           H        THR 149 -15.106  -6.132   4.904
 1183    HA   THR 149           HA       THR 149 -17.267  -6.238   6.877
 1184    HB   THR 149           HB       THR 149 -17.225  -8.047   5.253
 1185    HG1  THR 149           1HG      THR 149 -16.292  -9.237   7.615
 1186   1HG2  THR 149          1HG2      THR 149 -15.470  -9.647   5.081
 1187   2HG2  THR 149          2HG2      THR 149 -14.552  -8.861   6.366
 1188   3HG2  THR 149          3HG2      THR 149 -14.775  -8.048   4.814
 1189    H    ARG 150           H        ARG 150 -13.748  -6.365   6.636
 1190    HA   ARG 150           HA       ARG 150 -13.669  -6.762   9.555
 1191   1HB   ARG 150          2HB       ARG 150 -11.508  -7.396   7.554
 1192   2HB   ARG 150          1HB       ARG 150 -11.455  -7.719   9.282
 1193   1HG   ARG 150          2HG       ARG 150 -13.359  -8.949   7.299
 1194   2HG   ARG 150          1HG       ARG 150 -11.970  -9.738   8.049
 1195   1HD   ARG 150          2HD       ARG 150 -14.370  -8.655   9.523
 1196   2HD   ARG 150          1HD       ARG 150 -14.105 -10.349   9.117
 1197    HE   ARG 150           HE       ARG 150 -13.019  -8.958  11.321
 1198   1HH1  ARG 150          1HH1      ARG 150 -12.203 -11.371   8.942
 1199   2HH1  ARG 150          2HH1      ARG 150 -10.991 -12.118   9.928
 1200   1HH2  ARG 150          1HH2      ARG 150 -11.425  -9.936  12.625
 1201   2HH2  ARG 150          2HH2      ARG 150 -10.550 -11.303  12.020
 1202    H    ALA 151           H        ALA 151 -13.796  -4.103   7.993
 1203    HA   ALA 151           HA       ALA 151 -11.778  -2.827   9.621
 1204   1HB   ALA 151          1HB       ALA 151 -10.290  -2.949   7.897
 1205   2HB   ALA 151          2HB       ALA 151 -11.145  -1.483   7.414
 1206   3HB   ALA 151          3HB       ALA 151 -11.551  -3.028   6.666
 1207    H    PHE 152           H        PHE 152 -12.950  -1.245   6.773
 1208    HA   PHE 152           HA       PHE 152 -14.900   0.175   8.451
 1209   1HB   PHE 152          2HB       PHE 152 -13.196   1.139   6.162
 1210   2HB   PHE 152          1HB       PHE 152 -14.577   2.027   6.771
 1211    HD1  PHE 152           1HD      PHE 152 -13.960   3.838   8.058
 1212    HD2  PHE 152           2HD      PHE 152 -11.711   0.234   8.335
 1213    HE1  PHE 152           1HE      PHE 152 -12.526   4.869   9.772
 1214    HE2  PHE 152           2HE      PHE 152 -10.274   1.258  10.049
 1215    HZ   PHE 152           HZ       PHE 152 -10.701   3.606  10.771
 1216    H    ASP 153           H        ASP 153 -14.922   0.970   5.147
 1217    HA   ASP 153           HA       ASP 153 -16.595  -1.037   4.106
 1218   1HB   ASP 153          2HB       ASP 153 -18.739   0.192   4.068
 1219   2HB   ASP 153          1HB       ASP 153 -18.236  -0.201   5.709
 1220    H    LYS 154           H        LYS 154 -15.984   2.459   4.098
 1221    HA   LYS 154           HA       LYS 154 -14.846   2.508   1.540
 1222   1HB   LYS 154          2HB       LYS 154 -17.207   1.957   0.897
 1223   2HB   LYS 154          1HB       LYS 154 -17.708   3.492   1.587
 1224   1HG   LYS 154          2HG       LYS 154 -15.605   3.453  -0.525
 1225   2HG   LYS 154          1HG       LYS 154 -17.297   3.249  -0.974
 1226   1HD   LYS 154          2HD       LYS 154 -16.199   5.554   0.632
 1227   2HD   LYS 154          1HD       LYS 154 -16.535   5.599  -1.099
 1228   1HE   LYS 154          2HE       LYS 154 -18.542   5.108   1.099
 1229   2HE   LYS 154          1HE       LYS 154 -18.362   6.595   0.168
 1230   1HZ   LYS 154          1HZ       LYS 154 -19.380   3.975  -0.726
 1231   2HZ   LYS 154          2HZ       LYS 154 -18.773   5.090  -1.843
 1232   3HZ   LYS 154          3HZ       LYS 154 -20.098   5.500  -0.875
 1233    H    LEU 155           H        LEU 155 -13.374   3.925   2.412
 1234    HA   LEU 155           HA       LEU 155 -14.028   6.143   4.027
 1235   1HB   LEU 155          2HB       LEU 155 -11.579   5.681   2.318
 1236   2HB   LEU 155          1HB       LEU 155 -11.727   6.926   3.542
 1237    HG   LEU 155           HG       LEU 155 -11.557   3.939   3.950
 1238   1HD1  LEU 155          1HD1      LEU 155  -9.414   4.520   4.106
 1239   2HD1  LEU 155          2HD1      LEU 155  -9.859   5.176   5.681
 1240   3HD1  LEU 155          3HD1      LEU 155  -9.787   6.235   4.273
 1241   1HD2  LEU 155          1HD2      LEU 155 -12.320   6.054   5.968
 1242   2HD2  LEU 155          2HD2      LEU 155 -11.886   4.388   6.354
 1243   3HD2  LEU 155          3HD2      LEU 155 -13.332   4.725   5.403
 1244    H    ASN 156           H        ASN 156 -12.928   8.430   3.055
 1245    HA   ASN 156           HA       ASN 156 -14.425   8.907   0.569
 1246   1HB   ASN 156          2HB       ASN 156 -14.935  11.196   1.422
 1247   2HB   ASN 156          1HB       ASN 156 -15.705   9.904   2.327
 1248   1HD2  ASN 156          1HD2      ASN 156 -12.520   9.839   3.182
 1249   2HD2  ASN 156          2HD2      ASN 156 -12.587  10.845   4.581
 1250    H    LYS 157           H        LYS 157 -13.256   9.616  -1.056
 1251    HA   LYS 157           HA       LYS 157 -10.521  10.100  -0.918
 1252   1HB   LYS 157          2HB       LYS 157 -12.448  11.125  -3.010
 1253   2HB   LYS 157          1HB       LYS 157 -10.705  10.976  -3.185
 1254   1HG   LYS 157          2HG       LYS 157 -10.894   8.545  -2.920
 1255   2HG   LYS 157          1HG       LYS 157 -12.646   8.710  -2.793
 1256   1HD   LYS 157          2HD       LYS 157 -12.713   9.674  -5.045
 1257   2HD   LYS 157          1HD       LYS 157 -10.963   9.496  -5.171
 1258   1HE   LYS 157          2HE       LYS 157 -11.202   7.068  -4.917
 1259   2HE   LYS 157          1HE       LYS 157 -12.952   7.257  -4.813
 1260   1HZ   LYS 157          1HZ       LYS 157 -12.319   8.551  -7.110
 1261   2HZ   LYS 157          2HZ       LYS 157 -12.917   6.972  -7.009
 1262   3HZ   LYS 157          3HZ       LYS 157 -11.251   7.240  -7.126
 1263    H    TRP 158           H        TRP 158  -9.686  11.580   0.333
 1264    HA   TRP 158           HA       TRP 158  -9.723  13.505   1.665
 1265   1HB   TRP 158          2HB       TRP 158  -7.876  13.519   0.043
 1266   2HB   TRP 158          1HB       TRP 158  -8.905  14.332  -1.130
 1267    HD1  TRP 158           HD       TRP 158  -7.779  16.635  -1.351
 1268    HE1  TRP 158           1HE      TRP 158  -7.208  18.547   0.271
 1269    HE3  TRP 158           3HE      TRP 158  -8.844  14.300   3.078
 1270    HZ2  TRP 158           2HZ      TRP 158  -7.206  19.009   3.055
 1271    HZ3  TRP 158           3HZ      TRP 158  -8.530  15.551   5.172
 1272    HH2  TRP 158           HH       TRP 158  -7.726  17.857   5.160
  Start of MODEL   13
    1   1H    THR   1          1HT       THR   1   4.374  -8.220 -13.935
    2   2H    THR   1          2HT       THR   1   4.526  -9.699 -14.744
    3   3H    THR   1          3HT       THR   1   4.791  -9.616 -13.075
    4    HA   THR   1           HA       THR   1   2.276  -9.607 -14.568
    5    HB   THR   1           HB       THR   1   3.256 -11.600 -13.380
    6    HG1  THR   1           1HG      THR   1   1.045 -11.544 -13.736
    7   1HG2  THR   1          1HG2      THR   1   2.488 -10.127 -10.867
    8   2HG2  THR   1          2HG2      THR   1   4.147 -10.399 -11.408
    9   3HG2  THR   1          3HG2      THR   1   3.118 -11.771 -10.996
   10    H    VAL   2           H        VAL   2   0.320  -8.908 -13.494
   11    HA   VAL   2           HA       VAL   2   0.557  -6.316 -12.380
   12    HB   VAL   2           HB       VAL   2  -1.400  -6.848 -13.665
   13   1HG1  VAL   2          1HG1      VAL   2  -2.943  -8.544 -13.199
   14   2HG1  VAL   2          2HG1      VAL   2  -2.333  -8.771 -11.559
   15   3HG1  VAL   2          3HG1      VAL   2  -1.371  -9.303 -12.940
   16   1HG2  VAL   2          1HG2      VAL   2  -2.290  -6.556 -10.802
   17   2HG2  VAL   2          2HG2      VAL   2  -3.120  -5.990 -12.252
   18   3HG2  VAL   2          3HG2      VAL   2  -1.601  -5.245 -11.759
   19    H    ALA   3           H        ALA   3   1.529  -6.119 -10.460
   20    HA   ALA   3           HA       ALA   3   0.654  -7.860  -8.260
   21   1HB   ALA   3          1HB       ALA   3   3.081  -6.099  -8.188
   22   2HB   ALA   3          2HB       ALA   3   3.120  -7.697  -8.933
   23   3HB   ALA   3          3HB       ALA   3   2.722  -7.530  -7.223
   24    H    TYR   4           H        TYR   4  -0.219  -7.020  -6.425
   25    HA   TYR   4           HA       TYR   4  -1.010  -4.213  -6.584
   26   1HB   TYR   4          2HB       TYR   4  -2.757  -5.902  -6.135
   27   2HB   TYR   4          1HB       TYR   4  -1.923  -6.335  -4.640
   28    HD1  TYR   4           1HD      TYR   4  -2.497  -2.938  -6.052
   29    HD2  TYR   4           2HD      TYR   4  -3.447  -5.712  -2.970
   30    HE1  TYR   4           1HE      TYR   4  -3.749  -1.186  -4.865
   31    HE2  TYR   4           2HE      TYR   4  -4.700  -3.967  -1.777
   32    HH   TYR   4           HH       TYR   4  -5.945  -1.615  -2.734
   33    H    ILE   5           H        ILE   5   0.465  -2.896  -5.816
   34    HA   ILE   5           HA       ILE   5   1.840  -3.477  -3.298
   35    HB   ILE   5           HB       ILE   5   2.576  -1.066  -4.832
   36   1HG1  ILE   5          2HG1      ILE   5   3.035  -3.845  -5.940
   37   2HG1  ILE   5          1HG1      ILE   5   2.085  -2.574  -6.684
   38   1HG2  ILE   5          1HG2      ILE   5   3.995  -1.523  -3.063
   39   2HG2  ILE   5          2HG2      ILE   5   4.870  -2.211  -4.431
   40   3HG2  ILE   5          3HG2      ILE   5   3.958  -3.262  -3.348
   41   1HD1  ILE   5          1HD1      ILE   5   4.987  -2.159  -6.116
   42   2HD1  ILE   5          2HD1      ILE   5   3.954  -1.365  -7.305
   43   3HD1  ILE   5          3HD1      ILE   5   4.458  -3.038  -7.551
   44    H    ALA   6           H        ALA   6   1.231  -2.421  -1.485
   45    HA   ALA   6           HA       ALA   6  -0.733  -0.280  -1.696
   46   1HB   ALA   6          1HB       ALA   6  -1.547  -1.332   0.079
   47   2HB   ALA   6          2HB       ALA   6  -0.174  -0.718   1.000
   48   3HB   ALA   6          3HB       ALA   6  -0.087  -2.308   0.241
   49    H    ILE   7           H        ILE   7  -0.481   1.788  -0.868
   50    HA   ILE   7           HA       ILE   7   2.235   2.554  -0.023
   51    HB   ILE   7           HB       ILE   7   0.474   4.060  -1.960
   52   1HG1  ILE   7          2HG1      ILE   7   1.646   2.188  -2.989
   53   2HG1  ILE   7          1HG1      ILE   7   2.359   3.707  -3.522
   54   1HG2  ILE   7          1HG2      ILE   7   1.455   5.859  -1.027
   55   2HG2  ILE   7          2HG2      ILE   7   2.844   5.364  -1.994
   56   3HG2  ILE   7          3HG2      ILE   7   2.745   4.905  -0.294
   57   1HD1  ILE   7          1HD1      ILE   7   3.649   1.499  -2.382
   58   2HD1  ILE   7          2HD1      ILE   7   3.706   2.789  -1.179
   59   3HD1  ILE   7          3HD1      ILE   7   4.345   3.065  -2.801
   60    H    GLY   8           H        GLY   8   1.902   2.961   2.096
   61   1HA   GLY   8          2HA       GLY   8  -0.260   4.856   2.781
   62   2HA   GLY   8          1HA       GLY   8   0.269   3.568   3.854
   63    H    SER   9           H        SER   9   0.494   6.802   3.246
   64    HA   SER   9           HA       SER   9   3.045   7.014   4.712
   65   1HB   SER   9          2HB       SER   9   1.936   8.981   2.694
   66   2HB   SER   9          1HB       SER   9   3.466   9.124   3.558
   67    HG   SER   9           HG       SER   9   2.894   7.738   1.311
   68    H    ASN  10           H        ASN  10   3.182   9.306   5.795
   69    HA   ASN  10           HA       ASN  10   0.560  10.106   6.839
   70   1HB   ASN  10          2HB       ASN  10   1.793   8.403   8.335
   71   2HB   ASN  10          1HB       ASN  10   2.893   9.726   8.701
   72   1HD2  ASN  10          1HD2      ASN  10  -0.064  11.064   8.113
   73   2HD2  ASN  10          2HD2      ASN  10  -0.661  11.150   9.729
   74    H    LEU  11           H        LEU  11   1.767  11.827   8.868
   75    HA   LEU  11           HA       LEU  11   2.537  13.945   9.136
   76   1HB   LEU  11          2HB       LEU  11   4.186  13.187   6.733
   77   2HB   LEU  11          1HB       LEU  11   4.316  14.751   7.513
   78    HG   LEU  11           HG       LEU  11   4.969  12.066   8.735
   79   1HD1  LEU  11          1HD1      LEU  11   6.732  14.446   8.180
   80   2HD1  LEU  11          2HD1      LEU  11   6.601  13.039   7.124
   81   3HD1  LEU  11          3HD1      LEU  11   7.225  12.856   8.762
   82   1HD2  LEU  11          1HD2      LEU  11   5.555  13.224  10.742
   83   2HD2  LEU  11          2HD2      LEU  11   3.896  13.664  10.334
   84   3HD2  LEU  11          3HD2      LEU  11   5.214  14.790  10.005
   85    H    ALA  12           H        ALA  12   2.554  16.147   8.112
   86    HA   ALA  12           HA       ALA  12   0.116  16.614   6.787
   87   1HB   ALA  12          1HB       ALA  12   0.522  18.761   7.270
   88   2HB   ALA  12          2HB       ALA  12   2.088  18.738   6.458
   89   3HB   ALA  12          3HB       ALA  12   1.950  18.170   8.121
   90    H    SER  13           H        SER  13  -0.405  16.867   4.671
   91    HA   SER  13           HA       SER  13  -0.249  16.438   2.430
   92   1HB   SER  13          2HB       SER  13   1.418  17.829   1.247
   93   2HB   SER  13          1HB       SER  13   0.577  18.744   2.497
   94    HG   SER  13           HG       SER  13   2.437  19.100   3.380
   95    HA   PRO  14           HA       PRO  14   2.900  13.018   3.298
   96   1HB   PRO  14          2HB       PRO  14   0.624  11.485   2.160
   97   2HB   PRO  14          1HB       PRO  14   1.658  11.107   3.540
   98   1HG   PRO  14          2HG       PRO  14  -0.840  11.956   3.904
   99   2HG   PRO  14          1HG       PRO  14   0.468  12.483   4.979
  100   1HD   PRO  14          2HD       PRO  14  -0.877  13.963   2.758
  101   2HD   PRO  14          1HD       PRO  14  -0.299  14.562   4.325
  102    H    LEU  15           H        LEU  15   1.141  14.253   0.621
  103    HA   LEU  15           HA       LEU  15   1.776  12.647  -1.488
  104   1HB   LEU  15          2HB       LEU  15   0.415  14.673  -1.660
  105   2HB   LEU  15          1HB       LEU  15   1.848  15.662  -1.448
  106    HG   LEU  15           HG       LEU  15   2.753  14.784  -3.573
  107   1HD1  LEU  15          1HD1      LEU  15   0.078  13.592  -4.166
  108   2HD1  LEU  15          2HD1      LEU  15   1.310  12.642  -3.339
  109   3HD1  LEU  15          3HD1      LEU  15   1.634  13.301  -4.941
  110   1HD2  LEU  15          1HD2      LEU  15  -0.030  15.862  -3.973
  111   2HD2  LEU  15          2HD2      LEU  15   1.386  16.095  -5.000
  112   3HD2  LEU  15          3HD2      LEU  15   1.318  16.852  -3.408
  113    H    GLU  16           H        GLU  16   3.985  14.602   0.358
  114    HA   GLU  16           HA       GLU  16   6.076  14.733  -1.550
  115   1HB   GLU  16          2HB       GLU  16   6.226  14.825   1.468
  116   2HB   GLU  16          1HB       GLU  16   7.515  15.294   0.369
  117   1HG   GLU  16          2HG       GLU  16   6.144  17.093  -0.507
  118   2HG   GLU  16          1HG       GLU  16   4.814  16.608   0.543
  119    H    GLN  17           H        GLN  17   5.857  12.706   1.393
  120    HA   GLN  17           HA       GLN  17   7.996  11.031   0.584
  121   1HB   GLN  17          2HB       GLN  17   6.826  11.430   2.951
  122   2HB   GLN  17          1HB       GLN  17   5.956   9.980   2.468
  123   1HG   GLN  17          2HG       GLN  17   7.853   9.352   3.778
  124   2HG   GLN  17          1HG       GLN  17   8.115   8.846   2.111
  125   1HE2  GLN  17          1HE2      GLN  17   9.308  10.624   4.731
  126   2HE2  GLN  17          2HE2      GLN  17  10.669  11.333   3.939
  127    H    VAL  18           H        VAL  18   4.482  10.773   0.363
  128    HA   VAL  18           HA       VAL  18   4.141   8.188  -0.499
  129    HB   VAL  18           HB       VAL  18   2.747  10.651  -1.575
  130   1HG1  VAL  18          1HG1      VAL  18   1.134   8.297  -1.669
  131   2HG1  VAL  18          2HG1      VAL  18   2.643   7.997  -2.530
  132   3HG1  VAL  18          3HG1      VAL  18   1.623   9.360  -2.988
  133   1HG2  VAL  18          1HG2      VAL  18   2.691   9.817   0.957
  134   2HG2  VAL  18          2HG2      VAL  18   1.439   8.767   0.296
  135   3HG2  VAL  18          3HG2      VAL  18   1.286  10.518   0.155
  136    H    ASN  19           H        ASN  19   5.388  10.950  -2.272
  137    HA   ASN  19           HA       ASN  19   5.478   9.628  -4.809
  138   1HB   ASN  19          2HB       ASN  19   6.777  12.163  -3.798
  139   2HB   ASN  19          1HB       ASN  19   6.940  11.584  -5.452
  140   1HD2  ASN  19          1HD2      ASN  19   3.952  10.639  -4.534
  141   2HD2  ASN  19          2HD2      ASN  19   3.034  11.995  -5.077
  142    H    ALA  20           H        ALA  20   7.653   9.985  -2.089
  143    HA   ALA  20           HA       ALA  20  10.087   9.318  -3.261
  144   1HB   ALA  20          1HB       ALA  20   9.043   9.517  -0.616
  145   2HB   ALA  20          2HB       ALA  20  10.716   9.622  -1.161
  146   3HB   ALA  20          3HB       ALA  20  10.022   8.056  -0.744
  147    H    ALA  21           H        ALA  21   7.461   7.227  -2.189
  148    HA   ALA  21           HA       ALA  21   8.924   4.801  -2.833
  149   1HB   ALA  21          1HB       ALA  21   7.448   3.897  -1.424
  150   2HB   ALA  21          2HB       ALA  21   6.138   4.288  -2.539
  151   3HB   ALA  21          3HB       ALA  21   6.609   5.444  -1.294
  152    H    LEU  22           H        LEU  22   6.309   6.778  -4.052
  153    HA   LEU  22           HA       LEU  22   5.577   5.223  -6.281
  154   1HB   LEU  22          2HB       LEU  22   4.053   6.877  -5.636
  155   2HB   LEU  22          1HB       LEU  22   5.296   8.104  -5.496
  156    HG   LEU  22           HG       LEU  22   5.502   8.124  -7.957
  157   1HD1  LEU  22          1HD1      LEU  22   2.957   6.931  -8.554
  158   2HD1  LEU  22          2HD1      LEU  22   4.023   5.751  -7.793
  159   3HD1  LEU  22          3HD1      LEU  22   4.542   6.594  -9.252
  160   1HD2  LEU  22          1HD2      LEU  22   3.860   9.673  -8.177
  161   2HD2  LEU  22          2HD2      LEU  22   3.789   9.470  -6.426
  162   3HD2  LEU  22          3HD2      LEU  22   2.630   8.634  -7.459
  163    H    LYS  23           H        LYS  23   8.333   7.029  -5.553
  164    HA   LYS  23           HA       LYS  23   9.095   7.732  -8.238
  165   1HB   LYS  23          2HB       LYS  23   9.798   8.722  -5.844
  166   2HB   LYS  23          1HB       LYS  23  11.108   7.567  -6.051
  167   1HG   LYS  23          2HG       LYS  23  11.830   9.695  -6.853
  168   2HG   LYS  23          1HG       LYS  23  11.620   8.621  -8.239
  169   1HD   LYS  23          2HD       LYS  23   9.442   9.618  -8.693
  170   2HD   LYS  23          1HD       LYS  23   9.615  10.665  -7.284
  171   1HE   LYS  23          2HE       LYS  23  11.406  10.662  -9.714
  172   2HE   LYS  23          1HE       LYS  23  10.144  11.845  -9.368
  173   1HZ   LYS  23          1HZ       LYS  23  12.801  11.590  -8.240
  174   2HZ   LYS  23          2HZ       LYS  23  11.584  11.954  -7.125
  175   3HZ   LYS  23          3HZ       LYS  23  11.842  12.967  -8.455
  176    H    ALA  24           H        ALA  24  10.411   5.505  -5.781
  177    HA   ALA  24           HA       ALA  24  12.100   4.128  -7.602
  178   1HB   ALA  24          1HB       ALA  24  11.669   4.165  -4.822
  179   2HB   ALA  24          2HB       ALA  24  12.915   3.282  -5.709
  180   3HB   ALA  24          3HB       ALA  24  11.374   2.504  -5.344
  181    H    LEU  25           H        LEU  25   8.758   3.901  -6.797
  182    HA   LEU  25           HA       LEU  25   8.458   1.233  -7.886
  183   1HB   LEU  25          2HB       LEU  25   7.083   2.196  -5.963
  184   2HB   LEU  25          1HB       LEU  25   6.251   3.152  -7.177
  185    HG   LEU  25           HG       LEU  25   6.377   0.177  -7.475
  186   1HD1  LEU  25          1HD1      LEU  25   3.924   1.046  -6.255
  187   2HD1  LEU  25          2HD1      LEU  25   5.289   1.457  -5.219
  188   3HD1  LEU  25          3HD1      LEU  25   5.043  -0.212  -5.732
  189   1HD2  LEU  25          1HD2      LEU  25   4.622   0.453  -8.916
  190   2HD2  LEU  25          2HD2      LEU  25   5.488   1.968  -9.169
  191   3HD2  LEU  25          3HD2      LEU  25   4.062   1.929  -8.131
  192    H    GLY  26           H        GLY  26   7.846   4.577  -8.805
  193   1HA   GLY  26          2HA       GLY  26   6.358   4.179 -11.131
  194   2HA   GLY  26          1HA       GLY  26   7.479   5.516 -10.878
  195    H    ASP  27           H        ASP  27   9.827   4.057 -10.567
  196    HA   ASP  27           HA       ASP  27  10.125   2.633 -13.116
  197   1HB   ASP  27          2HB       ASP  27  10.938   4.948 -13.414
  198   2HB   ASP  27          1HB       ASP  27  12.036   4.731 -12.055
  199    H    ILE  28           H        ILE  28  10.382   0.648 -12.302
  200    HA   ILE  28           HA       ILE  28  12.448   0.212 -10.247
  201    HB   ILE  28           HB       ILE  28  10.394  -1.857 -10.947
  202   1HG1  ILE  28          2HG1      ILE  28   9.962   0.537  -9.148
  203   2HG1  ILE  28          1HG1      ILE  28   9.049   0.127 -10.594
  204   1HG2  ILE  28          1HG2      ILE  28  10.653  -2.404  -8.540
  205   2HG2  ILE  28          2HG2      ILE  28  11.867  -1.131  -8.420
  206   3HG2  ILE  28          3HG2      ILE  28  12.156  -2.529  -9.456
  207   1HD1  ILE  28          1HD1      ILE  28   7.930  -0.352  -8.399
  208   2HD1  ILE  28          2HD1      ILE  28   9.124  -1.627  -8.160
  209   3HD1  ILE  28          3HD1      ILE  28   8.013  -1.704  -9.529
  210    HA   PRO  29           HA       PRO  29  15.418  -1.862 -12.796
  211   1HB   PRO  29          2HB       PRO  29  14.399  -4.270 -11.319
  212   2HB   PRO  29          1HB       PRO  29  16.056  -3.858 -11.768
  213   1HG   PRO  29          2HG       PRO  29  15.034  -3.345  -9.306
  214   2HG   PRO  29          1HG       PRO  29  16.294  -2.349 -10.057
  215   1HD   PRO  29          2HD       PRO  29  13.558  -1.638  -9.436
  216   2HD   PRO  29          1HD       PRO  29  14.853  -0.605 -10.071
  217    H    GLU  30           H        GLU  30  12.391  -3.776 -12.383
  218    HA   GLU  30           HA       GLU  30  12.292  -4.036 -15.305
  219   1HB   GLU  30          2HB       GLU  30  11.961  -6.362 -13.405
  220   2HB   GLU  30          1HB       GLU  30  11.771  -6.422 -15.152
  221   1HG   GLU  30          2HG       GLU  30  14.321  -5.750 -13.703
  222   2HG   GLU  30          1HG       GLU  30  13.921  -7.325 -14.386
  223    H    SER  31           H        SER  31  10.722  -3.052 -12.634
  224    HA   SER  31           HA       SER  31   8.090  -4.077 -13.371
  225   1HB   SER  31          2HB       SER  31   8.830  -2.205 -11.118
  226   2HB   SER  31          1HB       SER  31   7.315  -3.084 -11.314
  227    HG   SER  31           HG       SER  31   8.565  -4.243  -9.901
  228    H    HIS  32           H        HIS  32   6.274  -2.262 -13.044
  229    HA   HIS  32           HA       HIS  32   6.891   0.360 -13.948
  230   1HB   HIS  32          2HB       HIS  32   7.298  -0.866 -16.050
  231   2HB   HIS  32          1HB       HIS  32   5.650  -1.471 -16.009
  232    HD1  HIS  32           1HD      HIS  32   5.852  -0.182 -18.464
  233    HD2  HIS  32           2HD      HIS  32   5.508   2.167 -15.054
  234    HE1  HIS  32           1HE      HIS  32   5.095   2.074 -19.274
  235    HE2  HIS  32           2HE      HIS  32   4.967   3.500 -17.201
  236    H    ILE  33           H        ILE  33   5.328   1.679 -13.371
  237    HA   ILE  33           HA       ILE  33   3.105   0.986 -11.905
  238    HB   ILE  33           HB       ILE  33   4.023   3.415 -13.322
  239   1HG1  ILE  33          2HG1      ILE  33   4.637   2.741 -10.977
  240   2HG1  ILE  33          1HG1      ILE  33   3.969   4.363 -11.126
  241   1HG2  ILE  33          1HG2      ILE  33   1.918   4.627 -12.536
  242   2HG2  ILE  33          2HG2      ILE  33   1.165   3.034 -12.472
  243   3HG2  ILE  33          3HG2      ILE  33   1.789   3.654 -14.001
  244   1HD1  ILE  33          1HD1      ILE  33   2.383   1.950 -10.290
  245   2HD1  ILE  33          2HD1      ILE  33   1.864   3.635 -10.256
  246   3HD1  ILE  33          3HD1      ILE  33   3.141   3.084  -9.171
  247    H    LEU  34           H        LEU  34   0.847   0.991 -12.334
  248    HA   LEU  34           HA       LEU  34  -0.011   0.911 -15.123
  249   1HB   LEU  34          2HB       LEU  34   0.616  -1.431 -14.173
  250   2HB   LEU  34          1HB       LEU  34  -0.887  -1.292 -13.284
  251    HG   LEU  34           HG       LEU  34  -1.184  -2.603 -15.318
  252   1HD1  LEU  34          1HD1      LEU  34  -3.118  -1.418 -14.593
  253   2HD1  LEU  34          2HD1      LEU  34  -3.032  -1.286 -16.350
  254   3HD1  LEU  34          3HD1      LEU  34  -2.550   0.077 -15.339
  255   1HD2  LEU  34          1HD2      LEU  34  -1.043  -0.545 -17.288
  256   2HD2  LEU  34          2HD2      LEU  34  -0.181  -2.080 -17.221
  257   3HD2  LEU  34          3HD2      LEU  34   0.504  -0.652 -16.449
  258    H    THR  35           H        THR  35  -1.801  -0.330 -12.342
  259    HA   THR  35           HA       THR  35  -3.705   1.889 -12.657
  260    HB   THR  35           HB       THR  35  -5.213   0.319 -11.270
  261    HG1  THR  35           1HG      THR  35  -2.963  -1.234 -11.644
  262   1HG2  THR  35          1HG2      THR  35  -4.899  -1.271 -13.618
  263   2HG2  THR  35          2HG2      THR  35  -4.738   0.435 -14.036
  264   3HG2  THR  35          3HG2      THR  35  -6.182  -0.137 -13.200
  265    H    VAL  36           H        VAL  36  -3.303   3.502 -11.270
  266    HA   VAL  36           HA       VAL  36  -3.101   2.835  -8.433
  267    HB   VAL  36           HB       VAL  36  -1.255   4.327  -8.019
  268   1HG1  VAL  36          1HG1      VAL  36   0.477   2.997  -8.810
  269   2HG1  VAL  36          2HG1      VAL  36  -0.343   2.664 -10.335
  270   3HG1  VAL  36          3HG1      VAL  36  -0.915   1.917  -8.843
  271   1HG2  VAL  36          1HG2      VAL  36  -1.494   6.050  -9.598
  272   2HG2  VAL  36          2HG2      VAL  36  -1.441   4.926 -10.956
  273   3HG2  VAL  36          3HG2      VAL  36   0.019   5.249 -10.020
  274    H    SER  37           H        SER  37  -4.448   4.014  -7.262
  275    HA   SER  37           HA       SER  37  -4.817   6.765  -7.400
  276   1HB   SER  37          2HB       SER  37  -7.066   6.934  -8.402
  277   2HB   SER  37          1HB       SER  37  -5.885   6.354  -9.575
  278    HG   SER  37           HG       SER  37  -6.690   4.301  -9.361
  279    H    SER  38           H        SER  38  -7.533   6.953  -6.674
  280    HA   SER  38           HA       SER  38  -8.936   6.720  -4.901
  281   1HB   SER  38          2HB       SER  38  -7.705   3.991  -4.506
  282   2HB   SER  38          1HB       SER  38  -9.313   4.508  -4.020
  283    HG   SER  38           HG       SER  38  -8.360   4.274  -6.682
  284    H    PHE  39           H        PHE  39  -7.211   8.364  -4.105
  285    HA   PHE  39           HA       PHE  39  -5.611   7.400  -1.872
  286   1HB   PHE  39          2HB       PHE  39  -6.011  10.197  -2.968
  287   2HB   PHE  39          1HB       PHE  39  -4.918   9.784  -1.656
  288    HD1  PHE  39           1HD      PHE  39  -5.609   8.333  -5.027
  289    HD2  PHE  39           2HD      PHE  39  -2.719   9.899  -2.320
  290    HE1  PHE  39           1HE      PHE  39  -3.830   7.874  -6.664
  291    HE2  PHE  39           2HE      PHE  39  -0.939   9.444  -3.954
  292    HZ   PHE  39           HZ       PHE  39  -1.472   8.464  -6.117
  293    H    TYR  40           H        TYR  40  -5.925   8.198   0.325
  294    HA   TYR  40           HA       TYR  40  -8.270   9.700   0.989
  295   1HB   TYR  40          2HB       TYR  40  -9.363   7.757   2.221
  296   2HB   TYR  40          1HB       TYR  40  -9.482   7.739   0.459
  297    HD1  TYR  40           1HD      TYR  40  -8.616   5.974  -0.788
  298    HD2  TYR  40           2HD      TYR  40  -7.577   6.326   3.316
  299    HE1  TYR  40           1HE      TYR  40  -7.545   3.772  -0.879
  300    HE2  TYR  40           2HE      TYR  40  -6.503   4.118   3.238
  301    HH   TYR  40           HH       TYR  40  -7.022   1.910   1.027
  302    H    ARG  41           H        ARG  41  -8.861   9.068   3.436
  303    HA   ARG  41           HA       ARG  41  -6.420   9.619   4.938
  304   1HB   ARG  41          2HB       ARG  41  -8.441  11.057   5.187
  305   2HB   ARG  41          1HB       ARG  41  -9.304   9.671   5.843
  306   1HG   ARG  41          2HG       ARG  41  -7.678   9.569   7.691
  307   2HG   ARG  41          1HG       ARG  41  -6.891  11.013   7.050
  308   1HD   ARG  41          2HD       ARG  41  -9.725  10.788   8.058
  309   2HD   ARG  41          1HD       ARG  41  -8.390  11.634   8.838
  310    HE   ARG  41           HE       ARG  41  -8.716  12.704   6.280
  311   1HH1  ARG  41          1HH1      ARG  41 -10.437  12.525   9.306
  312   2HH1  ARG  41          2HH1      ARG  41 -11.281  14.019   9.061
  313   1HH2  ARG  41          1HH2      ARG  41  -9.820  14.666   5.949
  314   2HH2  ARG  41          2HH2      ARG  41 -10.930  15.235   7.152
  315    H    THR  42           H        THR  42  -6.002   8.537   6.972
  316    HA   THR  42           HA       THR  42  -7.325   5.977   7.410
  317    HB   THR  42           HB       THR  42  -4.347   6.208   6.930
  318    HG1  THR  42           1HG      THR  42  -4.931   5.804   4.969
  319   1HG2  THR  42          1HG2      THR  42  -5.759   4.294   8.463
  320   2HG2  THR  42          2HG2      THR  42  -4.055   4.309   8.012
  321   3HG2  THR  42          3HG2      THR  42  -5.236   3.522   6.967
  322    HA   PRO  43           HA       PRO  43  -6.365   7.380  11.546
  323   1HB   PRO  43          2HB       PRO  43  -7.960   5.733  12.882
  324   2HB   PRO  43          1HB       PRO  43  -8.644   6.953  11.800
  325   1HG   PRO  43          2HG       PRO  43  -8.301   4.018  11.378
  326   2HG   PRO  43          1HG       PRO  43  -9.626   5.079  10.868
  327   1HD   PRO  43          2HD       PRO  43  -7.470   4.238   9.273
  328   2HD   PRO  43          1HD       PRO  43  -8.598   5.554   8.898
  329    HA   PRO  44           HA       PRO  44  -3.132   4.638  12.914
  330   1HB   PRO  44          2HB       PRO  44  -3.597   5.672  15.634
  331   2HB   PRO  44          1HB       PRO  44  -2.156   5.793  14.620
  332   1HG   PRO  44          2HG       PRO  44  -3.713   7.923  15.123
  333   2HG   PRO  44          1HG       PRO  44  -2.898   7.706  13.563
  334   1HD   PRO  44          2HD       PRO  44  -5.758   7.207  14.295
  335   2HD   PRO  44          1HD       PRO  44  -5.082   7.930  12.819
  336    H    LEU  45           H        LEU  45  -5.452   5.025  15.579
  337    HA   LEU  45           HA       LEU  45  -6.424   3.505  16.974
  338   1HB   LEU  45          2HB       LEU  45  -7.778   3.344  14.893
  339   2HB   LEU  45          1HB       LEU  45  -6.781   1.995  14.385
  340    HG   LEU  45           HG       LEU  45  -7.551   0.704  16.341
  341   1HD1  LEU  45          1HD1      LEU  45  -9.341   1.489  17.733
  342   2HD1  LEU  45          2HD1      LEU  45  -9.457   2.989  16.811
  343   3HD1  LEU  45          3HD1      LEU  45  -8.026   2.662  17.789
  344   1HD2  LEU  45          1HD2      LEU  45 -10.055   1.630  15.050
  345   2HD2  LEU  45          2HD2      LEU  45  -9.449  -0.007  15.306
  346   3HD2  LEU  45          3HD2      LEU  45  -8.782   0.990  14.012
  347    H    GLY  46           H        GLY  46  -3.814   3.229  17.313
  348   1HA   GLY  46          2HA       GLY  46  -3.413   0.745  18.388
  349   2HA   GLY  46          1HA       GLY  46  -2.861   0.583  16.729
  350    HA   PRO  47           HA       PRO  47   1.120   2.146  17.735
  351   1HB   PRO  47          2HB       PRO  47   1.561   4.049  15.790
  352   2HB   PRO  47          1HB       PRO  47   1.752   2.309  15.550
  353   1HG   PRO  47          2HG       PRO  47  -0.552   4.079  14.840
  354   2HG   PRO  47          1HG       PRO  47   0.172   2.754  13.910
  355   1HD   PRO  47          2HD       PRO  47  -2.116   2.422  15.265
  356   2HD   PRO  47          1HD       PRO  47  -0.910   1.122  15.155
  357    H    GLN  48           H        GLN  48  -0.846   4.915  16.625
  358    HA   GLN  48           HA       GLN  48  -0.034   6.358  19.065
  359   1HB   GLN  48          2HB       GLN  48  -0.545   7.562  16.342
  360   2HB   GLN  48          1HB       GLN  48  -0.003   8.413  17.778
  361   1HG   GLN  48          2HG       GLN  48   2.130   7.501  17.666
  362   2HG   GLN  48          1HG       GLN  48   1.618   6.195  16.596
  363   1HE2  GLN  48          1HE2      GLN  48  -0.001   8.625  15.336
  364   2HE2  GLN  48          2HE2      GLN  48   1.145   9.258  14.212
  365    H    ASP  49           H        ASP  49  -1.556   8.598  18.669
  366    HA   ASP  49           HA       ASP  49  -4.337   7.682  18.487
  367   1HB   ASP  49          2HB       ASP  49  -3.204   9.449  20.677
  368   2HB   ASP  49          1HB       ASP  49  -4.910   9.066  20.456
  369    H    GLN  50           H        GLN  50  -2.283   9.198  16.896
  370    HA   GLN  50           HA       GLN  50  -3.710  11.753  16.553
  371   1HB   GLN  50          2HB       GLN  50  -0.898  10.981  15.754
  372   2HB   GLN  50          1HB       GLN  50  -1.630  12.561  15.519
  373   1HG   GLN  50          2HG       GLN  50  -1.460  13.127  17.721
  374   2HG   GLN  50          1HG       GLN  50  -1.547  11.455  18.272
  375   1HE2  GLN  50          1HE2      GLN  50   0.527  10.772  16.165
  376   2HE2  GLN  50          2HE2      GLN  50   2.023  11.258  16.881
  377    HA   PRO  51           HA       PRO  51  -4.745   9.505  12.721
  378   1HB   PRO  51          2HB       PRO  51  -7.169  10.575  12.331
  379   2HB   PRO  51          1HB       PRO  51  -6.897   9.326  13.556
  380   1HG   PRO  51          2HG       PRO  51  -7.126  12.292  13.892
  381   2HG   PRO  51          1HG       PRO  51  -7.827  10.998  14.882
  382   1HD   PRO  51          2HD       PRO  51  -5.531  12.363  15.531
  383   2HD   PRO  51          1HD       PRO  51  -5.903  10.721  16.088
  384    H    ASP  52           H        ASP  52  -3.850  10.166  10.896
  385    HA   ASP  52           HA       ASP  52  -4.682  12.390   9.418
  386   1HB   ASP  52          2HB       ASP  52  -2.660  13.808   9.537
  387   2HB   ASP  52          1HB       ASP  52  -3.496  13.729  11.083
  388    H    TYR  53           H        TYR  53  -3.716   9.499   9.436
  389    HA   TYR  53           HA       TYR  53  -1.430   9.419   7.732
  390   1HB   TYR  53          2HB       TYR  53  -3.474   7.301   8.413
  391   2HB   TYR  53          1HB       TYR  53  -2.027   7.006   7.456
  392    HD1  TYR  53           1HD      TYR  53  -2.684   8.838  10.663
  393    HD2  TYR  53           2HD      TYR  53  -0.475   5.808   8.651
  394    HE1  TYR  53           1HE      TYR  53  -1.407   8.409  12.719
  395    HE2  TYR  53           2HE      TYR  53   0.805   5.372  10.703
  396    HH   TYR  53           HH       TYR  53  -0.114   6.426  13.704
  397    H    LEU  54           H        LEU  54  -1.625   8.049   5.660
  398    HA   LEU  54           HA       LEU  54  -3.974   8.605   4.059
  399   1HB   LEU  54          2HB       LEU  54  -2.895  10.652   3.660
  400   2HB   LEU  54          1HB       LEU  54  -1.307   9.916   3.627
  401    HG   LEU  54           HG       LEU  54  -3.295   9.268   1.474
  402   1HD1  LEU  54          1HD1      LEU  54  -2.343  11.876   2.043
  403   2HD1  LEU  54          2HD1      LEU  54  -3.267  11.325   0.646
  404   3HD1  LEU  54          3HD1      LEU  54  -1.505  11.296   0.603
  405   1HD2  LEU  54          1HD2      LEU  54  -1.487   7.942   1.093
  406   2HD2  LEU  54          2HD2      LEU  54  -0.376   9.027   1.929
  407   3HD2  LEU  54          3HD2      LEU  54  -0.904   9.398   0.288
  408    H    ASN  55           H        ASN  55  -3.939   7.476   2.000
  409    HA   ASN  55           HA       ASN  55  -1.776   5.585   1.551
  410   1HB   ASN  55          2HB       ASN  55  -3.350   4.504   3.215
  411   2HB   ASN  55          1HB       ASN  55  -4.577   4.521   1.953
  412   1HD2  ASN  55          1HD2      ASN  55  -4.590   2.939   0.481
  413   2HD2  ASN  55          2HD2      ASN  55  -3.393   1.701   0.347
  414    H    ALA  56           H        ALA  56  -2.170   4.283  -0.420
  415    HA   ALA  56           HA       ALA  56  -4.140   5.254  -2.294
  416   1HB   ALA  56          1HB       ALA  56  -1.205   5.689  -2.850
  417   2HB   ALA  56          2HB       ALA  56  -2.380   6.953  -2.487
  418   3HB   ALA  56          3HB       ALA  56  -2.535   6.006  -3.965
  419    H    ALA  57           H        ALA  57  -4.490   3.826  -3.979
  420    HA   ALA  57           HA       ALA  57  -3.377   1.184  -3.601
  421   1HB   ALA  57          1HB       ALA  57  -5.815   2.181  -4.506
  422   2HB   ALA  57          2HB       ALA  57  -5.308   0.492  -4.453
  423   3HB   ALA  57          3HB       ALA  57  -5.066   1.440  -5.920
  424    H    VAL  58           H        VAL  58  -1.837   0.244  -4.812
  425    HA   VAL  58           HA       VAL  58  -1.145   1.479  -7.371
  426    HB   VAL  58           HB       VAL  58   0.843   0.660  -5.245
  427   1HG1  VAL  58          1HG1      VAL  58   2.034   2.045  -7.430
  428   2HG1  VAL  58          2HG1      VAL  58   1.112   0.680  -8.062
  429   3HG1  VAL  58          3HG1      VAL  58   2.361   0.413  -6.845
  430   1HG2  VAL  58          1HG2      VAL  58   1.496   3.172  -5.757
  431   2HG2  VAL  58          2HG2      VAL  58   0.252   2.762  -4.576
  432   3HG2  VAL  58          3HG2      VAL  58  -0.208   3.271  -6.199
  433    H    ALA  59           H        ALA  59  -1.026   0.045  -8.935
  434    HA   ALA  59           HA       ALA  59  -0.438  -2.749  -8.280
  435   1HB   ALA  59          1HB       ALA  59  -2.274  -2.527 -10.508
  436   2HB   ALA  59          2HB       ALA  59  -2.963  -1.839  -9.036
  437   3HB   ALA  59          3HB       ALA  59  -2.394  -3.509  -9.047
  438    H    LEU  60           H        LEU  60   1.610  -2.497  -8.999
  439    HA   LEU  60           HA       LEU  60   1.968  -1.652 -11.784
  440   1HB   LEU  60          2HB       LEU  60   3.470  -0.358 -10.735
  441   2HB   LEU  60          1HB       LEU  60   3.552  -1.406  -9.334
  442    HG   LEU  60           HG       LEU  60   4.911  -2.226 -11.874
  443   1HD1  LEU  60          1HD1      LEU  60   6.914  -1.064 -11.199
  444   2HD1  LEU  60          2HD1      LEU  60   6.096  -0.411  -9.780
  445   3HD1  LEU  60          3HD1      LEU  60   5.601   0.099 -11.394
  446   1HD2  LEU  60          1HD2      LEU  60   5.979  -3.730 -10.562
  447   2HD2  LEU  60          2HD2      LEU  60   4.572  -3.497  -9.526
  448   3HD2  LEU  60          3HD2      LEU  60   6.069  -2.629  -9.187
  449    H    GLU  61           H        GLU  61   3.137  -2.834 -13.250
  450    HA   GLU  61           HA       GLU  61   3.052  -5.694 -12.868
  451   1HB   GLU  61          2HB       GLU  61   4.045  -4.085 -15.232
  452   2HB   GLU  61          1HB       GLU  61   3.705  -5.811 -15.219
  453   1HG   GLU  61          2HG       GLU  61   1.344  -5.321 -14.764
  454   2HG   GLU  61          1HG       GLU  61   1.701  -3.598 -14.845
  455    H    THR  62           H        THR  62   4.637  -6.219 -11.388
  456    HA   THR  62           HA       THR  62   7.346  -5.297 -11.846
  457    HB   THR  62           HB       THR  62   6.710  -5.233  -9.557
  458    HG1  THR  62           1HG      THR  62   8.079  -7.645  -9.485
  459   1HG2  THR  62          1HG2      THR  62   6.255  -7.734  -8.600
  460   2HG2  THR  62          2HG2      THR  62   5.374  -7.760 -10.130
  461   3HG2  THR  62          3HG2      THR  62   5.012  -6.525  -8.923
  462    H    SER  63           H        SER  63   9.037  -6.986 -11.400
  463    HA   SER  63           HA       SER  63   8.468  -9.594 -12.587
  464   1HB   SER  63          2HB       SER  63  10.597  -7.688 -13.607
  465   2HB   SER  63          1HB       SER  63  10.460  -9.383 -14.077
  466    HG   SER  63           HG       SER  63   8.196  -8.692 -14.682
  467    H    LEU  64           H        LEU  64   9.450  -7.788 -10.254
  468    HA   LEU  64           HA       LEU  64  11.487  -9.623  -9.231
  469   1HB   LEU  64          2HB       LEU  64  12.118  -7.438  -7.895
  470   2HB   LEU  64          1HB       LEU  64  12.801  -7.755  -9.480
  471    HG   LEU  64           HG       LEU  64  10.313  -6.095  -9.195
  472   1HD1  LEU  64          1HD1      LEU  64  12.908  -4.702  -9.366
  473   2HD1  LEU  64          2HD1      LEU  64  12.515  -5.414  -7.801
  474   3HD1  LEU  64          3HD1      LEU  64  11.422  -4.242  -8.535
  475   1HD2  LEU  64          1HD2      LEU  64  10.867  -5.281 -11.308
  476   2HD2  LEU  64          2HD2      LEU  64  11.272  -6.995 -11.407
  477   3HD2  LEU  64          3HD2      LEU  64  12.546  -5.800 -11.173
  478    H    ALA  65           H        ALA  65  10.215 -10.806  -7.881
  479    HA   ALA  65           HA       ALA  65   7.934 -10.223  -6.581
  480   1HB   ALA  65          1HB       ALA  65   8.279 -12.151  -5.502
  481   2HB   ALA  65          2HB       ALA  65   9.773 -11.571  -4.765
  482   3HB   ALA  65          3HB       ALA  65   9.795 -12.237  -6.397
  483    HA   PRO  66           HA       PRO  66   8.063  -6.705  -3.919
  484   1HB   PRO  66          2HB       PRO  66   7.204  -8.858  -1.999
  485   2HB   PRO  66          1HB       PRO  66   6.656  -7.177  -2.097
  486   1HG   PRO  66          2HG       PRO  66   5.223  -9.075  -3.250
  487   2HG   PRO  66          1HG       PRO  66   5.501  -7.531  -4.067
  488   1HD   PRO  66          2HD       PRO  66   6.619 -10.200  -4.685
  489   2HD   PRO  66          1HD       PRO  66   6.391  -8.799  -5.753
  490    H    GLU  67           H        GLU  67   9.774  -9.651  -3.053
  491    HA   GLU  67           HA       GLU  67  11.083  -8.759  -0.765
  492   1HB   GLU  67          2HB       GLU  67  12.300 -10.459  -2.954
  493   2HB   GLU  67          1HB       GLU  67  12.738 -10.447  -1.248
  494   1HG   GLU  67          2HG       GLU  67  10.640 -11.417  -0.634
  495   2HG   GLU  67          1HG       GLU  67  10.034 -11.270  -2.287
  496    H    GLU  68           H        GLU  68  11.968  -8.559  -4.162
  497    HA   GLU  68           HA       GLU  68  14.168  -6.773  -3.746
  498   1HB   GLU  68          2HB       GLU  68  12.715  -7.439  -6.307
  499   2HB   GLU  68          1HB       GLU  68  14.328  -6.785  -6.147
  500   1HG   GLU  68          2HG       GLU  68  15.005  -8.880  -4.998
  501   2HG   GLU  68          1HG       GLU  68  13.406  -9.525  -5.362
  502    H    LEU  69           H        LEU  69  10.946  -6.483  -5.252
  503    HA   LEU  69           HA       LEU  69  11.002  -3.789  -5.890
  504   1HB   LEU  69          2HB       LEU  69   9.189  -4.814  -6.795
  505   2HB   LEU  69          1HB       LEU  69   8.891  -5.787  -5.380
  506    HG   LEU  69           HG       LEU  69   8.000  -3.708  -4.250
  507   1HD1  LEU  69          1HD1      LEU  69   8.438  -1.783  -5.264
  508   2HD1  LEU  69          2HD1      LEU  69   7.154  -2.209  -6.395
  509   3HD1  LEU  69          3HD1      LEU  69   8.834  -2.579  -6.788
  510   1HD2  LEU  69          1HD2      LEU  69   6.769  -5.520  -5.969
  511   2HD2  LEU  69          2HD2      LEU  69   6.150  -3.942  -6.449
  512   3HD2  LEU  69          3HD2      LEU  69   5.983  -4.482  -4.777
  513    H    LEU  70           H        LEU  70   9.526  -5.202  -2.949
  514    HA   LEU  70           HA       LEU  70   8.846  -2.852  -1.688
  515   1HB   LEU  70          2HB       LEU  70   9.905  -5.342  -0.342
  516   2HB   LEU  70          1HB       LEU  70   9.016  -4.056   0.445
  517    HG   LEU  70           HG       LEU  70   7.899  -5.840  -1.714
  518   1HD1  LEU  70          1HD1      LEU  70   7.780  -5.933   1.277
  519   2HD1  LEU  70          2HD1      LEU  70   8.110  -7.234   0.133
  520   3HD1  LEU  70          3HD1      LEU  70   6.475  -6.596   0.294
  521   1HD2  LEU  70          1HD2      LEU  70   6.843  -3.510  -0.189
  522   2HD2  LEU  70          2HD2      LEU  70   5.746  -4.818  -0.632
  523   3HD2  LEU  70          3HD2      LEU  70   6.625  -3.941  -1.885
  524    H    ASN  71           H        ASN  71  11.989  -4.530  -1.683
  525    HA   ASN  71           HA       ASN  71  13.309  -2.892   0.143
  526   1HB   ASN  71          2HB       ASN  71  14.220  -4.551  -2.161
  527   2HB   ASN  71          1HB       ASN  71  15.365  -3.425  -1.435
  528   1HD2  ASN  71          1HD2      ASN  71  14.768  -6.496  -1.465
  529   2HD2  ASN  71          2HD2      ASN  71  15.041  -6.937   0.184
  530    H    HIS  72           H        HIS  72  13.230  -2.488  -3.421
  531    HA   HIS  72           HA       HIS  72  14.686  -0.150  -3.523
  532   1HB   HIS  72          2HB       HIS  72  12.402  -1.026  -5.292
  533   2HB   HIS  72          1HB       HIS  72  13.481   0.316  -5.666
  534    HD1  HIS  72           1HD      HIS  72  16.195  -0.629  -5.438
  535    HD2  HIS  72           2HD      HIS  72  13.177  -3.229  -6.624
  536    HE1  HIS  72           1HE      HIS  72  17.359  -2.511  -6.632
  537    HE2  HIS  72           2HE      HIS  72  15.510  -4.054  -7.374
  538    H    THR  73           H        THR  73  11.116  -0.314  -3.590
  539    HA   THR  73           HA       THR  73  10.710   2.433  -3.379
  540    HB   THR  73           HB       THR  73   8.899   1.026  -4.004
  541    HG1  THR  73           1HG      THR  73   8.498   2.245  -1.491
  542   1HG2  THR  73          1HG2      THR  73   8.864  -1.021  -3.123
  543   2HG2  THR  73          2HG2      THR  73   7.874  -0.274  -1.869
  544   3HG2  THR  73          3HG2      THR  73   9.605  -0.497  -1.613
  545    H    GLN  74           H        GLN  74  11.057   0.041  -0.791
  546    HA   GLN  74           HA       GLN  74  10.630   1.942   1.302
  547   1HB   GLN  74          2HB       GLN  74  10.953   0.181   2.798
  548   2HB   GLN  74          1HB       GLN  74  10.266  -0.602   1.384
  549   1HG   GLN  74          2HG       GLN  74  12.428  -1.401   0.711
  550   2HG   GLN  74          1HG       GLN  74  13.200  -0.519   2.028
  551   1HE2  GLN  74          1HE2      GLN  74  12.136  -3.476   1.079
  552   2HE2  GLN  74          2HE2      GLN  74  11.926  -4.220   2.622
  553    H    ARG  75           H        ARG  75  13.266   1.078  -0.669
  554    HA   ARG  75           HA       ARG  75  15.361   1.731   1.172
  555   1HB   ARG  75          2HB       ARG  75  15.197   1.166  -1.749
  556   2HB   ARG  75          1HB       ARG  75  16.586   2.073  -1.179
  557   1HG   ARG  75          2HG       ARG  75  17.151   0.282   0.360
  558   2HG   ARG  75          1HG       ARG  75  15.738  -0.632  -0.175
  559   1HD   ARG  75          2HD       ARG  75  16.662  -0.699  -2.449
  560   2HD   ARG  75          1HD       ARG  75  18.078   0.191  -1.895
  561    HE   ARG  75           HE       ARG  75  17.681  -2.584  -1.705
  562   1HH1  ARG  75          1HH1      ARG  75  18.893   0.095   0.170
  563   2HH1  ARG  75          2HH1      ARG  75  19.964  -0.886   1.114
  564   1HH2  ARG  75          1HH2      ARG  75  19.089  -3.879  -0.467
  565   2HH2  ARG  75          2HH2      ARG  75  20.075  -3.143   0.751
  566    H    ILE  76           H        ILE  76  13.324   3.415  -1.048
  567    HA   ILE  76           HA       ILE  76  14.805   5.837  -1.130
  568    HB   ILE  76           HB       ILE  76  11.847   5.434  -1.585
  569   1HG1  ILE  76          2HG1      ILE  76  13.191   4.008  -3.059
  570   2HG1  ILE  76          1HG1      ILE  76  12.430   5.309  -3.969
  571   1HG2  ILE  76          1HG2      ILE  76  13.570   7.613  -2.718
  572   2HG2  ILE  76          2HG2      ILE  76  12.762   7.780  -1.159
  573   3HG2  ILE  76          3HG2      ILE  76  11.810   7.532  -2.624
  574   1HD1  ILE  76          1HD1      ILE  76  15.203   5.691  -2.966
  575   2HD1  ILE  76          2HD1      ILE  76  14.419   6.350  -4.401
  576   3HD1  ILE  76          3HD1      ILE  76  14.928   4.663  -4.370
  577    H    GLU  77           H        GLU  77  11.903   4.798   0.701
  578    HA   GLU  77           HA       GLU  77  11.715   7.169   2.205
  579   1HB   GLU  77          2HB       GLU  77  10.266   5.970   3.717
  580   2HB   GLU  77          1HB       GLU  77   9.871   5.543   2.063
  581   1HG   GLU  77          2HG       GLU  77   9.756   3.530   3.188
  582   2HG   GLU  77          1HG       GLU  77  11.357   3.485   2.453
  583    H    LEU  78           H        LEU  78  13.900   4.537   2.390
  584    HA   LEU  78           HA       LEU  78  14.695   4.882   5.118
  585   1HB   LEU  78          2HB       LEU  78  15.952   3.532   2.739
  586   2HB   LEU  78          1HB       LEU  78  16.805   3.668   4.264
  587    HG   LEU  78           HG       LEU  78  14.147   2.280   3.905
  588   1HD1  LEU  78          1HD1      LEU  78  15.301   0.221   3.954
  589   2HD1  LEU  78          2HD1      LEU  78  16.829   1.001   4.361
  590   3HD1  LEU  78          3HD1      LEU  78  16.131   1.216   2.756
  591   1HD2  LEU  78          1HD2      LEU  78  15.997   1.962   6.233
  592   2HD2  LEU  78          2HD2      LEU  78  14.261   1.665   6.132
  593   3HD2  LEU  78          3HD2      LEU  78  14.871   3.320   6.176
  594    H    GLN  79           H        GLN  79  15.530   6.266   2.046
  595    HA   GLN  79           HA       GLN  79  17.526   7.987   3.353
  596   1HB   GLN  79          2HB       GLN  79  18.459   8.293   1.037
  597   2HB   GLN  79          1HB       GLN  79  18.612   6.668   1.687
  598   1HG   GLN  79          2HG       GLN  79  17.918   6.211  -0.436
  599   2HG   GLN  79          1HG       GLN  79  16.373   6.258   0.409
  600   1HE2  GLN  79          1HE2      GLN  79  17.761   9.321   0.100
  601   2HE2  GLN  79          2HE2      GLN  79  16.852   9.865  -1.263
  602    H    GLN  80           H        GLN  80  14.433   8.061   2.578
  603    HA   GLN  80           HA       GLN  80  14.522  10.861   1.698
  604   1HB   GLN  80          2HB       GLN  80  12.774   8.623   0.757
  605   2HB   GLN  80          1HB       GLN  80  12.099  10.250   0.814
  606   1HG   GLN  80          2HG       GLN  80  14.582   9.420  -0.667
  607   2HG   GLN  80          1HG       GLN  80  12.998   9.717  -1.382
  608   1HE2  GLN  80          1HE2      GLN  80  15.944  11.017  -0.930
  609   2HE2  GLN  80          2HE2      GLN  80  15.553  12.699  -1.005
  610    H    GLY  81           H        GLY  81  13.509   8.649   4.059
  611   1HA   GLY  81          2HA       GLY  81  12.025  10.800   5.413
  612   2HA   GLY  81          1HA       GLY  81  11.347   9.178   5.336
  613    H    ARG  82           H        ARG  82  14.769   9.594   5.624
  614    HA   ARG  82           HA       ARG  82  14.780   9.345   8.510
  615   1HB   ARG  82          2HB       ARG  82  14.405   7.022   7.601
  616   2HB   ARG  82          1HB       ARG  82  15.974   7.141   6.820
  617   1HG   ARG  82          2HG       ARG  82  16.241   5.901   8.832
  618   2HG   ARG  82          1HG       ARG  82  16.995   7.479   9.066
  619   1HD   ARG  82          2HD       ARG  82  14.986   8.250  10.249
  620   2HD   ARG  82          1HD       ARG  82  14.254   6.662  10.030
  621    HE   ARG  82           HE       ARG  82  16.043   7.399  12.068
  622   1HH1  ARG  82          1HH1      ARG  82  15.394   4.761   9.880
  623   2HH1  ARG  82          2HH1      ARG  82  16.085   3.561  10.922
  624   1HH2  ARG  82          1HH2      ARG  82  16.954   5.821  13.440
  625   2HH2  ARG  82          2HH2      ARG  82  16.969   4.162  12.942
  626    H    VAL  83           H        VAL  83  15.867  10.980   6.140
  627    HA   VAL  83           HA       VAL  83  18.707  10.900   6.933
  628    HB   VAL  83           HB       VAL  83  17.530  11.825   4.310
  629   1HG1  VAL  83          1HG1      VAL  83  20.170  11.706   3.849
  630   2HG1  VAL  83          2HG1      VAL  83  20.191  12.183   5.546
  631   3HG1  VAL  83          3HG1      VAL  83  19.347  13.179   4.361
  632   1HG2  VAL  83          1HG2      VAL  83  19.208   9.908   3.599
  633   2HG2  VAL  83          2HG2      VAL  83  17.547   9.556   4.070
  634   3HG2  VAL  83          3HG2      VAL  83  18.856   9.330   5.227
  635    H    ARG  84           H        ARG  84  15.924  12.969   6.305
  636    HA   ARG  84           HA       ARG  84  17.091  15.474   6.459
  637   1HB   ARG  84          2HB       ARG  84  14.893  16.256   7.342
  638   2HB   ARG  84          1HB       ARG  84  14.754  15.245   5.911
  639   1HG   ARG  84          2HG       ARG  84  14.147  13.339   7.297
  640   2HG   ARG  84          1HG       ARG  84  14.323  14.330   8.748
  641   1HD   ARG  84          2HD       ARG  84  11.979  14.126   8.101
  642   2HD   ARG  84          1HD       ARG  84  12.531  15.795   7.971
  643    HE   ARG  84           HE       ARG  84  12.839  14.560   5.479
  644   1HH1  ARG  84          1HH1      ARG  84  10.307  15.599   7.637
  645   2HH1  ARG  84          2HH1      ARG  84   9.160  15.873   6.367
  646   1HH2  ARG  84          1HH2      ARG  84  11.335  14.916   3.800
  647   2HH2  ARG  84          2HH2      ARG  84   9.746  15.484   4.187
  648    H    LYS  85           H        LYS  85  16.270  13.215   8.986
  649    HA   LYS  85           HA       LYS  85  18.176  14.071  10.808
  650   1HB   LYS  85          2HB       LYS  85  16.698  16.109  10.914
  651   2HB   LYS  85          1HB       LYS  85  15.417  15.081  11.543
  652   1HG   LYS  85          2HG       LYS  85  16.780  14.546  13.486
  653   2HG   LYS  85          1HG       LYS  85  18.095  15.534  12.848
  654   1HD   LYS  85          2HD       LYS  85  16.659  17.515  12.961
  655   2HD   LYS  85          1HD       LYS  85  15.344  16.524  13.596
  656   1HE   LYS  85          2HE       LYS  85  16.719  15.961  15.546
  657   2HE   LYS  85          1HE       LYS  85  18.024  16.963  14.911
  658   1HZ   LYS  85          1HZ       LYS  85  16.573  18.889  15.074
  659   2HZ   LYS  85          2HZ       LYS  85  16.741  18.141  16.581
  660   3HZ   LYS  85          3HZ       LYS  85  15.322  17.926  15.685
  661    H    ALA  86           H        ALA  86  17.025  11.728   9.699
  662    HA   ALA  86           HA       ALA  86  16.371   9.626  10.264
  663   1HB   ALA  86          1HB       ALA  86  16.984   8.795  12.412
  664   2HB   ALA  86          2HB       ALA  86  16.957  10.413  13.113
  665   3HB   ALA  86          3HB       ALA  86  18.207   9.978  11.947
  666    H    GLU  87           H        GLU  87  14.252  10.859   9.669
  667    HA   GLU  87           HA       GLU  87  12.074  11.445  10.109
  668   1HB   GLU  87          2HB       GLU  87  10.760   9.539  10.901
  669   2HB   GLU  87          1HB       GLU  87  11.986   9.035   9.746
  670   1HG   GLU  87          2HG       GLU  87  13.395   8.260  11.588
  671   2HG   GLU  87          1HG       GLU  87  12.155   8.754  12.739
  672    H    ARG  88           H        ARG  88  13.623  12.807  11.865
  673    HA   ARG  88           HA       ARG  88  13.210  12.483  14.576
  674   1HB   ARG  88          2HB       ARG  88  14.759  14.125  13.602
  675   2HB   ARG  88          1HB       ARG  88  13.399  15.088  13.050
  676   1HG   ARG  88          2HG       ARG  88  13.677  14.450  15.951
  677   2HG   ARG  88          1HG       ARG  88  14.664  15.719  15.231
  678   1HD   ARG  88          2HD       ARG  88  11.688  15.672  14.856
  679   2HD   ARG  88          1HD       ARG  88  12.406  16.351  16.314
  680    HE   ARG  88           HE       ARG  88  13.115  18.161  15.097
  681   1HH1  ARG  88          1HH1      ARG  88  11.982  15.702  12.894
  682   2HH1  ARG  88          2HH1      ARG  88  12.129  16.714  11.498
  683   1HH2  ARG  88          1HH2      ARG  88  13.300  19.487  13.264
  684   2HH2  ARG  88          2HH2      ARG  88  12.877  18.859  11.707
  685    H    TRP  89           H        TRP  89  11.438  12.356  15.735
  686    HA   TRP  89           HA       TRP  89   9.220  12.430  16.303
  687   1HB   TRP  89          2HB       TRP  89  10.132  14.568  17.163
  688   2HB   TRP  89          1HB       TRP  89   9.665  15.354  15.659
  689    HD1  TRP  89           HD       TRP  89   7.629  16.818  16.139
  690    HE1  TRP  89           1HE      TRP  89   5.426  16.557  17.446
  691    HE3  TRP  89           3HE      TRP  89   8.410  12.173  18.134
  692    HZ2  TRP  89           2HZ      TRP  89   4.187  14.640  19.101
  693    HZ3  TRP  89           3HZ      TRP  89   6.666  11.199  19.569
  694    HH2  TRP  89           HH       TRP  89   4.599  12.409  20.043
  695    H    GLY  90           H        GLY  90   8.671  11.209  14.310
  696   1HA   GLY  90          2HA       GLY  90   6.611  12.652  12.864
  697   2HA   GLY  90          1HA       GLY  90   7.939  12.064  11.877
  698    HA   PRO  91           HA       PRO  91   4.898   8.539  13.355
  699   1HB   PRO  91          2HB       PRO  91   2.498   9.064  12.206
  700   2HB   PRO  91          1HB       PRO  91   2.906   9.593  13.840
  701   1HG   PRO  91          2HG       PRO  91   2.977  11.143  11.280
  702   2HG   PRO  91          1HG       PRO  91   2.349  11.632  12.865
  703   1HD   PRO  91          2HD       PRO  91   4.779  12.405  11.980
  704   2HD   PRO  91          1HD       PRO  91   4.451  12.095  13.697
  705    H    ARG  92           H        ARG  92   6.662   8.108  11.582
  706    HA   ARG  92           HA       ARG  92   7.229   7.060   9.646
  707   1HB   ARG  92          2HB       ARG  92   4.269   6.468   9.652
  708   2HB   ARG  92          1HB       ARG  92   5.359   5.845   8.423
  709   1HG   ARG  92          2HG       ARG  92   4.984   4.162  10.094
  710   2HG   ARG  92          1HG       ARG  92   6.656   4.711  10.188
  711   1HD   ARG  92          2HD       ARG  92   6.099   6.126  12.090
  712   2HD   ARG  92          1HD       ARG  92   4.410   5.635  11.979
  713    HE   ARG  92           HE       ARG  92   6.467   4.245  13.303
  714   1HH1  ARG  92          1HH1      ARG  92   3.706   3.671  11.251
  715   2HH1  ARG  92          2HH1      ARG  92   3.430   2.072  11.853
  716   1HH2  ARG  92          1HH2      ARG  92   6.109   2.138  14.097
  717   2HH2  ARG  92          2HH2      ARG  92   4.796   1.201  13.470
  718    H    THR  93           H        THR  93   6.911   7.133   7.201
  719    HA   THR  93           HA       THR  93   5.507   9.534   6.297
  720    HB   THR  93           HB       THR  93   7.502  10.374   5.151
  721    HG1  THR  93           1HG      THR  93   8.441   7.980   5.586
  722   1HG2  THR  93          1HG2      THR  93   8.397   9.939   7.966
  723   2HG2  THR  93          2HG2      THR  93   7.025  10.984   7.598
  724   3HG2  THR  93          3HG2      THR  93   8.616  11.347   6.927
  725    H    LEU  94           H        LEU  94   6.998   6.458   5.690
  726    HA   LEU  94           HA       LEU  94   5.427   6.196   3.277
  727   1HB   LEU  94          2HB       LEU  94   7.726   7.331   2.801
  728   2HB   LEU  94          1HB       LEU  94   8.367   5.718   3.015
  729    HG   LEU  94           HG       LEU  94   7.031   4.898   1.155
  730   1HD1  LEU  94          1HD1      LEU  94   5.862   6.640  -0.271
  731   2HD1  LEU  94          2HD1      LEU  94   5.947   7.697   1.139
  732   3HD1  LEU  94          3HD1      LEU  94   5.060   6.175   1.229
  733   1HD2  LEU  94          1HD2      LEU  94   8.715   5.495  -0.158
  734   2HD2  LEU  94          2HD2      LEU  94   9.166   6.728   1.018
  735   3HD2  LEU  94          3HD2      LEU  94   8.062   7.126  -0.298
  736    H    ASP  95           H        ASP  95   4.575   4.239   3.332
  737    HA   ASP  95           HA       ASP  95   6.190   1.958   4.219
  738   1HB   ASP  95          2HB       ASP  95   4.826   2.678   6.155
  739   2HB   ASP  95          1HB       ASP  95   3.370   2.515   5.178
  740    H    LEU  96           H        LEU  96   6.156   0.469   2.652
  741    HA   LEU  96           HA       LEU  96   3.710   0.223   1.040
  742   1HB   LEU  96          2HB       LEU  96   5.543  -0.457  -0.787
  743   2HB   LEU  96          1HB       LEU  96   4.907   1.162  -0.606
  744    HG   LEU  96           HG       LEU  96   7.382   1.034  -0.903
  745   1HD1  LEU  96          1HD1      LEU  96   6.050   2.863   0.368
  746   2HD1  LEU  96          2HD1      LEU  96   7.812   2.838   0.451
  747   3HD1  LEU  96          3HD1      LEU  96   6.857   2.199   1.789
  748   1HD2  LEU  96          1HD2      LEU  96   7.451  -0.011   1.915
  749   2HD2  LEU  96          2HD2      LEU  96   8.805   0.246   0.816
  750   3HD2  LEU  96          3HD2      LEU  96   7.642  -1.038   0.494
  751    H    ASP  97           H        ASP  97   2.943  -1.728   0.694
  752    HA   ASP  97           HA       ASP  97   4.631  -4.092   0.861
  753   1HB   ASP  97          2HB       ASP  97   2.248  -3.701   2.692
  754   2HB   ASP  97          1HB       ASP  97   3.130  -5.211   2.487
  755    H    ILE  98           H        ILE  98   4.012  -5.582  -0.594
  756    HA   ILE  98           HA       ILE  98   1.708  -4.997  -2.223
  757    HB   ILE  98           HB       ILE  98   4.132  -6.514  -2.530
  758   1HG1  ILE  98          2HG1      ILE  98   2.106  -5.422  -4.458
  759   2HG1  ILE  98          1HG1      ILE  98   3.573  -4.626  -3.907
  760   1HG2  ILE  98          1HG2      ILE  98   1.669  -7.829  -3.639
  761   2HG2  ILE  98          2HG2      ILE  98   2.645  -8.454  -2.309
  762   3HG2  ILE  98          3HG2      ILE  98   3.341  -8.314  -3.923
  763   1HD1  ILE  98          1HD1      ILE  98   4.828  -6.569  -4.953
  764   2HD1  ILE  98          2HD1      ILE  98   4.064  -5.415  -6.047
  765   3HD1  ILE  98          3HD1      ILE  98   3.303  -6.977  -5.740
  766    H    MET  99           H        MET  99  -0.206  -5.913  -2.175
  767    HA   MET  99           HA       MET  99  -0.766  -7.956  -0.200
  768   1HB   MET  99          2HB       MET  99  -2.475  -6.209  -1.950
  769   2HB   MET  99          1HB       MET  99  -3.158  -7.563  -1.068
  770   1HG   MET  99          2HG       MET  99  -3.504  -5.543   0.164
  771   2HG   MET  99          1HG       MET  99  -2.362  -6.566   1.030
  772   1HE   MET  99          1HE       MET  99  -2.552  -3.163   1.648
  773   2HE   MET  99          2HE       MET  99  -0.880  -3.351   2.178
  774   3HE   MET  99          3HE       MET  99  -2.048  -4.642   2.468
  775    H    LEU 100           H        LEU 100  -0.367  -7.661  -3.656
  776    HA   LEU 100           HA       LEU 100  -0.866 -10.543  -3.883
  777   1HB   LEU 100          2HB       LEU 100  -2.222  -8.440  -5.537
  778   2HB   LEU 100          1HB       LEU 100  -2.021 -10.080  -6.115
  779    HG   LEU 100           HG       LEU 100  -3.208 -10.729  -3.884
  780   1HD1  LEU 100          1HD1      LEU 100  -3.442  -8.794  -2.674
  781   2HD1  LEU 100          2HD1      LEU 100  -4.994  -8.857  -3.510
  782   3HD1  LEU 100          3HD1      LEU 100  -3.714  -7.803  -4.108
  783   1HD2  LEU 100          1HD2      LEU 100  -4.933 -11.206  -5.214
  784   2HD2  LEU 100          2HD2      LEU 100  -3.979 -10.459  -6.495
  785   3HD2  LEU 100          3HD2      LEU 100  -5.192  -9.514  -5.634
  786    H    PHE 101           H        PHE 101  -0.064 -11.524  -5.848
  787    HA   PHE 101           HA       PHE 101   2.015  -9.957  -7.219
  788   1HB   PHE 101          2HB       PHE 101   3.058 -11.338  -5.435
  789   2HB   PHE 101          1HB       PHE 101   2.375 -12.778  -6.180
  790    HD1  PHE 101           1HD      PHE 101   4.003 -14.036  -7.195
  791    HD2  PHE 101           2HD      PHE 101   4.190  -9.795  -7.494
  792    HE1  PHE 101           1HE      PHE 101   5.993 -14.229  -8.628
  793    HE2  PHE 101           2HE      PHE 101   6.180  -9.979  -8.929
  794    HZ   PHE 101           HZ       PHE 101   7.078 -12.213  -9.504
  795    H    GLY 102           H        GLY 102   0.323  -9.855  -8.861
  796   1HA   GLY 102          2HA       GLY 102  -0.167 -10.503 -11.049
  797   2HA   GLY 102          1HA       GLY 102   0.534 -12.081 -10.714
  798    H    ASN 103           H        ASN 103  -0.976 -12.470  -8.307
  799    HA   ASN 103           HA       ASN 103  -3.266 -12.668  -7.591
  800   1HB   ASN 103          2HB       ASN 103  -3.747 -13.027 -10.543
  801   2HB   ASN 103          1HB       ASN 103  -4.877 -13.674  -9.360
  802   1HD2  ASN 103          1HD2      ASN 103  -6.478 -12.423  -8.841
  803   2HD2  ASN 103          2HD2      ASN 103  -6.505 -10.701  -8.925
  804    H    GLU 104           H        GLU 104  -0.760 -14.155  -8.249
  805    HA   GLU 104           HA       GLU 104  -1.540 -16.907  -8.542
  806   1HB   GLU 104          2HB       GLU 104   0.624 -15.904  -9.348
  807   2HB   GLU 104          1HB       GLU 104   1.090 -15.690  -7.670
  808   1HG   GLU 104          2HG       GLU 104   2.126 -17.647  -8.619
  809   2HG   GLU 104          1HG       GLU 104   1.020 -18.081  -7.320
  810    H    VAL 105           H        VAL 105  -0.487 -18.423  -6.699
  811    HA   VAL 105           HA       VAL 105  -1.450 -17.292  -4.161
  812    HB   VAL 105           HB       VAL 105  -1.766 -19.622  -3.373
  813   1HG1  VAL 105          1HG1      VAL 105  -3.652 -20.174  -5.033
  814   2HG1  VAL 105          2HG1      VAL 105  -3.191 -18.671  -5.831
  815   3HG1  VAL 105          3HG1      VAL 105  -3.732 -18.650  -4.152
  816   1HG2  VAL 105          1HG2      VAL 105  -0.270 -20.943  -4.574
  817   2HG2  VAL 105          2HG2      VAL 105  -0.773 -20.272  -6.126
  818   3HG2  VAL 105          3HG2      VAL 105  -1.838 -21.376  -5.258
  819    H    ILE 106           H        ILE 106   0.467 -16.279  -3.698
  820    HA   ILE 106           HA       ILE 106   2.695 -18.063  -2.988
  821    HB   ILE 106           HB       ILE 106   3.296 -16.756  -4.903
  822   1HG1  ILE 106          2HG1      ILE 106   4.572 -15.543  -2.443
  823   2HG1  ILE 106          1HG1      ILE 106   5.050 -17.060  -3.207
  824   1HG2  ILE 106          1HG2      ILE 106   3.341 -14.097  -4.030
  825   2HG2  ILE 106          2HG2      ILE 106   1.748 -14.725  -3.610
  826   3HG2  ILE 106          3HG2      ILE 106   2.318 -14.811  -5.277
  827   1HD1  ILE 106          1HD1      ILE 106   6.010 -14.512  -3.768
  828   2HD1  ILE 106          2HD1      ILE 106   4.972 -14.933  -5.133
  829   3HD1  ILE 106          3HD1      ILE 106   6.310 -15.994  -4.679
  830    H    ASN 107           H        ASN 107   2.492 -18.289  -0.841
  831    HA   ASN 107           HA       ASN 107   2.173 -15.861   0.794
  832   1HB   ASN 107          2HB       ASN 107   1.458 -18.735   1.399
  833   2HB   ASN 107          1HB       ASN 107   1.396 -17.435   2.588
  834   1HD2  ASN 107          1HD2      ASN 107   0.611 -15.966  -0.191
  835   2HD2  ASN 107          2HD2      ASN 107  -1.102 -16.147  -0.153
  836    H    THR 108           H        THR 108   4.032 -15.177   1.608
  837    HA   THR 108           HA       THR 108   5.857 -17.140   2.792
  838    HB   THR 108           HB       THR 108   7.792 -15.806   1.906
  839    HG1  THR 108           1HG      THR 108   5.762 -14.292   0.961
  840   1HG2  THR 108          1HG2      THR 108   7.993 -17.031   0.020
  841   2HG2  THR 108          2HG2      THR 108   6.350 -16.686  -0.517
  842   3HG2  THR 108          3HG2      THR 108   6.631 -17.887   0.744
  843    H    GLU 109           H        GLU 109   6.254 -13.647   2.328
  844    HA   GLU 109           HA       GLU 109   5.355 -12.917   4.911
  845   1HB   GLU 109          2HB       GLU 109   7.546 -12.318   5.898
  846   2HB   GLU 109          1HB       GLU 109   7.354 -14.053   5.680
  847   1HG   GLU 109          2HG       GLU 109   8.717 -13.952   3.657
  848   2HG   GLU 109          1HG       GLU 109   8.907 -12.212   3.872
  849    H    ARG 110           H        ARG 110   7.407 -12.166   2.149
  850    HA   ARG 110           HA       ARG 110   7.064  -9.310   2.577
  851   1HB   ARG 110          2HB       ARG 110   8.538 -10.867   0.456
  852   2HB   ARG 110          1HB       ARG 110   8.375  -9.118   0.423
  853   1HG   ARG 110          2HG       ARG 110   9.785 -10.770   2.504
  854   2HG   ARG 110          1HG       ARG 110  10.507  -9.674   1.324
  855   1HD   ARG 110          2HD       ARG 110   9.399  -7.780   2.379
  856   2HD   ARG 110          1HD       ARG 110   8.630  -8.860   3.539
  857    HE   ARG 110           HE       ARG 110  10.527  -8.711   4.775
  858   1HH1  ARG 110          1HH1      ARG 110  11.390  -8.181   1.436
  859   2HH1  ARG 110          2HH1      ARG 110  13.068  -7.927   1.780
  860   1HH2  ARG 110          1HH2      ARG 110  12.733  -8.375   5.228
  861   2HH2  ARG 110          2HH2      ARG 110  13.831  -8.035   3.932
  862    H    LEU 111           H        LEU 111   5.609 -11.889   0.862
  863    HA   LEU 111           HA       LEU 111   3.639 -10.049  -0.147
  864   1HB   LEU 111          2HB       LEU 111   3.860 -10.419  -2.415
  865   2HB   LEU 111          1HB       LEU 111   5.511 -10.222  -1.872
  866    HG   LEU 111           HG       LEU 111   4.189 -12.882  -2.436
  867   1HD1  LEU 111          1HD1      LEU 111   4.715 -12.613  -4.571
  868   2HD1  LEU 111          2HD1      LEU 111   6.383 -12.218  -4.151
  869   3HD1  LEU 111          3HD1      LEU 111   5.165 -10.943  -4.218
  870   1HD2  LEU 111          1HD2      LEU 111   6.411 -13.810  -2.217
  871   2HD2  LEU 111          2HD2      LEU 111   5.993 -12.943  -0.739
  872   3HD2  LEU 111          3HD2      LEU 111   7.087 -12.210  -1.911
  873    H    THR 112           H        THR 112   1.821 -10.871   0.399
  874    HA   THR 112           HA       THR 112   1.342 -13.745   0.038
  875    HB   THR 112           HB       THR 112   1.470 -13.393   2.403
  876    HG1  THR 112           1HG      THR 112  -1.011 -13.781   1.265
  877   1HG2  THR 112          1HG2      THR 112   1.245 -10.964   2.469
  878   2HG2  THR 112          2HG2      THR 112   0.177 -11.760   3.623
  879   3HG2  THR 112          3HG2      THR 112  -0.475 -11.116   2.116
  880    H    VAL 113           H        VAL 113   0.096 -13.814  -1.757
  881    HA   VAL 113           HA       VAL 113  -1.373 -11.670  -2.745
  882    HB   VAL 113           HB       VAL 113  -1.533 -14.612  -3.363
  883   1HG1  VAL 113          1HG1      VAL 113  -3.497 -14.222  -4.370
  884   2HG1  VAL 113          2HG1      VAL 113  -2.602 -13.231  -5.522
  885   3HG1  VAL 113          3HG1      VAL 113  -3.361 -12.483  -4.118
  886   1HG2  VAL 113          1HG2      VAL 113  -0.557 -13.588  -5.552
  887   2HG2  VAL 113          2HG2      VAL 113   0.481 -13.871  -4.156
  888   3HG2  VAL 113          3HG2      VAL 113  -0.120 -12.247  -4.492
  889    HA   PRO 114           HA       PRO 114  -5.467 -13.789  -1.045
  890   1HB   PRO 114          2HB       PRO 114  -4.132 -15.362   1.107
  891   2HB   PRO 114          1HB       PRO 114  -5.570 -15.740   0.174
  892   1HG   PRO 114          2HG       PRO 114  -3.276 -16.979  -0.325
  893   2HG   PRO 114          1HG       PRO 114  -4.383 -16.525  -1.636
  894   1HD   PRO 114          2HD       PRO 114  -1.813 -15.274  -0.809
  895   2HD   PRO 114          1HD       PRO 114  -2.542 -15.424  -2.422
  896    H    HIS 115           H        HIS 115  -2.538 -13.238   0.728
  897    HA   HIS 115           HA       HIS 115  -1.919 -11.931   2.459
  898   1HB   HIS 115          2HB       HIS 115  -2.568 -10.302   0.644
  899   2HB   HIS 115          1HB       HIS 115  -4.091 -10.081   1.498
  900    HD1  HIS 115           1HD      HIS 115  -3.548  -9.493   4.240
  901    HD2  HIS 115           2HD      HIS 115  -0.807  -8.393   1.320
  902    HE1  HIS 115           1HE      HIS 115  -2.153  -7.676   5.276
  903    HE2  HIS 115           2HE      HIS 115  -0.427  -7.110   3.532
  904    H    TYR 116           H        TYR 116  -2.279 -12.628   4.442
  905    HA   TYR 116           HA       TYR 116  -5.006 -12.602   5.500
  906   1HB   TYR 116          2HB       TYR 116  -2.413 -13.663   6.654
  907   2HB   TYR 116          1HB       TYR 116  -3.960 -13.721   7.488
  908    HD1  TYR 116           1HD      TYR 116  -3.017 -14.497   3.946
  909    HD2  TYR 116           2HD      TYR 116  -4.625 -15.925   7.618
  910    HE1  TYR 116           1HE      TYR 116  -3.504 -16.661   2.886
  911    HE2  TYR 116           2HE      TYR 116  -5.115 -18.092   6.566
  912    HH   TYR 116           HH       TYR 116  -3.823 -19.048   3.633
  913    H    ASP 117           H        ASP 117  -5.489 -10.541   5.894
  914    HA   ASP 117           HA       ASP 117  -5.199  -9.178   8.109
  915   1HB   ASP 117          2HB       ASP 117  -2.622  -8.906   6.659
  916   2HB   ASP 117          1HB       ASP 117  -3.297  -7.429   7.338
  917    H    MET 118           H        MET 118  -4.620  -8.595   4.646
  918    HA   MET 118           HA       MET 118  -5.567  -6.027   4.379
  919   1HB   MET 118          2HB       MET 118  -6.311  -6.679   2.073
  920   2HB   MET 118          1HB       MET 118  -4.670  -7.204   2.438
  921   1HG   MET 118          2HG       MET 118  -5.253  -9.419   2.494
  922   2HG   MET 118          1HG       MET 118  -6.917  -9.084   2.966
  923   1HE   MET 118          1HE       MET 118  -5.345  -8.457  -1.329
  924   2HE   MET 118          2HE       MET 118  -4.324  -8.951   0.022
  925   3HE   MET 118          3HE       MET 118  -5.015  -7.330  -0.014
  926    H    LYS 119           H        LYS 119  -7.400  -9.005   4.632
  927    HA   LYS 119           HA       LYS 119  -9.966  -7.958   4.141
  928   1HB   LYS 119          2HB       LYS 119 -10.763 -10.041   5.198
  929   2HB   LYS 119          1HB       LYS 119  -9.500 -10.330   4.011
  930   1HG   LYS 119          2HG       LYS 119  -7.858 -10.551   5.808
  931   2HG   LYS 119          1HG       LYS 119  -9.128 -10.265   6.999
  932   1HD   LYS 119          2HD       LYS 119  -9.060 -12.553   5.030
  933   2HD   LYS 119          1HD       LYS 119  -8.615 -12.660   6.735
  934   1HE   LYS 119          2HE       LYS 119 -11.330 -11.901   5.656
  935   2HE   LYS 119          1HE       LYS 119 -10.894 -13.463   6.350
  936   1HZ   LYS 119          1HZ       LYS 119 -11.450 -10.939   7.671
  937   2HZ   LYS 119          2HZ       LYS 119 -10.163 -11.829   8.315
  938   3HZ   LYS 119          3HZ       LYS 119 -11.703 -12.524   8.210
  939    H    ASN 120           H        ASN 120  -8.090  -6.785   6.393
  940    HA   ASN 120           HA       ASN 120 -10.120  -6.753   8.508
  941   1HB   ASN 120          2HB       ASN 120  -7.140  -6.369   8.568
  942   2HB   ASN 120          1HB       ASN 120  -8.164  -5.890   9.913
  943   1HD2  ASN 120          1HD2      ASN 120  -6.219  -8.247   8.882
  944   2HD2  ASN 120          2HD2      ASN 120  -6.917  -9.611   9.682
  945    H    ARG 121           H        ARG 121  -8.881  -4.772   6.039
  946    HA   ARG 121           HA       ARG 121 -10.297  -2.536   7.176
  947   1HB   ARG 121          2HB       ARG 121  -8.171  -1.057   6.821
  948   2HB   ARG 121          1HB       ARG 121  -8.432  -1.927   8.323
  949   1HG   ARG 121          2HG       ARG 121  -6.151  -2.190   7.698
  950   2HG   ARG 121          1HG       ARG 121  -6.960  -3.736   7.458
  951   1HD   ARG 121          2HD       ARG 121  -6.943  -3.516   5.132
  952   2HD   ARG 121          1HD       ARG 121  -6.642  -1.780   5.209
  953    HE   ARG 121           HE       ARG 121  -4.433  -2.290   5.115
  954   1HH1  ARG 121          1HH1      ARG 121  -6.044  -4.935   6.718
  955   2HH1  ARG 121          2HH1      ARG 121  -4.590  -5.850   6.934
  956   1HH2  ARG 121          1HH2      ARG 121  -2.524  -3.490   5.397
  957   2HH2  ARG 121          2HH2      ARG 121  -2.593  -5.031   6.185
  958    H    GLY 122           H        GLY 122 -10.909  -0.974   5.814
  959   1HA   GLY 122          2HA       GLY 122 -10.922  -1.592   2.989
  960   2HA   GLY 122          1HA       GLY 122 -11.697  -0.230   3.793
  961    H    PHE 123           H        PHE 123  -8.734   0.134   4.981
  962    HA   PHE 123           HA       PHE 123  -8.114   2.123   3.002
  963   1HB   PHE 123          2HB       PHE 123  -6.298   2.839   4.451
  964   2HB   PHE 123          1HB       PHE 123  -7.800   2.692   5.340
  965    HD1  PHE 123           1HD      PHE 123  -4.754   0.703   4.543
  966    HD2  PHE 123           2HD      PHE 123  -7.716   1.700   7.430
  967    HE1  PHE 123           1HE      PHE 123  -3.634  -0.743   6.187
  968    HE2  PHE 123           2HE      PHE 123  -6.594   0.267   9.082
  969    HZ   PHE 123           HZ       PHE 123  -4.452  -0.724   8.585
  970    H    MET 124           H        MET 124  -8.040  -0.591   2.193
  971    HA   MET 124           HA       MET 124  -5.613  -0.539   0.682
  972   1HB   MET 124          2HB       MET 124  -6.098  -2.798   2.643
  973   2HB   MET 124          1HB       MET 124  -4.958  -2.885   1.310
  974   1HG   MET 124          2HG       MET 124  -4.834  -0.967   3.623
  975   2HG   MET 124          1HG       MET 124  -3.838  -2.403   3.406
  976   1HE   MET 124          1HE       MET 124  -2.352   1.005   3.485
  977   2HE   MET 124          2HE       MET 124  -1.081  -0.112   2.987
  978   3HE   MET 124          3HE       MET 124  -2.284  -0.618   4.174
  979    H    LEU 125           H        LEU 125  -8.421  -2.351   1.772
  980    HA   LEU 125           HA       LEU 125  -8.734  -3.881  -0.597
  981   1HB   LEU 125          2HB       LEU 125 -10.845  -3.264   1.450
  982   2HB   LEU 125          1HB       LEU 125 -10.778  -4.639   0.368
  983    HG   LEU 125           HG       LEU 125  -9.004  -4.109   2.746
  984   1HD1  LEU 125          1HD1      LEU 125 -10.961  -6.322   2.163
  985   2HD1  LEU 125          2HD1      LEU 125 -11.238  -4.964   3.254
  986   3HD1  LEU 125          3HD1      LEU 125  -9.984  -6.147   3.620
  987   1HD2  LEU 125          1HD2      LEU 125  -8.808  -6.668   1.289
  988   2HD2  LEU 125          2HD2      LEU 125  -7.571  -5.746   2.142
  989   3HD2  LEU 125          3HD2      LEU 125  -8.065  -5.265   0.519
  990    H    TRP 126           H        TRP 126 -10.333  -0.982   0.643
  991    HA   TRP 126           HA       TRP 126 -12.240  -0.701  -1.373
  992   1HB   TRP 126          2HB       TRP 126 -12.494   0.601   0.635
  993   2HB   TRP 126          1HB       TRP 126 -10.951   1.418   0.361
  994    HD1  TRP 126           HD       TRP 126 -14.501   1.238  -1.010
  995    HE1  TRP 126           1HE      TRP 126 -14.995   3.354  -2.383
  996    HE3  TRP 126           3HE      TRP 126  -9.864   3.326  -0.901
  997    HZ2  TRP 126           2HZ      TRP 126 -13.585   5.612  -3.300
  998    HZ3  TRP 126           3HZ      TRP 126  -9.511   5.468  -2.057
  999    HH2  TRP 126           HH       TRP 126 -11.332   6.584  -3.230
 1000    HA   PRO 127           HA       PRO 127  -9.119   2.472  -3.452
 1001   1HB   PRO 127          2HB       PRO 127  -6.499   1.639  -3.113
 1002   2HB   PRO 127          1HB       PRO 127  -7.274   2.957  -2.229
 1003   1HG   PRO 127          2HG       PRO 127  -6.898   0.102  -1.414
 1004   2HG   PRO 127          1HG       PRO 127  -6.658   1.579  -0.461
 1005   1HD   PRO 127          2HD       PRO 127  -8.864   0.150  -0.141
 1006   2HD   PRO 127          1HD       PRO 127  -8.960   1.925  -0.200
 1007    H    LEU 128           H        LEU 128  -7.973  -0.868  -3.022
 1008    HA   LEU 128           HA       LEU 128  -7.202  -1.254  -5.716
 1009   1HB   LEU 128          2HB       LEU 128  -6.485  -2.707  -3.860
 1010   2HB   LEU 128          1HB       LEU 128  -8.131  -3.252  -3.654
 1011    HG   LEU 128           HG       LEU 128  -6.528  -4.798  -4.905
 1012   1HD1  LEU 128          1HD1      LEU 128  -9.147  -4.700  -4.870
 1013   2HD1  LEU 128          2HD1      LEU 128  -8.278  -5.813  -5.928
 1014   3HD1  LEU 128          3HD1      LEU 128  -8.917  -4.302  -6.573
 1015   1HD2  LEU 128          1HD2      LEU 128  -7.214  -3.339  -7.374
 1016   2HD2  LEU 128          2HD2      LEU 128  -5.818  -4.351  -7.005
 1017   3HD2  LEU 128          3HD2      LEU 128  -5.895  -2.697  -6.395
 1018    H    PHE 129           H        PHE 129 -10.217  -1.569  -3.986
 1019    HA   PHE 129           HA       PHE 129 -11.632  -2.991  -5.978
 1020   1HB   PHE 129          2HB       PHE 129 -12.412  -2.896  -3.670
 1021   2HB   PHE 129          1HB       PHE 129 -12.625  -1.161  -3.786
 1022    HD1  PHE 129           1HD      PHE 129 -14.420  -0.260  -5.302
 1023    HD2  PHE 129           2HD      PHE 129 -14.079  -4.402  -4.346
 1024    HE1  PHE 129           1HE      PHE 129 -16.740  -0.614  -6.037
 1025    HE2  PHE 129           2HE      PHE 129 -16.395  -4.759  -5.106
 1026    HZ   PHE 129           HZ       PHE 129 -17.729  -2.866  -5.945
 1027    H    GLU 130           H        GLU 130 -10.499   0.188  -5.746
 1028    HA   GLU 130           HA       GLU 130 -12.413   1.173  -7.725
 1029   1HB   GLU 130          2HB       GLU 130 -10.351   2.630  -6.074
 1030   2HB   GLU 130          1HB       GLU 130 -11.397   3.396  -7.260
 1031   1HG   GLU 130          2HG       GLU 130 -12.351   1.916  -4.819
 1032   2HG   GLU 130          1HG       GLU 130 -12.185   3.666  -4.943
 1033    H    ILE 131           H        ILE 131  -9.081   0.155  -7.398
 1034    HA   ILE 131           HA       ILE 131  -8.463   1.301 -10.035
 1035    HB   ILE 131           HB       ILE 131  -6.152   0.703  -9.634
 1036   1HG1  ILE 131          2HG1      ILE 131  -7.018  -0.394  -6.952
 1037   2HG1  ILE 131          1HG1      ILE 131  -6.690  -1.403  -8.358
 1038   1HG2  ILE 131          1HG2      ILE 131  -6.639   2.819  -8.786
 1039   2HG2  ILE 131          2HG2      ILE 131  -5.809   2.012  -7.455
 1040   3HG2  ILE 131          3HG2      ILE 131  -7.566   2.168  -7.434
 1041   1HD1  ILE 131          1HD1      ILE 131  -4.665   0.489  -7.203
 1042   2HD1  ILE 131          2HD1      ILE 131  -4.403  -0.818  -8.357
 1043   3HD1  ILE 131          3HD1      ILE 131  -4.828  -1.189  -6.685
 1044    H    ALA 132           H        ALA 132  -9.644  -1.484  -8.668
 1045    HA   ALA 132           HA       ALA 132  -9.666  -2.928 -11.087
 1046   1HB   ALA 132          1HB       ALA 132  -8.200  -4.780 -10.538
 1047   2HB   ALA 132          2HB       ALA 132  -7.769  -4.017  -9.008
 1048   3HB   ALA 132          3HB       ALA 132  -7.290  -3.270 -10.531
 1049    HA   PRO 133           HA       PRO 133 -12.693  -4.186  -7.750
 1050   1HB   PRO 133          2HB       PRO 133 -14.945  -3.592  -9.116
 1051   2HB   PRO 133          1HB       PRO 133 -14.065  -2.377  -8.185
 1052   1HG   PRO 133          2HG       PRO 133 -14.038  -2.890 -11.132
 1053   2HG   PRO 133          1HG       PRO 133 -14.086  -1.345 -10.266
 1054   1HD   PRO 133          2HD       PRO 133 -11.807  -2.394 -11.336
 1055   2HD   PRO 133          1HD       PRO 133 -11.817  -1.327  -9.918
 1056    H    GLU 134           H        GLU 134 -11.298  -5.701  -9.913
 1057    HA   GLU 134           HA       GLU 134 -13.384  -7.715 -10.351
 1058   1HB   GLU 134          2HB       GLU 134 -11.381  -6.771 -12.410
 1059   2HB   GLU 134          1HB       GLU 134 -12.428  -8.171 -12.602
 1060   1HG   GLU 134          2HG       GLU 134 -13.386  -5.342 -12.218
 1061   2HG   GLU 134          1HG       GLU 134 -13.249  -6.164 -13.770
 1062    H    LEU 135           H        LEU 135 -10.612  -7.065  -8.835
 1063    HA   LEU 135           HA       LEU 135  -8.753  -9.006  -9.443
 1064   1HB   LEU 135          2HB       LEU 135  -8.575  -7.214  -7.688
 1065   2HB   LEU 135          1HB       LEU 135  -9.568  -8.217  -6.647
 1066    HG   LEU 135           HG       LEU 135  -7.768 -10.023  -6.999
 1067   1HD1  LEU 135          1HD1      LEU 135  -5.877  -9.546  -8.074
 1068   2HD1  LEU 135          2HD1      LEU 135  -5.740  -7.962  -7.310
 1069   3HD1  LEU 135          3HD1      LEU 135  -6.747  -8.165  -8.744
 1070   1HD2  LEU 135          1HD2      LEU 135  -7.987  -7.807  -5.193
 1071   2HD2  LEU 135          2HD2      LEU 135  -6.295  -8.254  -5.411
 1072   3HD2  LEU 135          3HD2      LEU 135  -7.465  -9.464  -4.880
 1073    H    VAL 136           H        VAL 136 -10.913  -9.403  -6.659
 1074    HA   VAL 136           HA       VAL 136 -11.373 -11.443  -5.593
 1075    HB   VAL 136           HB       VAL 136 -13.440 -10.617  -6.457
 1076   1HG1  VAL 136          1HG1      VAL 136 -13.838 -12.011  -8.871
 1077   2HG1  VAL 136          2HG1      VAL 136 -12.279 -11.198  -9.001
 1078   3HG1  VAL 136          3HG1      VAL 136 -13.730 -10.268  -8.625
 1079   1HG2  VAL 136          1HG2      VAL 136 -13.662 -13.436  -7.345
 1080   2HG2  VAL 136          2HG2      VAL 136 -14.659 -12.522  -6.215
 1081   3HG2  VAL 136          3HG2      VAL 136 -13.088 -13.140  -5.704
 1082    H    PHE 137           H        PHE 137  -9.578 -12.765  -5.663
 1083    HA   PHE 137           HA       PHE 137  -9.887 -15.187  -7.085
 1084   1HB   PHE 137          2HB       PHE 137  -9.057 -13.696  -8.912
 1085   2HB   PHE 137          1HB       PHE 137  -7.554 -13.525  -8.017
 1086    HD1  PHE 137           1HD      PHE 137  -5.910 -14.637  -9.194
 1087    HD2  PHE 137           2HD      PHE 137  -9.700 -16.498  -8.675
 1088    HE1  PHE 137           1HE      PHE 137  -5.044 -16.683 -10.251
 1089    HE2  PHE 137           2HE      PHE 137  -8.842 -18.548  -9.730
 1090    HZ   PHE 137           HZ       PHE 137  -6.512 -18.634 -10.534
 1091    HA   PRO 138           HA       PRO 138  -5.474 -14.864  -4.641
 1092   1HB   PRO 138          2HB       PRO 138  -6.318 -13.243  -2.434
 1093   2HB   PRO 138          1HB       PRO 138  -5.012 -12.920  -3.572
 1094   1HG   PRO 138          2HG       PRO 138  -7.799 -11.919  -3.566
 1095   2HG   PRO 138          1HG       PRO 138  -6.334 -11.175  -4.229
 1096   1HD   PRO 138          2HD       PRO 138  -8.191 -12.224  -5.836
 1097   2HD   PRO 138          1HD       PRO 138  -6.459 -12.402  -6.205
 1098    H    ASP 139           H        ASP 139  -8.491 -14.207  -2.931
 1099    HA   ASP 139           HA       ASP 139  -8.327 -16.853  -1.654
 1100   1HB   ASP 139          2HB       ASP 139  -9.579 -15.863   0.253
 1101   2HB   ASP 139          1HB       ASP 139  -8.001 -15.119   0.016
 1102    H    GLY 140           H        GLY 140 -10.010 -14.828  -3.741
 1103   1HA   GLY 140          2HA       GLY 140 -11.777 -15.764  -5.087
 1104   2HA   GLY 140          1HA       GLY 140 -12.340 -16.631  -3.666
 1105    H    GLU 141           H        GLU 141 -11.389 -13.313  -3.372
 1106    HA   GLU 141           HA       GLU 141 -14.056 -12.260  -3.765
 1107   1HB   GLU 141          2HB       GLU 141 -12.818 -12.341  -1.008
 1108   2HB   GLU 141          1HB       GLU 141 -14.176 -11.318  -1.444
 1109   1HG   GLU 141          2HG       GLU 141 -15.501 -13.301  -1.947
 1110   2HG   GLU 141          1HG       GLU 141 -14.135 -14.316  -1.495
 1111    H    MET 142           H        MET 142 -13.951 -10.152  -4.374
 1112    HA   MET 142           HA       MET 142 -11.500  -8.851  -4.778
 1113   1HB   MET 142          2HB       MET 142 -14.103  -7.403  -4.305
 1114   2HB   MET 142          1HB       MET 142 -12.729  -6.871  -5.263
 1115   1HG   MET 142          2HG       MET 142 -13.166  -8.540  -6.920
 1116   2HG   MET 142          1HG       MET 142 -14.446  -9.231  -5.929
 1117   1HE   MET 142          1HE       MET 142 -14.912  -8.845  -8.700
 1118   2HE   MET 142          2HE       MET 142 -16.099  -7.613  -9.123
 1119   3HE   MET 142          3HE       MET 142 -16.517  -8.881  -7.972
 1120    H    LEU 143           H        LEU 143 -10.444  -7.246  -3.525
 1121    HA   LEU 143           HA       LEU 143 -10.194  -7.695  -0.858
 1122   1HB   LEU 143          2HB       LEU 143 -10.026  -4.919  -1.981
 1123   2HB   LEU 143          1HB       LEU 143  -9.125  -5.594  -0.643
 1124    HG   LEU 143           HG       LEU 143  -8.707  -5.908  -3.561
 1125   1HD1  LEU 143          1HD1      LEU 143  -6.507  -5.272  -3.063
 1126   2HD1  LEU 143          2HD1      LEU 143  -6.682  -5.684  -1.358
 1127   3HD1  LEU 143          3HD1      LEU 143  -7.511  -4.272  -2.014
 1128   1HD2  LEU 143          1HD2      LEU 143  -8.332  -8.021  -1.530
 1129   2HD2  LEU 143          2HD2      LEU 143  -6.956  -7.729  -2.594
 1130   3HD2  LEU 143          3HD2      LEU 143  -8.525  -8.152  -3.278
 1131    H    ARG 144           H        ARG 144 -12.067  -4.994  -2.192
 1132    HA   ARG 144           HA       ARG 144 -13.175  -4.166   0.167
 1133   1HB   ARG 144          2HB       ARG 144 -13.200  -2.815  -1.841
 1134   2HB   ARG 144          1HB       ARG 144 -14.367  -3.910  -2.550
 1135   1HG   ARG 144          2HG       ARG 144 -16.008  -3.342  -0.901
 1136   2HG   ARG 144          1HG       ARG 144 -14.849  -2.346  -0.033
 1137   1HD   ARG 144          2HD       ARG 144 -14.698  -0.849  -1.971
 1138   2HD   ARG 144          1HD       ARG 144 -15.861  -1.851  -2.834
 1139    HE   ARG 144           HE       ARG 144 -16.466   0.185  -0.990
 1140   1HH1  ARG 144          1HH1      ARG 144 -17.465  -3.037  -1.875
 1141   2HH1  ARG 144          2HH1      ARG 144 -19.085  -2.829  -1.300
 1142   1HH2  ARG 144          1HH2      ARG 144 -18.596   0.462  -0.232
 1143   2HH2  ARG 144          2HH2      ARG 144 -19.727  -0.843  -0.368
 1144    H    GLN 145           H        GLN 145 -14.131  -6.998  -1.633
 1145    HA   GLN 145           HA       GLN 145 -16.823  -7.095  -0.683
 1146   1HB   GLN 145          2HB       GLN 145 -15.194  -9.590  -1.085
 1147   2HB   GLN 145          1HB       GLN 145 -16.902  -9.314  -1.413
 1148   1HG   GLN 145          2HG       GLN 145 -14.586  -8.215  -2.946
 1149   2HG   GLN 145          1HG       GLN 145 -15.671  -9.509  -3.466
 1150   1HE2  GLN 145          1HE2      GLN 145 -15.185  -6.157  -3.151
 1151   2HE2  GLN 145          2HE2      GLN 145 -16.662  -5.641  -3.865
 1152    H    ILE 146           H        ILE 146 -13.812  -8.490   0.358
 1153    HA   ILE 146           HA       ILE 146 -14.744  -9.609   2.797
 1154    HB   ILE 146           HB       ILE 146 -11.915  -8.738   2.547
 1155   1HG1  ILE 146          2HG1      ILE 146 -12.653 -11.195   1.036
 1156   2HG1  ILE 146          1HG1      ILE 146 -12.900  -9.640   0.248
 1157   1HG2  ILE 146          1HG2      ILE 146 -13.457 -11.028   3.647
 1158   2HG2  ILE 146          2HG2      ILE 146 -12.175 -10.069   4.388
 1159   3HG2  ILE 146          3HG2      ILE 146 -11.776 -11.299   3.188
 1160   1HD1  ILE 146          1HD1      ILE 146 -10.499  -9.115   0.838
 1161   2HD1  ILE 146          2HD1      ILE 146 -10.768 -10.343  -0.403
 1162   3HD1  ILE 146          3HD1      ILE 146 -10.337 -10.827   1.238
 1163    H    LEU 147           H        LEU 147 -13.972  -6.534   1.651
 1164    HA   LEU 147           HA       LEU 147 -13.155  -5.253   4.095
 1165   1HB   LEU 147          2HB       LEU 147 -12.700  -4.699   1.640
 1166   2HB   LEU 147          1HB       LEU 147 -14.319  -4.048   1.609
 1167    HG   LEU 147           HG       LEU 147 -11.920  -3.020   3.043
 1168   1HD1  LEU 147          1HD1      LEU 147 -13.851  -1.822   1.084
 1169   2HD1  LEU 147          2HD1      LEU 147 -12.252  -2.457   0.698
 1170   3HD1  LEU 147          3HD1      LEU 147 -12.413  -1.037   1.737
 1171   1HD2  LEU 147          1HD2      LEU 147 -13.383  -2.520   4.728
 1172   2HD2  LEU 147          2HD2      LEU 147 -14.790  -2.572   3.667
 1173   3HD2  LEU 147          3HD2      LEU 147 -13.728  -1.164   3.657
 1174    H    HIS 148           H        HIS 148 -15.971  -5.097   2.025
 1175    HA   HIS 148           HA       HIS 148 -17.549  -3.486   3.701
 1176   1HB   HIS 148          2HB       HIS 148 -17.692  -3.845   1.187
 1177   2HB   HIS 148          1HB       HIS 148 -18.517  -5.359   1.544
 1178    HD1  HIS 148           1HD      HIS 148 -20.341  -3.766   0.052
 1179    HD2  HIS 148           2HD      HIS 148 -19.791  -2.995   4.098
 1180    HE1  HIS 148           1HE      HIS 148 -22.383  -2.486   0.772
 1181    HE2  HIS 148           2HE      HIS 148 -21.970  -1.921   3.193
 1182    H    THR 149           H        THR 149 -16.848  -6.817   3.590
 1183    HA   THR 149           HA       THR 149 -19.175  -7.461   5.247
 1184    HB   THR 149           HB       THR 149 -18.732  -9.786   4.699
 1185    HG1  THR 149           1HG      THR 149 -16.296  -9.066   4.394
 1186   1HG2  THR 149          1HG2      THR 149 -18.461  -8.162   2.172
 1187   2HG2  THR 149          2HG2      THR 149 -19.980  -8.437   3.031
 1188   3HG2  THR 149          3HG2      THR 149 -19.102  -9.798   2.333
 1189    H    ARG 150           H        ARG 150 -15.641  -7.362   5.332
 1190    HA   ARG 150           HA       ARG 150 -15.826  -8.321   8.123
 1191   1HB   ARG 150          2HB       ARG 150 -13.506  -8.603   6.217
 1192   2HB   ARG 150          1HB       ARG 150 -13.466  -9.049   7.917
 1193   1HG   ARG 150          2HG       ARG 150 -15.306 -10.242   5.853
 1194   2HG   ARG 150          1HG       ARG 150 -13.817 -10.977   6.449
 1195   1HD   ARG 150          2HD       ARG 150 -14.742 -11.030   8.709
 1196   2HD   ARG 150          1HD       ARG 150 -16.225 -10.274   8.127
 1197    HE   ARG 150           HE       ARG 150 -15.795 -12.596   6.636
 1198   1HH1  ARG 150          1HH1      ARG 150 -16.529 -11.663   9.913
 1199   2HH1  ARG 150          2HH1      ARG 150 -17.395 -13.118  10.270
 1200   1HH2  ARG 150          1HH2      ARG 150 -16.938 -14.511   7.095
 1201   2HH2  ARG 150          2HH2      ARG 150 -17.630 -14.739   8.667
 1202    H    ALA 151           H        ALA 151 -14.700  -5.719   6.104
 1203    HA   ALA 151           HA       ALA 151 -13.256  -4.579   8.387
 1204   1HB   ALA 151          1HB       ALA 151 -13.145  -4.039   5.445
 1205   2HB   ALA 151          2HB       ALA 151 -11.854  -4.548   6.533
 1206   3HB   ALA 151          3HB       ALA 151 -12.479  -2.901   6.616
 1207    H    PHE 152           H        PHE 152 -14.287  -2.311   6.020
 1208    HA   PHE 152           HA       PHE 152 -16.305  -1.317   7.921
 1209   1HB   PHE 152          2HB       PHE 152 -14.297   0.072   7.797
 1210   2HB   PHE 152          1HB       PHE 152 -14.482   0.213   6.056
 1211    HD1  PHE 152           1HD      PHE 152 -14.945   2.382   5.546
 1212    HD2  PHE 152           2HD      PHE 152 -16.924   0.583   8.856
 1213    HE1  PHE 152           1HE      PHE 152 -16.290   4.424   5.849
 1214    HE2  PHE 152           2HE      PHE 152 -18.274   2.618   9.163
 1215    HZ   PHE 152           HZ       PHE 152 -17.956   4.543   7.659
 1216    H    ASP 153           H        ASP 153 -15.694   0.023   4.772
 1217    HA   ASP 153           HA       ASP 153 -17.602  -1.310   3.229
 1218   1HB   ASP 153          2HB       ASP 153 -19.322  -0.451   4.674
 1219   2HB   ASP 153          1HB       ASP 153 -18.614   1.160   4.658
 1220    H    LYS 154           H        LYS 154 -16.439   1.929   4.008
 1221    HA   LYS 154           HA       LYS 154 -14.810   2.190   1.759
 1222   1HB   LYS 154          2HB       LYS 154 -16.852   2.342   0.449
 1223   2HB   LYS 154          1HB       LYS 154 -17.469   3.605   1.513
 1224   1HG   LYS 154          2HG       LYS 154 -15.059   4.635   0.763
 1225   2HG   LYS 154          1HG       LYS 154 -15.551   3.769  -0.689
 1226   1HD   LYS 154          2HD       LYS 154 -16.259   6.141  -0.635
 1227   2HD   LYS 154          1HD       LYS 154 -17.601   5.004  -0.803
 1228   1HE   LYS 154          2HE       LYS 154 -18.057   5.216   1.600
 1229   2HE   LYS 154          1HE       LYS 154 -16.718   6.352   1.750
 1230   1HZ   LYS 154          1HZ       LYS 154 -18.179   7.945   1.313
 1231   2HZ   LYS 154          2HZ       LYS 154 -19.393   6.832   0.922
 1232   3HZ   LYS 154          3HZ       LYS 154 -18.304   7.347  -0.266
 1233    H    LEU 155           H        LEU 155 -13.360   3.678   2.227
 1234    HA   LEU 155           HA       LEU 155 -13.806   5.441   4.482
 1235   1HB   LEU 155          2HB       LEU 155 -11.390   5.001   2.724
 1236   2HB   LEU 155          1HB       LEU 155 -11.418   5.999   4.167
 1237    HG   LEU 155           HG       LEU 155 -11.965   3.012   4.145
 1238   1HD1  LEU 155          1HD1      LEU 155  -9.614   3.703   5.567
 1239   2HD1  LEU 155          2HD1      LEU 155  -9.504   4.440   3.970
 1240   3HD1  LEU 155          3HD1      LEU 155  -9.769   2.704   4.123
 1241   1HD2  LEU 155          1HD2      LEU 155 -13.032   3.811   6.034
 1242   2HD2  LEU 155          2HD2      LEU 155 -11.876   5.122   6.269
 1243   3HD2  LEU 155          3HD2      LEU 155 -11.417   3.463   6.650
 1244    H    ASN 156           H        ASN 156 -12.260   7.682   3.716
 1245    HA   ASN 156           HA       ASN 156 -13.876   8.759   1.508
 1246   1HB   ASN 156          2HB       ASN 156 -13.011  10.267   3.983
 1247   2HB   ASN 156          1HB       ASN 156 -14.032  10.874   2.682
 1248   1HD2  ASN 156          1HD2      ASN 156 -16.115  10.843   3.069
 1249   2HD2  ASN 156          2HD2      ASN 156 -16.938   9.795   4.167
 1250    H    LYS 157           H        LYS 157 -12.742   9.653  -0.104
 1251    HA   LYS 157           HA       LYS 157 -10.007   9.456  -0.314
 1252   1HB   LYS 157          2HB       LYS 157 -11.725  11.547  -1.662
 1253   2HB   LYS 157          1HB       LYS 157 -10.107  11.074  -2.150
 1254   1HG   LYS 157          2HG       LYS 157 -11.473   9.926  -3.629
 1255   2HG   LYS 157          1HG       LYS 157 -11.086   8.714  -2.407
 1256   1HD   LYS 157          2HD       LYS 157 -13.250   9.266  -1.285
 1257   2HD   LYS 157          1HD       LYS 157 -13.633  10.311  -2.655
 1258   1HE   LYS 157          2HE       LYS 157 -13.324   8.304  -4.138
 1259   2HE   LYS 157          1HE       LYS 157 -13.207   7.326  -2.674
 1260   1HZ   LYS 157          1HZ       LYS 157 -15.503   9.005  -2.607
 1261   2HZ   LYS 157          2HZ       LYS 157 -15.400   7.323  -2.464
 1262   3HZ   LYS 157          3HZ       LYS 157 -15.509   8.034  -3.993
 1263    H    TRP 158           H        TRP 158  -8.292  10.832   0.011
 1264    HA   TRP 158           HA       TRP 158  -8.249  12.251   2.345
 1265   1HB   TRP 158          2HB       TRP 158  -6.276  11.457   0.969
 1266   2HB   TRP 158          1HB       TRP 158  -6.482  12.894  -0.026
 1267    HD1  TRP 158           HD       TRP 158  -6.331  12.409   3.834
 1268    HE1  TRP 158           1HE      TRP 158  -4.655  14.122   4.772
 1269    HE3  TRP 158           3HE      TRP 158  -4.879  14.617  -0.546
 1270    HZ2  TRP 158           2HZ      TRP 158  -2.949  16.142   3.791
 1271    HZ3  TRP 158           3HZ      TRP 158  -3.221  16.435  -0.457
 1272    HH2  TRP 158           HH       TRP 158  -2.279  17.180   1.669
  Start of MODEL   14
    1   1H    THR   1          1HT       THR   1   3.111  -8.583 -14.313
    2   2H    THR   1          2HT       THR   1   2.591  -9.993 -15.091
    3   3H    THR   1          3HT       THR   1   4.053  -9.987 -14.239
    4    HA   THR   1           HA       THR   1   1.539 -10.678 -13.294
    5    HB   THR   1           HB       THR   1   4.197 -10.199 -11.931
    6    HG1  THR   1           1HG      THR   1   3.041 -12.610 -12.866
    7   1HG2  THR   1          1HG2      THR   1   2.339 -10.350 -10.297
    8   2HG2  THR   1          2HG2      THR   1   3.505 -11.671 -10.183
    9   3HG2  THR   1          3HG2      THR   1   1.946 -11.938 -10.961
   10    H    VAL   2           H        VAL   2  -0.041  -9.202 -12.892
   11    HA   VAL   2           HA       VAL   2   0.521  -6.608 -11.818
   12    HB   VAL   2           HB       VAL   2  -2.138  -8.037 -12.008
   13   1HG1  VAL   2          1HG1      VAL   2  -1.823  -5.977 -10.465
   14   2HG1  VAL   2          2HG1      VAL   2  -3.191  -6.018 -11.579
   15   3HG1  VAL   2          3HG1      VAL   2  -1.758  -5.068 -11.975
   16   1HG2  VAL   2          1HG2      VAL   2  -2.431  -7.175 -14.136
   17   2HG2  VAL   2          2HG2      VAL   2  -0.726  -7.625 -14.146
   18   3HG2  VAL   2          3HG2      VAL   2  -1.193  -5.938 -13.918
   19    H    ALA   3           H        ALA   3   1.410  -6.617  -9.833
   20    HA   ALA   3           HA       ALA   3   0.231  -8.282  -7.737
   21   1HB   ALA   3          1HB       ALA   3   2.348  -6.958  -6.593
   22   2HB   ALA   3          2HB       ALA   3   2.876  -7.172  -8.261
   23   3HB   ALA   3          3HB       ALA   3   2.403  -8.573  -7.298
   24    H    TYR   4           H        TYR   4  -0.917  -7.458  -6.062
   25    HA   TYR   4           HA       TYR   4  -1.606  -4.639  -6.229
   26   1HB   TYR   4          2HB       TYR   4  -3.456  -6.122  -5.865
   27   2HB   TYR   4          1HB       TYR   4  -2.655  -6.871  -4.488
   28    HD1  TYR   4           1HD      TYR   4  -2.392  -3.275  -4.774
   29    HD2  TYR   4           2HD      TYR   4  -4.767  -6.428  -3.187
   30    HE1  TYR   4           1HE      TYR   4  -3.533  -1.673  -3.302
   31    HE2  TYR   4           2HE      TYR   4  -5.913  -4.832  -1.716
   32    HH   TYR   4           HH       TYR   4  -4.908  -1.465  -1.526
   33    H    ILE   5           H        ILE   5  -0.017  -3.394  -5.490
   34    HA   ILE   5           HA       ILE   5   1.282  -3.988  -2.939
   35    HB   ILE   5           HB       ILE   5   1.962  -1.501  -4.399
   36   1HG1  ILE   5          2HG1      ILE   5   2.601  -4.238  -5.524
   37   2HG1  ILE   5          1HG1      ILE   5   1.555  -3.041  -6.266
   38   1HG2  ILE   5          1HG2      ILE   5   4.065  -1.873  -3.555
   39   2HG2  ILE   5          2HG2      ILE   5   3.887  -3.628  -3.587
   40   3HG2  ILE   5          3HG2      ILE   5   3.076  -2.683  -2.339
   41   1HD1  ILE   5          1HD1      ILE   5   4.459  -2.535  -5.703
   42   2HD1  ILE   5          2HD1      ILE   5   3.368  -1.610  -6.736
   43   3HD1  ILE   5          3HD1      ILE   5   3.872  -3.230  -7.214
   44    H    ALA   6           H        ALA   6   0.384  -3.192  -1.130
   45    HA   ALA   6           HA       ALA   6  -1.450  -0.934  -1.308
   46   1HB   ALA   6          1HB       ALA   6  -2.011  -3.024  -0.040
   47   2HB   ALA   6          2HB       ALA   6  -2.183  -1.526   0.875
   48   3HB   ALA   6          3HB       ALA   6  -0.779  -2.561   1.133
   49    H    ILE   7           H        ILE   7  -1.091   1.063  -0.489
   50    HA   ILE   7           HA       ILE   7   1.544   1.528   0.739
   51    HB   ILE   7           HB       ILE   7  -0.178   3.406  -0.877
   52   1HG1  ILE   7          2HG1      ILE   7   2.566   2.211  -1.332
   53   2HG1  ILE   7          1HG1      ILE   7   1.099   1.837  -2.228
   54   1HG2  ILE   7          1HG2      ILE   7   2.452   4.007   0.473
   55   2HG2  ILE   7          2HG2      ILE   7   0.876   4.549   1.046
   56   3HG2  ILE   7          3HG2      ILE   7   1.491   5.112  -0.507
   57   1HD1  ILE   7          1HD1      ILE   7   2.629   4.422  -2.232
   58   2HD1  ILE   7          2HD1      ILE   7   1.051   4.207  -2.991
   59   3HD1  ILE   7          3HD1      ILE   7   2.440   3.278  -3.560
   60    H    GLY   8           H        GLY   8   1.691   2.393   2.693
   61   1HA   GLY   8          2HA       GLY   8  -0.754   3.481   3.936
   62   2HA   GLY   8          1HA       GLY   8   0.291   2.355   4.790
   63    H    SER   9           H        SER   9  -0.468   5.524   4.434
   64    HA   SER   9           HA       SER   9   2.037   6.362   5.696
   65   1HB   SER   9          2HB       SER   9   2.220   6.978   3.317
   66   2HB   SER   9          1HB       SER   9   0.702   7.867   3.434
   67    HG   SER   9           HG       SER   9   3.212   8.607   4.187
   68    H    ASN  10           H        ASN  10   1.756   8.679   6.606
   69    HA   ASN  10           HA       ASN  10  -0.805   9.697   7.138
   70   1HB   ASN  10          2HB       ASN  10  -0.851   8.982   9.616
   71   2HB   ASN  10          1HB       ASN  10  -1.361   7.809   8.405
   72   1HD2  ASN  10          1HD2      ASN  10  -0.599   5.860   8.699
   73   2HD2  ASN  10          2HD2      ASN  10   0.893   5.447   9.466
   74    H    LEU  11           H        LEU  11  -0.344  11.753   7.386
   75    HA   LEU  11           HA       LEU  11   0.861  12.979   9.507
   76   1HB   LEU  11          2HB       LEU  11   2.945  11.822   8.742
   77   2HB   LEU  11          1HB       LEU  11   2.852  12.713   7.243
   78    HG   LEU  11           HG       LEU  11   4.420  13.455   9.264
   79   1HD1  LEU  11          1HD1      LEU  11   3.035  15.668   7.831
   80   2HD1  LEU  11          2HD1      LEU  11   3.953  14.475   6.913
   81   3HD1  LEU  11          3HD1      LEU  11   4.752  15.433   8.157
   82   1HD2  LEU  11          1HD2      LEU  11   2.073  15.246   9.759
   83   2HD2  LEU  11          2HD2      LEU  11   3.518  14.996  10.741
   84   3HD2  LEU  11          3HD2      LEU  11   2.272  13.750  10.672
   85    H    ALA  12           H        ALA  12  -1.259  13.827   8.476
   86    HA   ALA  12           HA       ALA  12  -2.411  15.464   7.372
   87   1HB   ALA  12          1HB       ALA  12  -1.589  17.584   7.652
   88   2HB   ALA  12          2HB       ALA  12   0.041  17.137   7.148
   89   3HB   ALA  12          3HB       ALA  12  -0.531  16.709   8.761
   90    H    SER  13           H        SER  13   0.661  16.315   5.901
   91    HA   SER  13           HA       SER  13  -0.295  15.270   3.318
   92   1HB   SER  13          2HB       SER  13   1.287  17.813   3.811
   93   2HB   SER  13          1HB       SER  13   0.866  17.168   2.224
   94    HG   SER  13           HG       SER  13  -0.563  18.789   3.694
   95    HA   PRO  14           HA       PRO  14   3.898  13.575   4.496
   96   1HB   PRO  14          2HB       PRO  14   3.277  10.979   4.734
   97   2HB   PRO  14          1HB       PRO  14   3.023  12.124   6.054
   98   1HG   PRO  14          2HG       PRO  14   1.052  10.969   4.139
   99   2HG   PRO  14          1HG       PRO  14   0.869  11.310   5.866
  100   1HD   PRO  14          2HD       PRO  14  -0.066  12.925   3.822
  101   2HD   PRO  14          1HD       PRO  14   0.245  13.467   5.483
  102    H    LEU  15           H        LEU  15   2.189  13.825   1.879
  103    HA   LEU  15           HA       LEU  15   2.691  11.669   0.222
  104   1HB   LEU  15          2HB       LEU  15   2.631  13.360  -1.648
  105   2HB   LEU  15          1HB       LEU  15   1.241  13.325  -0.585
  106    HG   LEU  15           HG       LEU  15   2.290  15.294   0.636
  107   1HD1  LEU  15          1HD1      LEU  15   4.303  16.003   0.049
  108   2HD1  LEU  15          2HD1      LEU  15   3.721  16.326  -1.585
  109   3HD1  LEU  15          3HD1      LEU  15   4.395  14.746  -1.184
  110   1HD2  LEU  15          1HD2      LEU  15   1.698  16.031  -2.190
  111   2HD2  LEU  15          2HD2      LEU  15   1.133  16.767  -0.689
  112   3HD2  LEU  15          3HD2      LEU  15   0.455  15.229  -1.229
  113    H    GLU  16           H        GLU  16   4.981  13.554   1.756
  114    HA   GLU  16           HA       GLU  16   7.004  13.725  -0.199
  115   1HB   GLU  16          2HB       GLU  16   7.198  13.561   2.816
  116   2HB   GLU  16          1HB       GLU  16   8.567  13.882   1.763
  117   1HG   GLU  16          2HG       GLU  16   7.933  15.985   2.484
  118   2HG   GLU  16          1HG       GLU  16   7.183  15.857   0.894
  119    H    GLN  17           H        GLN  17   6.515  11.351   2.428
  120    HA   GLN  17           HA       GLN  17   8.494   9.579   1.309
  121   1HB   GLN  17          2HB       GLN  17   7.410   7.971   3.077
  122   2HB   GLN  17          1HB       GLN  17   8.437   9.296   3.600
  123   1HG   GLN  17          2HG       GLN  17   5.456   9.563   3.441
  124   2HG   GLN  17          1HG       GLN  17   6.269   8.914   4.864
  125   1HE2  GLN  17          1HE2      GLN  17   8.423  11.012   3.629
  126   2HE2  GLN  17          2HE2      GLN  17   7.977  12.444   4.496
  127    H    VAL  18           H        VAL  18   4.993   9.779   1.488
  128    HA   VAL  18           HA       VAL  18   4.191   7.378   0.423
  129    HB   VAL  18           HB       VAL  18   3.066  10.022  -0.501
  130   1HG1  VAL  18          1HG1      VAL  18   1.363   7.670   0.053
  131   2HG1  VAL  18          2HG1      VAL  18   2.401   7.583  -1.370
  132   3HG1  VAL  18          3HG1      VAL  18   1.234   8.895  -1.210
  133   1HG2  VAL  18          1HG2      VAL  18   3.404   9.632   2.052
  134   2HG2  VAL  18          2HG2      VAL  18   2.013   8.562   1.871
  135   3HG2  VAL  18          3HG2      VAL  18   1.874  10.267   1.447
  136    H    ASN  19           H        ASN  19   5.148  10.284  -1.379
  137    HA   ASN  19           HA       ASN  19   5.055   9.012  -3.930
  138   1HB   ASN  19          2HB       ASN  19   6.382  11.589  -3.065
  139   2HB   ASN  19          1HB       ASN  19   6.190  11.067  -4.733
  140   1HD2  ASN  19          1HD2      ASN  19   3.527  10.026  -3.086
  141   2HD2  ASN  19          2HD2      ASN  19   2.467  11.350  -3.399
  142    H    ALA  20           H        ALA  20   7.378   9.247  -1.406
  143    HA   ALA  20           HA       ALA  20   9.806   9.019  -2.658
  144   1HB   ALA  20          1HB       ALA  20   9.501   7.201  -0.385
  145   2HB   ALA  20          2HB       ALA  20   8.956   8.850  -0.086
  146   3HB   ALA  20          3HB       ALA  20  10.610   8.552  -0.620
  147    H    ALA  21           H        ALA  21   7.868   6.219  -1.561
  148    HA   ALA  21           HA       ALA  21   9.402   4.410  -3.182
  149   1HB   ALA  21          1HB       ALA  21   8.001   2.678  -2.351
  150   2HB   ALA  21          2HB       ALA  21   6.757   3.830  -1.865
  151   3HB   ALA  21          3HB       ALA  21   8.299   3.783  -1.011
  152    H    LEU  22           H        LEU  22   6.568   6.336  -3.578
  153    HA   LEU  22           HA       LEU  22   5.338   4.903  -5.679
  154   1HB   LEU  22          2HB       LEU  22   5.192   7.710  -4.667
  155   2HB   LEU  22          1HB       LEU  22   4.492   7.343  -6.236
  156    HG   LEU  22           HG       LEU  22   3.741   5.953  -3.663
  157   1HD1  LEU  22          1HD1      LEU  22   1.614   7.245  -3.932
  158   2HD1  LEU  22          2HD1      LEU  22   2.431   8.213  -5.159
  159   3HD1  LEU  22          3HD1      LEU  22   3.020   8.218  -3.498
  160   1HD2  LEU  22          1HD2      LEU  22   2.808   4.453  -5.014
  161   2HD2  LEU  22          2HD2      LEU  22   3.235   5.396  -6.443
  162   3HD2  LEU  22          3HD2      LEU  22   1.729   5.725  -5.587
  163    H    LYS  23           H        LYS  23   8.046   7.060  -5.535
  164    HA   LYS  23           HA       LYS  23   8.173   7.542  -8.369
  165   1HB   LYS  23          2HB       LYS  23  10.158   7.998  -6.134
  166   2HB   LYS  23          1HB       LYS  23  10.475   8.420  -7.812
  167   1HG   LYS  23          2HG       LYS  23   8.579   9.961  -7.785
  168   2HG   LYS  23          1HG       LYS  23   8.257   9.534  -6.104
  169   1HD   LYS  23          2HD       LYS  23  10.409  10.414  -5.430
  170   2HD   LYS  23          1HD       LYS  23  10.828  10.748  -7.112
  171   1HE   LYS  23          2HE       LYS  23  10.113  12.774  -5.944
  172   2HE   LYS  23          1HE       LYS  23   9.015  12.363  -7.261
  173   1HZ   LYS  23          1HZ       LYS  23   7.856  13.030  -5.219
  174   2HZ   LYS  23          2HZ       LYS  23   8.539  11.715  -4.402
  175   3HZ   LYS  23          3HZ       LYS  23   7.469  11.450  -5.685
  176    H    ALA  24           H        ALA  24   9.786   5.464  -6.014
  177    HA   ALA  24           HA       ALA  24  11.489   4.191  -7.933
  178   1HB   ALA  24          1HB       ALA  24  12.484   3.776  -5.969
  179   2HB   ALA  24          2HB       ALA  24  11.324   2.459  -5.801
  180   3HB   ALA  24          3HB       ALA  24  10.993   4.025  -5.062
  181    H    LEU  25           H        LEU  25   8.222   3.839  -6.961
  182    HA   LEU  25           HA       LEU  25   7.977   1.106  -7.893
  183   1HB   LEU  25          2HB       LEU  25   6.642   1.974  -5.967
  184   2HB   LEU  25          1HB       LEU  25   5.813   3.048  -7.078
  185    HG   LEU  25           HG       LEU  25   5.745   0.117  -7.640
  186   1HD1  LEU  25          1HD1      LEU  25   3.703  -0.023  -6.207
  187   2HD1  LEU  25          2HD1      LEU  25   4.145   1.536  -5.512
  188   3HD1  LEU  25          3HD1      LEU  25   5.208   0.144  -5.304
  189   1HD2  LEU  25          1HD2      LEU  25   3.743   0.627  -8.726
  190   2HD2  LEU  25          2HD2      LEU  25   4.779   2.008  -9.088
  191   3HD2  LEU  25          3HD2      LEU  25   3.538   2.138  -7.842
  192    H    GLY  26           H        GLY  26   7.798   4.281  -9.164
  193   1HA   GLY  26          2HA       GLY  26   6.037   3.701 -11.354
  194   2HA   GLY  26          1HA       GLY  26   7.106   5.098 -11.213
  195    H    ASP  27           H        ASP  27   9.459   3.691 -10.720
  196    HA   ASP  27           HA       ASP  27   9.879   2.152 -13.177
  197   1HB   ASP  27          2HB       ASP  27  11.575   4.414 -12.118
  198   2HB   ASP  27          1HB       ASP  27  12.108   3.281 -13.347
  199    H    ILE  28           H        ILE  28  10.131   0.199 -12.270
  200    HA   ILE  28           HA       ILE  28  12.104  -0.101 -10.101
  201    HB   ILE  28           HB       ILE  28  10.069  -2.169 -10.855
  202   1HG1  ILE  28          2HG1      ILE  28   9.702   0.153  -8.950
  203   2HG1  ILE  28          1HG1      ILE  28   8.774  -0.164 -10.411
  204   1HG2  ILE  28          1HG2      ILE  28  11.674  -1.602  -8.380
  205   2HG2  ILE  28          2HG2      ILE  28  11.752  -3.017  -9.429
  206   3HG2  ILE  28          3HG2      ILE  28  10.333  -2.747  -8.417
  207   1HD1  ILE  28          1HD1      ILE  28   8.786  -2.203  -8.246
  208   2HD1  ILE  28          2HD1      ILE  28   7.534  -1.810  -9.424
  209   3HD1  ILE  28          3HD1      ILE  28   7.819  -0.742  -8.051
  210    HA   PRO  29           HA       PRO  29  15.210  -2.196 -12.474
  211   1HB   PRO  29          2HB       PRO  29  14.277  -4.488 -10.772
  212   2HB   PRO  29          1HB       PRO  29  15.914  -4.068 -11.267
  213   1HG   PRO  29          2HG       PRO  29  14.939  -3.356  -8.864
  214   2HG   PRO  29          1HG       PRO  29  16.080  -2.336  -9.756
  215   1HD   PRO  29          2HD       PRO  29  13.269  -1.856  -9.155
  216   2HD   PRO  29          1HD       PRO  29  14.476  -0.735  -9.814
  217    H    GLU  30           H        GLU  30  12.297  -4.218 -11.871
  218    HA   GLU  30           HA       GLU  30  12.199  -4.768 -14.750
  219   1HB   GLU  30          2HB       GLU  30  12.065  -6.893 -12.609
  220   2HB   GLU  30          1HB       GLU  30  11.775  -7.159 -14.321
  221   1HG   GLU  30          2HG       GLU  30  14.073  -6.499 -14.815
  222   2HG   GLU  30          1HG       GLU  30  14.363  -6.233 -13.095
  223    H    SER  31           H        SER  31  10.574  -3.343 -12.484
  224    HA   SER  31           HA       SER  31   7.985  -4.605 -13.118
  225   1HB   SER  31          2HB       SER  31   8.580  -2.725 -10.829
  226   2HB   SER  31          1HB       SER  31   7.114  -3.671 -11.079
  227    HG   SER  31           HG       SER  31   8.663  -4.572  -9.557
  228    H    HIS  32           H        HIS  32   6.118  -2.852 -12.905
  229    HA   HIS  32           HA       HIS  32   6.774  -0.214 -13.780
  230   1HB   HIS  32          2HB       HIS  32   7.150  -1.535 -15.864
  231   2HB   HIS  32          1HB       HIS  32   5.454  -1.997 -15.833
  232    HD1  HIS  32           1HD      HIS  32   3.915   0.440 -15.525
  233    HD2  HIS  32           2HD      HIS  32   7.493   0.461 -17.628
  234    HE1  HIS  32           1HE      HIS  32   3.805   2.464 -17.010
  235    HE2  HIS  32           2HE      HIS  32   5.947   2.411 -18.335
  236    H    ILE  33           H        ILE  33   5.173   1.153 -13.386
  237    HA   ILE  33           HA       ILE  33   3.006   0.494 -11.806
  238    HB   ILE  33           HB       ILE  33   4.106   2.836 -12.991
  239   1HG1  ILE  33          2HG1      ILE  33   3.860   2.374 -10.591
  240   2HG1  ILE  33          1HG1      ILE  33   3.114   3.908 -11.025
  241   1HG2  ILE  33          1HG2      ILE  33   2.200   4.200 -13.435
  242   2HG2  ILE  33          2HG2      ILE  33   1.094   2.907 -12.970
  243   3HG2  ILE  33          3HG2      ILE  33   2.065   2.752 -14.434
  244   1HD1  ILE  33          1HD1      ILE  33   1.673   2.810  -9.499
  245   2HD1  ILE  33          2HD1      ILE  33   1.746   1.305 -10.417
  246   3HD1  ILE  33          3HD1      ILE  33   0.917   2.709 -11.090
  247    H    LEU  34           H        LEU  34   0.742   0.466 -12.160
  248    HA   LEU  34           HA       LEU  34  -0.154   0.152 -14.934
  249   1HB   LEU  34          2HB       LEU  34   0.386  -2.073 -13.694
  250   2HB   LEU  34          1HB       LEU  34  -1.101  -1.759 -12.822
  251    HG   LEU  34           HG       LEU  34  -1.430  -3.316 -14.690
  252   1HD1  LEU  34          1HD1      LEU  34  -3.238  -1.770 -13.932
  253   2HD1  LEU  34          2HD1      LEU  34  -3.393  -2.324 -15.599
  254   3HD1  LEU  34          3HD1      LEU  34  -2.797  -0.699 -15.262
  255   1HD2  LEU  34          1HD2      LEU  34  -0.877  -1.038 -16.565
  256   2HD2  LEU  34          2HD2      LEU  34  -1.090  -2.749 -16.937
  257   3HD2  LEU  34          3HD2      LEU  34   0.368  -2.202 -16.109
  258    H    THR  35           H        THR  35  -1.805  -0.485 -11.845
  259    HA   THR  35           HA       THR  35  -3.538   1.843 -12.373
  260    HB   THR  35           HB       THR  35  -5.359   0.471 -11.220
  261    HG1  THR  35           1HG      THR  35  -4.695  -1.359 -10.483
  262   1HG2  THR  35          1HG2      THR  35  -5.896   0.624 -13.412
  263   2HG2  THR  35          2HG2      THR  35  -5.561  -1.107 -13.334
  264   3HG2  THR  35          3HG2      THR  35  -4.338   0.002 -13.955
  265    H    VAL  36           H        VAL  36  -3.543   3.298 -10.790
  266    HA   VAL  36           HA       VAL  36  -3.479   2.509  -8.017
  267    HB   VAL  36           HB       VAL  36  -1.107   2.477  -8.404
  268   1HG1  VAL  36          1HG1      VAL  36   0.124   4.345  -9.313
  269   2HG1  VAL  36          2HG1      VAL  36  -1.358   5.288  -9.461
  270   3HG1  VAL  36          3HG1      VAL  36  -1.124   3.853 -10.459
  271   1HG2  VAL  36          1HG2      VAL  36  -1.362   5.156  -7.156
  272   2HG2  VAL  36          2HG2      VAL  36  -0.499   3.723  -6.600
  273   3HG2  VAL  36          3HG2      VAL  36  -2.249   3.824  -6.416
  274    H    SER  37           H        SER  37  -4.983   3.750  -7.103
  275    HA   SER  37           HA       SER  37  -4.856   6.554  -7.055
  276   1HB   SER  37          2HB       SER  37  -6.881   7.116  -8.355
  277   2HB   SER  37          1HB       SER  37  -5.622   6.423  -9.378
  278    HG   SER  37           HG       SER  37  -7.953   5.615  -9.476
  279    H    SER  38           H        SER  38  -7.222   7.412  -6.417
  280    HA   SER  38           HA       SER  38  -8.905   7.441  -4.902
  281   1HB   SER  38          2HB       SER  38  -9.476   5.247  -6.099
  282   2HB   SER  38          1HB       SER  38  -8.738   4.431  -4.720
  283    HG   SER  38           HG       SER  38 -10.771   4.607  -4.071
  284    H    PHE  39           H        PHE  39  -7.050   8.375  -3.637
  285    HA   PHE  39           HA       PHE  39  -5.869   6.780  -1.551
  286   1HB   PHE  39          2HB       PHE  39  -5.907   9.757  -2.080
  287   2HB   PHE  39          1HB       PHE  39  -5.090   9.045  -0.696
  288    HD1  PHE  39           1HD      PHE  39  -5.252   7.827  -4.204
  289    HD2  PHE  39           2HD      PHE  39  -2.824   9.441  -1.099
  290    HE1  PHE  39           1HE      PHE  39  -3.250   7.473  -5.587
  291    HE2  PHE  39           2HE      PHE  39  -0.818   9.085  -2.480
  292    HZ   PHE  39           HZ       PHE  39  -1.007   8.130  -4.700
  293    H    TYR  40           H        TYR  40  -6.549   6.537   0.561
  294    HA   TYR  40           HA       TYR  40  -8.997   7.999   1.288
  295   1HB   TYR  40          2HB       TYR  40  -8.256   5.143   1.807
  296   2HB   TYR  40          1HB       TYR  40  -9.481   5.967   2.767
  297    HD1  TYR  40           1HD      TYR  40  -8.566   5.249  -0.773
  298    HD2  TYR  40           2HD      TYR  40 -11.673   6.001   2.027
  299    HE1  TYR  40           1HE      TYR  40 -10.237   4.741  -2.501
  300    HE2  TYR  40           2HE      TYR  40 -13.350   5.502   0.308
  301    HH   TYR  40           HH       TYR  40 -13.715   4.950  -1.806
  302    H    ARG  41           H        ARG  41  -9.469   8.020   3.637
  303    HA   ARG  41           HA       ARG  41  -7.252   9.214   5.045
  304   1HB   ARG  41          2HB       ARG  41  -9.401  10.275   5.236
  305   2HB   ARG  41          1HB       ARG  41 -10.161   8.775   5.741
  306   1HG   ARG  41          2HG       ARG  41  -8.829   8.849   7.831
  307   2HG   ARG  41          1HG       ARG  41  -8.186  10.412   7.325
  308   1HD   ARG  41          2HD       ARG  41 -10.515  11.273   7.210
  309   2HD   ARG  41          1HD       ARG  41 -11.071   9.736   7.874
  310    HE   ARG  41           HE       ARG  41  -9.103  10.817   9.565
  311   1HH1  ARG  41          1HH1      ARG  41 -12.399  11.357   8.569
  312   2HH1  ARG  41          2HH1      ARG  41 -12.846  12.159  10.038
  313   1HH2  ARG  41          1HH2      ARG  41  -9.681  11.877  11.498
  314   2HH2  ARG  41          2HH2      ARG  41 -11.301  12.455  11.702
  315    H    THR  42           H        THR  42  -5.910   8.162   6.390
  316    HA   THR  42           HA       THR  42  -6.946   5.908   7.930
  317    HB   THR  42           HB       THR  42  -4.489   5.690   6.190
  318    HG1  THR  42           1HG      THR  42  -7.120   4.760   5.967
  319   1HG2  THR  42          1HG2      THR  42  -4.265   4.447   8.303
  320   2HG2  THR  42          2HG2      THR  42  -4.347   3.396   6.889
  321   3HG2  THR  42          3HG2      THR  42  -5.759   3.589   7.929
  322    HA   PRO  43           HA       PRO  43  -4.490   8.124  10.957
  323   1HB   PRO  43          2HB       PRO  43  -5.052   6.436  13.029
  324   2HB   PRO  43          1HB       PRO  43  -6.160   7.699  12.484
  325   1HG   PRO  43          2HG       PRO  43  -6.175   4.770  11.866
  326   2HG   PRO  43          1HG       PRO  43  -7.535   5.838  12.259
  327   1HD   PRO  43          2HD       PRO  43  -6.972   5.096   9.722
  328   2HD   PRO  43          1HD       PRO  43  -7.648   6.690  10.115
  329    HA   PRO  44           HA       PRO  44  -0.643   5.955  10.983
  330   1HB   PRO  44          2HB       PRO  44   0.130   6.242  13.642
  331   2HB   PRO  44          1HB       PRO  44   0.420   7.420  12.360
  332   1HG   PRO  44          2HG       PRO  44  -1.734   7.356  14.424
  333   2HG   PRO  44          1HG       PRO  44  -0.838   8.743  13.774
  334   1HD   PRO  44          2HD       PRO  44  -3.344   8.220  12.992
  335   2HD   PRO  44          1HD       PRO  44  -2.131   8.830  11.847
  336    H    LEU  45           H        LEU  45  -2.682   5.347  13.817
  337    HA   LEU  45           HA       LEU  45  -3.257   3.472  14.951
  338   1HB   LEU  45          2HB       LEU  45  -2.588   2.171  12.314
  339   2HB   LEU  45          1HB       LEU  45  -3.423   1.376  13.635
  340    HG   LEU  45           HG       LEU  45  -4.452   3.783  12.128
  341   1HD1  LEU  45          1HD1      LEU  45  -4.517   1.899  10.678
  342   2HD1  LEU  45          2HD1      LEU  45  -6.149   2.133  11.305
  343   3HD1  LEU  45          3HD1      LEU  45  -5.127   0.854  11.961
  344   1HD2  LEU  45          1HD2      LEU  45  -5.227   2.531  14.629
  345   2HD2  LEU  45          2HD2      LEU  45  -6.542   2.551  13.454
  346   3HD2  LEU  45          3HD2      LEU  45  -5.751   4.058  13.919
  347    H    GLY  46           H        GLY  46  -1.011   4.087  16.008
  348   1HA   GLY  46          2HA       GLY  46   0.265   2.489  17.399
  349   2HA   GLY  46          1HA       GLY  46   0.621   1.623  15.915
  350    HA   PRO  47           HA       PRO  47   4.466   3.575  15.080
  351   1HB   PRO  47          2HB       PRO  47   3.118   5.045  12.845
  352   2HB   PRO  47          1HB       PRO  47   4.670   4.195  12.853
  353   1HG   PRO  47          2HG       PRO  47   2.512   3.056  11.792
  354   2HG   PRO  47          1HG       PRO  47   3.670   2.102  12.738
  355   1HD   PRO  47          2HD       PRO  47   0.941   3.020  13.459
  356   2HD   PRO  47          1HD       PRO  47   1.833   1.588  14.007
  357    H    GLN  48           H        GLN  48   1.619   5.601  15.277
  358    HA   GLN  48           HA       GLN  48   3.284   7.724  16.441
  359   1HB   GLN  48          2HB       GLN  48   0.950   8.231  14.592
  360   2HB   GLN  48          1HB       GLN  48   2.049   9.426  15.271
  361   1HG   GLN  48          2HG       GLN  48   3.875   8.560  13.969
  362   2HG   GLN  48          1HG       GLN  48   2.870   7.242  13.372
  363   1HE2  GLN  48          1HE2      GLN  48   1.024   9.999  13.619
  364   2HE2  GLN  48          2HE2      GLN  48   1.141  10.548  11.986
  365    H    ASP  49           H        ASP  49   1.794   9.404  17.549
  366    HA   ASP  49           HA       ASP  49  -0.144   7.898  19.163
  367   1HB   ASP  49          2HB       ASP  49   1.703   8.878  20.427
  368   2HB   ASP  49          1HB       ASP  49   1.328  10.470  19.776
  369    H    GLN  50           H        GLN  50   0.256  10.723  17.149
  370    HA   GLN  50           HA       GLN  50  -2.486  11.585  17.674
  371   1HB   GLN  50          2HB       GLN  50  -1.916  13.547  16.282
  372   2HB   GLN  50          1HB       GLN  50  -0.826  13.349  17.645
  373   1HG   GLN  50          2HG       GLN  50  -0.169  12.373  14.885
  374   2HG   GLN  50          1HG       GLN  50   0.215  13.999  15.443
  375   1HE2  GLN  50          1HE2      GLN  50   1.494  11.063  14.973
  376   2HE2  GLN  50          2HE2      GLN  50   2.744  11.072  16.165
  377    HA   PRO  51           HA       PRO  51  -4.136   9.487  14.148
  378   1HB   PRO  51          2HB       PRO  51  -6.032  11.742  13.914
  379   2HB   PRO  51          1HB       PRO  51  -6.352  10.026  14.181
  380   1HG   PRO  51          2HG       PRO  51  -6.666  11.815  16.143
  381   2HG   PRO  51          1HG       PRO  51  -6.046  10.185  16.469
  382   1HD   PRO  51          2HD       PRO  51  -4.554  12.773  16.255
  383   2HD   PRO  51          1HD       PRO  51  -4.326  11.432  17.396
  384    H    ASP  52           H        ASP  52  -4.321   9.636  11.883
  385    HA   ASP  52           HA       ASP  52  -3.694  12.126  10.555
  386   1HB   ASP  52          2HB       ASP  52  -1.854   9.741  10.294
  387   2HB   ASP  52          1HB       ASP  52  -1.785  11.186   9.294
  388    H    TYR  53           H        TYR  53  -2.951  10.745   8.057
  389    HA   TYR  53           HA       TYR  53  -4.791   8.797   7.318
  390   1HB   TYR  53          2HB       TYR  53  -6.299  10.443   5.933
  391   2HB   TYR  53          1HB       TYR  53  -6.667  10.063   7.608
  392    HD1  TYR  53           1HD      TYR  53  -7.834  12.029   8.282
  393    HD2  TYR  53           2HD      TYR  53  -4.050  12.378   6.370
  394    HE1  TYR  53           1HE      TYR  53  -7.794  14.429   8.811
  395    HE2  TYR  53           2HE      TYR  53  -3.999  14.779   6.896
  396    HH   TYR  53           HH       TYR  53  -6.309  16.246   9.022
  397    H    LEU  54           H        LEU  54  -3.357   7.954   5.794
  398    HA   LEU  54           HA       LEU  54  -3.274   9.354   3.302
  399   1HB   LEU  54          2HB       LEU  54  -1.364  10.304   4.797
  400   2HB   LEU  54          1HB       LEU  54  -0.549   8.804   4.403
  401    HG   LEU  54           HG       LEU  54   0.206  10.531   2.902
  402   1HD1  LEU  54          1HD1      LEU  54   0.018   8.323   1.927
  403   2HD1  LEU  54          2HD1      LEU  54  -0.372   9.554   0.726
  404   3HD1  LEU  54          3HD1      LEU  54  -1.664   8.633   1.495
  405   1HD2  LEU  54          1HD2      LEU  54  -2.701  10.914   2.215
  406   2HD2  LEU  54          2HD2      LEU  54  -1.349  11.669   1.371
  407   3HD2  LEU  54          3HD2      LEU  54  -1.659  12.056   3.065
  408    H    ASN  55           H        ASN  55  -4.342   7.360   2.761
  409    HA   ASN  55           HA       ASN  55  -2.434   5.154   2.347
  410   1HB   ASN  55          2HB       ASN  55  -5.327   5.076   3.116
  411   2HB   ASN  55          1HB       ASN  55  -4.638   3.748   2.190
  412   1HD2  ASN  55          1HD2      ASN  55  -2.273   5.135   4.103
  413   2HD2  ASN  55          2HD2      ASN  55  -2.347   4.044   5.438
  414    H    ALA  56           H        ALA  56  -3.128   3.709   0.482
  415    HA   ALA  56           HA       ALA  56  -4.692   4.836  -1.615
  416   1HB   ALA  56          1HB       ALA  56  -2.308   4.760  -3.001
  417   2HB   ALA  56          2HB       ALA  56  -1.877   5.547  -1.483
  418   3HB   ALA  56          3HB       ALA  56  -3.167   6.211  -2.486
  419    H    ALA  57           H        ALA  57  -4.577   3.529  -3.601
  420    HA   ALA  57           HA       ALA  57  -3.789   0.756  -2.986
  421   1HB   ALA  57          1HB       ALA  57  -5.955   1.665  -4.876
  422   2HB   ALA  57          2HB       ALA  57  -6.230   1.157  -3.209
  423   3HB   ALA  57          3HB       ALA  57  -5.594   0.009  -4.387
  424    H    VAL  58           H        VAL  58  -2.241  -0.110  -4.208
  425    HA   VAL  58           HA       VAL  58  -1.734   1.060  -6.853
  426    HB   VAL  58           HB       VAL  58   0.412   0.005  -5.017
  427   1HG1  VAL  58          1HG1      VAL  58   1.272  -0.090  -7.149
  428   2HG1  VAL  58          2HG1      VAL  58   1.771   1.522  -6.636
  429   3HG1  VAL  58          3HG1      VAL  58   0.372   1.325  -7.693
  430   1HG2  VAL  58          1HG2      VAL  58   0.737   2.767  -5.280
  431   2HG2  VAL  58          2HG2      VAL  58   0.274   1.874  -3.831
  432   3HG2  VAL  58          3HG2      VAL  58  -0.969   2.526  -4.900
  433    H    ALA  59           H        ALA  59  -1.484  -0.348  -8.454
  434    HA   ALA  59           HA       ALA  59  -1.034  -3.173  -7.840
  435   1HB   ALA  59          1HB       ALA  59  -3.249  -2.018  -9.520
  436   2HB   ALA  59          2HB       ALA  59  -3.363  -3.184  -8.200
  437   3HB   ALA  59          3HB       ALA  59  -2.673  -3.669  -9.748
  438    H    LEU  60           H        LEU  60   1.059  -2.925  -8.492
  439    HA   LEU  60           HA       LEU  60   1.504  -2.071 -11.265
  440   1HB   LEU  60          2HB       LEU  60   2.903  -0.773 -10.017
  441   2HB   LEU  60          1HB       LEU  60   3.133  -2.000  -8.789
  442    HG   LEU  60           HG       LEU  60   4.328  -2.442 -11.490
  443   1HD1  LEU  60          1HD1      LEU  60   5.758  -0.866  -9.380
  444   2HD1  LEU  60          2HD1      LEU  60   4.831  -0.078 -10.655
  445   3HD1  LEU  60          3HD1      LEU  60   6.198  -1.111 -11.071
  446   1HD2  LEU  60          1HD2      LEU  60   5.596  -2.990  -8.843
  447   2HD2  LEU  60          2HD2      LEU  60   5.765  -3.855 -10.370
  448   3HD2  LEU  60          3HD2      LEU  60   4.294  -4.033  -9.415
  449    H    GLU  61           H        GLU  61   2.755  -3.242 -12.691
  450    HA   GLU  61           HA       GLU  61   2.672  -6.115 -12.306
  451   1HB   GLU  61          2HB       GLU  61   3.615  -4.500 -14.684
  452   2HB   GLU  61          1HB       GLU  61   3.333  -6.234 -14.659
  453   1HG   GLU  61          2HG       GLU  61   0.955  -5.790 -14.169
  454   2HG   GLU  61          1HG       GLU  61   1.273  -4.069 -14.340
  455    H    THR  62           H        THR  62   4.296  -6.606 -10.839
  456    HA   THR  62           HA       THR  62   6.980  -5.663 -11.393
  457    HB   THR  62           HB       THR  62   6.415  -5.435  -9.101
  458    HG1  THR  62           1HG      THR  62   7.719  -7.801  -8.706
  459   1HG2  THR  62          1HG2      THR  62   5.984  -8.048  -8.155
  460   2HG2  THR  62          2HG2      THR  62   4.851  -7.775  -9.479
  461   3HG2  THR  62          3HG2      THR  62   4.885  -6.669  -8.107
  462    H    SER  63           H        SER  63   8.689  -7.268 -10.916
  463    HA   SER  63           HA       SER  63   8.112  -9.942 -11.983
  464   1HB   SER  63          2HB       SER  63  10.324  -8.089 -12.910
  465   2HB   SER  63          1HB       SER  63  10.214  -9.795 -13.335
  466    HG   SER  63           HG       SER  63   9.142  -7.818 -14.621
  467    H    LEU  64           H        LEU  64   9.493  -7.792  -9.900
  468    HA   LEU  64           HA       LEU  64  11.309  -9.713  -8.670
  469   1HB   LEU  64          2HB       LEU  64  11.864  -7.445  -7.410
  470   2HB   LEU  64          1HB       LEU  64  12.577  -7.822  -8.968
  471    HG   LEU  64           HG       LEU  64  10.356  -6.535  -9.797
  472   1HD1  LEU  64          1HD1      LEU  64  10.766  -5.772  -6.989
  473   2HD1  LEU  64          2HD1      LEU  64   9.320  -5.705  -7.995
  474   3HD1  LEU  64          3HD1      LEU  64  10.544  -4.443  -8.126
  475   1HD2  LEU  64          1HD2      LEU  64  11.758  -4.632 -10.194
  476   2HD2  LEU  64          2HD2      LEU  64  12.735  -6.087 -10.380
  477   3HD2  LEU  64          3HD2      LEU  64  12.868  -5.116  -8.913
  478    H    ALA  65           H        ALA  65   9.870 -10.908  -7.473
  479    HA   ALA  65           HA       ALA  65   7.570 -10.366  -6.256
  480   1HB   ALA  65          1HB       ALA  65   9.708 -12.207  -5.766
  481   2HB   ALA  65          2HB       ALA  65   7.978 -12.406  -5.487
  482   3HB   ALA  65          3HB       ALA  65   8.998 -11.698  -4.234
  483    HA   PRO  66           HA       PRO  66   7.472  -6.939  -3.468
  484   1HB   PRO  66          2HB       PRO  66   6.708  -9.150  -1.575
  485   2HB   PRO  66          1HB       PRO  66   6.066  -7.501  -1.676
  486   1HG   PRO  66          2HG       PRO  66   4.759  -9.478  -2.830
  487   2HG   PRO  66          1HG       PRO  66   4.941  -7.921  -3.651
  488   1HD   PRO  66          2HD       PRO  66   6.228 -10.524  -4.250
  489   2HD   PRO  66          1HD       PRO  66   5.899  -9.153  -5.333
  490    H    GLU  67           H        GLU  67   9.190  -9.887  -2.647
  491    HA   GLU  67           HA       GLU  67  10.555  -9.061  -0.387
  492   1HB   GLU  67          2HB       GLU  67  11.745 -10.635  -2.681
  493   2HB   GLU  67          1HB       GLU  67  12.253 -10.677  -0.997
  494   1HG   GLU  67          2HG       GLU  67  10.182 -11.711  -0.347
  495   2HG   GLU  67          1HG       GLU  67   9.549 -11.557  -1.988
  496    H    GLU  68           H        GLU  68  11.476  -8.707  -3.794
  497    HA   GLU  68           HA       GLU  68  13.616  -6.860  -3.244
  498   1HB   GLU  68          2HB       GLU  68  12.320  -7.664  -5.852
  499   2HB   GLU  68          1HB       GLU  68  13.827  -6.780  -5.686
  500   1HG   GLU  68          2HG       GLU  68  13.332  -9.553  -4.655
  501   2HG   GLU  68          1HG       GLU  68  14.139  -9.174  -6.177
  502    H    LEU  69           H        LEU  69  10.461  -6.695  -4.879
  503    HA   LEU  69           HA       LEU  69  10.379  -4.069  -5.625
  504   1HB   LEU  69          2HB       LEU  69   8.524  -5.163  -6.322
  505   2HB   LEU  69          1HB       LEU  69   8.374  -6.080  -4.847
  506    HG   LEU  69           HG       LEU  69   7.536  -3.911  -3.769
  507   1HD1  LEU  69          1HD1      LEU  69   6.947  -2.106  -5.033
  508   2HD1  LEU  69          2HD1      LEU  69   6.782  -3.052  -6.513
  509   3HD1  LEU  69          3HD1      LEU  69   8.385  -2.645  -5.900
  510   1HD2  LEU  69          1HD2      LEU  69   5.454  -4.704  -4.031
  511   2HD2  LEU  69          2HD2      LEU  69   6.222  -5.975  -4.982
  512   3HD2  LEU  69          3HD2      LEU  69   5.524  -4.573  -5.789
  513    H    LEU  70           H        LEU  70   9.647  -5.386  -2.419
  514    HA   LEU  70           HA       LEU  70   8.979  -2.870  -1.287
  515   1HB   LEU  70          2HB       LEU  70   9.534  -5.589  -0.196
  516   2HB   LEU  70          1HB       LEU  70   9.571  -4.227   0.901
  517    HG   LEU  70           HG       LEU  70   7.260  -3.668   0.325
  518   1HD1  LEU  70          1HD1      LEU  70   7.567  -4.815  -2.011
  519   2HD1  LEU  70          2HD1      LEU  70   5.986  -4.756  -1.233
  520   3HD1  LEU  70          3HD1      LEU  70   6.953  -6.230  -1.156
  521   1HD2  LEU  70          1HD2      LEU  70   7.969  -5.419   2.091
  522   2HD2  LEU  70          2HD2      LEU  70   7.271  -6.587   0.968
  523   3HD2  LEU  70          3HD2      LEU  70   6.269  -5.295   1.634
  524    H    ASN  71           H        ASN  71  11.976  -4.719  -1.612
  525    HA   ASN  71           HA       ASN  71  13.616  -3.363   0.153
  526   1HB   ASN  71          2HB       ASN  71  14.217  -4.478  -2.586
  527   2HB   ASN  71          1HB       ASN  71  15.463  -3.738  -1.591
  528   1HD2  ASN  71          1HD2      ASN  71  13.018  -5.346   0.129
  529   2HD2  ASN  71          2HD2      ASN  71  13.899  -6.782   0.499
  530    H    HIS  72           H        HIS  72  12.657  -2.413  -3.128
  531    HA   HIS  72           HA       HIS  72  14.193   0.005  -3.061
  532   1HB   HIS  72          2HB       HIS  72  12.053  -0.952  -4.969
  533   2HB   HIS  72          1HB       HIS  72  13.043   0.485  -5.212
  534    HD1  HIS  72           1HD      HIS  72  15.677   0.018  -5.485
  535    HD2  HIS  72           2HD      HIS  72  13.186  -3.290  -5.799
  536    HE1  HIS  72           1HE      HIS  72  17.076  -1.774  -6.559
  537    HE2  HIS  72           2HE      HIS  72  15.517  -3.736  -6.832
  538    H    THR  73           H        THR  73  10.726  -0.787  -2.732
  539    HA   THR  73           HA       THR  73   9.756   1.823  -2.632
  540    HB   THR  73           HB       THR  73   7.885   0.903  -1.286
  541    HG1  THR  73           1HG      THR  73   9.389  -0.631  -0.182
  542   1HG2  THR  73          1HG2      THR  73   7.896  -1.326  -2.997
  543   2HG2  THR  73          2HG2      THR  73   8.681  -0.006  -3.863
  544   3HG2  THR  73          3HG2      THR  73   7.058   0.211  -3.208
  545    H    GLN  74           H        GLN  74  10.798  -0.223   0.078
  546    HA   GLN  74           HA       GLN  74  10.570   1.788   2.049
  547   1HB   GLN  74          2HB       GLN  74  11.719   0.254   3.509
  548   2HB   GLN  74          1HB       GLN  74  10.588  -0.659   2.520
  549   1HG   GLN  74          2HG       GLN  74  12.405  -1.376   1.075
  550   2HG   GLN  74          1HG       GLN  74  13.548  -0.435   2.031
  551   1HE2  GLN  74          1HE2      GLN  74  14.715  -1.662   3.308
  552   2HE2  GLN  74          2HE2      GLN  74  14.179  -3.077   4.144
  553    H    ARG  75           H        ARG  75  13.087   0.766  -0.125
  554    HA   ARG  75           HA       ARG  75  15.376   1.814   0.941
  555   1HB   ARG  75          2HB       ARG  75  15.165   0.585  -1.226
  556   2HB   ARG  75          1HB       ARG  75  14.526   2.050  -1.952
  557   1HG   ARG  75          2HG       ARG  75  16.625   3.193  -1.550
  558   2HG   ARG  75          1HG       ARG  75  17.268   1.757  -0.749
  559   1HD   ARG  75          2HD       ARG  75  18.089   1.804  -3.000
  560   2HD   ARG  75          1HD       ARG  75  16.919   0.491  -2.861
  561    HE   ARG  75           HE       ARG  75  15.709   1.523  -4.482
  562   1HH1  ARG  75          1HH1      ARG  75  17.652   3.940  -2.892
  563   2HH1  ARG  75          2HH1      ARG  75  17.131   5.224  -3.930
  564   1HH2  ARG  75          1HH2      ARG  75  15.017   3.209  -5.852
  565   2HH2  ARG  75          2HH2      ARG  75  15.633   4.809  -5.610
  566    H    ILE  76           H        ILE  76  12.766   3.483  -0.712
  567    HA   ILE  76           HA       ILE  76  14.050   6.038  -0.628
  568    HB   ILE  76           HB       ILE  76  11.111   5.811  -0.993
  569   1HG1  ILE  76          2HG1      ILE  76  12.033   3.904  -2.277
  570   2HG1  ILE  76          1HG1      ILE  76  11.412   5.160  -3.344
  571   1HG2  ILE  76          1HG2      ILE  76  13.353   7.504  -2.030
  572   2HG2  ILE  76          2HG2      ILE  76  11.895   7.993  -1.162
  573   3HG2  ILE  76          3HG2      ILE  76  11.787   7.468  -2.844
  574   1HD1  ILE  76          1HD1      ILE  76  13.715   3.993  -3.794
  575   2HD1  ILE  76          2HD1      ILE  76  14.297   5.200  -2.645
  576   3HD1  ILE  76          3HD1      ILE  76  13.482   5.710  -4.123
  577    H    GLU  77           H        GLU  77  11.064   4.837   0.973
  578    HA   GLU  77           HA       GLU  77  10.686   6.983   2.659
  579   1HB   GLU  77          2HB       GLU  77   9.460   5.500   4.153
  580   2HB   GLU  77          1HB       GLU  77   9.035   5.256   2.471
  581   1HG   GLU  77          2HG       GLU  77   9.119   3.128   3.438
  582   2HG   GLU  77          1HG       GLU  77  10.599   3.272   2.496
  583    H    LEU  78           H        LEU  78  13.169   4.624   2.785
  584    HA   LEU  78           HA       LEU  78  13.811   5.021   5.566
  585   1HB   LEU  78          2HB       LEU  78  14.197   2.864   4.449
  586   2HB   LEU  78          1HB       LEU  78  15.360   3.628   3.385
  587    HG   LEU  78           HG       LEU  78  16.800   4.122   5.324
  588   1HD1  LEU  78          1HD1      LEU  78  14.479   2.994   6.783
  589   2HD1  LEU  78          2HD1      LEU  78  15.568   4.310   7.225
  590   3HD1  LEU  78          3HD1      LEU  78  16.093   2.634   7.398
  591   1HD2  LEU  78          1HD2      LEU  78  15.976   1.250   4.942
  592   2HD2  LEU  78          2HD2      LEU  78  17.414   1.754   5.830
  593   3HD2  LEU  78          3HD2      LEU  78  17.266   2.118   4.110
  594    H    GLN  79           H        GLN  79  15.003   6.203   2.454
  595    HA   GLN  79           HA       GLN  79  16.725   8.079   3.950
  596   1HB   GLN  79          2HB       GLN  79  17.402   6.764   1.310
  597   2HB   GLN  79          1HB       GLN  79  18.401   7.925   2.174
  598   1HG   GLN  79          2HG       GLN  79  17.629   5.201   3.199
  599   2HG   GLN  79          1HG       GLN  79  19.169   5.607   2.445
  600   1HE2  GLN  79          1HE2      GLN  79  17.755   5.086   5.314
  601   2HE2  GLN  79          2HE2      GLN  79  18.757   6.050   6.338
  602    H    GLN  80           H        GLN  80  14.017   8.442   2.910
  603    HA   GLN  80           HA       GLN  80  14.600  10.649   1.058
  604   1HB   GLN  80          2HB       GLN  80  13.446   8.806  -0.117
  605   2HB   GLN  80          1HB       GLN  80  12.119   8.926   1.028
  606   1HG   GLN  80          2HG       GLN  80  11.523  10.035  -1.014
  607   2HG   GLN  80          1HG       GLN  80  11.701  11.229   0.271
  608   1HE2  GLN  80          1HE2      GLN  80  12.354  10.618  -2.870
  609   2HE2  GLN  80          2HE2      GLN  80  13.706  11.668  -3.106
  610    H    GLY  81           H        GLY  81  11.364  10.052   2.097
  611   1HA   GLY  81          2HA       GLY  81   9.925  11.237   3.425
  612   2HA   GLY  81          1HA       GLY  81  11.288  11.450   4.516
  613    H    ARG  82           H        ARG  82  12.259  12.686   1.631
  614    HA   ARG  82           HA       ARG  82  12.669  14.779   0.875
  615   1HB   ARG  82          2HB       ARG  82   9.846  15.201   1.861
  616   2HB   ARG  82          1HB       ARG  82  10.732  16.358   0.879
  617   1HG   ARG  82          2HG       ARG  82  10.047  13.543   0.059
  618   2HG   ARG  82          1HG       ARG  82   9.185  14.997  -0.445
  619   1HD   ARG  82          2HD       ARG  82  12.077  14.350  -1.016
  620   2HD   ARG  82          1HD       ARG  82  10.745  14.263  -2.169
  621    HE   ARG  82           HE       ARG  82  12.222  16.561  -1.509
  622   1HH1  ARG  82          1HH1      ARG  82   8.937  15.550  -2.094
  623   2HH1  ARG  82          2HH1      ARG  82   8.415  17.113  -2.626
  624   1HH2  ARG  82          1HH2      ARG  82  11.542  18.619  -2.212
  625   2HH2  ARG  82          2HH2      ARG  82   9.895  18.856  -2.693
  626    H    VAL  83           H        VAL  83  13.616  14.203   3.483
  627    HA   VAL  83           HA       VAL  83  13.536  16.908   4.650
  628    HB   VAL  83           HB       VAL  83  13.948  14.422   6.296
  629   1HG1  VAL  83          1HG1      VAL  83  12.869  16.770   7.606
  630   2HG1  VAL  83          2HG1      VAL  83  14.414  17.100   6.819
  631   3HG1  VAL  83          3HG1      VAL  83  14.289  15.802   8.005
  632   1HG2  VAL  83          1HG2      VAL  83  11.600  14.801   7.096
  633   2HG2  VAL  83          2HG2      VAL  83  11.722  14.227   5.431
  634   3HG2  VAL  83          3HG2      VAL  83  11.388  15.929   5.755
  635    H    ARG  84           H        ARG  84  15.420  13.921   5.229
  636    HA   ARG  84           HA       ARG  84  17.808  14.865   4.073
  637   1HB   ARG  84          2HB       ARG  84  17.631  16.518   5.906
  638   2HB   ARG  84          1HB       ARG  84  17.629  15.205   7.072
  639   1HG   ARG  84          2HG       ARG  84  19.792  16.227   6.960
  640   2HG   ARG  84          1HG       ARG  84  19.882  14.576   6.352
  641   1HD   ARG  84          2HD       ARG  84  19.798  15.428   4.054
  642   2HD   ARG  84          1HD       ARG  84  19.725  17.077   4.670
  643    HE   ARG  84           HE       ARG  84  22.053  15.541   4.288
  644   1HH1  ARG  84          1HH1      ARG  84  20.633  17.767   6.569
  645   2HH1  ARG  84          2HH1      ARG  84  22.160  18.322   7.169
  646   1HH2  ARG  84          1HH2      ARG  84  24.062  16.269   5.074
  647   2HH2  ARG  84          2HH2      ARG  84  24.107  17.471   6.320
  648    H    LYS  85           H        LYS  85  16.805  12.483   3.755
  649    HA   LYS  85           HA       LYS  85  17.188  10.246   3.893
  650   1HB   LYS  85          2HB       LYS  85  19.723  11.107   5.301
  651   2HB   LYS  85          1HB       LYS  85  19.419   9.518   4.609
  652   1HG   LYS  85          2HG       LYS  85  19.267  10.505   2.384
  653   2HG   LYS  85          1HG       LYS  85  19.549  12.105   3.071
  654   1HD   LYS  85          2HD       LYS  85  21.746  11.347   3.882
  655   2HD   LYS  85          1HD       LYS  85  21.460   9.769   3.146
  656   1HE   LYS  85          2HE       LYS  85  21.652  12.416   1.711
  657   2HE   LYS  85          1HE       LYS  85  22.860  11.131   1.706
  658   1HZ   LYS  85          1HZ       LYS  85  20.622  11.441   0.033
  659   2HZ   LYS  85          2HZ       LYS  85  20.443  10.006   0.909
  660   3HZ   LYS  85          3HZ       LYS  85  21.828  10.257  -0.028
  661    H    ALA  86           H        ALA  86  15.881   9.107   5.138
  662    HA   ALA  86           HA       ALA  86  14.993   8.043   6.940
  663   1HB   ALA  86          1HB       ALA  86  16.392   7.296   8.548
  664   2HB   ALA  86          2HB       ALA  86  17.089   8.890   8.839
  665   3HB   ALA  86          3HB       ALA  86  17.620   7.936   7.455
  666    H    GLU  87           H        GLU  87  15.255  11.222   6.578
  667    HA   GLU  87           HA       GLU  87  14.588  13.107   7.706
  668   1HB   GLU  87          2HB       GLU  87  12.120  12.882   8.311
  669   2HB   GLU  87          1HB       GLU  87  12.584  12.538   6.652
  670   1HG   GLU  87          2HG       GLU  87  12.561  10.124   7.192
  671   2HG   GLU  87          1HG       GLU  87  11.975  10.527   8.805
  672    H    ARG  88           H        ARG  88  12.463  11.429   9.846
  673    HA   ARG  88           HA       ARG  88  12.443  11.052  12.088
  674   1HB   ARG  88          2HB       ARG  88  15.387  11.700  11.928
  675   2HB   ARG  88          1HB       ARG  88  14.567  11.270  13.421
  676   1HG   ARG  88          2HG       ARG  88  13.972   9.101  12.479
  677   2HG   ARG  88          1HG       ARG  88  14.785   9.532  10.974
  678   1HD   ARG  88          2HD       ARG  88  16.218   8.134  12.353
  679   2HD   ARG  88          1HD       ARG  88  16.901   9.751  12.179
  680    HE   ARG  88           HE       ARG  88  15.351   9.653  14.519
  681   1HH1  ARG  88          1HH1      ARG  88  18.345   8.425  13.225
  682   2HH1  ARG  88          2HH1      ARG  88  19.108   8.292  14.774
  683   1HH2  ARG  88          1HH2      ARG  88  16.349   9.482  16.560
  684   2HH2  ARG  88          2HH2      ARG  88  17.974   8.892  16.669
  685    H    TRP  89           H        TRP  89  11.768  13.537  10.855
  686    HA   TRP  89           HA       TRP  89  12.421  15.436  13.011
  687   1HB   TRP  89          2HB       TRP  89  11.602  15.933  10.145
  688   2HB   TRP  89          1HB       TRP  89  11.657  17.199  11.366
  689    HD1  TRP  89           HD       TRP  89  14.304  14.439  10.688
  690    HE1  TRP  89           1HE      TRP  89  16.549  15.601  10.206
  691    HE3  TRP  89           3HE      TRP  89  12.746  19.307  10.830
  692    HZ2  TRP  89           2HZ      TRP  89  17.529  18.232   9.921
  693    HZ3  TRP  89           3HZ      TRP  89  14.401  21.085  10.442
  694    HH2  TRP  89           HH       TRP  89  16.743  20.558   9.997
  695    H    GLY  90           H        GLY  90  10.028  13.441  11.805
  696   1HA   GLY  90          2HA       GLY  90   8.094  14.331  13.671
  697   2HA   GLY  90          1HA       GLY  90   7.677  14.911  12.066
  698    HA   PRO  91           HA       PRO  91   6.048  10.543  12.679
  699   1HB   PRO  91          2HB       PRO  91   3.417  11.089  12.443
  700   2HB   PRO  91          1HB       PRO  91   4.271  11.225  13.986
  701   1HG   PRO  91          2HG       PRO  91   3.520  13.369  12.039
  702   2HG   PRO  91          1HG       PRO  91   3.388  13.368  13.806
  703   1HD   PRO  91          2HD       PRO  91   5.415  14.591  12.474
  704   2HD   PRO  91          1HD       PRO  91   5.601  13.898  14.096
  705    H    ARG  92           H        ARG  92   7.256  10.842  10.461
  706    HA   ARG  92           HA       ARG  92   5.268  10.790   8.280
  707   1HB   ARG  92          2HB       ARG  92   8.228  11.411   8.145
  708   2HB   ARG  92          1HB       ARG  92   7.133  11.372   6.770
  709   1HG   ARG  92          2HG       ARG  92   5.857  13.225   7.745
  710   2HG   ARG  92          1HG       ARG  92   6.987  13.274   9.102
  711   1HD   ARG  92          2HD       ARG  92   8.820  13.757   7.542
  712   2HD   ARG  92          1HD       ARG  92   7.678  13.729   6.200
  713    HE   ARG  92           HE       ARG  92   7.190  15.889   6.701
  714   1HH1  ARG  92          1HH1      ARG  92   8.297  14.340   9.623
  715   2HH1  ARG  92          2HH1      ARG  92   8.186  15.781  10.579
  716   1HH2  ARG  92          1HH2      ARG  92   7.044  17.785   7.953
  717   2HH2  ARG  92          2HH2      ARG  92   7.475  17.737   9.630
  718    H    THR  93           H        THR  93   7.629   9.716   6.592
  719    HA   THR  93           HA       THR  93   8.645   7.776   6.047
  720    HB   THR  93           HB       THR  93   7.495   6.658   8.614
  721    HG1  THR  93           1HG      THR  93  10.185   7.334   8.118
  722   1HG2  THR  93          1HG2      THR  93   9.460   5.039   8.316
  723   2HG2  THR  93          2HG2      THR  93   9.382   5.493   6.612
  724   3HG2  THR  93          3HG2      THR  93   7.984   4.754   7.393
  725    H    LEU  94           H        LEU  94   8.141   5.972   4.905
  726    HA   LEU  94           HA       LEU  94   5.281   5.653   4.334
  727   1HB   LEU  94          2HB       LEU  94   6.589   6.591   2.529
  728   2HB   LEU  94          1HB       LEU  94   7.743   5.290   2.632
  729    HG   LEU  94           HG       LEU  94   4.888   4.973   1.754
  730   1HD1  LEU  94          1HD1      LEU  94   6.058   4.590  -0.486
  731   2HD1  LEU  94          2HD1      LEU  94   7.436   5.417   0.250
  732   3HD1  LEU  94          3HD1      LEU  94   5.886   6.251   0.086
  733   1HD2  LEU  94          1HD2      LEU  94   5.500   2.845   2.433
  734   2HD2  LEU  94          2HD2      LEU  94   7.192   3.090   2.001
  735   3HD2  LEU  94          3HD2      LEU  94   5.988   2.842   0.738
  736    H    ASP  95           H        ASP  95   4.353   3.684   4.366
  737    HA   ASP  95           HA       ASP  95   6.017   1.309   4.857
  738   1HB   ASP  95          2HB       ASP  95   3.469   2.063   6.316
  739   2HB   ASP  95          1HB       ASP  95   4.258   0.495   6.436
  740    H    LEU  96           H        LEU  96   5.659  -0.074   3.218
  741    HA   LEU  96           HA       LEU  96   2.923  -0.283   2.178
  742   1HB   LEU  96          2HB       LEU  96   3.675  -0.251  -0.093
  743   2HB   LEU  96          1HB       LEU  96   4.238   1.191   0.721
  744    HG   LEU  96           HG       LEU  96   6.066   0.618  -0.551
  745   1HD1  LEU  96          1HD1      LEU  96   7.763  -0.493   0.920
  746   2HD1  LEU  96          2HD1      LEU  96   6.471  -0.716   2.100
  747   3HD1  LEU  96          3HD1      LEU  96   6.942   0.910   1.608
  748   1HD2  LEU  96          1HD2      LEU  96   5.641  -2.291   0.104
  749   2HD2  LEU  96          2HD2      LEU  96   6.846  -1.625  -1.000
  750   3HD2  LEU  96          3HD2      LEU  96   5.129  -1.493  -1.385
  751    H    ASP  97           H        ASP  97   2.202  -2.241   1.636
  752    HA   ASP  97           HA       ASP  97   4.004  -4.500   1.318
  753   1HB   ASP  97          2HB       ASP  97   2.876  -5.849   3.040
  754   2HB   ASP  97          1HB       ASP  97   3.664  -4.443   3.752
  755    H    ILE  98           H        ILE  98   3.412  -5.736  -0.128
  756    HA   ILE  98           HA       ILE  98   1.152  -5.328  -1.709
  757    HB   ILE  98           HB       ILE  98   3.319  -6.382  -2.404
  758   1HG1  ILE  98          2HG1      ILE  98   0.792  -7.898  -2.931
  759   2HG1  ILE  98          1HG1      ILE  98   1.346  -6.476  -3.801
  760   1HG2  ILE  98          1HG2      ILE  98   4.062  -8.096  -1.192
  761   2HG2  ILE  98          2HG2      ILE  98   2.812  -9.077  -1.964
  762   3HG2  ILE  98          3HG2      ILE  98   2.496  -8.307  -0.409
  763   1HD1  ILE  98          1HD1      ILE  98   2.594  -9.213  -3.805
  764   2HD1  ILE  98          2HD1      ILE  98   3.335  -7.786  -4.530
  765   3HD1  ILE  98          3HD1      ILE  98   1.798  -8.391  -5.148
  766    H    MET  99           H        MET  99  -0.834  -6.413  -1.845
  767    HA   MET  99           HA       MET  99  -1.513  -8.076   0.452
  768   1HB   MET  99          2HB       MET  99  -3.496  -7.013  -1.536
  769   2HB   MET  99          1HB       MET  99  -3.733  -7.392   0.163
  770   1HG   MET  99          2HG       MET  99  -1.984  -5.123  -0.711
  771   2HG   MET  99          1HG       MET  99  -3.731  -4.940  -0.547
  772   1HE   MET  99          1HE       MET  99  -4.935  -4.504   1.679
  773   2HE   MET  99          2HE       MET  99  -4.393  -5.223   3.196
  774   3HE   MET  99          3HE       MET  99  -4.775  -6.254   1.818
  775    H    LEU 100           H        LEU 100  -1.696  -7.840  -3.064
  776    HA   LEU 100           HA       LEU 100  -2.072 -10.775  -3.226
  777   1HB   LEU 100          2HB       LEU 100  -3.163  -8.591  -4.999
  778   2HB   LEU 100          1HB       LEU 100  -3.209 -10.290  -5.419
  779    HG   LEU 100           HG       LEU 100  -5.349  -9.510  -4.583
  780   1HD1  LEU 100          1HD1      LEU 100  -5.036 -11.140  -2.344
  781   2HD1  LEU 100          2HD1      LEU 100  -3.846 -11.707  -3.515
  782   3HD1  LEU 100          3HD1      LEU 100  -5.551 -11.626  -3.959
  783   1HD2  LEU 100          1HD2      LEU 100  -5.653  -8.248  -2.792
  784   2HD2  LEU 100          2HD2      LEU 100  -3.904  -8.024  -2.781
  785   3HD2  LEU 100          3HD2      LEU 100  -4.638  -9.286  -1.791
  786    H    PHE 101           H        PHE 101  -0.756 -11.912  -4.731
  787    HA   PHE 101           HA       PHE 101   1.257 -10.199  -6.051
  788   1HB   PHE 101          2HB       PHE 101   2.164 -11.743  -4.332
  789   2HB   PHE 101          1HB       PHE 101   1.569 -13.103  -5.279
  790    HD1  PHE 101           1HD      PHE 101   3.343 -14.220  -6.224
  791    HD2  PHE 101           2HD      PHE 101   3.368  -9.967  -6.203
  792    HE1  PHE 101           1HE      PHE 101   5.436 -14.229  -7.519
  793    HE2  PHE 101           2HE      PHE 101   5.458  -9.967  -7.500
  794    HZ   PHE 101           HZ       PHE 101   6.484 -12.095  -8.178
  795    H    GLY 102           H        GLY 102  -0.082  -9.885  -7.893
  796   1HA   GLY 102          2HA       GLY 102  -0.486 -10.307 -10.122
  797   2HA   GLY 102          1HA       GLY 102   0.413 -11.801  -9.949
  798    H    ASN 103           H        ASN 103  -1.345 -12.727  -7.782
  799    HA   ASN 103           HA       ASN 103  -3.597 -13.402  -7.442
  800   1HB   ASN 103          2HB       ASN 103  -4.283 -12.277  -9.669
  801   2HB   ASN 103          1HB       ASN 103  -3.857 -13.812 -10.420
  802   1HD2  ASN 103          1HD2      ASN 103  -6.263 -12.052  -8.973
  803   2HD2  ASN 103          2HD2      ASN 103  -7.375 -13.327  -8.648
  804    H    GLU 104           H        GLU 104  -0.999 -14.390  -7.556
  805    HA   GLU 104           HA       GLU 104  -1.319 -17.152  -8.482
  806   1HB   GLU 104          2HB       GLU 104   0.610 -15.746  -9.330
  807   2HB   GLU 104          1HB       GLU 104   1.214 -15.712  -7.679
  808   1HG   GLU 104          2HG       GLU 104   1.388 -18.127  -7.677
  809   2HG   GLU 104          1HG       GLU 104   0.779 -18.177  -9.329
  810    H    VAL 105           H        VAL 105  -0.916 -18.845  -7.004
  811    HA   VAL 105           HA       VAL 105  -1.338 -18.073  -4.248
  812    HB   VAL 105           HB       VAL 105  -1.044 -20.866  -5.384
  813   1HG1  VAL 105          1HG1      VAL 105  -1.204 -19.905  -2.720
  814   2HG1  VAL 105          2HG1      VAL 105  -1.173 -21.574  -3.287
  815   3HG1  VAL 105          3HG1      VAL 105  -2.714 -20.740  -3.091
  816   1HG2  VAL 105          1HG2      VAL 105  -3.623 -19.453  -4.742
  817   2HG2  VAL 105          2HG2      VAL 105  -3.399 -20.988  -5.583
  818   3HG2  VAL 105          3HG2      VAL 105  -2.920 -19.478  -6.360
  819    H    ILE 106           H        ILE 106   0.611 -17.086  -3.815
  820    HA   ILE 106           HA       ILE 106   2.767 -18.917  -3.116
  821    HB   ILE 106           HB       ILE 106   3.568 -18.144  -5.176
  822   1HG1  ILE 106          2HG1      ILE 106   4.670 -16.280  -3.061
  823   2HG1  ILE 106          1HG1      ILE 106   5.297 -17.868  -3.500
  824   1HG2  ILE 106          1HG2      ILE 106   3.543 -15.453  -5.393
  825   2HG2  ILE 106          2HG2      ILE 106   2.065 -15.724  -4.470
  826   3HG2  ILE 106          3HG2      ILE 106   2.287 -16.515  -6.030
  827   1HD1  ILE 106          1HD1      ILE 106   6.504 -17.017  -5.157
  828   2HD1  ILE 106          2HD1      ILE 106   6.120 -15.425  -4.501
  829   3HD1  ILE 106          3HD1      ILE 106   5.124 -16.115  -5.788
  830    H    ASN 107           H        ASN 107   2.497 -18.723  -1.011
  831    HA   ASN 107           HA       ASN 107   2.432 -16.079   0.234
  832   1HB   ASN 107          2HB       ASN 107   2.107 -18.676   1.702
  833   2HB   ASN 107          1HB       ASN 107   1.467 -17.086   2.109
  834   1HD2  ASN 107          1HD2      ASN 107  -0.489 -16.547   1.445
  835   2HD2  ASN 107          2HD2      ASN 107  -1.503 -17.517   0.441
  836    H    THR 108           H        THR 108   3.939 -15.401   1.663
  837    HA   THR 108           HA       THR 108   6.072 -17.174   2.526
  838    HB   THR 108           HB       THR 108   7.839 -15.599   1.798
  839    HG1  THR 108           1HG      THR 108   5.688 -14.098   1.134
  840   1HG2  THR 108          1HG2      THR 108   8.025 -16.280  -0.409
  841   2HG2  THR 108          2HG2      THR 108   6.279 -16.296  -0.654
  842   3HG2  THR 108          3HG2      THR 108   7.043 -17.542   0.335
  843    H    GLU 109           H        GLU 109   7.560 -14.500   3.118
  844    HA   GLU 109           HA       GLU 109   5.971 -13.861   5.513
  845   1HB   GLU 109          2HB       GLU 109   8.964 -13.674   5.106
  846   2HB   GLU 109          1HB       GLU 109   8.110 -13.208   6.572
  847   1HG   GLU 109          2HG       GLU 109   7.356 -15.525   6.855
  848   2HG   GLU 109          1HG       GLU 109   8.253 -15.980   5.406
  849    H    ARG 110           H        ARG 110   7.737 -12.594   2.798
  850    HA   ARG 110           HA       ARG 110   6.819  -9.881   3.503
  851   1HB   ARG 110          2HB       ARG 110   9.346 -10.303   3.350
  852   2HB   ARG 110          1HB       ARG 110   9.097 -10.514   1.623
  853   1HG   ARG 110          2HG       ARG 110   8.163  -8.241   1.504
  854   2HG   ARG 110          1HG       ARG 110   8.510  -8.035   3.222
  855   1HD   ARG 110          2HD       ARG 110  10.507  -8.525   1.017
  856   2HD   ARG 110          1HD       ARG 110  10.273  -7.027   1.917
  857    HE   ARG 110           HE       ARG 110  11.896  -9.185   2.684
  858   1HH1  ARG 110          1HH1      ARG 110   9.586  -6.953   4.046
  859   2HH1  ARG 110          2HH1      ARG 110  10.271  -7.020   5.636
  860   1HH2  ARG 110          1HH2      ARG 110  12.800  -9.273   4.770
  861   2HH2  ARG 110          2HH2      ARG 110  12.097  -8.337   6.047
  862    H    LEU 111           H        LEU 111   5.938 -12.413   1.791
  863    HA   LEU 111           HA       LEU 111   4.682 -10.792  -0.265
  864   1HB   LEU 111          2HB       LEU 111   6.615 -11.434  -1.450
  865   2HB   LEU 111          1HB       LEU 111   6.550 -13.072  -0.833
  866    HG   LEU 111           HG       LEU 111   4.704 -13.624  -2.252
  867   1HD1  LEU 111          1HD1      LEU 111   4.328 -10.758  -2.285
  868   2HD1  LEU 111          2HD1      LEU 111   3.186 -12.052  -2.656
  869   3HD1  LEU 111          3HD1      LEU 111   4.275 -11.448  -3.907
  870   1HD2  LEU 111          1HD2      LEU 111   5.763 -13.595  -4.304
  871   2HD2  LEU 111          2HD2      LEU 111   7.106 -13.348  -3.188
  872   3HD2  LEU 111          3HD2      LEU 111   6.419 -11.976  -4.060
  873    H    THR 112           H        THR 112   2.805 -11.261   1.006
  874    HA   THR 112           HA       THR 112   1.838 -14.026   0.800
  875    HB   THR 112           HB       THR 112   1.742 -13.072   3.051
  876    HG1  THR 112           1HG      THR 112  -0.123 -13.973   3.359
  877   1HG2  THR 112          1HG2      THR 112  -0.396 -11.225   2.791
  878   2HG2  THR 112          2HG2      THR 112   0.934 -10.702   1.758
  879   3HG2  THR 112          3HG2      THR 112   1.208 -10.978   3.477
  880    H    VAL 113           H        VAL 113   0.227 -14.521  -0.607
  881    HA   VAL 113           HA       VAL 113  -0.751 -12.355  -2.286
  882    HB   VAL 113           HB       VAL 113  -0.135 -13.940  -3.754
  883   1HG1  VAL 113          1HG1      VAL 113  -0.217 -15.665  -1.482
  884   2HG1  VAL 113          2HG1      VAL 113   0.759 -15.767  -2.947
  885   3HG1  VAL 113          3HG1      VAL 113  -0.854 -16.480  -2.909
  886   1HG2  VAL 113          1HG2      VAL 113  -2.147 -15.537  -4.246
  887   2HG2  VAL 113          2HG2      VAL 113  -2.302 -13.797  -4.496
  888   3HG2  VAL 113          3HG2      VAL 113  -2.963 -14.541  -3.041
  889    HA   PRO 114           HA       PRO 114  -5.142 -14.152  -0.981
  890   1HB   PRO 114          2HB       PRO 114  -4.221 -15.481   1.537
  891   2HB   PRO 114          1HB       PRO 114  -5.569 -15.909   0.476
  892   1HG   PRO 114          2HG       PRO 114  -3.355 -17.343   0.397
  893   2HG   PRO 114          1HG       PRO 114  -4.178 -16.886  -1.114
  894   1HD   PRO 114          2HD       PRO 114  -1.718 -15.727   0.131
  895   2HD   PRO 114          1HD       PRO 114  -2.086 -16.065  -1.572
  896    H    HIS 115           H        HIS 115  -2.475 -13.376   1.022
  897    HA   HIS 115           HA       HIS 115  -1.968 -11.708   2.427
  898   1HB   HIS 115          2HB       HIS 115  -3.148 -10.428   0.541
  899   2HB   HIS 115          1HB       HIS 115  -4.501 -10.307   1.659
  900    HD1  HIS 115           1HD      HIS 115  -0.768  -9.559   1.752
  901    HD2  HIS 115           2HD      HIS 115  -4.364  -8.140   3.269
  902    HE1  HIS 115           1HE      HIS 115  -0.168  -7.529   3.110
  903    HE2  HIS 115           2HE      HIS 115  -2.358  -6.701   4.041
  904    H    TYR 116           H        TYR 116  -2.081 -11.526   4.512
  905    HA   TYR 116           HA       TYR 116  -4.595 -12.257   5.853
  906   1HB   TYR 116          2HB       TYR 116  -1.764 -12.327   6.932
  907   2HB   TYR 116          1HB       TYR 116  -3.209 -12.806   7.816
  908    HD1  TYR 116           1HD      TYR 116  -1.613 -13.578   4.516
  909    HD2  TYR 116           2HD      TYR 116  -3.562 -15.075   7.987
  910    HE1  TYR 116           1HE      TYR 116  -1.378 -15.868   3.652
  911    HE2  TYR 116           2HE      TYR 116  -3.328 -17.370   7.139
  912    HH   TYR 116           HH       TYR 116  -1.589 -18.527   5.417
  913    H    ASP 117           H        ASP 117  -5.701 -10.567   6.513
  914    HA   ASP 117           HA       ASP 117  -6.003  -8.837   8.111
  915   1HB   ASP 117          2HB       ASP 117  -3.260  -7.929   7.236
  916   2HB   ASP 117          1HB       ASP 117  -4.333  -6.969   8.249
  917    H    MET 118           H        MET 118  -5.766  -9.117   4.837
  918    HA   MET 118           HA       MET 118  -6.127  -6.459   3.963
  919   1HB   MET 118          2HB       MET 118  -7.547  -7.763   2.080
  920   2HB   MET 118          1HB       MET 118  -5.772  -7.722   2.092
  921   1HG   MET 118          2HG       MET 118  -6.454  -9.951   1.686
  922   2HG   MET 118          1HG       MET 118  -5.817  -9.893   3.322
  923   1HE   MET 118          1HE       MET 118  -8.788 -12.593   3.041
  924   2HE   MET 118          2HE       MET 118  -7.183 -12.432   3.754
  925   3HE   MET 118          3HE       MET 118  -7.408 -12.177   2.024
  926    H    LYS 119           H        LYS 119  -8.458  -8.945   4.926
  927    HA   LYS 119           HA       LYS 119 -10.801  -7.464   4.478
  928   1HB   LYS 119          2HB       LYS 119 -11.847  -9.053   6.073
  929   2HB   LYS 119          1HB       LYS 119 -10.879  -9.861   4.848
  930   1HG   LYS 119          2HG       LYS 119  -9.083 -10.195   6.418
  931   2HG   LYS 119          1HG       LYS 119  -9.936  -9.257   7.644
  932   1HD   LYS 119          2HD       LYS 119 -10.169 -11.643   8.067
  933   2HD   LYS 119          1HD       LYS 119 -11.730 -10.929   7.665
  934   1HE   LYS 119          2HE       LYS 119 -11.462 -13.059   6.535
  935   2HE   LYS 119          1HE       LYS 119 -11.497 -11.744   5.363
  936   1HZ   LYS 119          1HZ       LYS 119  -8.856 -12.027   5.945
  937   2HZ   LYS 119          2HZ       LYS 119  -9.635 -12.636   4.573
  938   3HZ   LYS 119          3HZ       LYS 119  -9.415 -13.625   5.928
  939    H    ASN 120           H        ASN 120  -8.306  -6.976   6.611
  940    HA   ASN 120           HA       ASN 120  -9.964  -5.557   8.572
  941   1HB   ASN 120          2HB       ASN 120  -8.469  -7.173   9.552
  942   2HB   ASN 120          1HB       ASN 120  -7.104  -6.532   8.648
  943   1HD2  ASN 120          1HD2      ASN 120  -5.766  -5.527   9.902
  944   2HD2  ASN 120          2HD2      ASN 120  -6.172  -4.498  11.234
  945    H    ARG 121           H        ARG 121  -9.145  -4.681   5.789
  946    HA   ARG 121           HA       ARG 121  -8.312  -1.999   6.561
  947   1HB   ARG 121          2HB       ARG 121  -6.836  -3.617   4.478
  948   2HB   ARG 121          1HB       ARG 121  -6.605  -1.899   4.767
  949   1HG   ARG 121          2HG       ARG 121  -5.833  -2.383   7.035
  950   2HG   ARG 121          1HG       ARG 121  -6.064  -4.109   6.741
  951   1HD   ARG 121          2HD       ARG 121  -4.431  -3.998   4.909
  952   2HD   ARG 121          1HD       ARG 121  -4.183  -2.287   5.246
  953    HE   ARG 121           HE       ARG 121  -2.942  -4.438   6.564
  954   1HH1  ARG 121          1HH1      ARG 121  -4.408  -1.345   7.244
  955   2HH1  ARG 121          2HH1      ARG 121  -3.479  -1.080   8.681
  956   1HH2  ARG 121          1HH2      ARG 121  -1.719  -4.090   8.452
  957   2HH2  ARG 121          2HH2      ARG 121  -1.952  -2.637   9.366
  958    H    GLY 122           H        GLY 122 -10.277  -1.174   5.950
  959   1HA   GLY 122          2HA       GLY 122 -11.352  -1.711   3.280
  960   2HA   GLY 122          1HA       GLY 122 -12.087  -0.714   4.538
  961    H    PHE 123           H        PHE 123  -9.307   0.534   4.809
  962    HA   PHE 123           HA       PHE 123  -9.809   2.662   2.913
  963   1HB   PHE 123          2HB       PHE 123  -7.732   3.647   4.151
  964   2HB   PHE 123          1HB       PHE 123  -9.283   3.567   4.978
  965    HD1  PHE 123           1HD      PHE 123  -6.641   0.985   4.399
  966    HD2  PHE 123           2HD      PHE 123  -8.885   3.256   7.214
  967    HE1  PHE 123           1HE      PHE 123  -5.599  -0.271   6.241
  968    HE2  PHE 123           2HE      PHE 123  -7.846   2.005   9.059
  969    HZ   PHE 123           HZ       PHE 123  -6.201   0.238   8.574
  970    H    MET 124           H        MET 124  -8.440  -0.183   2.546
  971    HA   MET 124           HA       MET 124  -6.423   0.847   0.675
  972   1HB   MET 124          2HB       MET 124  -6.157  -1.573   2.463
  973   2HB   MET 124          1HB       MET 124  -5.065  -1.199   1.137
  974   1HG   MET 124          2HG       MET 124  -4.506   0.933   2.242
  975   2HG   MET 124          1HG       MET 124  -5.529   0.464   3.597
  976   1HE   MET 124          1HE       MET 124  -3.167   0.467   5.535
  977   2HE   MET 124          2HE       MET 124  -2.988   1.466   4.094
  978   3HE   MET 124          3HE       MET 124  -1.695   0.364   4.566
  979    H    LEU 125           H        LEU 125  -8.603  -1.847   1.489
  980    HA   LEU 125           HA       LEU 125  -8.301  -3.080  -1.045
  981   1HB   LEU 125          2HB       LEU 125 -10.352  -3.483   1.105
  982   2HB   LEU 125          1HB       LEU 125 -10.197  -4.488  -0.318
  983    HG   LEU 125           HG       LEU 125  -8.240  -4.206   1.945
  984   1HD1  LEU 125          1HD1      LEU 125  -9.823  -6.534   0.898
  985   2HD1  LEU 125          2HD1      LEU 125 -10.107  -5.656   2.404
  986   3HD1  LEU 125          3HD1      LEU 125  -8.632  -6.603   2.197
  987   1HD2  LEU 125          1HD2      LEU 125  -7.787  -4.982  -0.820
  988   2HD2  LEU 125          2HD2      LEU 125  -7.320  -6.234   0.330
  989   3HD2  LEU 125          3HD2      LEU 125  -6.627  -4.618   0.457
  990    H    TRP 126           H        TRP 126 -10.787  -0.994   0.400
  991    HA   TRP 126           HA       TRP 126 -12.600  -1.072  -1.717
  992   1HB   TRP 126          2HB       TRP 126 -13.257  -0.112   0.374
  993   2HB   TRP 126          1HB       TRP 126 -11.980   1.092   0.294
  994    HD1  TRP 126           HD       TRP 126 -13.495   3.166   0.429
  995    HE1  TRP 126           1HE      TRP 126 -15.202   4.253  -1.162
  996    HE3  TRP 126           3HE      TRP 126 -14.061  -0.669  -2.906
  997    HZ2  TRP 126           2HZ      TRP 126 -16.614   3.571  -3.504
  998    HZ3  TRP 126           3HZ      TRP 126 -15.617  -0.371  -4.789
  999    HH2  TRP 126           HH       TRP 126 -16.866   1.705  -5.079
 1000    HA   PRO 127           HA       PRO 127 -10.212   2.889  -3.517
 1001   1HB   PRO 127          2HB       PRO 127  -7.474   2.497  -3.013
 1002   2HB   PRO 127          1HB       PRO 127  -8.491   3.743  -2.290
 1003   1HG   PRO 127          2HG       PRO 127  -7.641   1.115  -1.189
 1004   2HG   PRO 127          1HG       PRO 127  -7.916   2.653  -0.352
 1005   1HD   PRO 127          2HD       PRO 127  -9.682   0.650  -0.183
 1006   2HD   PRO 127          1HD       PRO 127 -10.213   2.343  -0.274
 1007    H    LEU 128           H        LEU 128  -8.498  -0.170  -3.003
 1008    HA   LEU 128           HA       LEU 128  -7.476  -0.401  -5.639
 1009   1HB   LEU 128          2HB       LEU 128  -6.656  -1.585  -3.547
 1010   2HB   LEU 128          1HB       LEU 128  -8.042  -2.642  -3.694
 1011    HG   LEU 128           HG       LEU 128  -5.959  -3.642  -4.550
 1012   1HD1  LEU 128          1HD1      LEU 128  -7.572  -3.336  -6.990
 1013   2HD1  LEU 128          2HD1      LEU 128  -8.386  -3.952  -5.551
 1014   3HD1  LEU 128          3HD1      LEU 128  -6.971  -4.789  -6.192
 1015   1HD2  LEU 128          1HD2      LEU 128  -5.394  -1.210  -5.572
 1016   2HD2  LEU 128          2HD2      LEU 128  -5.962  -2.059  -7.010
 1017   3HD2  LEU 128          3HD2      LEU 128  -4.615  -2.710  -6.075
 1018    H    PHE 129           H        PHE 129 -10.443  -1.339  -4.043
 1019    HA   PHE 129           HA       PHE 129 -11.472  -3.150  -5.891
 1020   1HB   PHE 129          2HB       PHE 129 -12.425  -2.380  -3.599
 1021   2HB   PHE 129          1HB       PHE 129 -13.207  -1.102  -4.522
 1022    HD1  PHE 129           1HD      PHE 129 -14.868  -1.689  -6.269
 1023    HD2  PHE 129           2HD      PHE 129 -13.255  -4.598  -3.597
 1024    HE1  PHE 129           1HE      PHE 129 -16.724  -3.210  -6.806
 1025    HE2  PHE 129           2HE      PHE 129 -15.106  -6.123  -4.148
 1026    HZ   PHE 129           HZ       PHE 129 -16.843  -5.431  -5.751
 1027    H    GLU 130           H        GLU 130 -10.997   0.250  -6.031
 1028    HA   GLU 130           HA       GLU 130 -12.753   0.715  -8.270
 1029   1HB   GLU 130          2HB       GLU 130 -10.678   2.411  -6.888
 1030   2HB   GLU 130          1HB       GLU 130 -11.550   2.958  -8.315
 1031   1HG   GLU 130          2HG       GLU 130 -12.838   2.110  -5.730
 1032   2HG   GLU 130          1HG       GLU 130 -12.515   3.779  -6.200
 1033    H    ILE 131           H        ILE 131  -9.245   0.321  -7.761
 1034    HA   ILE 131           HA       ILE 131  -8.818   0.506 -10.646
 1035    HB   ILE 131           HB       ILE 131  -6.390   0.128 -10.033
 1036   1HG1  ILE 131          2HG1      ILE 131  -7.498   0.619  -7.260
 1037   2HG1  ILE 131          1HG1      ILE 131  -6.745  -0.869  -7.827
 1038   1HG2  ILE 131          1HG2      ILE 131  -6.234   2.338 -10.187
 1039   2HG2  ILE 131          2HG2      ILE 131  -6.982   2.566  -8.606
 1040   3HG2  ILE 131          3HG2      ILE 131  -7.991   2.402 -10.043
 1041   1HD1  ILE 131          1HD1      ILE 131  -5.035   0.137  -6.669
 1042   2HD1  ILE 131          2HD1      ILE 131  -5.495   1.759  -7.187
 1043   3HD1  ILE 131          3HD1      ILE 131  -4.709   0.660  -8.321
 1044    H    ALA 132           H        ALA 132  -9.905  -1.760  -8.672
 1045    HA   ALA 132           HA       ALA 132  -9.757  -3.931 -10.370
 1046   1HB   ALA 132          1HB       ALA 132  -7.292  -3.583  -8.963
 1047   2HB   ALA 132          2HB       ALA 132  -7.743  -4.843 -10.110
 1048   3HB   ALA 132          3HB       ALA 132  -8.077  -5.054  -8.390
 1049    HA   PRO 133           HA       PRO 133 -12.600  -4.581  -6.928
 1050   1HB   PRO 133          2HB       PRO 133 -14.588  -5.559  -8.629
 1051   2HB   PRO 133          1HB       PRO 133 -14.370  -3.880  -8.137
 1052   1HG   PRO 133          2HG       PRO 133 -14.055  -4.944 -10.740
 1053   2HG   PRO 133          1HG       PRO 133 -13.637  -3.312 -10.199
 1054   1HD   PRO 133          2HD       PRO 133 -11.893  -5.696 -10.561
 1055   2HD   PRO 133          1HD       PRO 133 -11.505  -3.975 -10.752
 1056    H    GLU 134           H        GLU 134 -11.012  -6.890  -8.772
 1057    HA   GLU 134           HA       GLU 134 -12.012  -8.997  -7.020
 1058   1HB   GLU 134          2HB       GLU 134 -12.033  -9.241 -10.032
 1059   2HB   GLU 134          1HB       GLU 134 -12.292 -10.576  -8.919
 1060   1HG   GLU 134          2HG       GLU 134 -14.286  -9.461  -8.050
 1061   2HG   GLU 134          1HG       GLU 134 -14.030  -8.132  -9.181
 1062    H    LEU 135           H        LEU 135  -9.623  -8.000  -6.564
 1063    HA   LEU 135           HA       LEU 135  -7.684  -9.599  -8.068
 1064   1HB   LEU 135          2HB       LEU 135  -7.583  -7.004  -7.293
 1065   2HB   LEU 135          1HB       LEU 135  -6.695  -7.770  -5.990
 1066    HG   LEU 135           HG       LEU 135  -6.039  -7.935  -8.932
 1067   1HD1  LEU 135          1HD1      LEU 135  -4.733  -6.511  -6.626
 1068   2HD1  LEU 135          2HD1      LEU 135  -5.454  -5.794  -8.068
 1069   3HD1  LEU 135          3HD1      LEU 135  -3.975  -6.745  -8.200
 1070   1HD2  LEU 135          1HD2      LEU 135  -4.329  -8.993  -6.710
 1071   2HD2  LEU 135          2HD2      LEU 135  -4.255  -9.342  -8.437
 1072   3HD2  LEU 135          3HD2      LEU 135  -5.571  -9.995  -7.462
 1073    H    VAL 136           H        VAL 136  -9.045  -9.331  -4.821
 1074    HA   VAL 136           HA       VAL 136  -7.026 -10.930  -3.583
 1075    HB   VAL 136           HB       VAL 136  -9.829 -10.430  -2.581
 1076   1HG1  VAL 136          1HG1      VAL 136  -8.808 -10.852  -0.365
 1077   2HG1  VAL 136          2HG1      VAL 136  -7.312 -11.315  -1.174
 1078   3HG1  VAL 136          3HG1      VAL 136  -8.775 -12.267  -1.417
 1079   1HG2  VAL 136          1HG2      VAL 136  -7.701  -8.617  -2.977
 1080   2HG2  VAL 136          2HG2      VAL 136  -7.836  -8.900  -1.242
 1081   3HG2  VAL 136          3HG2      VAL 136  -9.235  -8.337  -2.155
 1082    H    PHE 137           H        PHE 137  -8.996 -11.754  -5.916
 1083    HA   PHE 137           HA       PHE 137 -10.508 -13.881  -5.576
 1084   1HB   PHE 137          2HB       PHE 137  -9.821 -13.050  -7.766
 1085   2HB   PHE 137          1HB       PHE 137  -8.242 -13.795  -7.559
 1086    HD1  PHE 137           1HD      PHE 137  -7.980 -15.601  -8.936
 1087    HD2  PHE 137           2HD      PHE 137 -11.755 -14.973  -7.072
 1088    HE1  PHE 137           1HE      PHE 137  -8.824 -17.675  -9.955
 1089    HE2  PHE 137           2HE      PHE 137 -12.604 -17.048  -8.085
 1090    HZ   PHE 137           HZ       PHE 137 -11.137 -18.402  -9.528
 1091    HA   PRO 138           HA       PRO 138  -6.150 -16.716  -5.200
 1092   1HB   PRO 138          2HB       PRO 138  -5.911 -14.908  -2.772
 1093   2HB   PRO 138          1HB       PRO 138  -4.677 -15.951  -3.514
 1094   1HG   PRO 138          2HG       PRO 138  -4.860 -13.353  -4.144
 1095   2HG   PRO 138          1HG       PRO 138  -4.419 -14.572  -5.351
 1096   1HD   PRO 138          2HD       PRO 138  -6.845 -12.964  -5.164
 1097   2HD   PRO 138          1HD       PRO 138  -6.279 -13.965  -6.513
 1098    H    ASP 139           H        ASP 139  -8.031 -15.358  -2.503
 1099    HA   ASP 139           HA       ASP 139  -9.789 -17.470  -2.187
 1100   1HB   ASP 139          2HB       ASP 139  -8.970 -18.588  -0.152
 1101   2HB   ASP 139          1HB       ASP 139  -7.902 -18.860  -1.522
 1102    H    GLY 140           H        GLY 140  -9.606 -14.662  -2.145
 1103   1HA   GLY 140          2HA       GLY 140 -10.941 -14.144   0.412
 1104   2HA   GLY 140          1HA       GLY 140  -9.653 -13.064  -0.114
 1105    H    GLU 141           H        GLU 141 -11.559 -14.483  -2.561
 1106    HA   GLU 141           HA       GLU 141 -13.049 -13.674  -4.069
 1107   1HB   GLU 141          2HB       GLU 141 -14.081 -11.741  -2.028
 1108   2HB   GLU 141          1HB       GLU 141 -14.966 -12.645  -3.246
 1109   1HG   GLU 141          2HG       GLU 141 -13.741 -13.720  -0.727
 1110   2HG   GLU 141          1HG       GLU 141 -15.456 -13.506  -1.059
 1111    H    MET 142           H        MET 142 -13.257 -10.608  -2.473
 1112    HA   MET 142           HA       MET 142 -11.605  -9.379  -4.578
 1113   1HB   MET 142          2HB       MET 142 -14.044  -8.168  -3.288
 1114   2HB   MET 142          1HB       MET 142 -13.133  -7.517  -4.640
 1115   1HG   MET 142          2HG       MET 142 -13.862  -9.296  -6.046
 1116   2HG   MET 142          1HG       MET 142 -14.646 -10.093  -4.690
 1117   1HE   MET 142          1HE       MET 142 -16.692  -8.956  -7.597
 1118   2HE   MET 142          2HE       MET 142 -17.761  -9.479  -6.295
 1119   3HE   MET 142          3HE       MET 142 -16.233 -10.317  -6.573
 1120    H    LEU 143           H        LEU 143 -11.767  -6.821  -3.678
 1121    HA   LEU 143           HA       LEU 143  -9.969  -6.862  -1.416
 1122   1HB   LEU 143          2HB       LEU 143 -11.109  -4.566  -3.012
 1123   2HB   LEU 143          1HB       LEU 143  -9.832  -4.438  -1.827
 1124    HG   LEU 143           HG       LEU 143  -8.937  -4.302  -4.041
 1125   1HD1  LEU 143          1HD1      LEU 143  -8.038  -6.014  -2.066
 1126   2HD1  LEU 143          2HD1      LEU 143  -7.109  -5.369  -3.419
 1127   3HD1  LEU 143          3HD1      LEU 143  -7.897  -6.940  -3.560
 1128   1HD2  LEU 143          1HD2      LEU 143  -9.486  -7.092  -4.780
 1129   2HD2  LEU 143          2HD2      LEU 143  -9.434  -5.638  -5.778
 1130   3HD2  LEU 143          3HD2      LEU 143 -10.874  -6.006  -4.830
 1131    H    ARG 144           H        ARG 144 -12.655  -4.773  -2.181
 1132    HA   ARG 144           HA       ARG 144 -13.225  -4.002   0.397
 1133   1HB   ARG 144          2HB       ARG 144 -13.840  -2.574  -1.361
 1134   2HB   ARG 144          1HB       ARG 144 -14.808  -3.822  -2.131
 1135   1HG   ARG 144          2HG       ARG 144 -16.361  -3.754  -0.219
 1136   2HG   ARG 144          1HG       ARG 144 -15.406  -2.465   0.498
 1137   1HD   ARG 144          2HD       ARG 144 -17.316  -1.516  -0.621
 1138   2HD   ARG 144          1HD       ARG 144 -15.853  -1.081  -1.502
 1139    HE   ARG 144           HE       ARG 144 -16.842  -3.397  -2.665
 1140   1HH1  ARG 144          1HH1      ARG 144 -17.866  -0.101  -2.190
 1141   2HH1  ARG 144          2HH1      ARG 144 -18.822  -0.053  -3.634
 1142   1HH2  ARG 144          1HH2      ARG 144 -18.100  -3.343  -4.570
 1143   2HH2  ARG 144          2HH2      ARG 144 -18.955  -1.895  -4.986
 1144    H    GLN 145           H        GLN 145 -14.862  -6.525  -1.514
 1145    HA   GLN 145           HA       GLN 145 -17.035  -6.881   0.124
 1146   1HB   GLN 145          2HB       GLN 145 -17.483  -8.660  -1.160
 1147   2HB   GLN 145          1HB       GLN 145 -16.036  -8.212  -2.048
 1148   1HG   GLN 145          2HG       GLN 145 -16.261 -10.272   0.126
 1149   2HG   GLN 145          1HG       GLN 145 -15.996 -10.555  -1.593
 1150   1HE2  GLN 145          1HE2      GLN 145 -14.274  -7.991  -1.350
 1151   2HE2  GLN 145          2HE2      GLN 145 -12.779  -8.574  -0.747
 1152    H    ILE 146           H        ILE 146 -13.683  -7.814   0.830
 1153    HA   ILE 146           HA       ILE 146 -14.513  -9.341   3.160
 1154    HB   ILE 146           HB       ILE 146 -11.801  -8.873   3.461
 1155   1HG1  ILE 146          2HG1      ILE 146 -12.415  -9.317   0.537
 1156   2HG1  ILE 146          1HG1      ILE 146 -11.638  -7.906   1.239
 1157   1HG2  ILE 146          1HG2      ILE 146 -13.263 -10.973   3.678
 1158   2HG2  ILE 146          2HG2      ILE 146 -11.585 -11.179   3.176
 1159   3HG2  ILE 146          3HG2      ILE 146 -12.877 -11.249   1.979
 1160   1HD1  ILE 146          1HD1      ILE 146 -10.430 -10.608   1.597
 1161   2HD1  ILE 146          2HD1      ILE 146  -9.659  -9.022   1.615
 1162   3HD1  ILE 146          3HD1      ILE 146 -10.205  -9.720   0.090
 1163    H    LEU 147           H        LEU 147 -13.054  -6.199   2.423
 1164    HA   LEU 147           HA       LEU 147 -12.612  -5.484   5.162
 1165   1HB   LEU 147          2HB       LEU 147 -12.016  -3.359   4.347
 1166   2HB   LEU 147          1HB       LEU 147 -11.522  -4.477   3.089
 1167    HG   LEU 147           HG       LEU 147 -13.811  -3.914   2.003
 1168   1HD1  LEU 147          1HD1      LEU 147 -14.000  -2.317   4.286
 1169   2HD1  LEU 147          2HD1      LEU 147 -15.071  -2.332   2.885
 1170   3HD1  LEU 147          3HD1      LEU 147 -13.704  -1.216   2.939
 1171   1HD2  LEU 147          1HD2      LEU 147 -12.732  -1.702   1.157
 1172   2HD2  LEU 147          2HD2      LEU 147 -11.998  -3.262   0.788
 1173   3HD2  LEU 147          3HD2      LEU 147 -11.347  -2.267   2.086
 1174    H    HIS 148           H        HIS 148 -15.238  -5.477   3.020
 1175    HA   HIS 148           HA       HIS 148 -16.860  -3.535   4.324
 1176   1HB   HIS 148          2HB       HIS 148 -17.121  -3.969   1.970
 1177   2HB   HIS 148          1HB       HIS 148 -17.432  -5.680   2.255
 1178    HD1  HIS 148           1HD      HIS 148 -19.640  -5.007   0.782
 1179    HD2  HIS 148           2HD      HIS 148 -19.464  -3.526   4.661
 1180    HE1  HIS 148           1HE      HIS 148 -21.991  -4.315   1.341
 1181    HE2  HIS 148           2HE      HIS 148 -21.850  -3.358   3.669
 1182    H    THR 149           H        THR 149 -16.557  -7.034   4.351
 1183    HA   THR 149           HA       THR 149 -18.705  -7.246   6.318
 1184    HB   THR 149           HB       THR 149 -18.632  -8.821   4.422
 1185    HG1  THR 149           1HG      THR 149 -19.262 -10.463   5.643
 1186   1HG2  THR 149          1HG2      THR 149 -16.121  -9.869   5.700
 1187   2HG2  THR 149          2HG2      THR 149 -16.230  -9.053   4.141
 1188   3HG2  THR 149          3HG2      THR 149 -17.004 -10.620   4.372
 1189    H    ARG 150           H        ARG 150 -15.264  -7.075   6.233
 1190    HA   ARG 150           HA       ARG 150 -15.188  -8.196   8.965
 1191   1HB   ARG 150          2HB       ARG 150 -12.926  -8.028   6.976
 1192   2HB   ARG 150          1HB       ARG 150 -12.833  -8.720   8.590
 1193   1HG   ARG 150          2HG       ARG 150 -14.609  -9.741   6.385
 1194   2HG   ARG 150          1HG       ARG 150 -13.036 -10.414   6.811
 1195   1HD   ARG 150          2HD       ARG 150 -15.409 -10.225   8.663
 1196   2HD   ARG 150          1HD       ARG 150 -14.914 -11.677   7.792
 1197    HE   ARG 150           HE       ARG 150 -12.731 -10.756   9.278
 1198   1HH1  ARG 150          1HH1      ARG 150 -15.896 -12.116   9.794
 1199   2HH1  ARG 150          2HH1      ARG 150 -15.465 -12.880  11.288
 1200   1HH2  ARG 150          1HH2      ARG 150 -12.154 -11.761  11.242
 1201   2HH2  ARG 150          2HH2      ARG 150 -13.339 -12.680  12.110
 1202    H    ALA 151           H        ALA 151 -14.247  -5.475   6.969
 1203    HA   ALA 151           HA       ALA 151 -13.053  -4.195   9.334
 1204   1HB   ALA 151          1HB       ALA 151 -11.806  -2.816   7.925
 1205   2HB   ALA 151          2HB       ALA 151 -12.865  -3.111   6.546
 1206   3HB   ALA 151          3HB       ALA 151 -11.788  -4.384   7.118
 1207    H    PHE 152           H        PHE 152 -14.016  -2.066   6.822
 1208    HA   PHE 152           HA       PHE 152 -16.136  -1.044   8.573
 1209   1HB   PHE 152          2HB       PHE 152 -14.221   0.446   8.026
 1210   2HB   PHE 152          1HB       PHE 152 -14.657   0.342   6.327
 1211    HD1  PHE 152           1HD      PHE 152 -15.404   2.380   5.643
 1212    HD2  PHE 152           2HD      PHE 152 -16.718   0.872   9.399
 1213    HE1  PHE 152           1HE      PHE 152 -16.900   4.321   5.896
 1214    HE2  PHE 152           2HE      PHE 152 -18.217   2.807   9.659
 1215    HZ   PHE 152           HZ       PHE 152 -18.308   4.534   7.905
 1216    H    ASP 153           H        ASP 153 -16.398   0.355   5.571
 1217    HA   ASP 153           HA       ASP 153 -18.046  -1.662   4.318
 1218   1HB   ASP 153          2HB       ASP 153 -19.243   0.960   5.258
 1219   2HB   ASP 153          1HB       ASP 153 -20.047  -0.206   4.212
 1220    H    LYS 154           H        LYS 154 -17.112   1.739   4.412
 1221    HA   LYS 154           HA       LYS 154 -15.884   1.709   1.880
 1222   1HB   LYS 154          2HB       LYS 154 -18.243   1.607   1.125
 1223   2HB   LYS 154          1HB       LYS 154 -18.566   3.107   1.981
 1224   1HG   LYS 154          2HG       LYS 154 -16.340   3.199   0.065
 1225   2HG   LYS 154          1HG       LYS 154 -17.941   2.957  -0.632
 1226   1HD   LYS 154          2HD       LYS 154 -17.485   5.110   1.396
 1227   2HD   LYS 154          1HD       LYS 154 -17.040   5.368  -0.292
 1228   1HE   LYS 154          2HE       LYS 154 -19.310   6.190   0.260
 1229   2HE   LYS 154          1HE       LYS 154 -19.300   4.965  -1.006
 1230   1HZ   LYS 154          1HZ       LYS 154 -21.074   4.597   0.600
 1231   2HZ   LYS 154          2HZ       LYS 154 -19.944   4.474   1.852
 1232   3HZ   LYS 154          3HZ       LYS 154 -19.967   3.318   0.618
 1233    H    LEU 155           H        LEU 155 -14.244   2.697   2.980
 1234    HA   LEU 155           HA       LEU 155 -14.476   4.878   4.713
 1235   1HB   LEU 155          2HB       LEU 155 -12.167   3.876   3.051
 1236   2HB   LEU 155          1HB       LEU 155 -12.009   5.203   4.184
 1237    HG   LEU 155           HG       LEU 155 -11.217   3.074   5.150
 1238   1HD1  LEU 155          1HD1      LEU 155 -13.670   3.556   6.710
 1239   2HD1  LEU 155          2HD1      LEU 155 -12.668   4.968   6.379
 1240   3HD1  LEU 155          3HD1      LEU 155 -11.980   3.573   7.210
 1241   1HD2  LEU 155          1HD2      LEU 155 -14.046   2.093   5.161
 1242   2HD2  LEU 155          2HD2      LEU 155 -12.556   1.203   5.472
 1243   3HD2  LEU 155          3HD2      LEU 155 -12.950   1.715   3.831
 1244    H    ASN 156           H        ASN 156 -13.033   7.001   4.079
 1245    HA   ASN 156           HA       ASN 156 -14.354   8.067   1.668
 1246   1HB   ASN 156          2HB       ASN 156 -13.549   9.479   4.217
 1247   2HB   ASN 156          1HB       ASN 156 -14.163  10.296   2.786
 1248   1HD2  ASN 156          1HD2      ASN 156 -15.751   7.474   2.760
 1249   2HD2  ASN 156          2HD2      ASN 156 -17.149   7.895   3.680
 1250    H    LYS 157           H        LYS 157 -13.206   9.291   0.217
 1251    HA   LYS 157           HA       LYS 157 -10.451   8.745  -0.030
 1252   1HB   LYS 157          2HB       LYS 157 -12.064  10.893  -1.417
 1253   2HB   LYS 157          1HB       LYS 157 -10.467  10.345  -1.889
 1254   1HG   LYS 157          2HG       LYS 157 -11.957   9.294  -3.363
 1255   2HG   LYS 157          1HG       LYS 157 -11.491   8.051  -2.204
 1256   1HD   LYS 157          2HD       LYS 157 -13.567   8.356  -0.992
 1257   2HD   LYS 157          1HD       LYS 157 -14.021   9.687  -2.058
 1258   1HE   LYS 157          2HE       LYS 157 -13.593   6.828  -2.917
 1259   2HE   LYS 157          1HE       LYS 157 -15.161   7.585  -2.642
 1260   1HZ   LYS 157          1HZ       LYS 157 -13.284   7.947  -4.851
 1261   2HZ   LYS 157          2HZ       LYS 157 -14.176   9.299  -4.365
 1262   3HZ   LYS 157          3HZ       LYS 157 -14.975   7.896  -4.866
 1263    H    TRP 158           H        TRP 158  -9.150   9.425   1.522
 1264    HA   TRP 158           HA       TRP 158  -8.283  10.764   3.186
 1265   1HB   TRP 158          2HB       TRP 158  -6.845  11.043   1.233
 1266   2HB   TRP 158          1HB       TRP 158  -7.853  12.362   0.651
 1267    HD1  TRP 158           HD       TRP 158  -6.315  11.826   4.183
 1268    HE1  TRP 158           1HE      TRP 158  -4.956  13.932   4.772
 1269    HE3  TRP 158           3HE      TRP 158  -6.914  14.435  -0.176
 1270    HZ2  TRP 158           2HZ      TRP 158  -4.233  16.371   3.555
 1271    HZ3  TRP 158           3HZ      TRP 158  -5.856  16.646  -0.382
 1272    HH2  TRP 158           HH       TRP 158  -4.545  17.594   1.447
  Start of MODEL   15
    1   1H    THR   1          1HT       THR   1   4.031 -10.087 -14.716
    2   2H    THR   1          2HT       THR   1   3.271  -8.577 -14.745
    3   3H    THR   1          3HT       THR   1   2.539  -9.906 -15.495
    4    HA   THR   1           HA       THR   1   1.590 -10.598 -13.634
    5    HB   THR   1           HB       THR   1   4.268 -10.014 -12.356
    6    HG1  THR   1           1HG      THR   1   4.759 -11.898 -13.082
    7   1HG2  THR   1          1HG2      THR   1   2.305 -10.019 -10.734
    8   2HG2  THR   1          2HG2      THR   1   3.630 -11.143 -10.414
    9   3HG2  THR   1          3HG2      THR   1   2.134 -11.730 -11.139
   10    H    VAL   2           H        VAL   2   0.082  -8.920 -13.624
   11    HA   VAL   2           HA       VAL   2   0.661  -6.355 -12.514
   12    HB   VAL   2           HB       VAL   2  -2.032  -7.670 -12.936
   13   1HG1  VAL   2          1HG1      VAL   2  -2.304  -5.852 -11.433
   14   2HG1  VAL   2          2HG1      VAL   2  -2.814  -5.277 -13.020
   15   3HG1  VAL   2          3HG1      VAL   2  -1.234  -4.820 -12.382
   16   1HG2  VAL   2          1HG2      VAL   2  -1.439  -5.618 -14.829
   17   2HG2  VAL   2          2HG2      VAL   2  -1.781  -7.325 -15.113
   18   3HG2  VAL   2          3HG2      VAL   2  -0.124  -6.793 -14.824
   19    H    ALA   3           H        ALA   3   1.365  -6.369 -10.450
   20    HA   ALA   3           HA       ALA   3  -0.198  -7.876  -8.469
   21   1HB   ALA   3          1HB       ALA   3   2.313  -8.264  -8.749
   22   2HB   ALA   3          2HB       ALA   3   1.707  -7.999  -7.114
   23   3HB   ALA   3          3HB       ALA   3   2.515  -6.690  -7.977
   24    H    TYR   4           H        TYR   4  -0.968  -6.883  -6.619
   25    HA   TYR   4           HA       TYR   4  -1.270  -3.993  -6.884
   26   1HB   TYR   4          2HB       TYR   4  -3.312  -5.238  -6.447
   27   2HB   TYR   4          1HB       TYR   4  -2.612  -5.906  -4.972
   28    HD1  TYR   4           1HD      TYR   4  -3.371  -4.948  -3.029
   29    HD2  TYR   4           2HD      TYR   4  -3.026  -2.509  -6.491
   30    HE1  TYR   4           1HE      TYR   4  -4.219  -3.028  -1.752
   31    HE2  TYR   4           2HE      TYR   4  -3.870  -0.577  -5.226
   32    HH   TYR   4           HH       TYR   4  -5.520  -0.539  -2.816
   33    H    ILE   5           H        ILE   5  -0.345  -2.541  -5.678
   34    HA   ILE   5           HA       ILE   5   1.084  -3.369  -3.239
   35    HB   ILE   5           HB       ILE   5   2.152  -1.056  -4.749
   36   1HG1  ILE   5          2HG1      ILE   5   2.406  -3.902  -5.732
   37   2HG1  ILE   5          1HG1      ILE   5   1.750  -2.534  -6.608
   38   1HG2  ILE   5          1HG2      ILE   5   3.348  -3.383  -3.254
   39   2HG2  ILE   5          2HG2      ILE   5   3.219  -1.709  -2.714
   40   3HG2  ILE   5          3HG2      ILE   5   4.298  -2.126  -4.044
   41   1HD1  ILE   5          1HD1      ILE   5   4.157  -1.551  -6.224
   42   2HD1  ILE   5          2HD1      ILE   5   3.819  -2.668  -7.547
   43   3HD1  ILE   5          3HD1      ILE   5   4.576  -3.257  -6.067
   44    H    ALA   6           H        ALA   6  -0.069  -2.491  -1.618
   45    HA   ALA   6           HA       ALA   6  -1.536  -0.035  -1.944
   46   1HB   ALA   6          1HB       ALA   6  -2.536  -1.725  -0.595
   47   2HB   ALA   6          2HB       ALA   6  -2.094  -0.393   0.472
   48   3HB   ALA   6          3HB       ALA   6  -1.100  -1.848   0.419
   49    H    ILE   7           H        ILE   7  -1.099   1.961  -1.017
   50    HA   ILE   7           HA       ILE   7   1.499   2.206   0.341
   51    HB   ILE   7           HB       ILE   7   1.745   2.903  -1.995
   52   1HG1  ILE   7          2HG1      ILE   7   1.820   5.287  -0.137
   53   2HG1  ILE   7          1HG1      ILE   7   3.035   4.011  -0.163
   54   1HG2  ILE   7          1HG2      ILE   7   0.094   3.940  -3.041
   55   2HG2  ILE   7          2HG2      ILE   7   0.391   5.368  -2.049
   56   3HG2  ILE   7          3HG2      ILE   7  -0.777   4.155  -1.522
   57   1HD1  ILE   7          1HD1      ILE   7   3.510   4.570  -2.522
   58   2HD1  ILE   7          2HD1      ILE   7   3.830   5.902  -1.408
   59   3HD1  ILE   7          3HD1      ILE   7   2.371   5.912  -2.399
   60    H    GLY   8           H        GLY   8   1.369   3.151   2.250
   61   1HA   GLY   8          2HA       GLY   8  -0.908   4.964   2.778
   62   2HA   GLY   8          1HA       GLY   8  -0.265   3.851   3.977
   63    H    SER   9           H        SER   9  -0.432   6.980   3.392
   64    HA   SER   9           HA       SER   9   2.024   7.536   4.828
   65   1HB   SER   9          2HB       SER   9   1.490   8.762   2.117
   66   2HB   SER   9          1HB       SER   9   2.780   9.250   3.217
   67    HG   SER   9           HG       SER   9   2.591   7.044   1.576
   68    H    ASN  10           H        ASN  10   2.277   9.977   5.086
   69    HA   ASN  10           HA       ASN  10   1.160  12.134   5.202
   70   1HB   ASN  10          2HB       ASN  10  -1.108  11.286   4.829
   71   2HB   ASN  10          1HB       ASN  10  -1.099  10.555   6.425
   72   1HD2  ASN  10          1HD2      ASN  10  -2.207  13.086   4.737
   73   2HD2  ASN  10          2HD2      ASN  10  -2.373  14.253   6.000
   74    H    LEU  11           H        LEU  11   1.820  13.378   6.819
   75    HA   LEU  11           HA       LEU  11   1.680  12.700   9.560
   76   1HB   LEU  11          2HB       LEU  11   4.017  12.365  10.073
   77   2HB   LEU  11          1HB       LEU  11   3.475  11.146   8.944
   78    HG   LEU  11           HG       LEU  11   5.637  11.723   8.248
   79   1HD1  LEU  11          1HD1      LEU  11   5.361  12.808   6.067
   80   2HD1  LEU  11          2HD1      LEU  11   3.727  13.285   6.528
   81   3HD1  LEU  11          3HD1      LEU  11   4.136  11.577   6.374
   82   1HD2  LEU  11          1HD2      LEU  11   5.360  14.023   9.582
   83   2HD2  LEU  11          2HD2      LEU  11   5.207  14.620   7.929
   84   3HD2  LEU  11          3HD2      LEU  11   6.648  13.724   8.413
   85    H    ALA  12           H        ALA  12   2.884  14.630   6.971
   86    HA   ALA  12           HA       ALA  12   2.313  17.080   8.247
   87   1HB   ALA  12          1HB       ALA  12   4.367  16.617   9.498
   88   2HB   ALA  12          2HB       ALA  12   4.574  18.004   8.429
   89   3HB   ALA  12          3HB       ALA  12   5.254  16.439   7.984
   90    H    SER  13           H        SER  13   4.127  15.332   5.827
   91    HA   SER  13           HA       SER  13   3.117  17.127   3.761
   92   1HB   SER  13          2HB       SER  13   5.325  17.215   2.652
   93   2HB   SER  13          1HB       SER  13   5.375  17.965   4.248
   94    HG   SER  13           HG       SER  13   5.941  15.306   4.342
   95    HA   PRO  14           HA       PRO  14   2.572  12.388   3.320
   96   1HB   PRO  14          2HB       PRO  14   0.244  13.180   1.822
   97   2HB   PRO  14          1HB       PRO  14   0.325  12.277   3.334
   98   1HG   PRO  14          2HG       PRO  14  -0.197  15.131   2.886
   99   2HG   PRO  14          1HG       PRO  14  -0.567  14.127   4.299
  100   1HD   PRO  14          2HD       PRO  14   1.359  16.025   4.319
  101   2HD   PRO  14          1HD       PRO  14   1.483  14.533   5.274
  102    H    LEU  15           H        LEU  15   1.900  14.967   0.933
  103    HA   LEU  15           HA       LEU  15   2.194  13.507  -1.378
  104   1HB   LEU  15          2HB       LEU  15   1.479  15.851  -1.321
  105   2HB   LEU  15          1HB       LEU  15   3.108  16.343  -0.899
  106    HG   LEU  15           HG       LEU  15   3.908  15.490  -3.083
  107   1HD1  LEU  15          1HD1      LEU  15   1.886  13.884  -3.253
  108   2HD1  LEU  15          2HD1      LEU  15   2.517  14.631  -4.720
  109   3HD1  LEU  15          3HD1      LEU  15   1.058  15.269  -3.963
  110   1HD2  LEU  15          1HD2      LEU  15   2.054  17.216  -4.270
  111   2HD2  LEU  15          2HD2      LEU  15   3.649  17.624  -3.639
  112   3HD2  LEU  15          3HD2      LEU  15   2.229  17.771  -2.605
  113    H    GLU  16           H        GLU  16   4.751  15.049   0.536
  114    HA   GLU  16           HA       GLU  16   6.898  14.473  -1.159
  115   1HB   GLU  16          2HB       GLU  16   6.899  14.708   1.854
  116   2HB   GLU  16          1HB       GLU  16   8.321  14.791   0.824
  117   1HG   GLU  16          2HG       GLU  16   6.011  16.718   0.755
  118   2HG   GLU  16          1HG       GLU  16   7.555  16.997   1.557
  119    H    GLN  17           H        GLN  17   5.899  12.688   1.777
  120    HA   GLN  17           HA       GLN  17   7.703  10.590   1.541
  121   1HB   GLN  17          2HB       GLN  17   4.898  10.377   2.650
  122   2HB   GLN  17          1HB       GLN  17   6.271   9.355   3.047
  123   1HG   GLN  17          2HG       GLN  17   6.043  12.294   3.648
  124   2HG   GLN  17          1HG       GLN  17   5.802  10.983   4.801
  125   1HE2  GLN  17          1HE2      GLN  17   8.098   9.638   3.161
  126   2HE2  GLN  17          2HE2      GLN  17   9.515  10.296   3.898
  127    H    VAL  18           H        VAL  18   4.297  10.606   0.493
  128    HA   VAL  18           HA       VAL  18   4.131   8.153  -0.709
  129    HB   VAL  18           HB       VAL  18   2.948  10.718  -1.790
  130   1HG1  VAL  18          1HG1      VAL  18   2.716   7.912  -2.599
  131   2HG1  VAL  18          2HG1      VAL  18   2.353   9.388  -3.496
  132   3HG1  VAL  18          3HG1      VAL  18   1.173   8.733  -2.360
  133   1HG2  VAL  18          1HG2      VAL  18   1.715  10.740   0.057
  134   2HG2  VAL  18          2HG2      VAL  18   2.423   9.219   0.602
  135   3HG2  VAL  18          3HG2      VAL  18   1.010   9.206  -0.451
  136    H    ASN  19           H        ASN  19   5.382  11.151  -2.156
  137    HA   ASN  19           HA       ASN  19   5.918  10.167  -4.710
  138   1HB   ASN  19          2HB       ASN  19   7.309  12.326  -3.117
  139   2HB   ASN  19          1HB       ASN  19   7.641  12.003  -4.815
  140   1HD2  ASN  19          1HD2      ASN  19   4.460  11.318  -4.367
  141   2HD2  ASN  19          2HD2      ASN  19   3.775  12.841  -4.798
  142    H    ALA  20           H        ALA  20   7.855  10.063  -1.756
  143    HA   ALA  20           HA       ALA  20  10.291   9.221  -2.682
  144   1HB   ALA  20          1HB       ALA  20   9.794   9.643  -0.320
  145   2HB   ALA  20          2HB       ALA  20  10.604   8.094  -0.552
  146   3HB   ALA  20          3HB       ALA  20   8.867   8.143  -0.253
  147    H    ALA  21           H        ALA  21   7.608   7.062  -1.750
  148    HA   ALA  21           HA       ALA  21   8.847   4.726  -2.780
  149   1HB   ALA  21          1HB       ALA  21   6.255   4.025  -2.825
  150   2HB   ALA  21          2HB       ALA  21   6.160   5.421  -1.752
  151   3HB   ALA  21          3HB       ALA  21   7.218   4.069  -1.348
  152    H    LEU  22           H        LEU  22   6.929   7.266  -4.182
  153    HA   LEU  22           HA       LEU  22   6.074   5.917  -6.517
  154   1HB   LEU  22          2HB       LEU  22   6.468   8.839  -5.903
  155   2HB   LEU  22          1HB       LEU  22   5.842   8.271  -7.436
  156    HG   LEU  22           HG       LEU  22   4.551   7.796  -4.749
  157   1HD1  LEU  22          1HD1      LEU  22   4.475  10.147  -5.484
  158   2HD1  LEU  22          2HD1      LEU  22   2.881   9.391  -5.470
  159   3HD1  LEU  22          3HD1      LEU  22   3.730   9.630  -6.997
  160   1HD2  LEU  22          1HD2      LEU  22   3.803   7.021  -7.554
  161   2HD2  LEU  22          2HD2      LEU  22   2.613   7.130  -6.256
  162   3HD2  LEU  22          3HD2      LEU  22   3.952   5.990  -6.131
  163    H    LYS  23           H        LYS  23   9.054   7.494  -5.626
  164    HA   LYS  23           HA       LYS  23  10.088   7.686  -8.284
  165   1HB   LYS  23          2HB       LYS  23  11.207   8.030  -5.539
  166   2HB   LYS  23          1HB       LYS  23  12.332   7.768  -6.864
  167   1HG   LYS  23          2HG       LYS  23  12.050  10.132  -6.435
  168   2HG   LYS  23          1HG       LYS  23  11.418   9.714  -8.027
  169   1HD   LYS  23          2HD       LYS  23   9.146   9.700  -7.126
  170   2HD   LYS  23          1HD       LYS  23   9.776  10.091  -5.524
  171   1HE   LYS  23          2HE       LYS  23   8.912  12.082  -6.630
  172   2HE   LYS  23          1HE       LYS  23  10.652  12.205  -6.379
  173   1HZ   LYS  23          1HZ       LYS  23   9.987  12.954  -8.589
  174   2HZ   LYS  23          2HZ       LYS  23   9.340  11.428  -8.929
  175   3HZ   LYS  23          3HZ       LYS  23  11.004  11.604  -8.681
  176    H    ALA  24           H        ALA  24  10.306   5.330  -5.668
  177    HA   ALA  24           HA       ALA  24  12.102   3.640  -7.189
  178   1HB   ALA  24          1HB       ALA  24  11.525   3.955  -4.481
  179   2HB   ALA  24          2HB       ALA  24  12.582   2.741  -5.205
  180   3HB   ALA  24          3HB       ALA  24  10.889   2.362  -4.894
  181    H    LEU  25           H        LEU  25   8.686   3.905  -6.587
  182    HA   LEU  25           HA       LEU  25   8.103   1.260  -7.622
  183   1HB   LEU  25          2HB       LEU  25   6.789   2.638  -5.807
  184   2HB   LEU  25          1HB       LEU  25   6.021   3.364  -7.209
  185    HG   LEU  25           HG       LEU  25   5.172   1.221  -7.924
  186   1HD1  LEU  25          1HD1      LEU  25   7.198  -0.021  -6.938
  187   2HD1  LEU  25          2HD1      LEU  25   5.625  -0.817  -6.895
  188   3HD1  LEU  25          3HD1      LEU  25   6.265  -0.048  -5.442
  189   1HD2  LEU  25          1HD2      LEU  25   4.269   2.651  -5.818
  190   2HD2  LEU  25          2HD2      LEU  25   4.474   1.066  -5.073
  191   3HD2  LEU  25          3HD2      LEU  25   3.440   1.247  -6.489
  192    H    GLY  26           H        GLY  26   8.339   4.518  -8.755
  193   1HA   GLY  26          2HA       GLY  26   6.771   4.183 -11.126
  194   2HA   GLY  26          1HA       GLY  26   7.924   5.480 -10.811
  195    H    ASP  27           H        ASP  27  10.113   3.809 -10.214
  196    HA   ASP  27           HA       ASP  27  10.604   2.434 -12.754
  197   1HB   ASP  27          2HB       ASP  27  13.025   3.352 -12.410
  198   2HB   ASP  27          1HB       ASP  27  11.812   4.349 -13.193
  199    H    ILE  28           H        ILE  28  10.606   0.406 -12.027
  200    HA   ILE  28           HA       ILE  28  12.392  -0.276  -9.782
  201    HB   ILE  28           HB       ILE  28  10.197  -2.036 -10.841
  202   1HG1  ILE  28          2HG1      ILE  28  10.018   0.098  -8.709
  203   2HG1  ILE  28          1HG1      ILE  28   9.073  -0.007 -10.189
  204   1HG2  ILE  28          1HG2      ILE  28  10.314  -3.009  -8.568
  205   2HG2  ILE  28          2HG2      ILE  28  11.667  -1.934  -8.217
  206   3HG2  ILE  28          3HG2      ILE  28  11.820  -3.161  -9.473
  207   1HD1  ILE  28          1HD1      ILE  28   8.850  -1.640  -7.695
  208   2HD1  ILE  28          2HD1      ILE  28   8.189  -2.211  -9.228
  209   3HD1  ILE  28          3HD1      ILE  28   7.611  -0.699  -8.527
  210    HA   PRO  29           HA       PRO  29  15.433  -2.457 -12.173
  211   1HB   PRO  29          2HB       PRO  29  14.099  -4.796 -10.837
  212   2HB   PRO  29          1HB       PRO  29  15.811  -4.528 -11.155
  213   1HG   PRO  29          2HG       PRO  29  14.675  -3.970  -8.761
  214   2HG   PRO  29          1HG       PRO  29  16.056  -3.066  -9.403
  215   1HD   PRO  29          2HD       PRO  29  13.345  -2.147  -8.959
  216   2HD   PRO  29          1HD       PRO  29  14.760  -1.211  -9.479
  217    H    GLU  30           H        GLU  30  12.218  -4.057 -12.031
  218    HA   GLU  30           HA       GLU  30  12.230  -4.208 -14.947
  219   1HB   GLU  30          2HB       GLU  30  11.835  -6.628 -13.185
  220   2HB   GLU  30          1HB       GLU  30  11.547  -6.588 -14.918
  221   1HG   GLU  30          2HG       GLU  30  13.916  -6.063 -15.284
  222   2HG   GLU  30          1HG       GLU  30  14.189  -6.156 -13.545
  223    H    SER  31           H        SER  31  10.601  -3.467 -12.173
  224    HA   SER  31           HA       SER  31   7.968  -4.205 -13.190
  225   1HB   SER  31          2HB       SER  31   8.783  -2.931 -10.573
  226   2HB   SER  31          1HB       SER  31   7.140  -3.393 -11.007
  227    HG   SER  31           HG       SER  31   8.713  -5.486 -11.424
  228    H    HIS  32           H        HIS  32   6.248  -2.359 -12.630
  229    HA   HIS  32           HA       HIS  32   6.982   0.332 -12.958
  230   1HB   HIS  32          2HB       HIS  32   7.660  -0.381 -15.205
  231   2HB   HIS  32          1HB       HIS  32   6.058  -1.048 -15.474
  232    HD1  HIS  32           1HD      HIS  32   7.425   2.367 -14.475
  233    HD2  HIS  32           2HD      HIS  32   4.557   0.645 -16.939
  234    HE1  HIS  32           1HE      HIS  32   6.315   4.289 -15.658
  235    HE2  HIS  32           2HE      HIS  32   4.634   3.217 -17.200
  236    H    ILE  33           H        ILE  33   5.298   1.578 -12.431
  237    HA   ILE  33           HA       ILE  33   2.883   0.397 -11.556
  238    HB   ILE  33           HB       ILE  33   3.725   3.255 -11.898
  239   1HG1  ILE  33          2HG1      ILE  33   3.458   1.478  -9.467
  240   2HG1  ILE  33          1HG1      ILE  33   4.970   1.900 -10.262
  241   1HG2  ILE  33          1HG2      ILE  33   1.325   3.239 -11.996
  242   2HG2  ILE  33          2HG2      ILE  33   1.807   3.791 -10.393
  243   3HG2  ILE  33          3HG2      ILE  33   1.230   2.140 -10.620
  244   1HD1  ILE  33          1HD1      ILE  33   3.835   4.337  -9.725
  245   2HD1  ILE  33          2HD1      ILE  33   5.105   3.539  -8.797
  246   3HD1  ILE  33          3HD1      ILE  33   3.417   3.361  -8.316
  247    H    LEU  34           H        LEU  34   0.736   0.704 -12.317
  248    HA   LEU  34           HA       LEU  34   0.389   1.927 -14.934
  249   1HB   LEU  34          2HB       LEU  34  -0.921  -0.098 -15.712
  250   2HB   LEU  34          1HB       LEU  34   0.825  -0.234 -15.693
  251    HG   LEU  34           HG       LEU  34   0.569  -1.421 -13.454
  252   1HD1  LEU  34          1HD1      LEU  34  -2.275  -1.120 -14.257
  253   2HD1  LEU  34          2HD1      LEU  34  -1.538  -1.066 -12.655
  254   3HD1  LEU  34          3HD1      LEU  34  -1.775  -2.614 -13.468
  255   1HD2  LEU  34          1HD2      LEU  34  -0.482  -3.488 -14.797
  256   2HD2  LEU  34          2HD2      LEU  34   1.171  -2.921 -15.032
  257   3HD2  LEU  34          3HD2      LEU  34  -0.100  -2.423 -16.148
  258    H    THR  35           H        THR  35  -0.997   0.723 -11.959
  259    HA   THR  35           HA       THR  35  -3.419   2.285 -12.571
  260    HB   THR  35           HB       THR  35  -4.643   0.605 -11.052
  261    HG1  THR  35           1HG      THR  35  -3.650  -1.523 -11.250
  262   1HG2  THR  35          1HG2      THR  35  -5.542   0.023 -12.982
  263   2HG2  THR  35          2HG2      THR  35  -4.234  -1.136 -13.206
  264   3HG2  THR  35          3HG2      THR  35  -4.085   0.496 -13.855
  265    H    VAL  36           H        VAL  36  -3.773   3.865 -11.212
  266    HA   VAL  36           HA       VAL  36  -3.222   3.605  -8.377
  267    HB   VAL  36           HB       VAL  36  -1.853   5.742 -10.029
  268   1HG1  VAL  36          1HG1      VAL  36  -2.435   6.916  -8.136
  269   2HG1  VAL  36          2HG1      VAL  36  -0.873   6.250  -7.660
  270   3HG1  VAL  36          3HG1      VAL  36  -2.363   5.492  -7.099
  271   1HG2  VAL  36          1HG2      VAL  36   0.208   4.797  -9.340
  272   2HG2  VAL  36          2HG2      VAL  36  -0.782   3.459  -9.926
  273   3HG2  VAL  36          3HG2      VAL  36  -0.590   3.720  -8.192
  274    H    SER  37           H        SER  37  -5.061   4.313  -7.468
  275    HA   SER  37           HA       SER  37  -6.050   6.923  -7.894
  276   1HB   SER  37          2HB       SER  37  -6.866   5.976 -10.007
  277   2HB   SER  37          1HB       SER  37  -7.699   4.699  -9.122
  278    HG   SER  37           HG       SER  37  -8.207   7.468  -8.782
  279    H    SER  38           H        SER  38  -8.373   7.087  -6.924
  280    HA   SER  38           HA       SER  38  -9.702   6.925  -5.100
  281   1HB   SER  38          2HB       SER  38  -8.753   4.045  -5.059
  282   2HB   SER  38          1HB       SER  38 -10.118   4.690  -4.155
  283    HG   SER  38           HG       SER  38 -10.994   5.315  -6.247
  284    H    PHE  39           H        PHE  39  -8.036   8.394  -4.193
  285    HA   PHE  39           HA       PHE  39  -6.242   7.259  -2.211
  286   1HB   PHE  39          2HB       PHE  39  -6.854  10.135  -2.946
  287   2HB   PHE  39          1HB       PHE  39  -5.654   9.647  -1.756
  288    HD1  PHE  39           1HD      PHE  39  -6.479   8.474  -5.212
  289    HD2  PHE  39           2HD      PHE  39  -3.539  10.017  -2.548
  290    HE1  PHE  39           1HE      PHE  39  -4.787   8.311  -6.990
  291    HE2  PHE  39           2HE      PHE  39  -1.843   9.856  -4.323
  292    HZ   PHE  39           HZ       PHE  39  -2.466   9.004  -6.547
  293    H    TYR  40           H        TYR  40  -7.165   6.552  -0.373
  294    HA   TYR  40           HA       TYR  40  -9.532   7.912   0.620
  295   1HB   TYR  40          2HB       TYR  40  -8.240   5.293   1.320
  296   2HB   TYR  40          1HB       TYR  40  -9.531   5.987   2.301
  297    HD1  TYR  40           1HD      TYR  40  -8.807   5.293  -1.308
  298    HD2  TYR  40           2HD      TYR  40 -11.675   5.317   1.830
  299    HE1  TYR  40           1HE      TYR  40 -10.495   4.387  -2.848
  300    HE2  TYR  40           2HE      TYR  40 -13.368   4.405   0.301
  301    HH   TYR  40           HH       TYR  40 -12.573   3.164  -2.788
  302    H    ARG  41           H        ARG  41  -9.772   8.030   3.017
  303    HA   ARG  41           HA       ARG  41  -7.505   9.537   4.099
  304   1HB   ARG  41          2HB       ARG  41  -9.615  10.738   3.882
  305   2HB   ARG  41          1HB       ARG  41 -10.440   9.506   4.822
  306   1HG   ARG  41          2HG       ARG  41  -9.040  10.109   6.770
  307   2HG   ARG  41          1HG       ARG  41  -8.327  11.404   5.808
  308   1HD   ARG  41          2HD       ARG  41 -10.122  12.235   7.251
  309   2HD   ARG  41          1HD       ARG  41 -10.504  12.445   5.542
  310    HE   ARG  41           HE       ARG  41 -12.351  11.176   5.905
  311   1HH1  ARG  41          1HH1      ARG  41  -9.955  10.270   8.272
  312   2HH1  ARG  41          2HH1      ARG  41 -10.981   9.113   9.052
  313   1HH2  ARG  41          1HH2      ARG  41 -13.703   9.656   6.931
  314   2HH2  ARG  41          2HH2      ARG  41 -13.108   8.763   8.290
  315    H    THR  42           H        THR  42  -6.228   8.392   5.422
  316    HA   THR  42           HA       THR  42  -7.413   6.293   7.097
  317    HB   THR  42           HB       THR  42  -4.516   6.902   6.483
  318    HG1  THR  42           1HG      THR  42  -6.112   4.707   5.673
  319   1HG2  THR  42          1HG2      THR  42  -3.826   5.230   7.821
  320   2HG2  THR  42          2HG2      THR  42  -5.301   4.291   7.597
  321   3HG2  THR  42          3HG2      THR  42  -5.285   5.654   8.717
  322    HA   PRO  43           HA       PRO  43  -7.008   9.447  10.348
  323   1HB   PRO  43          2HB       PRO  43  -8.816   8.348  12.028
  324   2HB   PRO  43          1HB       PRO  43  -9.297   9.320  10.634
  325   1HG   PRO  43          2HG       PRO  43  -9.246   6.348  10.946
  326   2HG   PRO  43          1HG       PRO  43 -10.461   7.372  10.162
  327   1HD   PRO  43          2HD       PRO  43  -8.542   5.977   8.798
  328   2HD   PRO  43          1HD       PRO  43  -9.287   7.473   8.198
  329    HA   PRO  44           HA       PRO  44  -4.264   7.050  12.889
  330   1HB   PRO  44          2HB       PRO  44  -3.695   8.812  14.810
  331   2HB   PRO  44          1HB       PRO  44  -3.208   9.106  13.135
  332   1HG   PRO  44          2HG       PRO  44  -5.568  10.192  14.633
  333   2HG   PRO  44          1HG       PRO  44  -4.421  11.049  13.585
  334   1HD   PRO  44          2HD       PRO  44  -6.879  10.192  12.743
  335   2HD   PRO  44          1HD       PRO  44  -5.476  10.373  11.670
  336    H    LEU  45           H        LEU  45  -6.545   5.830  13.388
  337    HA   LEU  45           HA       LEU  45  -7.462   6.304  16.086
  338   1HB   LEU  45          2HB       LEU  45  -8.928   4.313  15.708
  339   2HB   LEU  45          1HB       LEU  45  -9.186   5.651  14.614
  340    HG   LEU  45           HG       LEU  45  -9.335   3.360  13.597
  341   1HD1  LEU  45          1HD1      LEU  45  -7.440   4.148  11.794
  342   2HD1  LEU  45          2HD1      LEU  45  -7.852   5.655  12.610
  343   3HD1  LEU  45          3HD1      LEU  45  -9.116   4.695  11.840
  344   1HD2  LEU  45          1HD2      LEU  45  -7.150   2.685  14.935
  345   2HD2  LEU  45          2HD2      LEU  45  -6.378   3.230  13.447
  346   3HD2  LEU  45          3HD2      LEU  45  -7.579   1.938  13.396
  347    H    GLY  46           H        GLY  46  -4.669   5.357  15.416
  348   1HA   GLY  46          2HA       GLY  46  -4.215   3.822  17.703
  349   2HA   GLY  46          1HA       GLY  46  -4.357   2.711  16.350
  350    HA   PRO  47           HA       PRO  47  -0.378   3.476  14.500
  351   1HB   PRO  47          2HB       PRO  47  -1.295   5.933  13.056
  352   2HB   PRO  47          1HB       PRO  47  -0.316   4.584  12.467
  353   1HG   PRO  47          2HG       PRO  47  -2.895   4.745  11.848
  354   2HG   PRO  47          1HG       PRO  47  -2.152   3.181  12.233
  355   1HD   PRO  47          2HD       PRO  47  -3.994   4.854  13.858
  356   2HD   PRO  47          1HD       PRO  47  -3.798   3.091  13.825
  357    H    GLN  48           H        GLN  48  -1.577   6.854  14.768
  358    HA   GLN  48           HA       GLN  48   0.540   7.314  16.760
  359   1HB   GLN  48          2HB       GLN  48  -0.132   9.185  14.488
  360   2HB   GLN  48          1HB       GLN  48   1.050   9.485  15.754
  361   1HG   GLN  48          2HG       GLN  48   2.366   8.800  13.997
  362   2HG   GLN  48          1HG       GLN  48   2.157   7.309  14.912
  363   1HE2  GLN  48          1HE2      GLN  48  -0.664   8.260  13.324
  364   2HE2  GLN  48          2HE2      GLN  48  -0.540   7.218  11.953
  365    H    ASP  49           H        ASP  49  -0.460  10.263  16.314
  366    HA   ASP  49           HA       ASP  49  -2.926  10.074  17.898
  367   1HB   ASP  49          2HB       ASP  49  -0.609  11.953  18.448
  368   2HB   ASP  49          1HB       ASP  49  -2.154  11.960  19.293
  369    H    GLN  50           H        GLN  50  -0.758  11.934  15.891
  370    HA   GLN  50           HA       GLN  50  -2.834  13.827  15.153
  371   1HB   GLN  50          2HB       GLN  50  -0.995  14.738  13.647
  372   2HB   GLN  50          1HB       GLN  50  -0.704  14.851  15.376
  373   1HG   GLN  50          2HG       GLN  50   0.355  12.563  13.757
  374   2HG   GLN  50          1HG       GLN  50   1.219  14.097  13.874
  375   1HE2  GLN  50          1HE2      GLN  50   1.091  11.098  15.088
  376   2HE2  GLN  50          2HE2      GLN  50   1.718  11.374  16.675
  377    HA   PRO  51           HA       PRO  51  -4.399  11.734  11.649
  378   1HB   PRO  51          2HB       PRO  51  -3.624  14.122  10.032
  379   2HB   PRO  51          1HB       PRO  51  -5.172  13.273  10.110
  380   1HG   PRO  51          2HG       PRO  51  -4.838  15.594  11.368
  381   2HG   PRO  51          1HG       PRO  51  -5.782  14.286  12.106
  382   1HD   PRO  51          2HD       PRO  51  -3.038  15.244  12.757
  383   2HD   PRO  51          1HD       PRO  51  -4.281  14.562  13.824
  384    H    ASP  52           H        ASP  52  -3.830  10.651   9.745
  385    HA   ASP  52           HA       ASP  52  -1.156  10.968   8.658
  386   1HB   ASP  52          2HB       ASP  52  -0.560   8.602   9.013
  387   2HB   ASP  52          1HB       ASP  52  -0.774   9.448  10.542
  388    H    TYR  53           H        TYR  53  -4.221  10.811   8.140
  389    HA   TYR  53           HA       TYR  53  -4.724   8.763   6.328
  390   1HB   TYR  53          2HB       TYR  53  -6.578  10.418   5.585
  391   2HB   TYR  53          1HB       TYR  53  -6.603   9.742   7.205
  392    HD1  TYR  53           1HD      TYR  53  -7.719  11.327   8.471
  393    HD2  TYR  53           2HD      TYR  53  -4.582  12.616   5.903
  394    HE1  TYR  53           1HE      TYR  53  -7.887  13.590   9.409
  395    HE2  TYR  53           2HE      TYR  53  -4.743  14.882   6.836
  396    HH   TYR  53           HH       TYR  53  -6.957  15.619   9.497
  397    H    LEU  54           H        LEU  54  -3.350   8.483   4.595
  398    HA   LEU  54           HA       LEU  54  -3.922  10.012   2.309
  399   1HB   LEU  54          2HB       LEU  54  -2.158  11.444   3.560
  400   2HB   LEU  54          1HB       LEU  54  -1.018  10.227   3.020
  401    HG   LEU  54           HG       LEU  54  -1.091  12.222   1.550
  402   1HD1  LEU  54          1HD1      LEU  54  -0.800   9.661   0.817
  403   2HD1  LEU  54          2HD1      LEU  54  -0.676  11.013  -0.309
  404   3HD1  LEU  54          3HD1      LEU  54  -2.181  10.103  -0.187
  405   1HD2  LEU  54          1HD2      LEU  54  -3.946  11.362   1.234
  406   2HD2  LEU  54          2HD2      LEU  54  -3.120  12.309  -0.005
  407   3HD2  LEU  54          3HD2      LEU  54  -3.306  12.961   1.623
  408    H    ASN  55           H        ASN  55  -4.512   7.813   1.939
  409    HA   ASN  55           HA       ASN  55  -2.241   6.135   1.094
  410   1HB   ASN  55          2HB       ASN  55  -3.820   4.194   1.518
  411   2HB   ASN  55          1HB       ASN  55  -3.282   5.065   2.954
  412   1HD2  ASN  55          1HD2      ASN  55  -5.877   3.750   1.464
  413   2HD2  ASN  55          2HD2      ASN  55  -7.141   4.639   2.236
  414    H    ALA  56           H        ALA  56  -2.767   4.614  -0.683
  415    HA   ALA  56           HA       ALA  56  -5.040   5.110  -2.342
  416   1HB   ALA  56          1HB       ALA  56  -2.951   5.731  -4.131
  417   2HB   ALA  56          2HB       ALA  56  -2.751   6.771  -2.720
  418   3HB   ALA  56          3HB       ALA  56  -4.278   6.766  -3.601
  419    H    ALA  57           H        ALA  57  -5.192   3.699  -4.124
  420    HA   ALA  57           HA       ALA  57  -3.756   1.223  -3.761
  421   1HB   ALA  57          1HB       ALA  57  -5.702   0.422  -4.465
  422   2HB   ALA  57          2HB       ALA  57  -5.343   1.055  -6.070
  423   3HB   ALA  57          3HB       ALA  57  -6.248   2.036  -4.919
  424    H    VAL  58           H        VAL  58  -1.863   0.840  -4.690
  425    HA   VAL  58           HA       VAL  58  -1.364   1.983  -7.358
  426    HB   VAL  58           HB       VAL  58   0.738   1.466  -5.250
  427   1HG1  VAL  58          1HG1      VAL  58   0.793   2.229  -8.094
  428   2HG1  VAL  58          2HG1      VAL  58   2.006   1.408  -7.113
  429   3HG1  VAL  58          3HG1      VAL  58   1.847   3.163  -7.033
  430   1HG2  VAL  58          1HG2      VAL  58   0.731   3.694  -4.669
  431   2HG2  VAL  58          2HG2      VAL  58  -0.990   3.406  -4.931
  432   3HG2  VAL  58          3HG2      VAL  58  -0.028   4.198  -6.180
  433    H    ALA  59           H        ALA  59  -2.247   0.014  -8.194
  434    HA   ALA  59           HA       ALA  59  -0.876  -2.474  -7.694
  435   1HB   ALA  59          1HB       ALA  59  -2.545  -2.727  -9.955
  436   2HB   ALA  59          2HB       ALA  59  -3.398  -1.692  -8.809
  437   3HB   ALA  59          3HB       ALA  59  -2.852  -3.294  -8.313
  438    H    LEU  60           H        LEU  60   1.144  -2.411  -8.427
  439    HA   LEU  60           HA       LEU  60   1.658  -1.444 -11.142
  440   1HB   LEU  60          2HB       LEU  60   3.092  -0.356  -9.689
  441   2HB   LEU  60          1HB       LEU  60   3.293  -1.762  -8.667
  442    HG   LEU  60           HG       LEU  60   4.449  -1.750 -11.433
  443   1HD1  LEU  60          1HD1      LEU  60   5.331   0.266 -10.565
  444   2HD1  LEU  60          2HD1      LEU  60   6.572  -0.960 -10.313
  445   3HD1  LEU  60          3HD1      LEU  60   5.561  -0.440  -8.966
  446   1HD2  LEU  60          1HD2      LEU  60   4.437  -3.505  -9.191
  447   2HD2  LEU  60          2HD2      LEU  60   6.085  -2.933  -9.453
  448   3HD2  LEU  60          3HD2      LEU  60   5.208  -3.725 -10.762
  449    H    GLU  61           H        GLU  61   2.648  -2.701 -12.699
  450    HA   GLU  61           HA       GLU  61   2.296  -5.539 -12.406
  451   1HB   GLU  61          2HB       GLU  61   3.173  -5.648 -14.736
  452   2HB   GLU  61          1HB       GLU  61   1.803  -4.562 -14.560
  453   1HG   GLU  61          2HG       GLU  61   3.311  -2.648 -14.549
  454   2HG   GLU  61          1HG       GLU  61   4.693  -3.731 -14.701
  455    H    THR  62           H        THR  62   3.687  -6.468 -11.043
  456    HA   THR  62           HA       THR  62   6.443  -5.665 -10.936
  457    HB   THR  62           HB       THR  62   6.620  -7.207  -9.081
  458    HG1  THR  62           1HG      THR  62   4.910  -8.635 -10.283
  459   1HG2  THR  62          1HG2      THR  62   4.268  -5.405  -9.131
  460   2HG2  THR  62          2HG2      THR  62   5.710  -5.364  -8.116
  461   3HG2  THR  62          3HG2      THR  62   4.431  -6.531  -7.783
  462    H    SER  63           H        SER  63   8.176  -7.024 -11.170
  463    HA   SER  63           HA       SER  63   7.824  -9.515 -12.681
  464   1HB   SER  63          2HB       SER  63   8.319  -7.766 -14.365
  465   2HB   SER  63          1HB       SER  63   9.746  -7.285 -13.444
  466    HG   SER  63           HG       SER  63  10.130  -8.755 -15.244
  467    H    LEU  64           H        LEU  64   8.646  -8.020 -10.113
  468    HA   LEU  64           HA       LEU  64  10.791  -9.824  -9.331
  469   1HB   LEU  64          2HB       LEU  64  11.770  -7.795  -8.096
  470   2HB   LEU  64          1HB       LEU  64  12.060  -7.922  -9.820
  471    HG   LEU  64           HG       LEU  64   9.680  -6.452  -9.587
  472   1HD1  LEU  64          1HD1      LEU  64  10.702  -6.271  -7.138
  473   2HD1  LEU  64          2HD1      LEU  64   9.894  -4.919  -7.930
  474   3HD1  LEU  64          3HD1      LEU  64  11.654  -5.006  -7.914
  475   1HD2  LEU  64          1HD2      LEU  64  11.801  -4.662  -9.983
  476   2HD2  LEU  64          2HD2      LEU  64  10.835  -5.475 -11.214
  477   3HD2  LEU  64          3HD2      LEU  64  12.341  -6.201 -10.654
  478    H    ALA  65           H        ALA  65   9.452 -10.983  -8.051
  479    HA   ALA  65           HA       ALA  65   7.296 -10.489  -6.622
  480   1HB   ALA  65          1HB       ALA  65   8.180 -12.637  -6.424
  481   2HB   ALA  65          2HB       ALA  65   8.259 -11.992  -4.786
  482   3HB   ALA  65          3HB       ALA  65   9.713 -12.050  -5.781
  483    HA   PRO  66           HA       PRO  66   7.472  -7.038  -3.876
  484   1HB   PRO  66          2HB       PRO  66   6.416  -9.131  -1.997
  485   2HB   PRO  66          1HB       PRO  66   5.920  -7.441  -2.180
  486   1HG   PRO  66          2HG       PRO  66   4.502  -9.342  -3.326
  487   2HG   PRO  66          1HG       PRO  66   4.850  -7.834  -4.188
  488   1HD   PRO  66          2HD       PRO  66   5.978 -10.555  -4.604
  489   2HD   PRO  66          1HD       PRO  66   5.741  -9.245  -5.777
  490    H    GLU  67           H        GLU  67   9.041 -10.064  -3.165
  491    HA   GLU  67           HA       GLU  67  10.262  -9.381  -0.741
  492   1HB   GLU  67          2HB       GLU  67  11.490 -11.004  -2.984
  493   2HB   GLU  67          1HB       GLU  67  11.879 -11.105  -1.269
  494   1HG   GLU  67          2HG       GLU  67   9.720 -12.016  -0.772
  495   2HG   GLU  67          1HG       GLU  67   9.184 -11.772  -2.437
  496    H    GLU  68           H        GLU  68  11.338  -9.089  -4.076
  497    HA   GLU  68           HA       GLU  68  13.604  -7.445  -3.533
  498   1HB   GLU  68          2HB       GLU  68  12.102  -7.961  -6.107
  499   2HB   GLU  68          1HB       GLU  68  13.690  -7.236  -5.981
  500   1HG   GLU  68          2HG       GLU  68  12.956 -10.037  -5.190
  501   2HG   GLU  68          1HG       GLU  68  13.842  -9.560  -6.637
  502    H    LEU  69           H        LEU  69  10.445  -6.865  -5.065
  503    HA   LEU  69           HA       LEU  69  10.591  -4.165  -5.537
  504   1HB   LEU  69          2HB       LEU  69   8.693  -5.015  -6.413
  505   2HB   LEU  69          1HB       LEU  69   8.425  -6.116  -5.089
  506    HG   LEU  69           HG       LEU  69   7.724  -3.984  -3.757
  507   1HD1  LEU  69          1HD1      LEU  69   7.021  -2.114  -4.975
  508   2HD1  LEU  69          2HD1      LEU  69   7.182  -2.947  -6.519
  509   3HD1  LEU  69          3HD1      LEU  69   8.622  -2.500  -5.606
  510   1HD2  LEU  69          1HD2      LEU  69   6.232  -5.849  -4.591
  511   2HD2  LEU  69          2HD2      LEU  69   5.903  -4.848  -6.005
  512   3HD2  LEU  69          3HD2      LEU  69   5.451  -4.278  -4.397
  513    H    LEU  70           H        LEU  70   9.236  -5.674  -2.622
  514    HA   LEU  70           HA       LEU  70   8.597  -3.496  -1.118
  515   1HB   LEU  70          2HB       LEU  70   8.399  -5.975  -0.539
  516   2HB   LEU  70          1HB       LEU  70  10.049  -5.871   0.035
  517    HG   LEU  70           HG       LEU  70   9.180  -3.990   1.571
  518   1HD1  LEU  70          1HD1      LEU  70   6.661  -5.151   0.473
  519   2HD1  LEU  70          2HD1      LEU  70   7.068  -3.469   0.823
  520   3HD1  LEU  70          3HD1      LEU  70   6.706  -4.583   2.142
  521   1HD2  LEU  70          1HD2      LEU  70   8.714  -6.923   1.817
  522   2HD2  LEU  70          2HD2      LEU  70   8.115  -5.849   3.081
  523   3HD2  LEU  70          3HD2      LEU  70   9.836  -5.883   2.695
  524    H    ASN  71           H        ASN  71  11.786  -5.089  -1.247
  525    HA   ASN  71           HA       ASN  71  13.151  -3.456   0.507
  526   1HB   ASN  71          2HB       ASN  71  14.124  -4.849  -1.982
  527   2HB   ASN  71          1HB       ASN  71  15.205  -4.010  -0.873
  528   1HD2  ASN  71          1HD2      ASN  71  14.370  -6.938  -1.692
  529   2HD2  ASN  71          2HD2      ASN  71  14.412  -7.754  -0.171
  530    H    HIS  72           H        HIS  72  12.602  -2.846  -2.975
  531    HA   HIS  72           HA       HIS  72  14.201  -0.508  -3.029
  532   1HB   HIS  72          2HB       HIS  72  12.074  -1.549  -4.891
  533   2HB   HIS  72          1HB       HIS  72  12.962  -0.056  -5.201
  534    HD1  HIS  72           1HD      HIS  72  15.721  -0.477  -5.149
  535    HD2  HIS  72           2HD      HIS  72  13.263  -3.719  -5.966
  536    HE1  HIS  72           1HE      HIS  72  17.203  -2.180  -6.257
  537    HE2  HIS  72           2HE      HIS  72  15.685  -4.123  -6.775
  538    H    THR  73           H        THR  73  10.648  -0.901  -2.917
  539    HA   THR  73           HA       THR  73  10.013   1.808  -2.870
  540    HB   THR  73           HB       THR  73   7.926   1.089  -1.685
  541    HG1  THR  73           1HG      THR  73   7.868  -1.369  -1.624
  542   1HG2  THR  73          1HG2      THR  73   8.761   0.339  -4.257
  543   2HG2  THR  73          2HG2      THR  73   7.114   0.509  -3.652
  544   3HG2  THR  73          3HG2      THR  73   7.929  -1.054  -3.565
  545    H    GLN  74           H        GLN  74  10.683  -0.379  -0.178
  546    HA   GLN  74           HA       GLN  74  10.522   1.634   1.830
  547   1HB   GLN  74          2HB       GLN  74  11.190  -0.063   3.363
  548   2HB   GLN  74          1HB       GLN  74  10.121  -0.829   2.197
  549   1HG   GLN  74          2HG       GLN  74  12.042  -1.750   1.020
  550   2HG   GLN  74          1HG       GLN  74  13.126  -0.961   2.165
  551   1HE2  GLN  74          1HE2      GLN  74  13.892  -2.271   3.646
  552   2HE2  GLN  74          2HE2      GLN  74  13.086  -3.642   4.319
  553    H    ARG  75           H        ARG  75  12.848   0.753  -0.455
  554    HA   ARG  75           HA       ARG  75  15.230   1.286   1.002
  555   1HB   ARG  75          2HB       ARG  75  15.087   0.060  -1.205
  556   2HB   ARG  75          1HB       ARG  75  14.812   1.614  -1.976
  557   1HG   ARG  75          2HG       ARG  75  16.996   2.384  -1.125
  558   2HG   ARG  75          1HG       ARG  75  17.270   0.772  -0.458
  559   1HD   ARG  75          2HD       ARG  75  16.979  -0.148  -2.767
  560   2HD   ARG  75          1HD       ARG  75  16.922   1.514  -3.358
  561    HE   ARG  75           HE       ARG  75  19.249   1.180  -1.829
  562   1HH1  ARG  75          1HH1      ARG  75  17.875   0.160  -4.864
  563   2HH1  ARG  75          2HH1      ARG  75  19.411  -0.053  -5.636
  564   1HH2  ARG  75          1HH2      ARG  75  21.275   0.899  -2.835
  565   2HH2  ARG  75          2HH2      ARG  75  21.345   0.367  -4.480
  566    H    ILE  76           H        ILE  76  13.153   3.206  -1.101
  567    HA   ILE  76           HA       ILE  76  14.671   5.582  -0.935
  568    HB   ILE  76           HB       ILE  76  11.732   5.245  -1.544
  569   1HG1  ILE  76          2HG1      ILE  76  13.194   4.009  -3.086
  570   2HG1  ILE  76          1HG1      ILE  76  12.432   5.377  -3.891
  571   1HG2  ILE  76          1HG2      ILE  76  13.370   7.590  -1.201
  572   2HG2  ILE  76          2HG2      ILE  76  11.634   7.464  -1.471
  573   3HG2  ILE  76          3HG2      ILE  76  12.738   7.500  -2.844
  574   1HD1  ILE  76          1HD1      ILE  76  15.273   5.193  -2.925
  575   2HD1  ILE  76          2HD1      ILE  76  14.533   6.660  -3.565
  576   3HD1  ILE  76          3HD1      ILE  76  14.709   5.238  -4.595
  577    H    GLU  77           H        GLU  77  11.691   4.533   0.776
  578    HA   GLU  77           HA       GLU  77  11.573   6.826   2.418
  579   1HB   GLU  77          2HB       GLU  77  10.070   5.529   3.873
  580   2HB   GLU  77          1HB       GLU  77   9.623   5.400   2.183
  581   1HG   GLU  77          2HG       GLU  77   9.353   3.262   3.009
  582   2HG   GLU  77          1HG       GLU  77  10.904   3.206   2.186
  583    H    LEU  78           H        LEU  78  13.561   4.019   2.512
  584    HA   LEU  78           HA       LEU  78  14.269   4.050   5.251
  585   1HB   LEU  78          2HB       LEU  78  14.741   2.215   3.557
  586   2HB   LEU  78          1HB       LEU  78  16.039   3.219   2.950
  587    HG   LEU  78           HG       LEU  78  15.924   2.292   5.816
  588   1HD1  LEU  78          1HD1      LEU  78  17.853   0.933   4.142
  589   2HD1  LEU  78          2HD1      LEU  78  16.198   0.632   3.612
  590   3HD1  LEU  78          3HD1      LEU  78  16.673   0.269   5.271
  591   1HD2  LEU  78          1HD2      LEU  78  17.889   3.713   4.097
  592   2HD2  LEU  78          2HD2      LEU  78  18.504   2.584   5.302
  593   3HD2  LEU  78          3HD2      LEU  78  17.501   3.945   5.802
  594    H    GLN  79           H        GLN  79  15.359   5.759   2.410
  595    HA   GLN  79           HA       GLN  79  17.216   7.342   4.053
  596   1HB   GLN  79          2HB       GLN  79  17.097   7.077   1.042
  597   2HB   GLN  79          1HB       GLN  79  18.293   7.986   1.954
  598   1HG   GLN  79          2HG       GLN  79  19.045   5.888   3.004
  599   2HG   GLN  79          1HG       GLN  79  17.894   5.005   2.000
  600   1HE2  GLN  79          1HE2      GLN  79  18.801   4.078   0.323
  601   2HE2  GLN  79          2HE2      GLN  79  20.148   4.678  -0.577
  602    H    GLN  80           H        GLN  80  14.141   7.415   3.182
  603    HA   GLN  80           HA       GLN  80  14.119  10.309   2.636
  604   1HB   GLN  80          2HB       GLN  80  13.154   8.950   0.796
  605   2HB   GLN  80          1HB       GLN  80  11.983   8.277   1.922
  606   1HG   GLN  80          2HG       GLN  80  10.995  10.044   0.593
  607   2HG   GLN  80          1HG       GLN  80  11.050  10.497   2.297
  608   1HE2  GLN  80          1HE2      GLN  80  11.588  12.524   2.610
  609   2HE2  GLN  80          2HE2      GLN  80  12.657  13.465   1.631
  610    H    GLY  81           H        GLY  81  11.852   7.871   3.972
  611   1HA   GLY  81          2HA       GLY  81  11.075   9.860   5.989
  612   2HA   GLY  81          1HA       GLY  81  10.134   8.453   5.523
  613    H    ARG  82           H        ARG  82  13.578   8.418   6.327
  614    HA   ARG  82           HA       ARG  82  12.954   7.211   8.916
  615   1HB   ARG  82          2HB       ARG  82  14.558   5.894   6.737
  616   2HB   ARG  82          1HB       ARG  82  14.758   5.459   8.427
  617   1HG   ARG  82          2HG       ARG  82  12.306   4.960   8.499
  618   2HG   ARG  82          1HG       ARG  82  12.278   5.189   6.748
  619   1HD   ARG  82          2HD       ARG  82  13.936   3.408   6.491
  620   2HD   ARG  82          1HD       ARG  82  13.972   3.184   8.238
  621    HE   ARG  82           HE       ARG  82  12.117   2.049   6.454
  622   1HH1  ARG  82          1HH1      ARG  82  12.247   3.565   9.593
  623   2HH1  ARG  82          2HH1      ARG  82  10.845   2.740  10.189
  624   1HH2  ARG  82          1HH2      ARG  82  10.274   0.963   7.232
  625   2HH2  ARG  82          2HH2      ARG  82   9.725   1.262   8.848
  626    H    VAL  83           H        VAL  83  15.883   6.331   8.952
  627    HA   VAL  83           HA       VAL  83  16.881   8.547  10.364
  628    HB   VAL  83           HB       VAL  83  18.473   6.254   9.210
  629   1HG1  VAL  83          1HG1      VAL  83  19.428   8.516  10.377
  630   2HG1  VAL  83          2HG1      VAL  83  20.244   6.953  10.398
  631   3HG1  VAL  83          3HG1      VAL  83  19.255   7.451  11.771
  632   1HG2  VAL  83          1HG2      VAL  83  16.497   5.584  10.608
  633   2HG2  VAL  83          2HG2      VAL  83  17.249   6.436  11.957
  634   3HG2  VAL  83          3HG2      VAL  83  18.062   5.054  11.224
  635    H    ARG  84           H        ARG  84  16.641  10.295   8.877
  636    HA   ARG  84           HA       ARG  84  19.052  10.823   7.402
  637   1HB   ARG  84          2HB       ARG  84  16.423  10.482   5.977
  638   2HB   ARG  84          1HB       ARG  84  17.670  11.543   5.339
  639   1HG   ARG  84          2HG       ARG  84  17.988   8.598   5.883
  640   2HG   ARG  84          1HG       ARG  84  17.726   9.334   4.302
  641   1HD   ARG  84          2HD       ARG  84  20.086   9.843   6.114
  642   2HD   ARG  84          1HD       ARG  84  20.092   8.807   4.687
  643    HE   ARG  84           HE       ARG  84  20.416  11.609   4.727
  644   1HH1  ARG  84          1HH1      ARG  84  18.873   9.079   2.892
  645   2HH1  ARG  84          2HH1      ARG  84  18.897   9.967   1.405
  646   1HH2  ARG  84          1HH2      ARG  84  20.448  12.785   2.772
  647   2HH2  ARG  84          2HH2      ARG  84  19.792  12.071   1.337
  648    H    LYS  85           H        LYS  85  17.876  11.924   9.699
  649    HA   LYS  85           HA       LYS  85  17.356  13.913  10.670
  650   1HB   LYS  85          2HB       LYS  85  19.399  14.537   9.314
  651   2HB   LYS  85          1HB       LYS  85  18.307  15.154   8.082
  652   1HG   LYS  85          2HG       LYS  85  19.121  16.963   9.450
  653   2HG   LYS  85          1HG       LYS  85  17.391  16.744   9.719
  654   1HD   LYS  85          2HD       LYS  85  17.865  15.502  11.773
  655   2HD   LYS  85          1HD       LYS  85  19.597  15.702  11.499
  656   1HE   LYS  85          2HE       LYS  85  19.339  18.131  11.657
  657   2HE   LYS  85          1HE       LYS  85  17.608  17.930  11.925
  658   1HZ   LYS  85          1HZ       LYS  85  19.781  16.963  13.704
  659   2HZ   LYS  85          2HZ       LYS  85  18.132  16.684  13.951
  660   3HZ   LYS  85          3HZ       LYS  85  18.740  18.262  14.009
  661    H    ALA  86           H        ALA  86  15.292  12.541   9.255
  662    HA   ALA  86           HA       ALA  86  13.546  14.820   8.625
  663   1HB   ALA  86          1HB       ALA  86  14.435  13.190   6.673
  664   2HB   ALA  86          2HB       ALA  86  12.872  14.004   6.634
  665   3HB   ALA  86          3HB       ALA  86  12.978  12.326   7.164
  666    H    GLU  87           H        GLU  87  13.093  11.289   8.772
  667    HA   GLU  87           HA       GLU  87  10.589  11.308   9.924
  668   1HB   GLU  87          2HB       GLU  87  11.773   9.325   8.950
  669   2HB   GLU  87          1HB       GLU  87  12.712   9.218  10.431
  670   1HG   GLU  87          2HG       GLU  87   9.712   9.046  10.335
  671   2HG   GLU  87          1HG       GLU  87  10.783   7.648  10.286
  672    H    ARG  88           H        ARG  88  13.429  10.288  11.807
  673    HA   ARG  88           HA       ARG  88  14.026  10.600  13.974
  674   1HB   ARG  88          2HB       ARG  88  12.344  13.102  13.720
  675   2HB   ARG  88          1HB       ARG  88  13.442  12.753  15.048
  676   1HG   ARG  88          2HG       ARG  88  14.291  12.980  12.169
  677   2HG   ARG  88          1HG       ARG  88  14.353  14.304  13.333
  678   1HD   ARG  88          2HD       ARG  88  15.746  11.668  13.759
  679   2HD   ARG  88          1HD       ARG  88  16.513  13.042  12.966
  680    HE   ARG  88           HE       ARG  88  16.699  14.094  15.008
  681   1HH1  ARG  88          1HH1      ARG  88  14.777  11.203  15.353
  682   2HH1  ARG  88          2HH1      ARG  88  14.701  11.310  17.080
  683   1HH2  ARG  88          1HH2      ARG  88  16.609  14.231  17.273
  684   2HH2  ARG  88          2HH2      ARG  88  15.744  13.028  18.171
  685    H    TRP  89           H        TRP  89  10.849  12.132  14.313
  686    HA   TRP  89           HA       TRP  89   9.729   9.748  15.527
  687   1HB   TRP  89          2HB       TRP  89  10.916  10.780  17.403
  688   2HB   TRP  89          1HB       TRP  89  10.093  12.305  17.105
  689    HD1  TRP  89           HD       TRP  89   8.515  12.619  19.094
  690    HE1  TRP  89           1HE      TRP  89   6.727  11.192  20.269
  691    HE3  TRP  89           3HE      TRP  89   9.209   8.215  16.584
  692    HZ2  TRP  89           2HZ      TRP  89   5.740   8.550  20.148
  693    HZ3  TRP  89           3HZ      TRP  89   7.800   6.286  17.178
  694    HH2  TRP  89           HH       TRP  89   6.103   6.453  18.924
  695    H    GLY  90           H        GLY  90   7.883   9.613  14.418
  696   1HA   GLY  90          2HA       GLY  90   5.704  11.247  14.797
  697   2HA   GLY  90          1HA       GLY  90   6.516  11.903  13.384
  698    HA   PRO  91           HA       PRO  91   3.665   8.408  12.097
  699   1HB   PRO  91          2HB       PRO  91   2.207  10.353  10.511
  700   2HB   PRO  91          1HB       PRO  91   1.615   9.324  11.816
  701   1HG   PRO  91          2HG       PRO  91   1.834  12.029  12.032
  702   2HG   PRO  91          1HG       PRO  91   1.964  10.927  13.414
  703   1HD   PRO  91          2HD       PRO  91   4.138  12.272  11.850
  704   2HD   PRO  91          1HD       PRO  91   3.999  12.026  13.606
  705    H    ARG  92           H        ARG  92   6.151   9.881  10.936
  706    HA   ARG  92           HA       ARG  92   5.738   9.934   8.118
  707   1HB   ARG  92          2HB       ARG  92   7.538  11.135   9.550
  708   2HB   ARG  92          1HB       ARG  92   8.426   9.624   9.428
  709   1HG   ARG  92          2HG       ARG  92   8.684   9.825   7.115
  710   2HG   ARG  92          1HG       ARG  92   7.413  11.042   6.992
  711   1HD   ARG  92          2HD       ARG  92  10.091  11.406   8.333
  712   2HD   ARG  92          1HD       ARG  92   9.633  12.042   6.753
  713    HE   ARG  92           HE       ARG  92   7.822  12.896   8.769
  714   1HH1  ARG  92          1HH1      ARG  92  10.990  13.509   7.450
  715   2HH1  ARG  92          2HH1      ARG  92  11.037  15.152   7.997
  716   1HH2  ARG  92          1HH2      ARG  92   7.878  15.054   9.488
  717   2HH2  ARG  92          2HH2      ARG  92   9.270  16.028   9.154
  718    H    THR  93           H        THR  93   8.173   8.474   7.347
  719    HA   THR  93           HA       THR  93   8.861   6.439   6.684
  720    HB   THR  93           HB       THR  93   8.585   4.512   8.030
  721    HG1  THR  93           1HG      THR  93   6.309   4.611   8.245
  722   1HG2  THR  93          1HG2      THR  93   9.047   5.195  10.291
  723   2HG2  THR  93          2HG2      THR  93   8.433   6.815   9.955
  724   3HG2  THR  93          3HG2      THR  93   9.899   6.243   9.156
  725    H    LEU  94           H        LEU  94   8.259   5.611   4.889
  726    HA   LEU  94           HA       LEU  94   5.565   5.754   3.995
  727   1HB   LEU  94          2HB       LEU  94   8.094   5.668   2.877
  728   2HB   LEU  94          1HB       LEU  94   7.360   4.167   2.364
  729    HG   LEU  94           HG       LEU  94   6.018   6.825   1.994
  730   1HD1  LEU  94          1HD1      LEU  94   7.994   5.408   0.242
  731   2HD1  LEU  94          2HD1      LEU  94   8.037   7.072   0.823
  732   3HD1  LEU  94          3HD1      LEU  94   6.844   6.591  -0.382
  733   1HD2  LEU  94          1HD2      LEU  94   5.265   4.111   1.542
  734   2HD2  LEU  94          2HD2      LEU  94   5.398   4.936  -0.011
  735   3HD2  LEU  94          3HD2      LEU  94   4.339   5.581   1.242
  736    H    ASP  95           H        ASP  95   4.193   4.095   3.365
  737    HA   ASP  95           HA       ASP  95   4.758   1.470   4.577
  738   1HB   ASP  95          2HB       ASP  95   2.933   2.634   5.722
  739   2HB   ASP  95          1HB       ASP  95   2.092   2.854   4.191
  740    H    LEU  96           H        LEU  96   5.580   0.439   2.820
  741    HA   LEU  96           HA       LEU  96   3.843   0.277   0.455
  742   1HB   LEU  96          2HB       LEU  96   6.173  -0.604  -0.522
  743   2HB   LEU  96          1HB       LEU  96   5.683   1.075  -0.557
  744    HG   LEU  96           HG       LEU  96   8.038   0.715   0.129
  745   1HD1  LEU  96          1HD1      LEU  96   6.194   2.486   1.157
  746   2HD1  LEU  96          2HD1      LEU  96   7.950   2.617   1.262
  747   3HD1  LEU  96          3HD1      LEU  96   7.039   1.878   2.581
  748   1HD2  LEU  96          1HD2      LEU  96   8.610  -0.208   2.246
  749   2HD2  LEU  96          2HD2      LEU  96   7.604  -1.387   1.403
  750   3HD2  LEU  96          3HD2      LEU  96   6.911  -0.395   2.686
  751    H    ASP  97           H        ASP  97   2.766  -1.544   0.342
  752    HA   ASP  97           HA       ASP  97   4.155  -4.073   0.669
  753   1HB   ASP  97          2HB       ASP  97   2.359  -4.976   2.162
  754   2HB   ASP  97          1HB       ASP  97   3.365  -3.751   2.926
  755    H    ILE  98           H        ILE  98   2.604  -5.916   0.121
  756    HA   ILE  98           HA       ILE  98   0.926  -5.019  -2.126
  757    HB   ILE  98           HB       ILE  98   1.500  -7.254  -3.150
  758   1HG1  ILE  98          2HG1      ILE  98   3.836  -8.036  -2.218
  759   2HG1  ILE  98          1HG1      ILE  98   3.254  -7.307  -0.730
  760   1HG2  ILE  98          1HG2      ILE  98   3.217  -4.907  -2.843
  761   2HG2  ILE  98          2HG2      ILE  98   2.680  -5.741  -4.301
  762   3HG2  ILE  98          3HG2      ILE  98   4.058  -6.358  -3.391
  763   1HD1  ILE  98          1HD1      ILE  98   2.475  -9.799  -2.042
  764   2HD1  ILE  98          2HD1      ILE  98   1.130  -8.831  -1.435
  765   3HD1  ILE  98          3HD1      ILE  98   2.417  -9.337  -0.340
  766    H    MET  99           H        MET  99  -1.050  -5.954  -2.477
  767    HA   MET  99           HA       MET  99  -1.984  -7.840  -0.435
  768   1HB   MET  99          2HB       MET  99  -3.440  -5.652  -1.912
  769   2HB   MET  99          1HB       MET  99  -4.299  -6.980  -1.157
  770   1HG   MET  99          2HG       MET  99  -4.317  -5.056   0.277
  771   2HG   MET  99          1HG       MET  99  -3.367  -6.345   1.007
  772   1HE   MET  99          1HE       MET  99  -3.449  -3.943   2.192
  773   2HE   MET  99          2HE       MET  99  -2.273  -2.667   1.878
  774   3HE   MET  99          3HE       MET  99  -1.779  -4.136   2.719
  775    H    LEU 100           H        LEU 100  -0.844  -7.598  -3.444
  776    HA   LEU 100           HA       LEU 100  -2.159 -10.028  -4.314
  777   1HB   LEU 100          2HB       LEU 100  -3.328  -7.630  -4.939
  778   2HB   LEU 100          1HB       LEU 100  -2.336  -7.938  -6.349
  779    HG   LEU 100           HG       LEU 100  -4.551  -8.739  -6.705
  780   1HD1  LEU 100          1HD1      LEU 100  -2.746 -11.095  -6.234
  781   2HD1  LEU 100          2HD1      LEU 100  -2.606 -10.004  -7.614
  782   3HD1  LEU 100          3HD1      LEU 100  -4.061 -10.980  -7.404
  783   1HD2  LEU 100          1HD2      LEU 100  -4.119 -10.240  -4.152
  784   2HD2  LEU 100          2HD2      LEU 100  -5.333 -10.742  -5.333
  785   3HD2  LEU 100          3HD2      LEU 100  -5.435  -9.147  -4.580
  786    H    PHE 101           H        PHE 101  -0.962 -11.162  -5.856
  787    HA   PHE 101           HA       PHE 101   1.395  -9.772  -6.956
  788   1HB   PHE 101          2HB       PHE 101   2.079 -11.254  -5.089
  789   2HB   PHE 101          1HB       PHE 101   1.371 -12.623  -5.943
  790    HD1  PHE 101           1HD      PHE 101   2.995 -14.002  -6.789
  791    HD2  PHE 101           2HD      PHE 101   3.588  -9.791  -6.968
  792    HE1  PHE 101           1HE      PHE 101   5.113 -14.354  -7.990
  793    HE2  PHE 101           2HE      PHE 101   5.706 -10.137  -8.171
  794    HZ   PHE 101           HZ       PHE 101   6.470 -12.420  -8.684
  795    H    GLY 102           H        GLY 102  -0.184  -9.542  -8.774
  796   1HA   GLY 102          2HA       GLY 102  -0.632 -10.088 -10.967
  797   2HA   GLY 102          1HA       GLY 102   0.371 -11.517 -10.764
  798    H    ASN 103           H        ASN 103  -1.518 -11.961  -8.316
  799    HA   ASN 103           HA       ASN 103  -3.627 -12.837  -7.871
  800   1HB   ASN 103          2HB       ASN 103  -4.523 -11.857 -10.015
  801   2HB   ASN 103          1HB       ASN 103  -3.926 -13.280 -10.858
  802   1HD2  ASN 103          1HD2      ASN 103  -6.344 -11.978  -8.806
  803   2HD2  ASN 103          2HD2      ASN 103  -7.374 -13.361  -8.777
  804    H    GLU 104           H        GLU 104  -1.183 -13.850  -7.700
  805    HA   GLU 104           HA       GLU 104  -1.437 -16.669  -8.491
  806   1HB   GLU 104          2HB       GLU 104   0.454 -15.043  -9.353
  807   2HB   GLU 104          1HB       GLU 104   1.152 -15.348  -7.772
  808   1HG   GLU 104          2HG       GLU 104   0.447 -17.445  -9.801
  809   2HG   GLU 104          1HG       GLU 104   2.050 -16.778  -9.518
  810    H    VAL 105           H        VAL 105  -1.554 -18.083  -6.807
  811    HA   VAL 105           HA       VAL 105  -1.582 -17.045  -4.138
  812    HB   VAL 105           HB       VAL 105  -1.689 -19.941  -5.019
  813   1HG1  VAL 105          1HG1      VAL 105  -3.105 -19.703  -2.679
  814   2HG1  VAL 105          2HG1      VAL 105  -1.728 -18.631  -2.418
  815   3HG1  VAL 105          3HG1      VAL 105  -1.463 -20.326  -2.832
  816   1HG2  VAL 105          1HG2      VAL 105  -4.085 -19.774  -4.901
  817   2HG2  VAL 105          2HG2      VAL 105  -3.486 -18.522  -5.989
  818   3HG2  VAL 105          3HG2      VAL 105  -3.984 -18.100  -4.351
  819    H    ILE 106           H        ILE 106   0.353 -16.371  -3.484
  820    HA   ILE 106           HA       ILE 106   2.407 -18.384  -3.028
  821    HB   ILE 106           HB       ILE 106   3.029 -17.592  -5.167
  822   1HG1  ILE 106          2HG1      ILE 106   4.673 -16.052  -3.157
  823   2HG1  ILE 106          1HG1      ILE 106   4.915 -17.742  -3.610
  824   1HG2  ILE 106          1HG2      ILE 106   2.676 -15.538  -5.984
  825   2HG2  ILE 106          2HG2      ILE 106   3.246 -14.741  -4.516
  826   3HG2  ILE 106          3HG2      ILE 106   1.601 -15.374  -4.594
  827   1HD1  ILE 106          1HD1      ILE 106   4.826 -16.133  -5.962
  828   2HD1  ILE 106          2HD1      ILE 106   6.144 -17.137  -5.344
  829   3HD1  ILE 106          3HD1      ILE 106   5.998 -15.456  -4.825
  830    H    ASN 107           H        ASN 107   2.300 -18.179  -0.845
  831    HA   ASN 107           HA       ASN 107   2.825 -15.510   0.282
  832   1HB   ASN 107          2HB       ASN 107   1.370 -17.823   1.581
  833   2HB   ASN 107          1HB       ASN 107   1.661 -16.244   2.308
  834   1HD2  ASN 107          1HD2      ASN 107   1.252 -15.370  -0.688
  835   2HD2  ASN 107          2HD2      ASN 107  -0.450 -15.174  -0.766
  836    H    THR 108           H        THR 108   4.398 -15.239   1.732
  837    HA   THR 108           HA       THR 108   5.801 -17.496   2.886
  838    HB   THR 108           HB       THR 108   7.045 -17.351   0.869
  839    HG1  THR 108           1HG      THR 108   9.024 -16.917   1.666
  840   1HG2  THR 108          1HG2      THR 108   6.456 -14.537   0.987
  841   2HG2  THR 108          2HG2      THR 108   6.988 -15.527  -0.374
  842   3HG2  THR 108          3HG2      THR 108   8.177 -14.825   0.724
  843    H    GLU 109           H        GLU 109   5.954 -13.986   2.357
  844    HA   GLU 109           HA       GLU 109   5.389 -13.139   4.892
  845   1HB   GLU 109          2HB       GLU 109   7.382 -14.357   5.667
  846   2HB   GLU 109          1HB       GLU 109   8.381 -13.456   4.537
  847   1HG   GLU 109          2HG       GLU 109   8.656 -12.535   6.725
  848   2HG   GLU 109          1HG       GLU 109   7.783 -11.375   5.727
  849    H    ARG 110           H        ARG 110   7.884 -12.534   2.438
  850    HA   ARG 110           HA       ARG 110   7.361  -9.681   2.532
  851   1HB   ARG 110          2HB       ARG 110   9.208 -11.316   0.782
  852   2HB   ARG 110          1HB       ARG 110   9.087  -9.566   0.730
  853   1HG   ARG 110          2HG       ARG 110  10.004 -11.211   3.080
  854   2HG   ARG 110          1HG       ARG 110  11.027 -10.271   1.989
  855   1HD   ARG 110          2HD       ARG 110   9.821  -8.227   2.687
  856   2HD   ARG 110          1HD       ARG 110   8.917  -9.194   3.853
  857    HE   ARG 110           HE       ARG 110  11.623  -9.637   4.322
  858   1HH1  ARG 110          1HH1      ARG 110   9.352  -6.998   4.478
  859   2HH1  ARG 110          2HH1      ARG 110  10.197  -6.178   5.747
  860   1HH2  ARG 110          1HH2      ARG 110  12.742  -8.562   5.988
  861   2HH2  ARG 110          2HH2      ARG 110  12.123  -7.066   6.605
  862    H    LEU 111           H        LEU 111   6.200 -12.422   0.936
  863    HA   LEU 111           HA       LEU 111   4.680 -10.734  -0.888
  864   1HB   LEU 111          2HB       LEU 111   6.423 -11.354  -2.323
  865   2HB   LEU 111          1HB       LEU 111   6.469 -12.995  -1.703
  866    HG   LEU 111           HG       LEU 111   4.416 -13.555  -2.827
  867   1HD1  LEU 111          1HD1      LEU 111   4.092 -10.684  -2.882
  868   2HD1  LEU 111          2HD1      LEU 111   2.887 -11.960  -3.062
  869   3HD1  LEU 111          3HD1      LEU 111   3.806 -11.408  -4.464
  870   1HD2  LEU 111          1HD2      LEU 111   5.855 -11.998  -4.918
  871   2HD2  LEU 111          2HD2      LEU 111   5.211 -13.639  -4.979
  872   3HD2  LEU 111          3HD2      LEU 111   6.695 -13.305  -4.086
  873    H    THR 112           H        THR 112   2.706 -11.096  -0.220
  874    HA   THR 112           HA       THR 112   1.699 -13.853  -0.211
  875    HB   THR 112           HB       THR 112   1.883 -13.268   2.109
  876    HG1  THR 112           1HG      THR 112   0.004 -14.267   1.975
  877   1HG2  THR 112          1HG2      THR 112   1.098 -10.625   1.228
  878   2HG2  THR 112          2HG2      THR 112   1.918 -11.135   2.704
  879   3HG2  THR 112          3HG2      THR 112   0.157 -11.183   2.610
  880    H    VAL 113           H        VAL 113   0.134 -14.049  -1.735
  881    HA   VAL 113           HA       VAL 113  -0.907 -11.749  -3.025
  882    HB   VAL 113           HB       VAL 113  -0.513 -13.985  -4.131
  883   1HG1  VAL 113          1HG1      VAL 113  -1.608 -15.542  -2.762
  884   2HG1  VAL 113          2HG1      VAL 113  -2.586 -15.434  -4.225
  885   3HG1  VAL 113          3HG1      VAL 113  -3.104 -14.609  -2.756
  886   1HG2  VAL 113          1HG2      VAL 113  -3.119 -13.467  -5.129
  887   2HG2  VAL 113          2HG2      VAL 113  -1.561 -12.975  -5.792
  888   3HG2  VAL 113          3HG2      VAL 113  -2.394 -11.936  -4.638
  889    HA   PRO 114           HA       PRO 114  -5.015 -12.651  -0.768
  890   1HB   PRO 114          2HB       PRO 114  -4.305 -14.151   1.615
  891   2HB   PRO 114          1HB       PRO 114  -5.475 -14.584   0.368
  892   1HG   PRO 114          2HG       PRO 114  -3.188 -15.970   0.707
  893   2HG   PRO 114          1HG       PRO 114  -3.881 -15.687  -0.907
  894   1HD   PRO 114          2HD       PRO 114  -1.708 -14.152   0.498
  895   2HD   PRO 114          1HD       PRO 114  -1.705 -14.842  -1.143
  896    H    HIS 115           H        HIS 115  -2.012 -11.846   0.336
  897    HA   HIS 115           HA       HIS 115  -1.110 -10.435   1.861
  898   1HB   HIS 115          2HB       HIS 115  -2.358  -8.837   0.461
  899   2HB   HIS 115          1HB       HIS 115  -3.738  -8.985   1.548
  900    HD1  HIS 115           1HD      HIS 115  -0.033  -8.168   1.957
  901    HD2  HIS 115           2HD      HIS 115  -3.758  -6.972   3.351
  902    HE1  HIS 115           1HE      HIS 115   0.421  -6.280   3.554
  903    HE2  HIS 115           2HE      HIS 115  -1.856  -5.488   4.281
  904    H    TYR 116           H        TYR 116  -0.778 -11.222   3.823
  905    HA   TYR 116           HA       TYR 116  -2.793 -12.126   5.565
  906   1HB   TYR 116          2HB       TYR 116   0.084 -11.354   6.013
  907   2HB   TYR 116          1HB       TYR 116  -0.948 -11.881   7.338
  908    HD1  TYR 116           1HD      TYR 116  -0.565 -13.119   3.826
  909    HD2  TYR 116           2HD      TYR 116  -0.301 -13.998   7.979
  910    HE1  TYR 116           1HE      TYR 116  -0.068 -15.466   3.291
  911    HE2  TYR 116           2HE      TYR 116   0.201 -16.347   7.457
  912    HH   TYR 116           HH       TYR 116   0.462 -17.864   5.860
  913    H    ASP 117           H        ASP 117  -4.338 -10.898   6.331
  914    HA   ASP 117           HA       ASP 117  -5.288  -9.416   7.784
  915   1HB   ASP 117          2HB       ASP 117  -2.610  -8.032   7.796
  916   2HB   ASP 117          1HB       ASP 117  -4.008  -7.495   8.719
  917    H    MET 118           H        MET 118  -5.286  -9.228   4.803
  918    HA   MET 118           HA       MET 118  -5.278  -6.467   4.113
  919   1HB   MET 118          2HB       MET 118  -6.962  -7.364   2.256
  920   2HB   MET 118          1HB       MET 118  -5.234  -7.718   2.146
  921   1HG   MET 118          2HG       MET 118  -6.402  -9.718   1.696
  922   2HG   MET 118          1HG       MET 118  -5.731  -9.888   3.312
  923   1HE   MET 118          1HE       MET 118  -8.676 -11.814   2.321
  924   2HE   MET 118          2HE       MET 118  -8.590 -11.960   4.076
  925   3HE   MET 118          3HE       MET 118  -7.108 -11.895   3.124
  926    H    LYS 119           H        LYS 119  -7.601  -8.653   5.504
  927    HA   LYS 119           HA       LYS 119  -9.898  -7.000   5.290
  928   1HB   LYS 119          2HB       LYS 119 -10.830  -8.450   7.063
  929   2HB   LYS 119          1HB       LYS 119 -10.102  -9.383   5.761
  930   1HG   LYS 119          2HG       LYS 119  -8.129  -9.784   7.097
  931   2HG   LYS 119          1HG       LYS 119  -8.765  -8.764   8.386
  932   1HD   LYS 119          2HD       LYS 119  -9.108 -11.098   8.936
  933   2HD   LYS 119          1HD       LYS 119 -10.663 -10.316   8.646
  934   1HE   LYS 119          2HE       LYS 119 -10.694 -11.237   6.376
  935   2HE   LYS 119          1HE       LYS 119  -9.145 -12.025   6.677
  936   1HZ   LYS 119          1HZ       LYS 119 -10.593 -13.712   7.131
  937   2HZ   LYS 119          2HZ       LYS 119 -11.802 -12.688   7.725
  938   3HZ   LYS 119          3HZ       LYS 119 -10.449 -13.040   8.677
  939    H    ASN 120           H        ASN 120  -7.078  -6.452   6.775
  940    HA   ASN 120           HA       ASN 120  -8.274  -4.838   8.929
  941   1HB   ASN 120          2HB       ASN 120  -5.592  -6.217   8.763
  942   2HB   ASN 120          1HB       ASN 120  -5.963  -4.994   9.971
  943   1HD2  ASN 120          1HD2      ASN 120  -5.751  -8.186   9.512
  944   2HD2  ASN 120          2HD2      ASN 120  -6.889  -8.750  10.683
  945    H    ARG 121           H        ARG 121  -7.784  -4.254   6.056
  946    HA   ARG 121           HA       ARG 121  -6.565  -1.659   6.413
  947   1HB   ARG 121          2HB       ARG 121  -5.361  -3.723   4.578
  948   2HB   ARG 121          1HB       ARG 121  -5.065  -2.002   4.410
  949   1HG   ARG 121          2HG       ARG 121  -4.184  -2.040   6.766
  950   2HG   ARG 121          1HG       ARG 121  -4.256  -3.804   6.666
  951   1HD   ARG 121          2HD       ARG 121  -2.861  -3.710   4.641
  952   2HD   ARG 121          1HD       ARG 121  -2.739  -1.961   4.836
  953    HE   ARG 121           HE       ARG 121  -1.165  -3.898   6.147
  954   1HH1  ARG 121          1HH1      ARG 121  -2.816  -0.889   6.766
  955   2HH1  ARG 121          2HH1      ARG 121  -1.751  -0.423   8.050
  956   1HH2  ARG 121          1HH2      ARG 121   0.240  -3.286   7.831
  957   2HH2  ARG 121          2HH2      ARG 121  -0.015  -1.783   8.653
  958    H    GLY 122           H        GLY 122  -9.129  -2.012   5.921
  959   1HA   GLY 122          2HA       GLY 122  -9.958  -2.404   3.283
  960   2HA   GLY 122          1HA       GLY 122 -10.809  -1.427   4.482
  961    H    PHE 123           H        PHE 123  -8.396   0.382   4.734
  962    HA   PHE 123           HA       PHE 123  -9.255   2.272   2.829
  963   1HB   PHE 123          2HB       PHE 123  -7.106   3.495   3.567
  964   2HB   PHE 123          1HB       PHE 123  -8.395   3.255   4.737
  965    HD1  PHE 123           1HD      PHE 123  -5.685   1.001   3.532
  966    HD2  PHE 123           2HD      PHE 123  -7.438   3.041   6.825
  967    HE1  PHE 123           1HE      PHE 123  -4.087  -0.088   5.052
  968    HE2  PHE 123           2HE      PHE 123  -5.844   1.958   8.351
  969    HZ   PHE 123           HZ       PHE 123  -4.179   0.409   7.494
  970    H    MET 124           H        MET 124  -7.225  -0.370   2.505
  971    HA   MET 124           HA       MET 124  -5.958   0.796   0.117
  972   1HB   MET 124          2HB       MET 124  -5.163  -1.729   1.584
  973   2HB   MET 124          1HB       MET 124  -4.321  -1.005   0.222
  974   1HG   MET 124          2HG       MET 124  -4.470  -0.079   3.056
  975   2HG   MET 124          1HG       MET 124  -3.053  -0.384   2.054
  976   1HE   MET 124          1HE       MET 124  -2.302   1.955  -0.038
  977   2HE   MET 124          2HE       MET 124  -3.895   2.396  -0.658
  978   3HE   MET 124          3HE       MET 124  -3.477   0.698  -0.430
  979    H    LEU 125           H        LEU 125  -8.192  -1.471   1.341
  980    HA   LEU 125           HA       LEU 125  -8.291  -3.069  -1.059
  981   1HB   LEU 125          2HB       LEU 125 -10.204  -3.107   1.253
  982   2HB   LEU 125          1HB       LEU 125  -9.980  -4.355   0.050
  983    HG   LEU 125           HG       LEU 125  -8.354  -3.716   2.459
  984   1HD1  LEU 125          1HD1      LEU 125  -8.695  -5.881   2.989
  985   2HD1  LEU 125          2HD1      LEU 125  -8.626  -6.423   1.314
  986   3HD1  LEU 125          3HD1      LEU 125 -10.087  -5.655   1.934
  987   1HD2  LEU 125          1HD2      LEU 125  -6.397  -4.837   1.633
  988   2HD2  LEU 125          2HD2      LEU 125  -6.764  -3.483   0.565
  989   3HD2  LEU 125          3HD2      LEU 125  -7.169  -5.127   0.074
  990    H    TRP 126           H        TRP 126 -10.311  -0.497   0.399
  991    HA   TRP 126           HA       TRP 126 -12.467  -0.681  -1.408
  992   1HB   TRP 126          2HB       TRP 126 -11.436   2.002  -0.451
  993   2HB   TRP 126          1HB       TRP 126 -13.072   1.586  -0.930
  994    HD1  TRP 126           HD       TRP 126 -11.036   2.248   1.996
  995    HE1  TRP 126           1HE      TRP 126 -12.243   1.524   4.155
  996    HE3  TRP 126           3HE      TRP 126 -14.744  -0.574  -0.066
  997    HZ2  TRP 126           2HZ      TRP 126 -14.482  -0.036   4.875
  998    HZ3  TRP 126           3HZ      TRP 126 -16.382  -1.650   1.419
  999    HH2  TRP 126           HH       TRP 126 -16.253  -1.384   3.839
 1000    HA   PRO 127           HA       PRO 127  -9.749   2.674  -3.917
 1001   1HB   PRO 127          2HB       PRO 127  -7.078   1.834  -3.561
 1002   2HB   PRO 127          1HB       PRO 127  -7.800   3.330  -2.967
 1003   1HG   PRO 127          2HG       PRO 127  -7.361   0.741  -1.565
 1004   2HG   PRO 127          1HG       PRO 127  -7.273   2.392  -0.923
 1005   1HD   PRO 127          2HD       PRO 127  -9.362   0.861  -0.369
 1006   2HD   PRO 127          1HD       PRO 127  -9.589   2.578  -0.763
 1007    H    LEU 128           H        LEU 128  -8.264  -0.542  -3.337
 1008    HA   LEU 128           HA       LEU 128  -7.678  -1.040  -6.049
 1009   1HB   LEU 128          2HB       LEU 128  -6.664  -2.361  -4.246
 1010   2HB   LEU 128          1HB       LEU 128  -8.232  -3.035  -3.853
 1011    HG   LEU 128           HG       LEU 128  -7.271  -3.388  -6.651
 1012   1HD1  LEU 128          1HD1      LEU 128  -6.446  -5.656  -5.194
 1013   2HD1  LEU 128          2HD1      LEU 128  -5.719  -4.240  -4.431
 1014   3HD1  LEU 128          3HD1      LEU 128  -5.462  -4.545  -6.148
 1015   1HD2  LEU 128          1HD2      LEU 128  -9.293  -4.466  -4.900
 1016   2HD2  LEU 128          2HD2      LEU 128  -8.306  -5.749  -5.599
 1017   3HD2  LEU 128          3HD2      LEU 128  -9.132  -4.599  -6.650
 1018    H    PHE 129           H        PHE 129 -10.488  -1.708  -4.063
 1019    HA   PHE 129           HA       PHE 129 -11.868  -3.348  -5.847
 1020   1HB   PHE 129          2HB       PHE 129 -12.479  -3.024  -3.477
 1021   2HB   PHE 129          1HB       PHE 129 -13.028  -1.406  -3.853
 1022    HD1  PHE 129           1HD      PHE 129 -15.005  -1.118  -5.414
 1023    HD2  PHE 129           2HD      PHE 129 -13.852  -4.898  -3.797
 1024    HE1  PHE 129           1HE      PHE 129 -17.244  -2.024  -5.905
 1025    HE2  PHE 129           2HE      PHE 129 -16.080  -5.802  -4.308
 1026    HZ   PHE 129           HZ       PHE 129 -17.771  -4.367  -5.394
 1027    H    GLU 130           H        GLU 130 -11.052  -0.066  -6.027
 1028    HA   GLU 130           HA       GLU 130 -13.180   0.562  -7.937
 1029   1HB   GLU 130          2HB       GLU 130 -12.752   2.253  -6.251
 1030   2HB   GLU 130          1HB       GLU 130 -11.048   2.300  -6.682
 1031   1HG   GLU 130          2HG       GLU 130 -12.178   4.213  -7.598
 1032   2HG   GLU 130          1HG       GLU 130 -11.646   3.156  -8.903
 1033    H    ILE 131           H        ILE 131  -9.629   0.460  -7.728
 1034    HA   ILE 131           HA       ILE 131  -9.157   1.145 -10.440
 1035    HB   ILE 131           HB       ILE 131  -6.888   0.332 -10.110
 1036   1HG1  ILE 131          2HG1      ILE 131  -7.806  -0.619  -7.384
 1037   2HG1  ILE 131          1HG1      ILE 131  -7.504  -1.681  -8.758
 1038   1HG2  ILE 131          1HG2      ILE 131  -6.799   2.413  -9.277
 1039   2HG2  ILE 131          2HG2      ILE 131  -6.641   1.601  -7.719
 1040   3HG2  ILE 131          3HG2      ILE 131  -8.220   2.175  -8.259
 1041   1HD1  ILE 131          1HD1      ILE 131  -5.310  -1.671  -8.403
 1042   2HD1  ILE 131          2HD1      ILE 131  -5.693  -0.972  -6.829
 1043   3HD1  ILE 131          3HD1      ILE 131  -5.265   0.079  -8.180
 1044    H    ALA 132           H        ALA 132 -10.124  -1.765  -8.880
 1045    HA   ALA 132           HA       ALA 132 -10.662  -3.111 -11.294
 1046   1HB   ALA 132          1HB       ALA 132  -8.455  -3.632 -11.682
 1047   2HB   ALA 132          2HB       ALA 132  -8.973  -5.036 -10.751
 1048   3HB   ALA 132          3HB       ALA 132  -8.066  -3.744  -9.965
 1049    HA   PRO 133           HA       PRO 133 -12.826  -4.773  -7.554
 1050   1HB   PRO 133          2HB       PRO 133 -15.330  -4.568  -8.535
 1051   2HB   PRO 133          1HB       PRO 133 -14.495  -3.201  -7.794
 1052   1HG   PRO 133          2HG       PRO 133 -14.933  -3.815 -10.680
 1053   2HG   PRO 133          1HG       PRO 133 -14.972  -2.253  -9.846
 1054   1HD   PRO 133          2HD       PRO 133 -12.842  -3.181 -11.328
 1055   2HD   PRO 133          1HD       PRO 133 -12.720  -1.964 -10.043
 1056    H    GLU 134           H        GLU 134 -11.807  -6.029 -10.249
 1057    HA   GLU 134           HA       GLU 134 -13.701  -8.277 -10.343
 1058   1HB   GLU 134          2HB       GLU 134 -11.585  -7.452 -12.340
 1059   2HB   GLU 134          1HB       GLU 134 -12.667  -8.826 -12.516
 1060   1HG   GLU 134          2HG       GLU 134 -14.585  -7.320 -12.551
 1061   2HG   GLU 134          1HG       GLU 134 -13.508  -5.939 -12.362
 1062    H    LEU 135           H        LEU 135 -10.787  -7.401  -9.016
 1063    HA   LEU 135           HA       LEU 135  -9.205  -9.701  -9.403
 1064   1HB   LEU 135          2HB       LEU 135  -8.673  -7.346  -8.345
 1065   2HB   LEU 135          1HB       LEU 135  -9.111  -8.147  -6.850
 1066    HG   LEU 135           HG       LEU 135  -6.746  -8.252  -7.033
 1067   1HD1  LEU 135          1HD1      LEU 135  -7.536 -10.970  -7.981
 1068   2HD1  LEU 135          2HD1      LEU 135  -8.062 -10.364  -6.412
 1069   3HD1  LEU 135          3HD1      LEU 135  -6.341 -10.511  -6.769
 1070   1HD2  LEU 135          1HD2      LEU 135  -6.226  -7.807  -9.246
 1071   2HD2  LEU 135          2HD2      LEU 135  -7.287  -9.078  -9.855
 1072   3HD2  LEU 135          3HD2      LEU 135  -5.766  -9.500  -9.071
 1073    H    VAL 136           H        VAL 136 -10.276 -11.612  -9.087
 1074    HA   VAL 136           HA       VAL 136 -11.166 -12.153  -6.338
 1075    HB   VAL 136           HB       VAL 136 -12.477 -13.124  -8.878
 1076   1HG1  VAL 136          1HG1      VAL 136 -14.087 -13.926  -6.826
 1077   2HG1  VAL 136          2HG1      VAL 136 -12.477 -14.182  -6.143
 1078   3HG1  VAL 136          3HG1      VAL 136 -12.929 -14.958  -7.664
 1079   1HG2  VAL 136          1HG2      VAL 136 -14.413 -12.014  -7.290
 1080   2HG2  VAL 136          2HG2      VAL 136 -13.611 -11.206  -8.638
 1081   3HG2  VAL 136          3HG2      VAL 136 -13.029 -10.961  -6.991
 1082    H    PHE 137           H        PHE 137  -9.554 -13.387  -5.565
 1083    HA   PHE 137           HA       PHE 137  -9.282 -16.048  -6.272
 1084   1HB   PHE 137          2HB       PHE 137  -8.294 -15.032  -8.368
 1085   2HB   PHE 137          1HB       PHE 137  -6.936 -14.533  -7.365
 1086    HD1  PHE 137           1HD      PHE 137  -5.091 -15.871  -7.518
 1087    HD2  PHE 137           2HD      PHE 137  -8.943 -17.647  -7.868
 1088    HE1  PHE 137           1HE      PHE 137  -4.042 -18.071  -7.846
 1089    HE2  PHE 137           2HE      PHE 137  -7.900 -19.851  -8.194
 1090    HZ   PHE 137           HZ       PHE 137  -5.447 -20.066  -8.183
 1091    HA   PRO 138           HA       PRO 138  -5.464 -14.719  -3.487
 1092   1HB   PRO 138          2HB       PRO 138  -5.821 -12.355  -2.187
 1093   2HB   PRO 138          1HB       PRO 138  -4.973 -12.495  -3.729
 1094   1HG   PRO 138          2HG       PRO 138  -7.858 -11.805  -3.233
 1095   2HG   PRO 138          1HG       PRO 138  -6.669 -10.936  -4.225
 1096   1HD   PRO 138          2HD       PRO 138  -8.369 -12.568  -5.394
 1097   2HD   PRO 138          1HD       PRO 138  -6.660 -12.605  -5.875
 1098    H    ASP 139           H        ASP 139  -7.295 -16.366  -2.778
 1099    HA   ASP 139           HA       ASP 139  -8.643 -17.282  -1.191
 1100   1HB   ASP 139          2HB       ASP 139  -6.482 -15.953   0.439
 1101   2HB   ASP 139          1HB       ASP 139  -7.649 -17.090   1.104
 1102    H    GLY 140           H        GLY 140  -9.830 -14.963  -2.074
 1103   1HA   GLY 140          2HA       GLY 140 -11.793 -14.464  -0.263
 1104   2HA   GLY 140          1HA       GLY 140 -10.541 -13.322   0.186
 1105    H    GLU 141           H        GLU 141 -10.922 -14.242  -3.120
 1106    HA   GLU 141           HA       GLU 141 -11.248 -12.937  -4.950
 1107   1HB   GLU 141          2HB       GLU 141 -13.568 -11.799  -4.885
 1108   2HB   GLU 141          1HB       GLU 141 -13.480 -13.550  -4.796
 1109   1HG   GLU 141          2HG       GLU 141 -13.767 -13.419  -2.362
 1110   2HG   GLU 141          1HG       GLU 141 -13.915 -11.667  -2.486
 1111    H    MET 142           H        MET 142 -13.055 -10.445  -4.549
 1112    HA   MET 142           HA       MET 142 -11.110  -8.500  -4.807
 1113   1HB   MET 142          2HB       MET 142 -13.777  -7.889  -3.588
 1114   2HB   MET 142          1HB       MET 142 -12.864  -6.967  -4.782
 1115   1HG   MET 142          2HG       MET 142 -13.296  -8.708  -6.446
 1116   2HG   MET 142          1HG       MET 142 -14.218  -9.608  -5.247
 1117   1HE   MET 142          1HE       MET 142 -17.197  -8.748  -7.221
 1118   2HE   MET 142          2HE       MET 142 -15.786  -9.798  -7.100
 1119   3HE   MET 142          3HE       MET 142 -15.796  -8.465  -8.253
 1120    H    LEU 143           H        LEU 143 -10.204  -6.985  -3.376
 1121    HA   LEU 143           HA       LEU 143  -9.664  -7.949  -0.772
 1122   1HB   LEU 143          2HB       LEU 143  -9.349  -5.050  -1.326
 1123   2HB   LEU 143          1HB       LEU 143  -8.280  -6.144  -0.481
 1124    HG   LEU 143           HG       LEU 143  -8.529  -5.649  -3.420
 1125   1HD1  LEU 143          1HD1      LEU 143  -5.953  -5.634  -2.981
 1126   2HD1  LEU 143          2HD1      LEU 143  -6.444  -5.386  -1.306
 1127   3HD1  LEU 143          3HD1      LEU 143  -6.943  -4.240  -2.548
 1128   1HD2  LEU 143          1HD2      LEU 143  -6.665  -7.557  -3.397
 1129   2HD2  LEU 143          2HD2      LEU 143  -8.373  -7.921  -3.642
 1130   3HD2  LEU 143          3HD2      LEU 143  -7.645  -8.139  -2.051
 1131    H    ARG 144           H        ARG 144 -11.609  -5.236  -1.928
 1132    HA   ARG 144           HA       ARG 144 -12.601  -4.308   0.480
 1133   1HB   ARG 144          2HB       ARG 144 -12.953  -3.149  -1.679
 1134   2HB   ARG 144          1HB       ARG 144 -14.037  -4.435  -2.163
 1135   1HG   ARG 144          2HG       ARG 144 -15.544  -3.892  -0.352
 1136   2HG   ARG 144          1HG       ARG 144 -14.472  -2.606   0.177
 1137   1HD   ARG 144          2HD       ARG 144 -14.828  -1.410  -1.893
 1138   2HD   ARG 144          1HD       ARG 144 -15.788  -2.743  -2.535
 1139    HE   ARG 144           HE       ARG 144 -16.981  -1.908  -0.161
 1140   1HH1  ARG 144          1HH1      ARG 144 -16.323  -0.638  -3.338
 1141   2HH1  ARG 144          2HH1      ARG 144 -17.722   0.382  -3.360
 1142   1HH2  ARG 144          1HH2      ARG 144 -18.827  -0.571  -0.181
 1143   2HH2  ARG 144          2HH2      ARG 144 -19.146   0.421  -1.564
 1144    H    GLN 145           H        GLN 145 -13.252  -7.143  -1.256
 1145    HA   GLN 145           HA       GLN 145 -15.838  -7.716  -0.381
 1146   1HB   GLN 145          2HB       GLN 145 -14.166  -8.882  -2.087
 1147   2HB   GLN 145          1HB       GLN 145 -13.850  -9.904  -0.686
 1148   1HG   GLN 145          2HG       GLN 145 -15.551 -10.926  -1.936
 1149   2HG   GLN 145          1HG       GLN 145 -16.268 -10.230  -0.475
 1150   1HE2  GLN 145          1HE2      GLN 145 -15.403  -7.797  -2.561
 1151   2HE2  GLN 145          2HE2      GLN 145 -16.917  -7.517  -3.329
 1152    H    ILE 146           H        ILE 146 -12.741  -8.874   0.791
 1153    HA   ILE 146           HA       ILE 146 -13.772 -10.068   3.160
 1154    HB   ILE 146           HB       ILE 146 -10.959  -9.179   2.730
 1155   1HG1  ILE 146          2HG1      ILE 146 -11.098 -11.823   1.836
 1156   2HG1  ILE 146          1HG1      ILE 146 -12.452 -11.003   1.064
 1157   1HG2  ILE 146          1HG2      ILE 146 -10.535 -10.406   4.537
 1158   2HG2  ILE 146          2HG2      ILE 146 -11.262 -11.825   3.782
 1159   3HG2  ILE 146          3HG2      ILE 146 -12.265 -10.701   4.698
 1160   1HD1  ILE 146          1HD1      ILE 146 -10.959 -10.387  -0.467
 1161   2HD1  ILE 146          2HD1      ILE 146  -9.590 -10.760   0.580
 1162   3HD1  ILE 146          3HD1      ILE 146 -10.423  -9.205   0.731
 1163    H    LEU 147           H        LEU 147 -12.812  -6.910   2.202
 1164    HA   LEU 147           HA       LEU 147 -12.174  -6.026   4.881
 1165   1HB   LEU 147          2HB       LEU 147 -11.072  -4.471   3.732
 1166   2HB   LEU 147          1HB       LEU 147 -11.723  -5.124   2.237
 1167    HG   LEU 147           HG       LEU 147 -13.767  -3.711   2.697
 1168   1HD1  LEU 147          1HD1      LEU 147 -12.301  -3.150   5.042
 1169   2HD1  LEU 147          2HD1      LEU 147 -13.868  -2.506   4.555
 1170   3HD1  LEU 147          3HD1      LEU 147 -12.386  -1.658   4.107
 1171   1HD2  LEU 147          1HD2      LEU 147 -11.432  -1.935   2.237
 1172   2HD2  LEU 147          2HD2      LEU 147 -12.972  -2.024   1.385
 1173   3HD2  LEU 147          3HD2      LEU 147 -11.742  -3.254   1.111
 1174    H    HIS 148           H        HIS 148 -14.682  -5.187   2.519
 1175    HA   HIS 148           HA       HIS 148 -16.199  -3.459   3.976
 1176   1HB   HIS 148          2HB       HIS 148 -16.487  -4.170   1.565
 1177   2HB   HIS 148          1HB       HIS 148 -17.368  -5.568   2.165
 1178    HD1  HIS 148           1HD      HIS 148 -19.141  -4.138   0.481
 1179    HD2  HIS 148           2HD      HIS 148 -18.488  -2.772   4.352
 1180    HE1  HIS 148           1HE      HIS 148 -21.113  -2.675   1.022
 1181    HE2  HIS 148           2HE      HIS 148 -20.713  -1.886   3.380
 1182    H    THR 149           H        THR 149 -16.239  -6.968   4.050
 1183    HA   THR 149           HA       THR 149 -18.406  -6.970   5.987
 1184    HB   THR 149           HB       THR 149 -18.252  -9.417   5.832
 1185    HG1  THR 149           1HG      THR 149 -16.198  -9.019   3.932
 1186   1HG2  THR 149          1HG2      THR 149 -19.468  -8.059   4.066
 1187   2HG2  THR 149          2HG2      THR 149 -19.020  -9.714   3.646
 1188   3HG2  THR 149          3HG2      THR 149 -18.068  -8.361   3.036
 1189    H    ARG 150           H        ARG 150 -14.907  -7.453   5.944
 1190    HA   ARG 150           HA       ARG 150 -15.060  -7.993   8.836
 1191   1HB   ARG 150          2HB       ARG 150 -12.841  -8.799   6.967
 1192   2HB   ARG 150          1HB       ARG 150 -13.014  -9.251   8.658
 1193   1HG   ARG 150          2HG       ARG 150 -14.858 -10.048   6.414
 1194   2HG   ARG 150          1HG       ARG 150 -13.653 -11.077   7.188
 1195   1HD   ARG 150          2HD       ARG 150 -16.005  -9.809   8.589
 1196   2HD   ARG 150          1HD       ARG 150 -15.949 -11.474   8.015
 1197    HE   ARG 150           HE       ARG 150 -14.899 -10.511  10.440
 1198   1HH1  ARG 150          1HH1      ARG 150 -14.106 -12.685   7.830
 1199   2HH1  ARG 150          2HH1      ARG 150 -13.108 -13.702   8.813
 1200   1HH2  ARG 150          1HH2      ARG 150 -13.590 -11.852  11.737
 1201   2HH2  ARG 150          2HH2      ARG 150 -12.817 -13.232  11.032
 1202    H    ALA 151           H        ALA 151 -14.705  -5.190   7.460
 1203    HA   ALA 151           HA       ALA 151 -12.488  -4.498   9.221
 1204   1HB   ALA 151          1HB       ALA 151 -12.072  -3.031   6.823
 1205   2HB   ALA 151          2HB       ALA 151 -12.126  -4.750   6.431
 1206   3HB   ALA 151          3HB       ALA 151 -10.983  -4.154   7.635
 1207    H    PHE 152           H        PHE 152 -13.585  -2.464   6.621
 1208    HA   PHE 152           HA       PHE 152 -15.015  -0.835   8.614
 1209   1HB   PHE 152          2HB       PHE 152 -13.289  -0.002   6.294
 1210   2HB   PHE 152          1HB       PHE 152 -14.375   1.089   7.127
 1211    HD1  PHE 152           1HD      PHE 152 -13.385   2.466   8.690
 1212    HD2  PHE 152           2HD      PHE 152 -11.784  -1.424   8.046
 1213    HE1  PHE 152           1HE      PHE 152 -11.630   2.917  10.353
 1214    HE2  PHE 152           2HE      PHE 152 -10.028  -0.981   9.709
 1215    HZ   PHE 152           HZ       PHE 152  -9.962   1.227  10.870
 1216    H    ASP 153           H        ASP 153 -15.881   1.069   6.663
 1217    HA   ASP 153           HA       ASP 153 -17.543  -0.393   4.796
 1218   1HB   ASP 153          2HB       ASP 153 -18.861  -0.419   6.892
 1219   2HB   ASP 153          1HB       ASP 153 -18.776   1.338   6.961
 1220    H    LYS 154           H        LYS 154 -16.813   0.707   3.066
 1221    HA   LYS 154           HA       LYS 154 -16.030   2.427   1.762
 1222   1HB   LYS 154          2HB       LYS 154 -18.507   2.065   1.386
 1223   2HB   LYS 154          1HB       LYS 154 -18.782   3.497   2.366
 1224   1HG   LYS 154          2HG       LYS 154 -16.954   3.634   0.010
 1225   2HG   LYS 154          1HG       LYS 154 -18.699   3.687  -0.222
 1226   1HD   LYS 154          2HD       LYS 154 -17.106   5.555   1.534
 1227   2HD   LYS 154          1HD       LYS 154 -17.701   5.933  -0.084
 1228   1HE   LYS 154          2HE       LYS 154 -19.395   5.255   2.321
 1229   2HE   LYS 154          1HE       LYS 154 -19.159   6.866   1.641
 1230   1HZ   LYS 154          1HZ       LYS 154 -20.049   5.760  -0.505
 1231   2HZ   LYS 154          2HZ       LYS 154 -21.141   6.218   0.703
 1232   3HZ   LYS 154          3HZ       LYS 154 -20.683   4.598   0.549
 1233    H    LEU 155           H        LEU 155 -14.388   3.495   2.818
 1234    HA   LEU 155           HA       LEU 155 -14.840   5.457   4.839
 1235   1HB   LEU 155          2HB       LEU 155 -12.410   5.057   3.089
 1236   2HB   LEU 155          1HB       LEU 155 -12.471   6.024   4.546
 1237    HG   LEU 155           HG       LEU 155 -12.653   3.021   4.329
 1238   1HD1  LEU 155          1HD1      LEU 155 -10.764   4.110   6.204
 1239   2HD1  LEU 155          2HD1      LEU 155 -10.497   4.763   4.589
 1240   3HD1  LEU 155          3HD1      LEU 155 -10.500   3.018   4.846
 1241   1HD2  LEU 155          1HD2      LEU 155 -12.653   3.272   6.919
 1242   2HD2  LEU 155          2HD2      LEU 155 -14.173   3.401   6.033
 1243   3HD2  LEU 155          3HD2      LEU 155 -13.348   4.858   6.585
 1244    H    ASN 156           H        ASN 156 -13.069   7.521   3.895
 1245    HA   ASN 156           HA       ASN 156 -14.751   8.761   1.813
 1246   1HB   ASN 156          2HB       ASN 156 -13.404  10.061   4.194
 1247   2HB   ASN 156          1HB       ASN 156 -14.178  10.950   2.889
 1248   1HD2  ASN 156          1HD2      ASN 156 -16.032   8.331   3.093
 1249   2HD2  ASN 156          2HD2      ASN 156 -17.193   8.848   4.260
 1250    H    LYS 157           H        LYS 157 -13.669   9.101  -0.024
 1251    HA   LYS 157           HA       LYS 157 -10.961   8.614  -0.379
 1252   1HB   LYS 157          2HB       LYS 157 -12.829  10.324  -2.026
 1253   2HB   LYS 157          1HB       LYS 157 -11.197   9.907  -2.524
 1254   1HG   LYS 157          2HG       LYS 157 -12.641   8.402  -3.628
 1255   2HG   LYS 157          1HG       LYS 157 -11.865   7.491  -2.333
 1256   1HD   LYS 157          2HD       LYS 157 -13.857   7.795  -0.934
 1257   2HD   LYS 157          1HD       LYS 157 -14.634   8.687  -2.245
 1258   1HE   LYS 157          2HE       LYS 157 -14.485   6.698  -3.672
 1259   2HE   LYS 157          1HE       LYS 157 -13.728   5.811  -2.348
 1260   1HZ   LYS 157          1HZ       LYS 157 -16.088   6.920  -1.370
 1261   2HZ   LYS 157          2HZ       LYS 157 -15.741   5.285  -1.634
 1262   3HZ   LYS 157          3HZ       LYS 157 -16.464   6.203  -2.857
 1263    H    TRP 158           H        TRP 158  -9.658   9.597   1.063
 1264    HA   TRP 158           HA       TRP 158  -8.537  11.228   2.183
 1265   1HB   TRP 158          2HB       TRP 158  -7.446  11.259  -0.018
 1266   2HB   TRP 158          1HB       TRP 158  -8.606  12.455  -0.585
 1267    HD1  TRP 158           HD       TRP 158  -6.593  12.498   2.734
 1268    HE1  TRP 158           1HE      TRP 158  -5.249  14.691   2.813
 1269    HE3  TRP 158           3HE      TRP 158  -7.804  14.357  -1.871
 1270    HZ2  TRP 158           2HZ      TRP 158  -4.767  16.916   1.142
 1271    HZ3  TRP 158           3HZ      TRP 158  -6.861  16.525  -2.555
 1272    HH2  TRP 158           HH       TRP 158  -5.375  17.777  -1.078
  Start of MODEL   16
    1   1H    THR   1          1HT       THR   1   3.840  -9.255 -14.889
    2   2H    THR   1          2HT       THR   1   3.096 -10.570 -15.648
    3   3H    THR   1          3HT       THR   1   4.482 -10.810 -14.709
    4    HA   THR   1           HA       THR   1   1.823 -10.930 -13.904
    5    HB   THR   1           HB       THR   1   4.428 -10.974 -12.359
    6    HG1  THR   1           1HG      THR   1   3.223 -12.731 -14.072
    7   1HG2  THR   1          1HG2      THR   1   2.068 -10.875 -11.140
    8   2HG2  THR   1          2HG2      THR   1   3.406 -11.863 -10.555
    9   3HG2  THR   1          3HG2      THR   1   2.117 -12.600 -11.505
   10    H    VAL   2           H        VAL   2   0.514  -9.301 -13.383
   11    HA   VAL   2           HA       VAL   2   1.503  -6.751 -12.513
   12    HB   VAL   2           HB       VAL   2  -1.345  -7.757 -12.607
   13   1HG1  VAL   2          1HG1      VAL   2  -0.125  -5.075 -12.095
   14   2HG1  VAL   2          2HG1      VAL   2  -1.442  -5.887 -11.249
   15   3HG1  VAL   2          3HG1      VAL   2  -1.713  -5.198 -12.851
   16   1HG2  VAL   2          1HG2      VAL   2  -0.997  -5.968 -14.670
   17   2HG2  VAL   2          2HG2      VAL   2  -1.050  -7.724 -14.820
   18   3HG2  VAL   2          3HG2      VAL   2   0.502  -6.897 -14.685
   19    H    ALA   3           H        ALA   3   2.364  -6.670 -10.523
   20    HA   ALA   3           HA       ALA   3   1.263  -8.190  -8.331
   21   1HB   ALA   3          1HB       ALA   3   3.571  -8.070  -8.205
   22   2HB   ALA   3          2HB       ALA   3   3.063  -6.841  -7.048
   23   3HB   ALA   3          3HB       ALA   3   3.610  -6.366  -8.656
   24    H    TYR   4           H        TYR   4   0.051  -7.478  -6.669
   25    HA   TYR   4           HA       TYR   4  -1.129  -4.821  -6.928
   26   1HB   TYR   4          2HB       TYR   4  -1.867  -7.076  -5.047
   27   2HB   TYR   4          1HB       TYR   4  -2.803  -5.614  -5.344
   28    HD1  TYR   4           1HD      TYR   4  -1.270  -8.377  -7.362
   29    HD2  TYR   4           2HD      TYR   4  -4.635  -5.857  -6.713
   30    HE1  TYR   4           1HE      TYR   4  -2.460  -9.510  -9.187
   31    HE2  TYR   4           2HE      TYR   4  -5.834  -6.986  -8.537
   32    HH   TYR   4           HH       TYR   4  -4.257  -9.243 -10.656
   33    H    ILE   5           H        ILE   5  -0.134  -3.224  -5.940
   34    HA   ILE   5           HA       ILE   5   1.178  -3.732  -3.348
   35    HB   ILE   5           HB       ILE   5   2.249  -1.360  -4.283
   36   1HG1  ILE   5          2HG1      ILE   5   2.206  -3.272  -6.614
   37   2HG1  ILE   5          1HG1      ILE   5   1.040  -1.965  -6.457
   38   1HG2  ILE   5          1HG2      ILE   5   4.270  -2.543  -4.421
   39   2HG2  ILE   5          2HG2      ILE   5   3.464  -4.044  -4.873
   40   3HG2  ILE   5          3HG2      ILE   5   3.317  -3.424  -3.228
   41   1HD1  ILE   5          1HD1      ILE   5   4.021  -1.601  -6.527
   42   2HD1  ILE   5          2HD1      ILE   5   2.795  -0.334  -6.539
   43   3HD1  ILE   5          3HD1      ILE   5   2.948  -1.424  -7.915
   44    H    ALA   6           H        ALA   6   0.640  -2.530  -1.632
   45    HA   ALA   6           HA       ALA   6  -1.340  -0.389  -2.022
   46   1HB   ALA   6          1HB       ALA   6  -2.196  -2.201  -0.674
   47   2HB   ALA   6          2HB       ALA   6  -1.960  -0.778   0.340
   48   3HB   ALA   6          3HB       ALA   6  -0.799  -2.103   0.399
   49    H    ILE   7           H        ILE   7  -0.792   1.643  -1.530
   50    HA   ILE   7           HA       ILE   7   1.797   2.069  -0.202
   51    HB   ILE   7           HB       ILE   7   1.557   2.980  -2.484
   52   1HG1  ILE   7          2HG1      ILE   7   1.737   5.164  -0.397
   53   2HG1  ILE   7          1HG1      ILE   7   3.044   4.049  -0.790
   54   1HG2  ILE   7          1HG2      ILE   7  -0.029   4.520  -3.121
   55   2HG2  ILE   7          2HG2      ILE   7  -0.329   5.055  -1.468
   56   3HG2  ILE   7          3HG2      ILE   7  -0.956   3.501  -2.019
   57   1HD1  ILE   7          1HD1      ILE   7   3.374   6.165  -1.903
   58   2HD1  ILE   7          2HD1      ILE   7   1.783   6.044  -2.657
   59   3HD1  ILE   7          3HD1      ILE   7   3.053   4.898  -3.091
   60    H    GLY   8           H        GLY   8   1.948   3.196   1.679
   61   1HA   GLY   8          2HA       GLY   8  -0.367   4.727   2.597
   62   2HA   GLY   8          1HA       GLY   8   0.123   3.357   3.577
   63    H    SER   9           H        SER   9   0.296   6.574   3.351
   64    HA   SER   9           HA       SER   9   2.898   6.741   4.733
   65   1HB   SER   9          2HB       SER   9   2.859   9.169   3.994
   66   2HB   SER   9          1HB       SER   9   3.055   7.993   2.694
   67    HG   SER   9           HG       SER   9   0.885   8.246   2.184
   68    H    ASN  10           H        ASN  10   2.976   8.034   6.646
   69    HA   ASN  10           HA       ASN  10   0.334   8.835   7.680
   70   1HB   ASN  10          2HB       ASN  10   1.080   8.037   9.929
   71   2HB   ASN  10          1HB       ASN  10   0.874   6.755   8.740
   72   1HD2  ASN  10          1HD2      ASN  10   2.784   7.768  11.153
   73   2HD2  ASN  10          2HD2      ASN  10   4.285   7.057  10.678
   74    H    LEU  11           H        LEU  11   0.495  10.994   7.529
   75    HA   LEU  11           HA       LEU  11   2.084  12.390   9.461
   76   1HB   LEU  11          2HB       LEU  11   2.713  12.663   6.528
   77   2HB   LEU  11          1HB       LEU  11   3.066  13.942   7.671
   78    HG   LEU  11           HG       LEU  11   4.204  11.148   7.795
   79   1HD1  LEU  11          1HD1      LEU  11   5.530  13.731   6.986
   80   2HD1  LEU  11          2HD1      LEU  11   5.008  12.471   5.869
   81   3HD1  LEU  11          3HD1      LEU  11   6.274  12.133   7.050
   82   1HD2  LEU  11          1HD2      LEU  11   5.555  11.913   9.579
   83   2HD2  LEU  11          2HD2      LEU  11   3.905  12.406   9.966
   84   3HD2  LEU  11          3HD2      LEU  11   5.054  13.587   9.336
   85    H    ALA  12           H        ALA  12   1.848  14.929   8.829
   86    HA   ALA  12           HA       ALA  12  -1.001  15.394   8.768
   87   1HB   ALA  12          1HB       ALA  12  -0.457  17.246   9.889
   88   2HB   ALA  12          2HB       ALA  12   0.541  17.812   8.548
   89   3HB   ALA  12          3HB       ALA  12   1.237  16.766   9.786
   90    H    SER  13           H        SER  13   1.726  15.564   6.690
   91    HA   SER  13           HA       SER  13   0.015  16.158   4.390
   92   1HB   SER  13          2HB       SER  13   1.778  17.614   3.432
   93   2HB   SER  13          1HB       SER  13   1.147  18.274   4.941
   94    HG   SER  13           HG       SER  13   3.012  17.903   5.904
   95    HA   PRO  14           HA       PRO  14   2.811  12.355   4.209
   96   1HB   PRO  14          2HB       PRO  14   0.284  11.164   3.236
   97   2HB   PRO  14          1HB       PRO  14   1.434  10.555   4.430
   98   1HG   PRO  14          2HG       PRO  14  -0.924  11.531   5.185
   99   2HG   PRO  14          1HG       PRO  14   0.538  11.834   6.140
  100   1HD   PRO  14          2HD       PRO  14  -0.884  13.646   4.226
  101   2HD   PRO  14          1HD       PRO  14  -0.166  14.019   5.808
  102    H    LEU  15           H        LEU  15   1.221  14.339   2.010
  103    HA   LEU  15           HA       LEU  15   1.382  12.821  -0.345
  104   1HB   LEU  15          2HB       LEU  15   1.551  15.081  -1.505
  105   2HB   LEU  15          1HB       LEU  15   0.119  14.767  -0.548
  106    HG   LEU  15           HG       LEU  15   2.412  16.269   0.662
  107   1HD1  LEU  15          1HD1      LEU  15   1.972  18.200  -0.416
  108   2HD1  LEU  15          2HD1      LEU  15   0.246  17.857  -0.541
  109   3HD1  LEU  15          3HD1      LEU  15   1.375  17.128  -1.684
  110   1HD2  LEU  15          1HD2      LEU  15   0.982  16.541   2.343
  111   2HD2  LEU  15          2HD2      LEU  15  -0.120  15.433   1.523
  112   3HD2  LEU  15          3HD2      LEU  15  -0.253  17.172   1.254
  113    H    GLU  16           H        GLU  16   3.828  13.894   1.663
  114    HA   GLU  16           HA       GLU  16   5.863  14.243  -0.356
  115   1HB   GLU  16          2HB       GLU  16   5.847  14.207   2.644
  116   2HB   GLU  16          1HB       GLU  16   7.366  14.067   1.773
  117   1HG   GLU  16          2HG       GLU  16   6.928  16.358   2.447
  118   2HG   GLU  16          1HG       GLU  16   6.974  16.201   0.693
  119    H    GLN  17           H        GLN  17   5.180  11.824   2.180
  120    HA   GLN  17           HA       GLN  17   7.203  10.028   1.412
  121   1HB   GLN  17          2HB       GLN  17   4.598   9.528   2.863
  122   2HB   GLN  17          1HB       GLN  17   5.889   8.346   2.706
  123   1HG   GLN  17          2HG       GLN  17   6.076  11.009   4.091
  124   2HG   GLN  17          1HG       GLN  17   5.955   9.430   4.869
  125   1HE2  GLN  17          1HE2      GLN  17   7.775   8.539   5.474
  126   2HE2  GLN  17          2HE2      GLN  17   9.345   8.887   4.844
  127    H    VAL  18           H        VAL  18   3.843  10.364   0.429
  128    HA   VAL  18           HA       VAL  18   3.553   8.001  -1.018
  129    HB   VAL  18           HB       VAL  18   2.318  10.694  -1.629
  130   1HG1  VAL  18          1HG1      VAL  18   0.662   9.523  -2.892
  131   2HG1  VAL  18          2HG1      VAL  18   1.333   7.960  -2.427
  132   3HG1  VAL  18          3HG1      VAL  18   2.243   9.027  -3.496
  133   1HG2  VAL  18          1HG2      VAL  18   0.537   8.812  -0.440
  134   2HG2  VAL  18          2HG2      VAL  18   1.041  10.393   0.157
  135   3HG2  VAL  18          3HG2      VAL  18   1.977   8.956   0.566
  136    H    ASN  19           H        ASN  19   4.460  11.227  -2.271
  137    HA   ASN  19           HA       ASN  19   4.980  10.454  -4.894
  138   1HB   ASN  19          2HB       ASN  19   6.327  12.631  -3.280
  139   2HB   ASN  19          1HB       ASN  19   6.392  12.482  -5.032
  140   1HD2  ASN  19          1HD2      ASN  19   3.402  11.444  -4.163
  141   2HD2  ASN  19          2HD2      ASN  19   2.526  12.923  -4.318
  142    H    ALA  20           H        ALA  20   7.029  10.346  -2.048
  143    HA   ALA  20           HA       ALA  20   9.490   9.781  -3.239
  144   1HB   ALA  20          1HB       ALA  20   9.334   8.328  -0.818
  145   2HB   ALA  20          2HB       ALA  20   8.403   9.811  -0.608
  146   3HB   ALA  20          3HB       ALA  20  10.093   9.894  -1.106
  147    H    ALA  21           H        ALA  21   7.203   7.485  -1.784
  148    HA   ALA  21           HA       ALA  21   8.464   5.152  -2.728
  149   1HB   ALA  21          1HB       ALA  21   5.716   4.616  -2.473
  150   2HB   ALA  21          2HB       ALA  21   6.097   5.842  -1.263
  151   3HB   ALA  21          3HB       ALA  21   6.988   4.321  -1.287
  152    H    LEU  22           H        LEU  22   6.283   7.419  -4.155
  153    HA   LEU  22           HA       LEU  22   5.350   5.803  -6.294
  154   1HB   LEU  22          2HB       LEU  22   5.379   8.741  -5.716
  155   2HB   LEU  22          1HB       LEU  22   4.902   8.169  -7.301
  156    HG   LEU  22           HG       LEU  22   3.565   7.484  -4.682
  157   1HD1  LEU  22          1HD1      LEU  22   3.293   9.806  -5.819
  158   2HD1  LEU  22          2HD1      LEU  22   1.869   8.935  -5.253
  159   3HD1  LEU  22          3HD1      LEU  22   2.286   8.921  -6.966
  160   1HD2  LEU  22          1HD2      LEU  22   3.136   5.581  -5.875
  161   2HD2  LEU  22          2HD2      LEU  22   3.276   6.394  -7.435
  162   3HD2  LEU  22          3HD2      LEU  22   1.823   6.605  -6.457
  163    H    LYS  23           H        LYS  23   8.222   7.672  -5.737
  164    HA   LYS  23           HA       LYS  23   9.017   7.923  -8.458
  165   1HB   LYS  23          2HB       LYS  23  10.621   8.030  -5.898
  166   2HB   LYS  23          1HB       LYS  23  11.289   8.373  -7.488
  167   1HG   LYS  23          2HG       LYS  23   9.681  10.220  -7.739
  168   2HG   LYS  23          1HG       LYS  23   9.087   9.895  -6.109
  169   1HD   LYS  23          2HD       LYS  23  11.295  10.371  -5.195
  170   2HD   LYS  23          1HD       LYS  23  11.922  10.646  -6.822
  171   1HE   LYS  23          2HE       LYS  23   9.756  12.251  -5.466
  172   2HE   LYS  23          1HE       LYS  23  11.433  12.753  -5.676
  173   1HZ   LYS  23          1HZ       LYS  23  11.151  13.067  -7.918
  174   2HZ   LYS  23          2HZ       LYS  23   9.632  13.537  -7.343
  175   3HZ   LYS  23          3HZ       LYS  23   9.838  12.007  -8.032
  176    H    ALA  24           H        ALA  24  10.061   5.720  -5.846
  177    HA   ALA  24           HA       ALA  24  11.666   4.115  -7.542
  178   1HB   ALA  24          1HB       ALA  24  10.971   2.495  -5.423
  179   2HB   ALA  24          2HB       ALA  24  10.846   4.122  -4.753
  180   3HB   ALA  24          3HB       ALA  24  12.356   3.584  -5.489
  181    H    LEU  25           H        LEU  25   8.266   4.161  -6.805
  182    HA   LEU  25           HA       LEU  25   7.794   1.488  -7.805
  183   1HB   LEU  25          2HB       LEU  25   6.403   2.809  -6.025
  184   2HB   LEU  25          1HB       LEU  25   5.640   3.537  -7.431
  185    HG   LEU  25           HG       LEU  25   4.953   1.309  -8.198
  186   1HD1  LEU  25          1HD1      LEU  25   6.901   0.229  -6.852
  187   2HD1  LEU  25          2HD1      LEU  25   5.380  -0.642  -7.043
  188   3HD1  LEU  25          3HD1      LEU  25   5.728   0.203  -5.535
  189   1HD2  LEU  25          1HD2      LEU  25   3.635   0.955  -5.807
  190   2HD2  LEU  25          2HD2      LEU  25   3.127   2.007  -7.127
  191   3HD2  LEU  25          3HD2      LEU  25   4.066   2.666  -5.787
  192    H    GLY  26           H        GLY  26   7.868   4.727  -9.051
  193   1HA   GLY  26          2HA       GLY  26   6.296   4.219 -11.391
  194   2HA   GLY  26          1HA       GLY  26   7.359   5.600 -11.124
  195    H    ASP  27           H        ASP  27   9.661   4.088 -10.513
  196    HA   ASP  27           HA       ASP  27  10.228   2.733 -13.053
  197   1HB   ASP  27          2HB       ASP  27  11.852   4.859 -11.662
  198   2HB   ASP  27          1HB       ASP  27  12.524   3.786 -12.874
  199    H    ILE  28           H        ILE  28  10.317   0.693 -12.290
  200    HA   ILE  28           HA       ILE  28  12.143   0.139 -10.042
  201    HB   ILE  28           HB       ILE  28  10.058  -1.777 -11.035
  202   1HG1  ILE  28          2HG1      ILE  28   9.702   0.408  -8.972
  203   2HG1  ILE  28          1HG1      ILE  28   8.853   0.277 -10.505
  204   1HG2  ILE  28          1HG2      ILE  28  10.192  -2.380  -8.517
  205   2HG2  ILE  28          2HG2      ILE  28  11.713  -1.489  -8.568
  206   3HG2  ILE  28          3HG2      ILE  28  11.481  -2.898  -9.604
  207   1HD1  ILE  28          1HD1      ILE  28   7.697  -1.689  -9.741
  208   2HD1  ILE  28          2HD1      ILE  28   7.487  -0.386  -8.572
  209   3HD1  ILE  28          3HD1      ILE  28   8.627  -1.690  -8.242
  210    HA   PRO  29           HA       PRO  29  15.275  -1.890 -12.427
  211   1HB   PRO  29          2HB       PRO  29  14.188  -4.240 -10.901
  212   2HB   PRO  29          1HB       PRO  29  15.859  -3.855 -11.303
  213   1HG   PRO  29          2HG       PRO  29  14.801  -3.243  -8.904
  214   2HG   PRO  29          1HG       PRO  29  16.023  -2.225  -9.684
  215   1HD   PRO  29          2HD       PRO  29  13.214  -1.649  -9.174
  216   2HD   PRO  29          1HD       PRO  29  14.494  -0.555  -9.733
  217    H    GLU  30           H        GLU  30  12.220  -3.745 -12.081
  218    HA   GLU  30           HA       GLU  30  12.183  -4.125 -14.975
  219   1HB   GLU  30          2HB       GLU  30  12.161  -6.393 -12.987
  220   2HB   GLU  30          1HB       GLU  30  11.676  -6.568 -14.666
  221   1HG   GLU  30          2HG       GLU  30  14.394  -5.656 -13.754
  222   2HG   GLU  30          1HG       GLU  30  13.985  -7.307 -14.219
  223    H    SER  31           H        SER  31  10.517  -2.744 -12.822
  224    HA   SER  31           HA       SER  31   7.957  -4.023 -13.508
  225   1HB   SER  31          2HB       SER  31   8.498  -4.180 -11.102
  226   2HB   SER  31          1HB       SER  31   8.598  -2.422 -11.023
  227    HG   SER  31           HG       SER  31   6.551  -3.278 -10.371
  228    H    HIS  32           H        HIS  32   6.140  -2.168 -12.913
  229    HA   HIS  32           HA       HIS  32   6.722   0.492 -13.627
  230   1HB   HIS  32          2HB       HIS  32   7.151  -0.615 -15.834
  231   2HB   HIS  32          1HB       HIS  32   5.478  -1.151 -15.836
  232    HD1  HIS  32           1HD      HIS  32   5.820   0.343 -18.192
  233    HD2  HIS  32           2HD      HIS  32   5.386   2.375 -14.593
  234    HE1  HIS  32           1HE      HIS  32   5.123   2.676 -18.816
  235    HE2  HIS  32           2HE      HIS  32   4.886   3.895 -16.624
  236    H    ILE  33           H        ILE  33   4.989   1.770 -13.169
  237    HA   ILE  33           HA       ILE  33   2.744   0.548 -11.894
  238    HB   ILE  33           HB       ILE  33   3.430   3.415 -12.450
  239   1HG1  ILE  33          2HG1      ILE  33   3.512   1.697  -9.963
  240   2HG1  ILE  33          1HG1      ILE  33   4.902   2.246 -10.893
  241   1HG2  ILE  33          1HG2      ILE  33   1.624   4.067 -10.996
  242   2HG2  ILE  33          2HG2      ILE  33   1.211   2.381 -10.688
  243   3HG2  ILE  33          3HG2      ILE  33   0.968   3.068 -12.293
  244   1HD1  ILE  33          1HD1      ILE  33   4.104   4.599 -10.348
  245   2HD1  ILE  33          2HD1      ILE  33   4.826   3.647  -9.052
  246   3HD1  ILE  33          3HD1      ILE  33   3.072   3.829  -9.142
  247    H    LEU  34           H        LEU  34   0.549   0.752 -12.407
  248    HA   LEU  34           HA       LEU  34  -0.073   1.553 -15.168
  249   1HB   LEU  34          2HB       LEU  34  -0.987  -0.954 -13.758
  250   2HB   LEU  34          1HB       LEU  34  -1.649  -0.382 -15.280
  251    HG   LEU  34           HG       LEU  34   1.226  -1.196 -14.827
  252   1HD1  LEU  34          1HD1      LEU  34  -0.682  -2.964 -14.820
  253   2HD1  LEU  34          2HD1      LEU  34   0.763  -3.235 -15.796
  254   3HD1  LEU  34          3HD1      LEU  34  -0.719  -2.657 -16.557
  255   1HD2  LEU  34          1HD2      LEU  34  -0.259  -0.066 -17.158
  256   2HD2  LEU  34          2HD2      LEU  34   1.057  -1.208 -17.434
  257   3HD2  LEU  34          3HD2      LEU  34   1.363   0.301 -16.571
  258    H    THR  35           H        THR  35  -1.753   0.419 -12.210
  259    HA   THR  35           HA       THR  35  -3.645   2.658 -12.556
  260    HB   THR  35           HB       THR  35  -5.260   1.207 -11.260
  261    HG1  THR  35           1HG      THR  35  -3.112  -0.560 -11.532
  262   1HG2  THR  35          1HG2      THR  35  -4.292   0.476 -13.982
  263   2HG2  THR  35          2HG2      THR  35  -5.821   1.202 -13.485
  264   3HG2  THR  35          3HG2      THR  35  -5.522  -0.511 -13.193
  265    H    VAL  36           H        VAL  36  -3.820   4.094 -10.947
  266    HA   VAL  36           HA       VAL  36  -3.324   3.387  -8.214
  267    HB   VAL  36           HB       VAL  36  -1.018   3.653  -8.879
  268   1HG1  VAL  36          1HG1      VAL  36  -1.607   6.482  -9.708
  269   2HG1  VAL  36          2HG1      VAL  36  -1.563   5.140 -10.852
  270   3HG1  VAL  36          3HG1      VAL  36  -0.119   5.564  -9.930
  271   1HG2  VAL  36          1HG2      VAL  36  -2.309   5.503  -7.012
  272   2HG2  VAL  36          2HG2      VAL  36  -0.694   5.994  -7.524
  273   3HG2  VAL  36          3HG2      VAL  36  -0.939   4.418  -6.773
  274    H    SER  37           H        SER  37  -5.049   4.341  -7.317
  275    HA   SER  37           HA       SER  37  -5.275   7.192  -7.349
  276   1HB   SER  37          2HB       SER  37  -6.314   6.711  -9.521
  277   2HB   SER  37          1HB       SER  37  -7.449   5.610  -8.740
  278    HG   SER  37           HG       SER  37  -7.596   8.276  -9.009
  279    H    SER  38           H        SER  38  -7.499   7.827  -6.324
  280    HA   SER  38           HA       SER  38  -8.900   7.803  -4.558
  281   1HB   SER  38          2HB       SER  38  -9.717   5.656  -5.433
  282   2HB   SER  38          1HB       SER  38  -8.453   4.816  -4.538
  283    HG   SER  38           HG       SER  38  -9.412   5.401  -2.634
  284    H    PHE  39           H        PHE  39  -6.780   8.859  -3.765
  285    HA   PHE  39           HA       PHE  39  -5.639   7.367  -1.508
  286   1HB   PHE  39          2HB       PHE  39  -4.005   9.204  -1.366
  287   2HB   PHE  39          1HB       PHE  39  -4.035   8.515  -2.982
  288    HD1  PHE  39           1HD      PHE  39  -4.768   9.787  -4.863
  289    HD2  PHE  39           2HD      PHE  39  -4.914  11.430  -0.942
  290    HE1  PHE  39           1HE      PHE  39  -5.121  12.028  -5.820
  291    HE2  PHE  39           2HE      PHE  39  -5.275  13.674  -1.891
  292    HZ   PHE  39           HZ       PHE  39  -5.378  13.973  -4.334
  293    H    TYR  40           H        TYR  40  -6.056   8.025   0.648
  294    HA   TYR  40           HA       TYR  40  -7.463  10.507   1.030
  295   1HB   TYR  40          2HB       TYR  40  -9.451   9.371   2.043
  296   2HB   TYR  40          1HB       TYR  40  -9.310   9.324   0.298
  297    HD1  TYR  40           1HD      TYR  40  -7.302   7.158   2.396
  298    HD2  TYR  40           2HD      TYR  40 -10.887   7.426   0.127
  299    HE1  TYR  40           1HE      TYR  40  -7.495   4.724   2.426
  300    HE2  TYR  40           2HE      TYR  40 -11.082   4.982   0.151
  301    HH   TYR  40           HH       TYR  40  -8.590   2.974   0.911
  302    H    ARG  41           H        ARG  41  -8.765  10.197   3.309
  303    HA   ARG  41           HA       ARG  41  -6.585  10.090   5.218
  304   1HB   ARG  41          2HB       ARG  41  -8.182  11.965   5.205
  305   2HB   ARG  41          1HB       ARG  41  -9.485  10.850   5.586
  306   1HG   ARG  41          2HG       ARG  41  -8.304  10.295   7.705
  307   2HG   ARG  41          1HG       ARG  41  -7.137  11.565   7.327
  308   1HD   ARG  41          2HD       ARG  41  -8.824  12.415   8.841
  309   2HD   ARG  41          1HD       ARG  41  -8.969  13.204   7.271
  310    HE   ARG  41           HE       ARG  41 -10.688  11.007   7.287
  311   1HH1  ARG  41          1HH1      ARG  41 -10.330  14.077   8.898
  312   2HH1  ARG  41          2HH1      ARG  41 -12.028  14.273   9.179
  313   1HH2  ARG  41          1HH2      ARG  41 -12.924  11.257   7.651
  314   2HH2  ARG  41          2HH2      ARG  41 -13.502  12.670   8.470
  315    H    THR  42           H        THR  42  -6.711   8.997   7.239
  316    HA   THR  42           HA       THR  42  -8.654   6.899   7.622
  317    HB   THR  42           HB       THR  42  -5.744   6.231   7.128
  318    HG1  THR  42           1HG      THR  42  -7.019   6.482   5.243
  319   1HG2  THR  42          1HG2      THR  42  -7.925   4.256   7.702
  320   2HG2  THR  42          2HG2      THR  42  -6.865   4.894   8.960
  321   3HG2  THR  42          3HG2      THR  42  -6.185   3.984   7.612
  322    HA   PRO  43           HA       PRO  43  -7.497   8.044  11.765
  323   1HB   PRO  43          2HB       PRO  43  -9.056   6.337  13.133
  324   2HB   PRO  43          1HB       PRO  43  -9.735   7.696  12.229
  325   1HG   PRO  43          2HG       PRO  43  -9.586   4.805  11.479
  326   2HG   PRO  43          1HG       PRO  43 -10.916   5.957  11.252
  327   1HD   PRO  43          2HD       PRO  43  -9.137   5.240   9.283
  328   2HD   PRO  43          1HD       PRO  43 -10.032   6.771   9.309
  329    HA   PRO  44           HA       PRO  44  -4.393   4.760  12.312
  330   1HB   PRO  44          2HB       PRO  44  -2.816   6.751  13.709
  331   2HB   PRO  44          1HB       PRO  44  -2.496   5.984  12.151
  332   1HG   PRO  44          2HG       PRO  44  -3.127   8.621  12.420
  333   2HG   PRO  44          1HG       PRO  44  -3.495   7.672  10.970
  334   1HD   PRO  44          2HD       PRO  44  -5.292   8.425  13.247
  335   2HD   PRO  44          1HD       PRO  44  -5.630   8.427  11.500
  336    H    LEU  45           H        LEU  45  -5.440   3.513  13.844
  337    HA   LEU  45           HA       LEU  45  -5.446   4.475  16.615
  338   1HB   LEU  45          2HB       LEU  45  -6.836   2.098  15.375
  339   2HB   LEU  45          1HB       LEU  45  -6.970   2.589  17.053
  340    HG   LEU  45           HG       LEU  45  -7.905   4.202  14.677
  341   1HD1  LEU  45          1HD1      LEU  45  -9.863   3.344  16.654
  342   2HD1  LEU  45          2HD1      LEU  45  -9.102   2.001  15.801
  343   3HD1  LEU  45          3HD1      LEU  45  -9.920   3.271  14.892
  344   1HD2  LEU  45          1HD2      LEU  45  -7.554   5.878  16.159
  345   2HD2  LEU  45          2HD2      LEU  45  -7.606   4.804  17.557
  346   3HD2  LEU  45          3HD2      LEU  45  -9.105   5.326  16.789
  347    H    GLY  46           H        GLY  46  -2.944   3.989  15.997
  348   1HA   GLY  46          2HA       GLY  46  -2.175   1.898  17.735
  349   2HA   GLY  46          1HA       GLY  46  -1.985   1.369  16.071
  350    HA   PRO  47           HA       PRO  47   2.035   3.126  15.781
  351   1HB   PRO  47          2HB       PRO  47   1.168   4.508  13.295
  352   2HB   PRO  47          1HB       PRO  47   2.523   3.406  13.558
  353   1HG   PRO  47          2HG       PRO  47   0.339   2.592  12.271
  354   2HG   PRO  47          1HG       PRO  47   1.188   1.516  13.398
  355   1HD   PRO  47          2HD       PRO  47  -1.351   3.046  13.783
  356   2HD   PRO  47          1HD       PRO  47  -0.916   1.418  14.347
  357    H    GLN  48           H        GLN  48  -0.078   5.599  14.307
  358    HA   GLN  48           HA       GLN  48   1.288   7.654  15.831
  359   1HB   GLN  48          2HB       GLN  48   0.829   7.798  13.344
  360   2HB   GLN  48          1HB       GLN  48  -0.872   7.971  13.742
  361   1HG   GLN  48          2HG       GLN  48  -0.369  10.014  14.985
  362   2HG   GLN  48          1HG       GLN  48   1.334   9.840  14.569
  363   1HE2  GLN  48          1HE2      GLN  48  -0.472   8.735  12.018
  364   2HE2  GLN  48          2HE2      GLN  48  -0.496  10.169  11.057
  365    H    ASP  49           H        ASP  49  -1.682   8.845  15.122
  366    HA   ASP  49           HA       ASP  49  -3.568   7.905  16.837
  367   1HB   ASP  49          2HB       ASP  49  -3.343   9.262  18.879
  368   2HB   ASP  49          1HB       ASP  49  -1.966   8.182  18.690
  369    H    GLN  50           H        GLN  50  -2.077  10.273  15.043
  370    HA   GLN  50           HA       GLN  50  -4.181  12.269  15.329
  371   1HB   GLN  50          2HB       GLN  50  -1.737  12.344  13.559
  372   2HB   GLN  50          1HB       GLN  50  -2.726  13.704  14.083
  373   1HG   GLN  50          2HG       GLN  50  -1.834  13.727  16.190
  374   2HG   GLN  50          1HG       GLN  50  -1.404  12.018  16.145
  375   1HE2  GLN  50          1HE2      GLN  50   0.616  11.477  15.696
  376   2HE2  GLN  50          2HE2      GLN  50   1.832  12.565  15.122
  377    HA   PRO  51           HA       PRO  51  -6.297  10.259  11.896
  378   1HB   PRO  51          2HB       PRO  51  -8.228  12.199  11.630
  379   2HB   PRO  51          1HB       PRO  51  -8.305  10.868  12.790
  380   1HG   PRO  51          2HG       PRO  51  -7.435  13.701  13.210
  381   2HG   PRO  51          1HG       PRO  51  -8.439  12.672  14.249
  382   1HD   PRO  51          2HD       PRO  51  -5.848  13.104  14.791
  383   2HD   PRO  51          1HD       PRO  51  -6.607  11.528  15.096
  384    H    ASP  52           H        ASP  52  -4.371  10.769  10.583
  385    HA   ASP  52           HA       ASP  52  -5.079  12.573   8.436
  386   1HB   ASP  52          2HB       ASP  52  -2.510  12.944   9.994
  387   2HB   ASP  52          1HB       ASP  52  -2.870  13.721   8.456
  388    H    TYR  53           H        TYR  53  -4.535   9.667   9.080
  389    HA   TYR  53           HA       TYR  53  -2.155   8.905   7.734
  390   1HB   TYR  53          2HB       TYR  53  -3.412   7.505   9.401
  391   2HB   TYR  53          1HB       TYR  53  -4.638   7.235   8.170
  392    HD1  TYR  53           1HD      TYR  53  -4.508   4.970   7.648
  393    HD2  TYR  53           2HD      TYR  53  -0.921   7.248   7.869
  394    HE1  TYR  53           1HE      TYR  53  -3.241   3.047   6.788
  395    HE2  TYR  53           2HE      TYR  53   0.355   5.330   7.011
  396    HH   TYR  53           HH       TYR  53  -0.361   3.184   5.471
  397    H    LEU  54           H        LEU  54  -1.845   9.439   5.673
  398    HA   LEU  54           HA       LEU  54  -4.060   9.312   3.767
  399   1HB   LEU  54          2HB       LEU  54  -2.632  11.321   3.817
  400   2HB   LEU  54          1HB       LEU  54  -1.231  10.337   3.458
  401    HG   LEU  54           HG       LEU  54  -2.131  11.657   1.528
  402   1HD1  LEU  54          1HD1      LEU  54  -1.753   9.974  -0.086
  403   2HD1  LEU  54          2HD1      LEU  54  -2.253   8.697   1.023
  404   3HD1  LEU  54          3HD1      LEU  54  -0.747   9.571   1.307
  405   1HD2  LEU  54          1HD2      LEU  54  -4.128  10.921   0.407
  406   2HD2  LEU  54          2HD2      LEU  54  -4.519  11.366   2.068
  407   3HD2  LEU  54          3HD2      LEU  54  -4.387   9.666   1.618
  408    H    ASN  55           H        ASN  55  -4.185   7.809   2.156
  409    HA   ASN  55           HA       ASN  55  -1.927   6.229   1.387
  410   1HB   ASN  55          2HB       ASN  55  -2.957   4.046   2.074
  411   2HB   ASN  55          1HB       ASN  55  -2.373   5.036   3.407
  412   1HD2  ASN  55          1HD2      ASN  55  -3.671   5.010   5.072
  413   2HD2  ASN  55          2HD2      ASN  55  -5.394   4.911   5.032
  414    H    ALA  56           H        ALA  56  -2.192   5.212  -0.510
  415    HA   ALA  56           HA       ALA  56  -4.852   5.255  -1.755
  416   1HB   ALA  56          1HB       ALA  56  -4.125   6.661  -3.312
  417   2HB   ALA  56          2HB       ALA  56  -2.885   5.498  -3.778
  418   3HB   ALA  56          3HB       ALA  56  -2.538   6.713  -2.546
  419    H    ALA  57           H        ALA  57  -4.459   3.956  -4.031
  420    HA   ALA  57           HA       ALA  57  -3.121   1.434  -3.312
  421   1HB   ALA  57          1HB       ALA  57  -5.857   1.794  -4.506
  422   2HB   ALA  57          2HB       ALA  57  -5.438   1.046  -2.965
  423   3HB   ALA  57          3HB       ALA  57  -4.994   0.256  -4.477
  424    H    VAL  58           H        VAL  58  -1.945   0.475  -4.869
  425    HA   VAL  58           HA       VAL  58  -2.185   1.478  -7.613
  426    HB   VAL  58           HB       VAL  58  -0.374   2.746  -6.644
  427   1HG1  VAL  58          1HG1      VAL  58   0.906   0.104  -5.963
  428   2HG1  VAL  58          2HG1      VAL  58   0.164   1.210  -4.807
  429   3HG1  VAL  58          3HG1      VAL  58   1.601   1.702  -5.700
  430   1HG2  VAL  58          1HG2      VAL  58   1.507   1.963  -8.121
  431   2HG2  VAL  58          2HG2      VAL  58  -0.040   2.201  -8.930
  432   3HG2  VAL  58          3HG2      VAL  58   0.504   0.571  -8.530
  433    H    ALA  59           H        ALA  59  -2.185  -0.061  -9.081
  434    HA   ALA  59           HA       ALA  59  -1.243  -2.752  -8.343
  435   1HB   ALA  59          1HB       ALA  59  -3.059  -2.435 -10.658
  436   2HB   ALA  59          2HB       ALA  59  -3.758  -2.140  -9.066
  437   3HB   ALA  59          3HB       ALA  59  -3.004  -3.695  -9.423
  438    H    LEU  60           H        LEU  60   0.851  -2.586  -9.013
  439    HA   LEU  60           HA       LEU  60   1.293  -1.858 -11.828
  440   1HB   LEU  60          2HB       LEU  60   2.736  -0.395 -10.966
  441   2HB   LEU  60          1HB       LEU  60   2.576  -1.091  -9.372
  442    HG   LEU  60           HG       LEU  60   4.412  -2.302 -11.425
  443   1HD1  LEU  60          1HD1      LEU  60   5.271  -0.329  -9.332
  444   2HD1  LEU  60          2HD1      LEU  60   4.846   0.178 -10.966
  445   3HD1  LEU  60          3HD1      LEU  60   6.181  -0.946 -10.711
  446   1HD2  LEU  60          1HD2      LEU  60   3.674  -2.814  -8.676
  447   2HD2  LEU  60          2HD2      LEU  60   5.407  -2.530  -8.837
  448   3HD2  LEU  60          3HD2      LEU  60   4.629  -3.797  -9.786
  449    H    GLU  61           H        GLU  61   2.593  -3.131 -13.136
  450    HA   GLU  61           HA       GLU  61   2.712  -5.919 -12.353
  451   1HB   GLU  61          2HB       GLU  61   3.376  -6.303 -14.711
  452   2HB   GLU  61          1HB       GLU  61   1.861  -5.425 -14.557
  453   1HG   GLU  61          2HG       GLU  61   3.018  -3.331 -15.025
  454   2HG   GLU  61          1HG       GLU  61   4.544  -4.202 -15.163
  455    H    THR  62           H        THR  62   4.423  -6.761 -11.389
  456    HA   THR  62           HA       THR  62   7.030  -5.473 -11.728
  457    HB   THR  62           HB       THR  62   7.675  -6.862  -9.734
  458    HG1  THR  62           1HG      THR  62   6.341  -8.386  -9.258
  459   1HG2  THR  62          1HG2      THR  62   5.301  -5.107  -9.200
  460   2HG2  THR  62          2HG2      THR  62   6.946  -4.522  -9.459
  461   3HG2  THR  62          3HG2      THR  62   6.582  -5.550  -8.073
  462    H    SER  63           H        SER  63   8.833  -7.083 -11.309
  463    HA   SER  63           HA       SER  63   8.532  -9.670 -12.582
  464   1HB   SER  63          2HB       SER  63  10.473  -7.576 -13.619
  465   2HB   SER  63          1HB       SER  63  10.416  -9.260 -14.138
  466    HG   SER  63           HG       SER  63   8.000  -7.984 -14.309
  467    H    LEU  64           H        LEU  64   9.315  -7.888 -10.168
  468    HA   LEU  64           HA       LEU  64  11.509  -9.554  -9.227
  469   1HB   LEU  64          2HB       LEU  64  12.413  -7.445  -8.128
  470   2HB   LEU  64          1HB       LEU  64  12.654  -7.598  -9.859
  471    HG   LEU  64           HG       LEU  64  10.239  -6.237  -9.646
  472   1HD1  LEU  64          1HD1      LEU  64  10.652  -5.857  -7.272
  473   2HD1  LEU  64          2HD1      LEU  64  10.730  -4.351  -8.185
  474   3HD1  LEU  64          3HD1      LEU  64  12.216  -5.137  -7.653
  475   1HD2  LEU  64          1HD2      LEU  64  11.301  -4.929 -11.098
  476   2HD2  LEU  64          2HD2      LEU  64  12.711  -5.963 -10.866
  477   3HD2  LEU  64          3HD2      LEU  64  12.533  -4.489  -9.915
  478    H    ALA  65           H        ALA  65  10.316 -10.709  -7.823
  479    HA   ALA  65           HA       ALA  65   8.115 -10.409  -6.463
  480   1HB   ALA  65          1HB       ALA  65  10.211 -11.128  -4.553
  481   2HB   ALA  65          2HB       ALA  65  10.299 -11.991  -6.088
  482   3HB   ALA  65          3HB       ALA  65   8.824 -12.055  -5.125
  483    HA   PRO  66           HA       PRO  66   7.632  -6.473  -4.456
  484   1HB   PRO  66          2HB       PRO  66   6.654  -8.212  -2.259
  485   2HB   PRO  66          1HB       PRO  66   5.902  -6.796  -2.996
  486   1HG   PRO  66          2HG       PRO  66   5.292  -9.450  -3.553
  487   2HG   PRO  66          1HG       PRO  66   4.844  -8.039  -4.525
  488   1HD   PRO  66          2HD       PRO  66   6.621 -10.150  -5.242
  489   2HD   PRO  66          1HD       PRO  66   6.292  -8.666  -6.158
  490    H    GLU  67           H        GLU  67   8.988  -9.247  -2.715
  491    HA   GLU  67           HA       GLU  67   9.985  -8.071  -0.467
  492   1HB   GLU  67          2HB       GLU  67  11.430 -10.050  -2.247
  493   2HB   GLU  67          1HB       GLU  67  11.838  -9.713  -0.569
  494   1HG   GLU  67          2HG       GLU  67   9.659 -10.551   0.133
  495   2HG   GLU  67          1HG       GLU  67   9.239 -10.876  -1.548
  496    H    GLU  68           H        GLU  68  11.581  -8.304  -3.589
  497    HA   GLU  68           HA       GLU  68  13.634  -6.424  -2.955
  498   1HB   GLU  68          2HB       GLU  68  14.449  -7.813  -4.557
  499   2HB   GLU  68          1HB       GLU  68  12.852  -8.155  -5.210
  500   1HG   GLU  68          2HG       GLU  68  12.851  -6.109  -6.428
  501   2HG   GLU  68          1HG       GLU  68  14.392  -5.623  -5.714
  502    H    LEU  69           H        LEU  69  10.523  -6.331  -4.628
  503    HA   LEU  69           HA       LEU  69  10.820  -3.845  -5.885
  504   1HB   LEU  69          2HB       LEU  69   8.961  -4.650  -6.759
  505   2HB   LEU  69          1HB       LEU  69   8.696  -5.740  -5.417
  506    HG   LEU  69           HG       LEU  69   7.730  -3.673  -4.201
  507   1HD1  LEU  69          1HD1      LEU  69   7.154  -2.632  -6.929
  508   2HD1  LEU  69          2HD1      LEU  69   8.679  -2.212  -6.148
  509   3HD1  LEU  69          3HD1      LEU  69   7.148  -1.799  -5.375
  510   1HD2  LEU  69          1HD2      LEU  69   6.581  -5.555  -6.024
  511   2HD2  LEU  69          2HD2      LEU  69   5.716  -4.024  -6.141
  512   3HD2  LEU  69          3HD2      LEU  69   5.871  -4.831  -4.580
  513    H    LEU  70           H        LEU  70   9.044  -4.489  -2.818
  514    HA   LEU  70           HA       LEU  70   8.814  -1.718  -2.298
  515   1HB   LEU  70          2HB       LEU  70   8.143  -2.454   0.017
  516   2HB   LEU  70          1HB       LEU  70   7.153  -3.028  -1.308
  517    HG   LEU  70           HG       LEU  70   8.749  -5.136  -1.102
  518   1HD1  LEU  70          1HD1      LEU  70  10.129  -4.169   0.663
  519   2HD1  LEU  70          2HD1      LEU  70   9.277  -5.613   1.216
  520   3HD1  LEU  70          3HD1      LEU  70   8.700  -4.012   1.687
  521   1HD2  LEU  70          1HD2      LEU  70   6.766  -6.010  -0.666
  522   2HD2  LEU  70          2HD2      LEU  70   6.153  -4.406  -0.262
  523   3HD2  LEU  70          3HD2      LEU  70   6.860  -5.422   0.995
  524    H    ASN  71           H        ASN  71  11.345  -3.972  -1.921
  525    HA   ASN  71           HA       ASN  71  12.741  -2.853   0.250
  526   1HB   ASN  71          2HB       ASN  71  13.376  -4.620  -1.992
  527   2HB   ASN  71          1HB       ASN  71  14.719  -3.555  -1.587
  528   1HD2  ASN  71          1HD2      ASN  71  13.765  -6.526  -1.137
  529   2HD2  ASN  71          2HD2      ASN  71  14.292  -6.826   0.479
  530    H    HIS  72           H        HIS  72  12.511  -1.988  -3.158
  531    HA   HIS  72           HA       HIS  72  14.382   0.191  -3.000
  532   1HB   HIS  72          2HB       HIS  72  12.409  -0.686  -5.109
  533   2HB   HIS  72          1HB       HIS  72  13.447   0.728  -5.297
  534    HD1  HIS  72           1HD      HIS  72  16.107   0.167  -5.193
  535    HD2  HIS  72           2HD      HIS  72  13.545  -3.045  -5.795
  536    HE1  HIS  72           1HE      HIS  72  17.557  -1.691  -6.070
  537    HE2  HIS  72           2HE      HIS  72  15.971  -3.596  -6.518
  538    H    THR  73           H        THR  73  10.843  -0.155  -3.073
  539    HA   THR  73           HA       THR  73  10.247   2.590  -3.205
  540    HB   THR  73           HB       THR  73   8.048   1.987  -2.395
  541    HG1  THR  73           1HG      THR  73   8.236   0.625  -0.766
  542   1HG2  THR  73          1HG2      THR  73   9.350   0.391  -4.450
  543   2HG2  THR  73          2HG2      THR  73   7.787   1.208  -4.461
  544   3HG2  THR  73          3HG2      THR  73   7.942  -0.390  -3.733
  545    H    GLN  74           H        GLN  74  10.368   0.444  -0.377
  546    HA   GLN  74           HA       GLN  74  10.132   2.486   1.546
  547   1HB   GLN  74          2HB       GLN  74  11.355  -0.270   1.816
  548   2HB   GLN  74          1HB       GLN  74  10.915   0.782   3.154
  549   1HG   GLN  74          2HG       GLN  74   8.567   0.687   2.420
  550   2HG   GLN  74          1HG       GLN  74   9.034  -0.429   1.141
  551   1HE2  GLN  74          1HE2      GLN  74  10.989  -1.077   3.711
  552   2HE2  GLN  74          2HE2      GLN  74  10.075  -2.340   4.454
  553    H    ARG  75           H        ARG  75  12.690   1.441  -0.450
  554    HA   ARG  75           HA       ARG  75  14.908   2.181   1.158
  555   1HB   ARG  75          2HB       ARG  75  15.015   0.819  -0.965
  556   2HB   ARG  75          1HB       ARG  75  14.705   2.295  -1.863
  557   1HG   ARG  75          2HG       ARG  75  16.776   3.256  -0.918
  558   2HG   ARG  75          1HG       ARG  75  17.097   1.704  -0.139
  559   1HD   ARG  75          2HD       ARG  75  17.009   0.639  -2.405
  560   2HD   ARG  75          1HD       ARG  75  16.899   2.259  -3.095
  561    HE   ARG  75           HE       ARG  75  19.132   2.162  -1.408
  562   1HH1  ARG  75          1HH1      ARG  75  18.035   0.853  -4.447
  563   2HH1  ARG  75          2HH1      ARG  75  19.630   0.698  -5.101
  564   1HH2  ARG  75          1HH2      ARG  75  21.233   1.959  -2.263
  565   2HH2  ARG  75          2HH2      ARG  75  21.448   1.326  -3.860
  566    H    ILE  76           H        ILE  76  12.694   3.832  -0.956
  567    HA   ILE  76           HA       ILE  76  14.004   6.323  -1.087
  568    HB   ILE  76           HB       ILE  76  11.031   5.952  -1.209
  569   1HG1  ILE  76          2HG1      ILE  76  12.055   4.288  -2.687
  570   2HG1  ILE  76          1HG1      ILE  76  11.291   5.562  -3.631
  571   1HG2  ILE  76          1HG2      ILE  76  12.928   7.962  -2.383
  572   2HG2  ILE  76          2HG2      ILE  76  11.663   8.235  -1.183
  573   3HG2  ILE  76          3HG2      ILE  76  11.231   7.830  -2.845
  574   1HD1  ILE  76          1HD1      ILE  76  14.235   5.399  -3.035
  575   2HD1  ILE  76          2HD1      ILE  76  13.431   6.566  -4.084
  576   3HD1  ILE  76          3HD1      ILE  76  13.469   4.859  -4.528
  577    H    GLU  77           H        GLU  77  11.261   5.217   0.886
  578    HA   GLU  77           HA       GLU  77  11.065   7.536   2.418
  579   1HB   GLU  77          2HB       GLU  77   9.801   6.199   4.015
  580   2HB   GLU  77          1HB       GLU  77   9.316   5.859   2.364
  581   1HG   GLU  77          2HG       GLU  77   9.354   3.788   3.401
  582   2HG   GLU  77          1HG       GLU  77  10.854   3.845   2.486
  583    H    LEU  78           H        LEU  78  13.322   4.899   2.623
  584    HA   LEU  78           HA       LEU  78  14.187   5.194   5.267
  585   1HB   LEU  78          2HB       LEU  78  15.649   4.336   2.777
  586   2HB   LEU  78          1HB       LEU  78  16.421   4.360   4.352
  587    HG   LEU  78           HG       LEU  78  13.992   2.717   3.630
  588   1HD1  LEU  78          1HD1      LEU  78  15.334   0.988   3.134
  589   2HD1  LEU  78          2HD1      LEU  78  16.503   1.403   4.388
  590   3HD1  LEU  78          3HD1      LEU  78  16.540   2.239   2.836
  591   1HD2  LEU  78          1HD2      LEU  78  15.674   2.756   6.135
  592   2HD2  LEU  78          2HD2      LEU  78  14.338   1.655   5.799
  593   3HD2  LEU  78          3HD2      LEU  78  14.031   3.382   5.985
  594    H    GLN  79           H        GLN  79  15.364   6.762   2.297
  595    HA   GLN  79           HA       GLN  79  16.867   8.659   3.961
  596   1HB   GLN  79          2HB       GLN  79  17.960   9.329   1.836
  597   2HB   GLN  79          1HB       GLN  79  18.181   7.628   2.220
  598   1HG   GLN  79          2HG       GLN  79  16.386   7.060   0.640
  599   2HG   GLN  79          1HG       GLN  79  16.237   8.768   0.226
  600   1HE2  GLN  79          1HE2      GLN  79  17.235   9.314  -1.564
  601   2HE2  GLN  79          2HE2      GLN  79  18.663   8.582  -2.208
  602    H    GLN  80           H        GLN  80  14.642   8.655   1.190
  603    HA   GLN  80           HA       GLN  80  14.215  11.420   1.138
  604   1HB   GLN  80          2HB       GLN  80  12.567   9.143   0.073
  605   2HB   GLN  80          1HB       GLN  80  12.172  10.835  -0.208
  606   1HG   GLN  80          2HG       GLN  80  14.732   9.480  -1.025
  607   2HG   GLN  80          1HG       GLN  80  13.372   9.835  -2.088
  608   1HE2  GLN  80          1HE2      GLN  80  13.602  11.584  -3.263
  609   2HE2  GLN  80          2HE2      GLN  80  14.538  12.979  -2.856
  610    H    GLY  81           H        GLY  81  12.600   8.870   2.960
  611   1HA   GLY  81          2HA       GLY  81  10.420  10.533   3.773
  612   2HA   GLY  81          1HA       GLY  81  10.846   8.968   4.447
  613    H    ARG  82           H        ARG  82  13.398  11.252   4.396
  614    HA   ARG  82           HA       ARG  82  14.530  12.324   6.056
  615   1HB   ARG  82          2HB       ARG  82  11.712  12.758   7.063
  616   2HB   ARG  82          1HB       ARG  82  13.130  13.557   7.727
  617   1HG   ARG  82          2HG       ARG  82  12.423  13.773   4.823
  618   2HG   ARG  82          1HG       ARG  82  11.709  14.837   6.037
  619   1HD   ARG  82          2HD       ARG  82  13.627  15.913   5.038
  620   2HD   ARG  82          1HD       ARG  82  13.972  15.529   6.723
  621    HE   ARG  82           HE       ARG  82  15.728  14.299   5.981
  622   1HH1  ARG  82          1HH1      ARG  82  13.345  14.396   3.434
  623   2HH1  ARG  82          2HH1      ARG  82  14.323  13.506   2.315
  624   1HH2  ARG  82          1HH2      ARG  82  17.019  13.139   4.510
  625   2HH2  ARG  82          2HH2      ARG  82  16.410  12.792   2.927
  626    H    VAL  83           H        VAL  83  14.312   9.522   6.312
  627    HA   VAL  83           HA       VAL  83  14.188   9.189   9.245
  628    HB   VAL  83           HB       VAL  83  14.106   6.832   7.420
  629   1HG1  VAL  83          1HG1      VAL  83  13.658   5.777   9.317
  630   2HG1  VAL  83          2HG1      VAL  83  12.231   6.782   9.576
  631   3HG1  VAL  83          3HG1      VAL  83  13.802   7.307  10.182
  632   1HG2  VAL  83          1HG2      VAL  83  11.787   8.692   7.906
  633   2HG2  VAL  83          2HG2      VAL  83  11.596   7.022   7.373
  634   3HG2  VAL  83          3HG2      VAL  83  12.458   8.178   6.358
  635    H    ARG  84           H        ARG  84  15.493   6.776   9.457
  636    HA   ARG  84           HA       ARG  84  17.519   5.764   9.545
  637   1HB   ARG  84          2HB       ARG  84  17.463   5.836   7.105
  638   2HB   ARG  84          1HB       ARG  84  18.120   7.465   7.121
  639   1HG   ARG  84          2HG       ARG  84  19.896   6.001   6.585
  640   2HG   ARG  84          1HG       ARG  84  20.145   6.542   8.244
  641   1HD   ARG  84          2HD       ARG  84  18.837   3.931   7.507
  642   2HD   ARG  84          1HD       ARG  84  20.555   4.100   7.859
  643    HE   ARG  84           HE       ARG  84  19.116   5.178   9.998
  644   1HH1  ARG  84          1HH1      ARG  84  19.688   2.093   8.483
  645   2HH1  ARG  84          2HH1      ARG  84  19.473   1.191   9.945
  646   1HH2  ARG  84          1HH2      ARG  84  18.833   3.997  11.928
  647   2HH2  ARG  84          2HH2      ARG  84  18.986   2.273  11.903
  648    H    LYS  85           H        LYS  85  18.426   9.014   8.391
  649    HA   LYS  85           HA       LYS  85  20.113   9.279  10.776
  650   1HB   LYS  85          2HB       LYS  85  21.187  11.154   9.364
  651   2HB   LYS  85          1HB       LYS  85  21.521   9.483   8.935
  652   1HG   LYS  85          2HG       LYS  85  21.130  10.728   6.934
  653   2HG   LYS  85          1HG       LYS  85  19.774   9.630   7.185
  654   1HD   LYS  85          2HD       LYS  85  18.468  11.491   8.130
  655   2HD   LYS  85          1HD       LYS  85  19.825  12.579   7.825
  656   1HE   LYS  85          2HE       LYS  85  18.275  11.036   5.747
  657   2HE   LYS  85          1HE       LYS  85  18.143  12.763   6.069
  658   1HZ   LYS  85          1HZ       LYS  85  19.554  12.527   4.215
  659   2HZ   LYS  85          2HZ       LYS  85  20.462  11.302   4.947
  660   3HZ   LYS  85          3HZ       LYS  85  20.573  12.891   5.516
  661    H    ALA  86           H        ALA  86  17.144   9.945  10.213
  662    HA   ALA  86           HA       ALA  86  17.229  12.522  11.598
  663   1HB   ALA  86          1HB       ALA  86  16.524  12.294   8.898
  664   2HB   ALA  86          2HB       ALA  86  16.312  13.692   9.951
  665   3HB   ALA  86          3HB       ALA  86  15.010  12.515   9.775
  666    H    GLU  87           H        GLU  87  14.810  10.235  10.263
  667    HA   GLU  87           HA       GLU  87  13.336  10.435  12.787
  668   1HB   GLU  87          2HB       GLU  87  12.649   9.687  10.004
  669   2HB   GLU  87          1HB       GLU  87  11.767   8.860  11.280
  670   1HG   GLU  87          2HG       GLU  87  10.566  10.819  10.491
  671   2HG   GLU  87          1HG       GLU  87  11.028  10.989  12.183
  672    H    ARG  88           H        ARG  88  12.461   8.479  13.780
  673    HA   ARG  88           HA       ARG  88  13.711   5.954  13.164
  674   1HB   ARG  88          2HB       ARG  88  14.832   5.668  15.297
  675   2HB   ARG  88          1HB       ARG  88  15.464   7.090  14.479
  676   1HG   ARG  88          2HG       ARG  88  14.029   8.507  15.892
  677   2HG   ARG  88          1HG       ARG  88  13.479   7.063  16.744
  678   1HD   ARG  88          2HD       ARG  88  15.825   6.596  17.378
  679   2HD   ARG  88          1HD       ARG  88  16.306   8.105  16.605
  680    HE   ARG  88           HE       ARG  88  15.675   9.172  18.509
  681   1HH1  ARG  88          1HH1      ARG  88  13.869   6.199  18.293
  682   2HH1  ARG  88          2HH1      ARG  88  13.058   6.432  19.804
  683   1HH2  ARG  88          1HH2      ARG  88  14.611   9.486  20.501
  684   2HH2  ARG  88          2HH2      ARG  88  13.480   8.298  21.059
  685    H    TRP  89           H        TRP  89  11.529   7.907  15.039
  686    HA   TRP  89           HA       TRP  89   9.809   5.589  15.423
  687   1HB   TRP  89          2HB       TRP  89  11.221   5.712  17.466
  688   2HB   TRP  89          1HB       TRP  89  10.629   7.343  17.749
  689    HD1  TRP  89           HD       TRP  89   8.985   7.256  19.699
  690    HE1  TRP  89           1HE      TRP  89   7.049   5.724  20.419
  691    HE3  TRP  89           3HE      TRP  89   9.331   3.720  16.020
  692    HZ2  TRP  89           2HZ      TRP  89   5.827   3.334  19.545
  693    HZ3  TRP  89           3HZ      TRP  89   7.741   1.844  16.035
  694    HH2  TRP  89           HH       TRP  89   6.025   1.655  17.763
  695    H    GLY  90           H        GLY  90   7.611   6.172  16.050
  696   1HA   GLY  90          2HA       GLY  90   5.804   7.646  16.243
  697   2HA   GLY  90          1HA       GLY  90   6.886   8.985  15.891
  698    HA   PRO  91           HA       PRO  91   4.294   8.471  12.111
  699   1HB   PRO  91          2HB       PRO  91   4.543  11.087  11.353
  700   2HB   PRO  91          1HB       PRO  91   3.294  10.504  12.460
  701   1HG   PRO  91          2HG       PRO  91   5.904  11.835  13.080
  702   2HG   PRO  91          1HG       PRO  91   4.307  12.109  13.803
  703   1HD   PRO  91          2HD       PRO  91   6.181  10.628  15.037
  704   2HD   PRO  91          1HD       PRO  91   4.453  10.232  15.148
  705    H    ARG  92           H        ARG  92   5.130  10.323  10.037
  706    HA   ARG  92           HA       ARG  92   6.608  10.442   8.299
  707   1HB   ARG  92          2HB       ARG  92   8.654   9.816  10.439
  708   2HB   ARG  92          1HB       ARG  92   9.011  10.434   8.834
  709   1HG   ARG  92          2HG       ARG  92   7.275  11.931  10.770
  710   2HG   ARG  92          1HG       ARG  92   9.032  12.088  10.759
  711   1HD   ARG  92          2HD       ARG  92   8.919  12.750   8.380
  712   2HD   ARG  92          1HD       ARG  92   7.159  12.675   8.469
  713    HE   ARG  92           HE       ARG  92   8.043  14.372  10.496
  714   1HH1  ARG  92          1HH1      ARG  92   7.992  14.253   7.015
  715   2HH1  ARG  92          2HH1      ARG  92   7.935  15.974   6.829
  716   1HH2  ARG  92          1HH2      ARG  92   7.971  16.638  10.261
  717   2HH2  ARG  92          2HH2      ARG  92   7.924  17.331   8.674
  718    H    THR  93           H        THR  93   8.631   9.119   7.357
  719    HA   THR  93           HA       THR  93   9.394   7.192   6.443
  720    HB   THR  93           HB       THR  93   8.182   5.917   8.901
  721    HG1  THR  93           1HG      THR  93   9.873   6.634   9.876
  722   1HG2  THR  93          1HG2      THR  93  10.497   4.598   7.797
  723   2HG2  THR  93          2HG2      THR  93   9.142   4.601   6.671
  724   3HG2  THR  93          3HG2      THR  93   8.941   3.932   8.289
  725    H    LEU  94           H        LEU  94   8.536   6.528   4.644
  726    HA   LEU  94           HA       LEU  94   5.726   5.969   4.400
  727   1HB   LEU  94          2HB       LEU  94   6.741   7.097   2.564
  728   2HB   LEU  94          1HB       LEU  94   8.021   5.920   2.467
  729    HG   LEU  94           HG       LEU  94   6.203   5.865   0.694
  730   1HD1  LEU  94          1HD1      LEU  94   6.405   3.484   0.422
  731   2HD1  LEU  94          2HD1      LEU  94   6.907   3.329   2.107
  732   3HD1  LEU  94          3HD1      LEU  94   7.940   4.183   0.953
  733   1HD2  LEU  94          1HD2      LEU  94   4.115   5.286   1.107
  734   2HD2  LEU  94          2HD2      LEU  94   4.488   5.691   2.782
  735   3HD2  LEU  94          3HD2      LEU  94   4.606   4.019   2.232
  736    H    ASP  95           H        ASP  95   4.821   4.015   3.780
  737    HA   ASP  95           HA       ASP  95   6.427   1.585   4.121
  738   1HB   ASP  95          2HB       ASP  95   5.587   2.085   6.278
  739   2HB   ASP  95          1HB       ASP  95   4.030   2.547   5.596
  740    H    LEU  96           H        LEU  96   5.994   0.322   2.343
  741    HA   LEU  96           HA       LEU  96   3.199   0.003   1.582
  742   1HB   LEU  96          2HB       LEU  96   3.576   0.296  -0.755
  743   2HB   LEU  96          1HB       LEU  96   4.073   1.741   0.101
  744    HG   LEU  96           HG       LEU  96   6.456   0.571  -0.069
  745   1HD1  LEU  96          1HD1      LEU  96   6.628  -1.125  -1.486
  746   2HD1  LEU  96          2HD1      LEU  96   5.783  -0.223  -2.746
  747   3HD1  LEU  96          3HD1      LEU  96   4.867  -1.171  -1.573
  748   1HD2  LEU  96          1HD2      LEU  96   4.918   2.424  -1.736
  749   2HD2  LEU  96          2HD2      LEU  96   6.328   1.719  -2.528
  750   3HD2  LEU  96          3HD2      LEU  96   6.516   2.603  -1.013
  751    H    ASP  97           H        ASP  97   2.629  -1.956   0.915
  752    HA   ASP  97           HA       ASP  97   4.624  -3.939   0.149
  753   1HB   ASP  97          2HB       ASP  97   3.813  -5.576   1.819
  754   2HB   ASP  97          1HB       ASP  97   4.577  -4.184   2.580
  755    H    ILE  98           H        ILE  98   3.697  -5.819  -0.779
  756    HA   ILE  98           HA       ILE  98   1.454  -5.219  -2.397
  757    HB   ILE  98           HB       ILE  98   1.694  -7.717  -3.000
  758   1HG1  ILE  98          2HG1      ILE  98   3.974  -8.603  -2.462
  759   2HG1  ILE  98          1HG1      ILE  98   4.182  -7.269  -1.338
  760   1HG2  ILE  98          1HG2      ILE  98   2.469  -5.863  -4.383
  761   2HG2  ILE  98          2HG2      ILE  98   3.590  -7.223  -4.443
  762   3HG2  ILE  98          3HG2      ILE  98   3.974  -5.806  -3.466
  763   1HD1  ILE  98          1HD1      ILE  98   1.741  -8.727  -0.823
  764   2HD1  ILE  98          2HD1      ILE  98   3.085  -8.348   0.255
  765   3HD1  ILE  98          3HD1      ILE  98   3.160  -9.773  -0.781
  766    H    MET  99           H        MET  99  -0.467  -6.431  -2.619
  767    HA   MET  99           HA       MET  99  -1.449  -7.612  -0.116
  768   1HB   MET  99          2HB       MET  99  -2.713  -5.750  -2.058
  769   2HB   MET  99          1HB       MET  99  -3.741  -7.010  -1.386
  770   1HG   MET  99          2HG       MET  99  -3.804  -4.857  -0.149
  771   2HG   MET  99          1HG       MET  99  -3.358  -6.251   0.833
  772   1HE   MET  99          1HE       MET  99  -1.196  -3.878   2.734
  773   2HE   MET  99          2HE       MET  99  -2.732  -4.733   2.602
  774   3HE   MET  99          3HE       MET  99  -2.564  -3.111   1.929
  775    H    LEU 100           H        LEU 100  -0.955  -7.879  -3.503
  776    HA   LEU 100           HA       LEU 100  -1.527 -10.728  -3.450
  777   1HB   LEU 100          2HB       LEU 100  -2.902  -8.925  -5.450
  778   2HB   LEU 100          1HB       LEU 100  -2.940 -10.674  -5.460
  779    HG   LEU 100           HG       LEU 100  -4.034 -10.391  -3.099
  780   1HD1  LEU 100          1HD1      LEU 100  -5.199  -7.909  -4.191
  781   2HD1  LEU 100          2HD1      LEU 100  -3.581  -7.778  -3.498
  782   3HD1  LEU 100          3HD1      LEU 100  -4.913  -8.393  -2.520
  783   1HD2  LEU 100          1HD2      LEU 100  -4.970 -11.012  -5.529
  784   2HD2  LEU 100          2HD2      LEU 100  -5.892  -9.538  -5.231
  785   3HD2  LEU 100          3HD2      LEU 100  -5.997 -10.888  -4.101
  786    H    PHE 101           H        PHE 101  -0.713 -11.798  -5.519
  787    HA   PHE 101           HA       PHE 101   1.251 -10.065  -6.878
  788   1HB   PHE 101          2HB       PHE 101   2.406 -11.442  -5.183
  789   2HB   PHE 101          1HB       PHE 101   1.792 -12.895  -5.962
  790    HD1  PHE 101           1HD      PHE 101   3.526 -14.017  -6.972
  791    HD2  PHE 101           2HD      PHE 101   3.351  -9.776  -7.288
  792    HE1  PHE 101           1HE      PHE 101   5.492 -14.049  -8.452
  793    HE2  PHE 101           2HE      PHE 101   5.317  -9.801  -8.768
  794    HZ   PHE 101           HZ       PHE 101   6.388 -11.953  -9.353
  795    H    GLY 102           H        GLY 102  -0.157  -9.895  -8.639
  796   1HA   GLY 102          2HA       GLY 102  -0.795 -10.424 -10.780
  797   2HA   GLY 102          1HA       GLY 102   0.239 -11.837 -10.664
  798    H    ASN 103           H        ASN 103  -1.670 -12.213  -8.118
  799    HA   ASN 103           HA       ASN 103  -3.695 -13.191  -7.639
  800   1HB   ASN 103          2HB       ASN 103  -4.668 -12.138  -9.727
  801   2HB   ASN 103          1HB       ASN 103  -4.139 -13.565 -10.612
  802   1HD2  ASN 103          1HD2      ASN 103  -6.612 -12.171  -8.882
  803   2HD2  ASN 103          2HD2      ASN 103  -7.577 -13.574  -8.613
  804    H    GLU 104           H        GLU 104  -1.328 -14.246  -7.487
  805    HA   GLU 104           HA       GLU 104  -1.543 -16.993  -8.510
  806   1HB   GLU 104          2HB       GLU 104   0.374 -15.262  -9.099
  807   2HB   GLU 104          1HB       GLU 104   0.996 -15.747  -7.532
  808   1HG   GLU 104          2HG       GLU 104   0.362 -17.645  -9.764
  809   2HG   GLU 104          1HG       GLU 104   1.947 -16.939  -9.470
  810    H    VAL 105           H        VAL 105  -0.679 -18.653  -6.965
  811    HA   VAL 105           HA       VAL 105  -1.293 -17.814  -4.222
  812    HB   VAL 105           HB       VAL 105  -1.085 -20.628  -5.328
  813   1HG1  VAL 105          1HG1      VAL 105  -0.747 -19.907  -2.749
  814   2HG1  VAL 105          2HG1      VAL 105  -1.442 -21.445  -3.260
  815   3HG1  VAL 105          3HG1      VAL 105  -2.499 -20.111  -2.800
  816   1HG2  VAL 105          1HG2      VAL 105  -3.465 -18.869  -4.755
  817   2HG2  VAL 105          2HG2      VAL 105  -3.578 -20.616  -4.966
  818   3HG2  VAL 105          3HG2      VAL 105  -3.006 -19.603  -6.292
  819    H    ILE 106           H        ILE 106   0.665 -16.826  -3.835
  820    HA   ILE 106           HA       ILE 106   2.894 -18.666  -3.324
  821    HB   ILE 106           HB       ILE 106   3.602 -17.662  -5.300
  822   1HG1  ILE 106          2HG1      ILE 106   4.655 -15.948  -3.043
  823   2HG1  ILE 106          1HG1      ILE 106   5.375 -17.422  -3.688
  824   1HG2  ILE 106          1HG2      ILE 106   3.257 -14.852  -4.840
  825   2HG2  ILE 106          2HG2      ILE 106   1.721 -15.701  -4.665
  826   3HG2  ILE 106          3HG2      ILE 106   2.650 -15.859  -6.155
  827   1HD1  ILE 106          1HD1      ILE 106   6.444 -16.299  -5.279
  828   2HD1  ILE 106          2HD1      ILE 106   5.984 -14.827  -4.419
  829   3HD1  ILE 106          3HD1      ILE 106   4.979 -15.426  -5.744
  830    H    ASN 107           H        ASN 107   2.804 -18.684  -1.145
  831    HA   ASN 107           HA       ASN 107   2.911 -16.089   0.246
  832   1HB   ASN 107          2HB       ASN 107   1.634 -18.688   1.083
  833   2HB   ASN 107          1HB       ASN 107   1.974 -17.393   2.226
  834   1HD2  ASN 107          1HD2      ASN 107   1.402 -15.788  -0.500
  835   2HD2  ASN 107          2HD2      ASN 107  -0.294 -15.537  -0.365
  836    H    THR 108           H        THR 108   4.510 -15.709   1.648
  837    HA   THR 108           HA       THR 108   6.228 -17.908   2.521
  838    HB   THR 108           HB       THR 108   8.256 -16.548   1.987
  839    HG1  THR 108           1HG      THR 108   6.986 -15.062   0.081
  840   1HG2  THR 108          1HG2      THR 108   7.673 -16.654  -0.675
  841   2HG2  THR 108          2HG2      THR 108   6.554 -17.834   0.007
  842   3HG2  THR 108          3HG2      THR 108   8.286 -17.991   0.297
  843    H    GLU 109           H        GLU 109   6.390 -14.350   2.649
  844    HA   GLU 109           HA       GLU 109   5.490 -14.072   5.286
  845   1HB   GLU 109          2HB       GLU 109   7.617 -13.618   6.449
  846   2HB   GLU 109          1HB       GLU 109   7.507 -15.289   5.911
  847   1HG   GLU 109          2HG       GLU 109   8.930 -14.769   3.997
  848   2HG   GLU 109          1HG       GLU 109   9.043 -13.095   4.537
  849    H    ARG 110           H        ARG 110   7.528 -12.888   2.696
  850    HA   ARG 110           HA       ARG 110   6.854 -10.124   3.464
  851   1HB   ARG 110          2HB       ARG 110   9.301 -10.776   3.319
  852   2HB   ARG 110          1HB       ARG 110   9.063 -10.997   1.592
  853   1HG   ARG 110          2HG       ARG 110   8.678  -8.695   1.243
  854   2HG   ARG 110          1HG       ARG 110   8.461  -8.396   2.972
  855   1HD   ARG 110          2HD       ARG 110  10.829  -9.001   3.332
  856   2HD   ARG 110          1HD       ARG 110  11.018  -9.204   1.591
  857    HE   ARG 110           HE       ARG 110  10.014  -6.645   2.034
  858   1HH1  ARG 110          1HH1      ARG 110  12.893  -8.481   2.731
  859   2HH1  ARG 110          2HH1      ARG 110  13.935  -7.096   2.723
  860   1HH2  ARG 110          1HH2      ARG 110  11.378  -4.815   2.023
  861   2HH2  ARG 110          2HH2      ARG 110  13.073  -5.013   2.320
  862    H    LEU 111           H        LEU 111   5.550 -12.392   1.731
  863    HA   LEU 111           HA       LEU 111   4.294 -10.621  -0.094
  864   1HB   LEU 111          2HB       LEU 111   6.191 -10.815  -1.457
  865   2HB   LEU 111          1HB       LEU 111   6.355 -12.532  -1.134
  866    HG   LEU 111           HG       LEU 111   4.421 -13.033  -2.522
  867   1HD1  LEU 111          1HD1      LEU 111   3.311 -11.248  -3.805
  868   2HD1  LEU 111          2HD1      LEU 111   4.215 -10.051  -2.878
  869   3HD1  LEU 111          3HD1      LEU 111   3.055 -11.102  -2.065
  870   1HD2  LEU 111          1HD2      LEU 111   5.944 -11.096  -4.191
  871   2HD2  LEU 111          2HD2      LEU 111   5.459 -12.756  -4.544
  872   3HD2  LEU 111          3HD2      LEU 111   6.809 -12.444  -3.452
  873    H    THR 112           H        THR 112   2.401 -11.409   0.830
  874    HA   THR 112           HA       THR 112   1.725 -14.176   0.102
  875    HB   THR 112           HB       THR 112   1.622 -14.016   2.472
  876    HG1  THR 112           1HG      THR 112  -0.420 -14.619   2.767
  877   1HG2  THR 112          1HG2      THR 112   0.367 -12.352   3.694
  878   2HG2  THR 112          2HG2      THR 112  -0.052 -11.536   2.188
  879   3HG2  THR 112          3HG2      THR 112   1.626 -11.591   2.722
  880    H    VAL 113           H        VAL 113   0.388 -14.279  -1.602
  881    HA   VAL 113           HA       VAL 113  -0.834 -11.961  -2.679
  882    HB   VAL 113           HB       VAL 113  -1.272 -14.863  -3.370
  883   1HG1  VAL 113          1HG1      VAL 113  -1.819 -13.141  -5.550
  884   2HG1  VAL 113          2HG1      VAL 113  -2.725 -12.536  -4.162
  885   3HG1  VAL 113          3HG1      VAL 113  -2.938 -14.204  -4.694
  886   1HG2  VAL 113          1HG2      VAL 113   0.150 -14.189  -5.346
  887   2HG2  VAL 113          2HG2      VAL 113   0.972 -14.305  -3.791
  888   3HG2  VAL 113          3HG2      VAL 113   0.538 -12.726  -4.443
  889    HA   PRO 114           HA       PRO 114  -5.072 -13.963  -1.230
  890   1HB   PRO 114          2HB       PRO 114  -3.936 -15.539   1.036
  891   2HB   PRO 114          1HB       PRO 114  -5.317 -15.904   0.002
  892   1HG   PRO 114          2HG       PRO 114  -3.034 -17.212  -0.335
  893   2HG   PRO 114          1HG       PRO 114  -3.993 -16.690  -1.736
  894   1HD   PRO 114          2HD       PRO 114  -1.503 -15.502  -0.595
  895   2HD   PRO 114          1HD       PRO 114  -1.992 -15.684  -2.292
  896    H    HIS 115           H        HIS 115  -2.250 -13.404   0.662
  897    HA   HIS 115           HA       HIS 115  -1.728 -12.164   2.485
  898   1HB   HIS 115          2HB       HIS 115  -2.292 -10.615   0.407
  899   2HB   HIS 115          1HB       HIS 115  -3.530 -10.015   1.506
  900    HD1  HIS 115           1HD      HIS 115  -2.252  -9.702   4.114
  901    HD2  HIS 115           2HD      HIS 115  -0.139  -9.013   0.608
  902    HE1  HIS 115           1HE      HIS 115  -0.312  -8.242   4.774
  903    HE2  HIS 115           2HE      HIS 115   0.949  -7.831   2.633
  904    H    TYR 116           H        TYR 116  -2.327 -12.579   4.464
  905    HA   TYR 116           HA       TYR 116  -5.153 -12.490   5.183
  906   1HB   TYR 116          2HB       TYR 116  -3.767 -14.373   5.972
  907   2HB   TYR 116          1HB       TYR 116  -2.745 -13.246   6.856
  908    HD1  TYR 116           1HD      TYR 116  -6.461 -13.489   6.563
  909    HD2  TYR 116           2HD      TYR 116  -3.066 -13.637   9.123
  910    HE1  TYR 116           1HE      TYR 116  -7.946 -13.679   8.513
  911    HE2  TYR 116           2HE      TYR 116  -4.543 -13.831  11.079
  912    HH   TYR 116           HH       TYR 116  -6.637 -14.033  11.794
  913    H    ASP 117           H        ASP 117  -5.826 -10.460   5.367
  914    HA   ASP 117           HA       ASP 117  -6.011  -8.911   7.390
  915   1HB   ASP 117          2HB       ASP 117  -4.210  -7.317   7.658
  916   2HB   ASP 117          1HB       ASP 117  -3.564  -8.943   7.828
  917    H    MET 118           H        MET 118  -5.331  -9.023   4.020
  918    HA   MET 118           HA       MET 118  -5.677  -6.425   3.184
  919   1HB   MET 118          2HB       MET 118  -6.741  -7.394   1.109
  920   2HB   MET 118          1HB       MET 118  -5.170  -8.067   1.533
  921   1HG   MET 118          2HG       MET 118  -6.308  -9.970   1.021
  922   2HG   MET 118          1HG       MET 118  -6.662  -9.871   2.745
  923   1HE   MET 118          1HE       MET 118  -8.898 -11.512   2.441
  924   2HE   MET 118          2HE       MET 118  -8.216 -11.660   0.821
  925   3HE   MET 118          3HE       MET 118  -9.932 -11.306   1.028
  926    H    LYS 119           H        LYS 119  -8.252  -8.780   3.769
  927    HA   LYS 119           HA       LYS 119 -10.406  -7.045   3.303
  928   1HB   LYS 119          2HB       LYS 119 -11.682  -8.780   4.665
  929   2HB   LYS 119          1HB       LYS 119 -10.865  -9.341   3.211
  930   1HG   LYS 119          2HG       LYS 119  -8.987 -10.119   4.600
  931   2HG   LYS 119          1HG       LYS 119  -9.879  -9.625   6.040
  932   1HD   LYS 119          2HD       LYS 119 -11.649 -11.197   5.513
  933   2HD   LYS 119          1HD       LYS 119 -10.827 -11.653   4.018
  934   1HE   LYS 119          2HE       LYS 119  -9.645 -11.951   6.764
  935   2HE   LYS 119          1HE       LYS 119 -10.482 -13.247   5.910
  936   1HZ   LYS 119          1HZ       LYS 119  -7.823 -12.688   5.755
  937   2HZ   LYS 119          2HZ       LYS 119  -8.434 -12.014   4.329
  938   3HZ   LYS 119          3HZ       LYS 119  -8.692 -13.650   4.669
  939    H    ASN 120           H        ASN 120  -8.196  -6.377   5.439
  940    HA   ASN 120           HA       ASN 120 -10.083  -5.477   7.505
  941   1HB   ASN 120          2HB       ASN 120  -8.708  -7.081   8.542
  942   2HB   ASN 120          1HB       ASN 120  -7.262  -6.497   7.732
  943   1HD2  ASN 120          1HD2      ASN 120  -5.935  -5.699   9.137
  944   2HD2  ASN 120          2HD2      ASN 120  -6.337  -4.669  10.468
  945    H    ARG 121           H        ARG 121  -8.010  -4.461   5.058
  946    HA   ARG 121           HA       ARG 121  -7.679  -1.811   6.310
  947   1HB   ARG 121          2HB       ARG 121  -6.068  -3.110   4.110
  948   2HB   ARG 121          1HB       ARG 121  -5.902  -1.428   4.579
  949   1HG   ARG 121          2HG       ARG 121  -4.147  -2.649   5.600
  950   2HG   ARG 121          1HG       ARG 121  -5.291  -2.203   6.868
  951   1HD   ARG 121          2HD       ARG 121  -6.207  -4.403   6.907
  952   2HD   ARG 121          1HD       ARG 121  -5.297  -4.859   5.467
  953    HE   ARG 121           HE       ARG 121  -3.602  -5.439   6.866
  954   1HH1  ARG 121          1HH1      ARG 121  -5.448  -2.918   8.421
  955   2HH1  ARG 121          2HH1      ARG 121  -4.465  -2.905   9.846
  956   1HH2  ARG 121          1HH2      ARG 121  -2.308  -5.423   8.734
  957   2HH2  ARG 121          2HH2      ARG 121  -2.680  -4.329  10.024
  958    H    GLY 122           H        GLY 122  -9.819  -1.159   5.687
  959   1HA   GLY 122          2HA       GLY 122 -10.730  -1.220   2.982
  960   2HA   GLY 122          1HA       GLY 122 -11.363  -0.194   4.274
  961    H    PHE 123           H        PHE 123  -8.280   0.523   4.441
  962    HA   PHE 123           HA       PHE 123  -8.599   2.870   2.767
  963   1HB   PHE 123          2HB       PHE 123  -6.474   3.620   3.925
  964   2HB   PHE 123          1HB       PHE 123  -7.895   3.421   4.940
  965    HD1  PHE 123           1HD      PHE 123  -4.722   1.807   3.927
  966    HD2  PHE 123           2HD      PHE 123  -7.870   1.989   6.780
  967    HE1  PHE 123           1HE      PHE 123  -3.441   0.341   5.431
  968    HE2  PHE 123           2HE      PHE 123  -6.596   0.525   8.289
  969    HZ   PHE 123           HZ       PHE 123  -4.375  -0.301   7.615
  970    H    MET 124           H        MET 124  -7.452  -0.140   2.271
  971    HA   MET 124           HA       MET 124  -5.614   0.836   0.194
  972   1HB   MET 124          2HB       MET 124  -5.211  -1.559   1.993
  973   2HB   MET 124          1HB       MET 124  -4.272  -1.262   0.536
  974   1HG   MET 124          2HG       MET 124  -3.430   0.810   1.468
  975   2HG   MET 124          1HG       MET 124  -4.421   0.585   2.906
  976   1HE   MET 124          1HE       MET 124  -2.218   1.332   3.761
  977   2HE   MET 124          2HE       MET 124  -0.717   0.657   3.123
  978   3HE   MET 124          3HE       MET 124  -1.326   0.127   4.692
  979    H    LEU 125           H        LEU 125  -8.051  -1.412   1.224
  980    HA   LEU 125           HA       LEU 125  -8.033  -2.909  -1.238
  981   1HB   LEU 125          2HB       LEU 125  -9.813  -2.957   1.194
  982   2HB   LEU 125          1HB       LEU 125 -10.046  -4.006  -0.186
  983    HG   LEU 125           HG       LEU 125  -8.833  -4.935   1.881
  984   1HD1  LEU 125          1HD1      LEU 125  -8.996  -6.102  -0.254
  985   2HD1  LEU 125          2HD1      LEU 125  -7.424  -6.359   0.500
  986   3HD1  LEU 125          3HD1      LEU 125  -7.582  -5.229  -0.843
  987   1HD2  LEU 125          1HD2      LEU 125  -6.682  -3.204   0.707
  988   2HD2  LEU 125          2HD2      LEU 125  -6.313  -4.657   1.636
  989   3HD2  LEU 125          3HD2      LEU 125  -7.204  -3.335   2.386
  990    H    TRP 126           H        TRP 126 -10.044  -0.390   0.283
  991    HA   TRP 126           HA       TRP 126 -12.044  -0.462  -1.740
  992   1HB   TRP 126          2HB       TRP 126 -12.718   0.621   0.255
  993   2HB   TRP 126          1HB       TRP 126 -11.267   1.616   0.301
  994    HD1  TRP 126           HD       TRP 126 -12.185   3.962   0.191
  995    HE1  TRP 126           1HE      TRP 126 -13.676   5.298  -1.427
  996    HE3  TRP 126           3HE      TRP 126 -13.698   0.146  -2.846
  997    HZ2  TRP 126           2HZ      TRP 126 -15.281   4.799  -3.691
  998    HZ3  TRP 126           3HZ      TRP 126 -15.215   0.658  -4.714
  999    HH2  TRP 126           HH       TRP 126 -15.990   2.936  -5.126
 1000    HA   PRO 127           HA       PRO 127  -9.480   3.273  -3.653
 1001   1HB   PRO 127          2HB       PRO 127  -6.766   2.969  -3.061
 1002   2HB   PRO 127          1HB       PRO 127  -7.831   4.183  -2.364
 1003   1HG   PRO 127          2HG       PRO 127  -6.928   1.589  -1.231
 1004   2HG   PRO 127          1HG       PRO 127  -7.245   3.126  -0.415
 1005   1HD   PRO 127          2HD       PRO 127  -8.976   1.074  -0.271
 1006   2HD   PRO 127          1HD       PRO 127  -9.518   2.760  -0.330
 1007    H    LEU 128           H        LEU 128  -8.106   0.102  -2.964
 1008    HA   LEU 128           HA       LEU 128  -7.068  -0.241  -5.651
 1009   1HB   LEU 128          2HB       LEU 128  -5.860  -1.242  -3.797
 1010   2HB   LEU 128          1HB       LEU 128  -7.286  -2.124  -3.295
 1011    HG   LEU 128           HG       LEU 128  -7.161  -3.543  -5.256
 1012   1HD1  LEU 128          1HD1      LEU 128  -5.068  -3.329  -6.698
 1013   2HD1  LEU 128          2HD1      LEU 128  -4.947  -1.687  -6.064
 1014   3HD1  LEU 128          3HD1      LEU 128  -6.371  -2.177  -6.983
 1015   1HD2  LEU 128          1HD2      LEU 128  -5.645  -4.863  -4.293
 1016   2HD2  LEU 128          2HD2      LEU 128  -5.392  -3.545  -3.148
 1017   3HD2  LEU 128          3HD2      LEU 128  -4.343  -3.704  -4.557
 1018    H    PHE 129           H        PHE 129  -9.970  -0.732  -3.923
 1019    HA   PHE 129           HA       PHE 129 -11.091  -2.836  -5.462
 1020   1HB   PHE 129          2HB       PHE 129 -11.941  -2.134  -3.214
 1021   2HB   PHE 129          1HB       PHE 129 -12.568  -0.667  -3.956
 1022    HD1  PHE 129           1HD      PHE 129 -14.542  -0.716  -5.348
 1023    HD2  PHE 129           2HD      PHE 129 -12.941  -4.300  -3.686
 1024    HE1  PHE 129           1HE      PHE 129 -16.629  -1.902  -5.882
 1025    HE2  PHE 129           2HE      PHE 129 -15.022  -5.489  -4.235
 1026    HZ   PHE 129           HZ       PHE 129 -16.859  -4.278  -5.398
 1027    H    GLU 130           H        GLU 130 -11.064   0.680  -5.676
 1028    HA   GLU 130           HA       GLU 130 -12.902   0.873  -7.841
 1029   1HB   GLU 130          2HB       GLU 130 -12.407   2.770  -6.342
 1030   2HB   GLU 130          1HB       GLU 130 -10.761   2.819  -6.956
 1031   1HG   GLU 130          2HG       GLU 130 -12.059   4.550  -7.997
 1032   2HG   GLU 130          1HG       GLU 130 -11.634   3.331  -9.198
 1033    H    ILE 131           H        ILE 131  -9.363   0.884  -7.607
 1034    HA   ILE 131           HA       ILE 131  -9.004   1.012 -10.456
 1035    HB   ILE 131           HB       ILE 131  -6.638   0.713 -10.013
 1036   1HG1  ILE 131          2HG1      ILE 131  -7.478   0.227  -7.134
 1037   2HG1  ILE 131          1HG1      ILE 131  -6.745  -0.945  -8.228
 1038   1HG2  ILE 131          1HG2      ILE 131  -8.224   2.824  -9.163
 1039   2HG2  ILE 131          2HG2      ILE 131  -6.485   2.858  -9.456
 1040   3HG2  ILE 131          3HG2      ILE 131  -7.100   2.550  -7.831
 1041   1HD1  ILE 131          1HD1      ILE 131  -5.494   1.017  -6.539
 1042   2HD1  ILE 131          2HD1      ILE 131  -4.982   1.204  -8.218
 1043   3HD1  ILE 131          3HD1      ILE 131  -4.783  -0.347  -7.400
 1044    H    ALA 132           H        ALA 132 -10.056  -1.355  -8.451
 1045    HA   ALA 132           HA       ALA 132  -9.986  -3.416 -10.348
 1046   1HB   ALA 132          1HB       ALA 132  -8.029  -4.424 -10.046
 1047   2HB   ALA 132          2HB       ALA 132  -8.395  -4.644  -8.335
 1048   3HB   ALA 132          3HB       ALA 132  -7.567  -3.185  -8.880
 1049    HA   PRO 133           HA       PRO 133 -12.887  -4.154  -6.884
 1050   1HB   PRO 133          2HB       PRO 133 -15.165  -4.006  -8.274
 1051   2HB   PRO 133          1HB       PRO 133 -14.271  -2.555  -7.811
 1052   1HG   PRO 133          2HG       PRO 133 -14.532  -3.841 -10.464
 1053   2HG   PRO 133          1HG       PRO 133 -14.237  -2.144 -10.060
 1054   1HD   PRO 133          2HD       PRO 133 -12.321  -4.118 -10.833
 1055   2HD   PRO 133          1HD       PRO 133 -12.012  -2.441 -10.353
 1056    H    GLU 134           H        GLU 134 -11.537  -6.131  -8.832
 1057    HA   GLU 134           HA       GLU 134 -13.245  -8.368  -8.158
 1058   1HB   GLU 134          2HB       GLU 134 -12.603  -7.699 -11.039
 1059   2HB   GLU 134          1HB       GLU 134 -13.243  -9.245 -10.503
 1060   1HG   GLU 134          2HG       GLU 134 -15.268  -8.155  -9.718
 1061   2HG   GLU 134          1HG       GLU 134 -14.624  -6.587 -10.205
 1062    H    LEU 135           H        LEU 135 -10.610  -7.512  -7.363
 1063    HA   LEU 135           HA       LEU 135  -9.123  -9.838  -8.347
 1064   1HB   LEU 135          2HB       LEU 135  -8.178  -7.006  -8.256
 1065   2HB   LEU 135          1HB       LEU 135  -7.048  -8.350  -8.250
 1066    HG   LEU 135           HG       LEU 135  -9.123  -7.840 -10.379
 1067   1HD1  LEU 135          1HD1      LEU 135  -7.585  -6.751 -11.623
 1068   2HD1  LEU 135          2HD1      LEU 135  -6.240  -7.701 -10.989
 1069   3HD1  LEU 135          3HD1      LEU 135  -6.905  -6.369 -10.040
 1070   1HD2  LEU 135          1HD2      LEU 135  -7.462 -10.128  -9.713
 1071   2HD2  LEU 135          2HD2      LEU 135  -7.204  -9.563 -11.366
 1072   3HD2  LEU 135          3HD2      LEU 135  -8.825 -10.003 -10.825
 1073    H    VAL 136           H        VAL 136  -9.540 -10.925  -6.531
 1074    HA   VAL 136           HA       VAL 136  -7.659 -10.638  -4.414
 1075    HB   VAL 136           HB       VAL 136 -10.521  -9.939  -3.893
 1076   1HG1  VAL 136          1HG1      VAL 136 -10.311 -11.909  -2.521
 1077   2HG1  VAL 136          2HG1      VAL 136 -10.205 -10.487  -1.482
 1078   3HG1  VAL 136          3HG1      VAL 136  -8.742 -11.372  -1.919
 1079   1HG2  VAL 136          1HG2      VAL 136  -9.267  -8.059  -3.712
 1080   2HG2  VAL 136          2HG2      VAL 136  -7.819  -8.938  -3.218
 1081   3HG2  VAL 136          3HG2      VAL 136  -9.114  -8.647  -2.056
 1082    H    PHE 137           H        PHE 137  -9.802 -12.276  -6.348
 1083    HA   PHE 137           HA       PHE 137 -10.798 -14.476  -5.448
 1084   1HB   PHE 137          2HB       PHE 137 -10.479 -14.149  -7.810
 1085   2HB   PHE 137          1HB       PHE 137  -8.751 -14.417  -7.647
 1086    HD1  PHE 137           1HD      PHE 137  -8.219 -16.340  -8.794
 1087    HD2  PHE 137           2HD      PHE 137 -11.686 -16.305  -6.325
 1088    HE1  PHE 137           1HE      PHE 137  -8.553 -18.736  -9.235
 1089    HE2  PHE 137           2HE      PHE 137 -12.023 -18.703  -6.759
 1090    HZ   PHE 137           HZ       PHE 137 -10.456 -19.921  -8.217
 1091    HA   PRO 138           HA       PRO 138  -6.220 -16.691  -4.905
 1092   1HB   PRO 138          2HB       PRO 138  -5.177 -14.512  -3.255
 1093   2HB   PRO 138          1HB       PRO 138  -4.409 -15.363  -4.598
 1094   1HG   PRO 138          2HG       PRO 138  -5.816 -12.807  -4.597
 1095   2HG   PRO 138          1HG       PRO 138  -4.773 -13.509  -5.844
 1096   1HD   PRO 138          2HD       PRO 138  -7.447 -13.202  -6.171
 1097   2HD   PRO 138          1HD       PRO 138  -6.537 -14.536  -6.912
 1098    H    ASP 139           H        ASP 139  -7.832 -14.384  -2.774
 1099    HA   ASP 139           HA       ASP 139  -7.811 -16.375  -0.616
 1100   1HB   ASP 139          2HB       ASP 139  -6.676 -14.156  -0.200
 1101   2HB   ASP 139          1HB       ASP 139  -8.256 -13.400  -0.337
 1102    H    GLY 140           H        GLY 140  -9.842 -14.101  -2.438
 1103   1HA   GLY 140          2HA       GLY 140 -12.165 -15.685  -1.717
 1104   2HA   GLY 140          1HA       GLY 140 -12.163 -14.050  -1.088
 1105    H    GLU 141           H        GLU 141 -11.791 -12.309  -2.821
 1106    HA   GLU 141           HA       GLU 141 -12.531 -12.883  -5.509
 1107   1HB   GLU 141          2HB       GLU 141 -14.730 -11.473  -5.216
 1108   2HB   GLU 141          1HB       GLU 141 -14.736 -13.223  -4.991
 1109   1HG   GLU 141          2HG       GLU 141 -14.513 -12.854  -2.552
 1110   2HG   GLU 141          1HG       GLU 141 -14.625 -11.117  -2.839
 1111    H    MET 142           H        MET 142 -13.658 -10.156  -3.520
 1112    HA   MET 142           HA       MET 142 -11.939  -8.427  -5.148
 1113   1HB   MET 142          2HB       MET 142 -14.438  -7.612  -3.678
 1114   2HB   MET 142          1HB       MET 142 -13.506  -6.639  -4.806
 1115   1HG   MET 142          2HG       MET 142 -14.093  -8.091  -6.616
 1116   2HG   MET 142          1HG       MET 142 -14.895  -9.178  -5.497
 1117   1HE   MET 142          1HE       MET 142 -17.913  -8.458  -7.074
 1118   2HE   MET 142          2HE       MET 142 -16.300  -8.969  -7.573
 1119   3HE   MET 142          3HE       MET 142 -16.971  -7.454  -8.176
 1120    H    LEU 143           H        LEU 143 -11.366  -6.407  -4.091
 1121    HA   LEU 143           HA       LEU 143  -9.819  -6.919  -1.788
 1122   1HB   LEU 143          2HB       LEU 143 -10.592  -4.301  -3.077
 1123   2HB   LEU 143          1HB       LEU 143  -9.363  -4.477  -1.847
 1124    HG   LEU 143           HG       LEU 143  -8.421  -4.197  -4.076
 1125   1HD1  LEU 143          1HD1      LEU 143  -6.873  -5.275  -2.810
 1126   2HD1  LEU 143          2HD1      LEU 143  -7.138  -6.511  -4.041
 1127   3HD1  LEU 143          3HD1      LEU 143  -7.937  -6.641  -2.475
 1128   1HD2  LEU 143          1HD2      LEU 143  -9.583  -6.882  -4.769
 1129   2HD2  LEU 143          2HD2      LEU 143  -8.646  -5.810  -5.809
 1130   3HD2  LEU 143          3HD2      LEU 143 -10.269  -5.345  -5.298
 1131    H    ARG 144           H        ARG 144 -12.185  -4.437  -2.235
 1132    HA   ARG 144           HA       ARG 144 -12.690  -3.990   0.487
 1133   1HB   ARG 144          2HB       ARG 144 -12.934  -2.223  -1.125
 1134   2HB   ARG 144          1HB       ARG 144 -14.112  -3.147  -2.017
 1135   1HG   ARG 144          2HG       ARG 144 -15.587  -3.043   0.009
 1136   2HG   ARG 144          1HG       ARG 144 -14.441  -1.876   0.678
 1137   1HD   ARG 144          2HD       ARG 144 -14.807  -0.403  -1.224
 1138   2HD   ARG 144          1HD       ARG 144 -15.908  -1.577  -1.943
 1139    HE   ARG 144           HE       ARG 144 -16.816  -0.911   0.634
 1140   1HH1  ARG 144          1HH1      ARG 144 -16.492   0.476  -2.546
 1141   2HH1  ARG 144          2HH1      ARG 144 -17.829   1.557  -2.352
 1142   1HH2  ARG 144          1HH2      ARG 144 -18.582   0.508   0.895
 1143   2HH2  ARG 144          2HH2      ARG 144 -19.017   1.577  -0.396
 1144    H    GLN 145           H        GLN 145 -13.940  -6.243  -1.759
 1145    HA   GLN 145           HA       GLN 145 -16.538  -6.605  -1.086
 1146   1HB   GLN 145          2HB       GLN 145 -14.750  -8.014  -2.523
 1147   2HB   GLN 145          1HB       GLN 145 -14.974  -9.103  -1.159
 1148   1HG   GLN 145          2HG       GLN 145 -16.496  -9.551  -3.033
 1149   2HG   GLN 145          1HG       GLN 145 -17.318  -9.164  -1.515
 1150   1HE2  GLN 145          1HE2      GLN 145 -15.822  -6.497  -2.928
 1151   2HE2  GLN 145          2HE2      GLN 145 -17.222  -5.771  -3.612
 1152    H    ILE 146           H        ILE 146 -13.940  -8.416   0.480
 1153    HA   ILE 146           HA       ILE 146 -15.656  -9.197   2.661
 1154    HB   ILE 146           HB       ILE 146 -12.659  -9.418   2.504
 1155   1HG1  ILE 146          2HG1      ILE 146 -13.262 -11.833   1.691
 1156   2HG1  ILE 146          1HG1      ILE 146 -14.764 -11.082   1.162
 1157   1HG2  ILE 146          1HG2      ILE 146 -13.708 -11.674   3.728
 1158   2HG2  ILE 146          2HG2      ILE 146 -14.708 -10.351   4.327
 1159   3HG2  ILE 146          3HG2      ILE 146 -12.957 -10.293   4.529
 1160   1HD1  ILE 146          1HD1      ILE 146 -12.617  -9.452   0.285
 1161   2HD1  ILE 146          2HD1      ILE 146 -13.761 -10.392  -0.680
 1162   3HD1  ILE 146          3HD1      ILE 146 -12.251 -11.127  -0.138
 1163    H    LEU 147           H        LEU 147 -13.108  -7.017   1.928
 1164    HA   LEU 147           HA       LEU 147 -12.425  -6.078   4.450
 1165   1HB   LEU 147          2HB       LEU 147 -10.988  -5.818   2.652
 1166   2HB   LEU 147          1HB       LEU 147 -12.232  -5.155   1.623
 1167    HG   LEU 147           HG       LEU 147 -10.334  -3.685   2.466
 1168   1HD1  LEU 147          1HD1      LEU 147 -11.903  -2.595   1.199
 1169   2HD1  LEU 147          2HD1      LEU 147 -12.112  -1.774   2.751
 1170   3HD1  LEU 147          3HD1      LEU 147 -13.233  -3.047   2.271
 1171   1HD2  LEU 147          1HD2      LEU 147 -11.481  -4.397   4.931
 1172   2HD2  LEU 147          2HD2      LEU 147 -11.821  -2.686   4.674
 1173   3HD2  LEU 147          3HD2      LEU 147 -10.158  -3.272   4.629
 1174    H    HIS 148           H        HIS 148 -15.174  -5.314   2.489
 1175    HA   HIS 148           HA       HIS 148 -15.758  -2.843   3.891
 1176   1HB   HIS 148          2HB       HIS 148 -16.276  -2.982   1.510
 1177   2HB   HIS 148          1HB       HIS 148 -17.311  -4.373   1.789
 1178    HD1  HIS 148           1HD      HIS 148 -18.923  -2.563   0.425
 1179    HD2  HIS 148           2HD      HIS 148 -18.158  -1.846   4.445
 1180    HE1  HIS 148           1HE      HIS 148 -20.728  -0.986   1.181
 1181    HE2  HIS 148           2HE      HIS 148 -20.294  -0.633   3.638
 1182    H    THR 149           H        THR 149 -17.075  -6.091   3.555
 1183    HA   THR 149           HA       THR 149 -19.209  -5.672   5.377
 1184    HB   THR 149           HB       THR 149 -19.606  -7.337   3.856
 1185    HG1  THR 149           1HG      THR 149 -19.315  -9.393   5.162
 1186   1HG2  THR 149          1HG2      THR 149 -17.846  -9.382   3.930
 1187   2HG2  THR 149          2HG2      THR 149 -16.782  -7.986   4.116
 1188   3HG2  THR 149          3HG2      THR 149 -17.857  -8.096   2.719
 1189    H    ARG 150           H        ARG 150 -15.876  -6.639   5.839
 1190    HA   ARG 150           HA       ARG 150 -16.564  -7.250   8.632
 1191   1HB   ARG 150          2HB       ARG 150 -14.795  -8.793   8.748
 1192   2HB   ARG 150          1HB       ARG 150 -15.613  -9.097   7.220
 1193   1HG   ARG 150          2HG       ARG 150 -13.897  -7.849   6.042
 1194   2HG   ARG 150          1HG       ARG 150 -13.058  -7.552   7.568
 1195   1HD   ARG 150          2HD       ARG 150 -13.573 -10.218   6.266
 1196   2HD   ARG 150          1HD       ARG 150 -12.017  -9.405   6.423
 1197    HE   ARG 150           HE       ARG 150 -13.216 -11.080   8.334
 1198   1HH1  ARG 150          1HH1      ARG 150 -11.469  -8.070   8.123
 1199   2HH1  ARG 150          2HH1      ARG 150 -10.820  -8.188   9.724
 1200   1HH2  ARG 150          1HH2      ARG 150 -12.362 -11.243  10.436
 1201   2HH2  ARG 150          2HH2      ARG 150 -11.326  -9.992  11.037
 1202    H    ALA 151           H        ALA 151 -14.855  -4.883   6.765
 1203    HA   ALA 151           HA       ALA 151 -13.475  -4.143   9.256
 1204   1HB   ALA 151          1HB       ALA 151 -11.741  -3.104   7.611
 1205   2HB   ALA 151          2HB       ALA 151 -12.394  -4.291   6.482
 1206   3HB   ALA 151          3HB       ALA 151 -11.675  -4.823   8.002
 1207    H    PHE 152           H        PHE 152 -12.980  -2.173   6.505
 1208    HA   PHE 152           HA       PHE 152 -14.398  -0.022   7.772
 1209   1HB   PHE 152          2HB       PHE 152 -12.673  -0.242   5.313
 1210   2HB   PHE 152          1HB       PHE 152 -13.440   1.242   5.828
 1211    HD1  PHE 152           1HD      PHE 152 -11.851   2.696   6.688
 1212    HD2  PHE 152           2HD      PHE 152 -11.627  -1.437   7.658
 1213    HE1  PHE 152           1HE      PHE 152  -9.939   3.152   8.167
 1214    HE2  PHE 152           2HE      PHE 152  -9.714  -0.992   9.138
 1215    HZ   PHE 152           HZ       PHE 152  -8.875   1.328   9.397
 1216    H    ASP 153           H        ASP 153 -15.461   1.510   5.985
 1217    HA   ASP 153           HA       ASP 153 -17.477  -0.156   4.644
 1218   1HB   ASP 153          2HB       ASP 153 -17.698   2.700   5.629
 1219   2HB   ASP 153          1HB       ASP 153 -18.977   1.800   4.816
 1220    H    LYS 154           H        LYS 154 -15.203   2.455   4.295
 1221    HA   LYS 154           HA       LYS 154 -14.804   2.113   1.567
 1222   1HB   LYS 154          2HB       LYS 154 -16.924   2.935   1.009
 1223   2HB   LYS 154          1HB       LYS 154 -16.893   4.151   2.277
 1224   1HG   LYS 154          2HG       LYS 154 -15.072   5.302   0.993
 1225   2HG   LYS 154          1HG       LYS 154 -15.378   4.174  -0.326
 1226   1HD   LYS 154          2HD       LYS 154 -16.523   6.366  -0.568
 1227   2HD   LYS 154          1HD       LYS 154 -17.621   4.982  -0.574
 1228   1HE   LYS 154          2HE       LYS 154 -18.508   6.819   0.773
 1229   2HE   LYS 154          1HE       LYS 154 -18.163   5.407   1.772
 1230   1HZ   LYS 154          1HZ       LYS 154 -16.228   7.626   1.474
 1231   2HZ   LYS 154          2HZ       LYS 154 -16.264   6.420   2.659
 1232   3HZ   LYS 154          3HZ       LYS 154 -17.433   7.642   2.662
 1233    H    LEU 155           H        LEU 155 -15.301   5.063   3.446
 1234    HA   LEU 155           HA       LEU 155 -13.742   6.452   4.484
 1235   1HB   LEU 155          2HB       LEU 155 -11.671   5.160   2.692
 1236   2HB   LEU 155          1HB       LEU 155 -11.351   6.390   3.898
 1237    HG   LEU 155           HG       LEU 155 -12.185   3.512   4.376
 1238   1HD1  LEU 155          1HD1      LEU 155  -9.752   4.299   3.930
 1239   2HD1  LEU 155          2HD1      LEU 155 -10.089   3.215   5.280
 1240   3HD1  LEU 155          3HD1      LEU 155  -9.843   4.937   5.571
 1241   1HD2  LEU 155          1HD2      LEU 155 -12.384   5.917   6.127
 1242   2HD2  LEU 155          2HD2      LEU 155 -11.810   4.412   6.848
 1243   3HD2  LEU 155          3HD2      LEU 155 -13.390   4.470   6.068
 1244    H    ASN 156           H        ASN 156 -12.708   8.552   3.640
 1245    HA   ASN 156           HA       ASN 156 -13.725   9.036   0.920
 1246   1HB   ASN 156          2HB       ASN 156 -14.444  11.211   1.552
 1247   2HB   ASN 156          1HB       ASN 156 -15.034  10.104   2.789
 1248   1HD2  ASN 156          1HD2      ASN 156 -14.612  10.574   4.822
 1249   2HD2  ASN 156          2HD2      ASN 156 -13.448  11.725   5.363
 1250    H    LYS 157           H        LYS 157 -12.569  10.116  -0.495
 1251    HA   LYS 157           HA       LYS 157  -9.834  10.149  -0.462
 1252   1HB   LYS 157          2HB       LYS 157 -11.666  11.977  -1.997
 1253   2HB   LYS 157          1HB       LYS 157  -9.957  11.772  -2.328
 1254   1HG   LYS 157          2HG       LYS 157 -10.217   9.655  -3.165
 1255   2HG   LYS 157          1HG       LYS 157 -11.708   9.359  -2.277
 1256   1HD   LYS 157          2HD       LYS 157 -12.818  11.051  -3.760
 1257   2HD   LYS 157          1HD       LYS 157 -11.333  11.091  -4.714
 1258   1HE   LYS 157          2HE       LYS 157 -11.543   8.700  -5.157
 1259   2HE   LYS 157          1HE       LYS 157 -13.013   8.638  -4.184
 1260   1HZ   LYS 157          1HZ       LYS 157 -14.100   9.068  -6.055
 1261   2HZ   LYS 157          2HZ       LYS 157 -12.681   9.418  -6.905
 1262   3HZ   LYS 157          3HZ       LYS 157 -13.455  10.632  -6.017
 1263    H    TRP 158           H        TRP 158  -8.284  11.445   0.211
 1264    HA   TRP 158           HA       TRP 158  -8.584  13.017   2.407
 1265   1HB   TRP 158          2HB       TRP 158  -6.464  12.115   1.275
 1266   2HB   TRP 158          1HB       TRP 158  -6.475  13.597   0.333
 1267    HD1  TRP 158           HD       TRP 158  -7.092  13.142   4.140
 1268    HE1  TRP 158           1HE      TRP 158  -5.448  14.673   5.395
 1269    HE3  TRP 158           3HE      TRP 158  -4.502  15.007   0.143
 1270    HZ2  TRP 158           2HZ      TRP 158  -3.336  16.438   4.775
 1271    HZ3  TRP 158           3HZ      TRP 158  -2.686  16.612   0.563
 1272    HH2  TRP 158           HH       TRP 158  -2.116  17.313   2.832
  Start of MODEL   17
    1   1H    THR   1          1HT       THR   1   3.834  -8.486 -14.556
    2   2H    THR   1          2HT       THR   1   3.035  -9.623 -15.522
    3   3H    THR   1          3HT       THR   1   4.455 -10.053 -14.710
    4    HA   THR   1           HA       THR   1   2.030 -10.625 -13.808
    5    HB   THR   1           HB       THR   1   4.510  -9.938 -12.217
    6    HG1  THR   1           1HG      THR   1   3.811 -12.002 -13.854
    7   1HG2  THR   1          1HG2      THR   1   2.503 -10.169 -10.764
    8   2HG2  THR   1          2HG2      THR   1   3.751 -11.387 -10.485
    9   3HG2  THR   1          3HG2      THR   1   2.302 -11.805 -11.398
   10    H    VAL   2           H        VAL   2   0.304  -9.351 -13.472
   11    HA   VAL   2           HA       VAL   2   0.479  -6.652 -12.617
   12    HB   VAL   2           HB       VAL   2  -1.439  -7.367 -13.898
   13   1HG1  VAL   2          1HG1      VAL   2  -2.449  -9.309 -13.567
   14   2HG1  VAL   2          2HG1      VAL   2  -2.992  -8.771 -11.978
   15   3HG1  VAL   2          3HG1      VAL   2  -1.438  -9.588 -12.150
   16   1HG2  VAL   2          1HG2      VAL   2  -1.564  -5.612 -11.962
   17   2HG2  VAL   2          2HG2      VAL   2  -2.643  -6.801 -11.232
   18   3HG2  VAL   2          3HG2      VAL   2  -3.027  -6.114 -12.810
   19    H    ALA   3           H        ALA   3   1.388  -6.258 -10.698
   20    HA   ALA   3           HA       ALA   3   0.454  -7.815  -8.385
   21   1HB   ALA   3          1HB       ALA   3   2.677  -6.404  -7.549
   22   2HB   ALA   3          2HB       ALA   3   3.071  -6.872  -9.204
   23   3HB   ALA   3          3HB       ALA   3   2.631  -8.103  -8.020
   24    H    TYR   4           H        TYR   4  -0.565  -6.828  -6.725
   25    HA   TYR   4           HA       TYR   4  -1.106  -3.976  -7.055
   26   1HB   TYR   4          2HB       TYR   4  -3.091  -5.227  -6.605
   27   2HB   TYR   4          1HB       TYR   4  -2.340  -6.039  -5.229
   28    HD1  TYR   4           1HD      TYR   4  -3.075  -5.318  -3.174
   29    HD2  TYR   4           2HD      TYR   4  -2.845  -2.499  -6.348
   30    HE1  TYR   4           1HE      TYR   4  -3.963  -3.579  -1.683
   31    HE2  TYR   4           2HE      TYR   4  -3.726  -0.749  -4.863
   32    HH   TYR   4           HH       TYR   4  -5.223  -1.403  -1.953
   33    H    ILE   5           H        ILE   5   0.287  -2.645  -6.203
   34    HA   ILE   5           HA       ILE   5   1.650  -3.328  -3.701
   35    HB   ILE   5           HB       ILE   5   2.271  -0.866  -5.309
   36   1HG1  ILE   5          2HG1      ILE   5   3.275  -3.652  -5.928
   37   2HG1  ILE   5          1HG1      ILE   5   2.115  -2.768  -6.900
   38   1HG2  ILE   5          1HG2      ILE   5   4.622  -1.816  -4.522
   39   2HG2  ILE   5          2HG2      ILE   5   3.614  -2.605  -3.309
   40   3HG2  ILE   5          3HG2      ILE   5   3.602  -0.848  -3.457
   41   1HD1  ILE   5          1HD1      ILE   5   5.028  -2.516  -6.738
   42   2HD1  ILE   5          2HD1      ILE   5   4.147  -0.990  -6.798
   43   3HD1  ILE   5          3HD1      ILE   5   3.927  -2.187  -8.075
   44    H    ALA   6           H        ALA   6   0.368  -2.783  -2.026
   45    HA   ALA   6           HA       ALA   6  -1.336  -0.464  -2.099
   46   1HB   ALA   6          1HB       ALA   6  -1.049  -2.828  -0.469
   47   2HB   ALA   6          2HB       ALA   6  -2.444  -1.769  -0.678
   48   3HB   ALA   6          3HB       ALA   6  -1.219  -1.385   0.531
   49    H    ILE   7           H        ILE   7  -0.344   1.475  -2.021
   50    HA   ILE   7           HA       ILE   7   1.912   1.817  -0.183
   51    HB   ILE   7           HB       ILE   7   2.228   2.557  -2.514
   52   1HG1  ILE   7          2HG1      ILE   7   2.192   4.865  -0.558
   53   2HG1  ILE   7          1HG1      ILE   7   3.446   3.632  -0.629
   54   1HG2  ILE   7          1HG2      ILE   7   0.090   4.586  -1.882
   55   2HG2  ILE   7          2HG2      ILE   7  -0.068   3.226  -2.995
   56   3HG2  ILE   7          3HG2      ILE   7   1.065   4.530  -3.351
   57   1HD1  ILE   7          1HD1      ILE   7   4.513   4.769  -2.194
   58   2HD1  ILE   7          2HD1      ILE   7   3.308   6.049  -2.048
   59   3HD1  ILE   7          3HD1      ILE   7   3.084   4.756  -3.227
   60    H    GLY   8           H        GLY   8   1.840   3.088   1.574
   61   1HA   GLY   8          2HA       GLY   8  -0.289   5.011   1.953
   62   2HA   GLY   8          1HA       GLY   8  -0.374   3.608   3.008
   63    H    SER   9           H        SER   9   0.765   6.704   2.725
   64    HA   SER   9           HA       SER   9   3.039   6.278   4.507
   65   1HB   SER   9          2HB       SER   9   2.133   8.827   3.157
   66   2HB   SER   9          1HB       SER   9   3.637   8.589   4.043
   67    HG   SER   9           HG       SER   9   4.270   7.092   2.473
   68    H    ASN  10           H        ASN  10   3.345   8.075   6.128
   69    HA   ASN  10           HA       ASN  10   0.869   8.795   7.520
   70   1HB   ASN  10          2HB       ASN  10   3.275   7.458   8.782
   71   2HB   ASN  10          1HB       ASN  10   1.870   8.065   9.656
   72   1HD2  ASN  10          1HD2      ASN  10   3.260   5.356   8.559
   73   2HD2  ASN  10          2HD2      ASN  10   1.868   4.358   8.336
   74    H    LEU  11           H        LEU  11   1.774  10.061   9.668
   75    HA   LEU  11           HA       LEU  11   2.762  11.931  10.508
   76   1HB   LEU  11          2HB       LEU  11   4.848  10.734   9.787
   77   2HB   LEU  11          1HB       LEU  11   4.777  11.625   8.283
   78    HG   LEU  11           HG       LEU  11   6.387  12.474  10.049
   79   1HD1  LEU  11          1HD1      LEU  11   6.306  14.505   9.102
   80   2HD1  LEU  11          2HD1      LEU  11   4.604  14.740   9.498
   81   3HD1  LEU  11          3HD1      LEU  11   5.056  13.774   8.094
   82   1HD2  LEU  11          1HD2      LEU  11   5.342  12.463  12.083
   83   2HD2  LEU  11          2HD2      LEU  11   3.789  12.964  11.415
   84   3HD2  LEU  11          3HD2      LEU  11   5.086  14.142  11.611
   85    H    ALA  12           H        ALA  12   2.153  13.990  10.329
   86    HA   ALA  12           HA       ALA  12   0.522  15.045   8.474
   87   1HB   ALA  12          1HB       ALA  12   2.098  16.084  10.583
   88   2HB   ALA  12          2HB       ALA  12   0.658  16.784   9.843
   89   3HB   ALA  12          3HB       ALA  12   2.255  17.176   9.207
   90    H    SER  13           H        SER  13   0.587  15.742   6.423
   91    HA   SER  13           HA       SER  13   1.361  16.173   4.326
   92   1HB   SER  13          2HB       SER  13   2.367  18.151   5.380
   93   2HB   SER  13          1HB       SER  13   3.789  17.204   5.822
   94    HG   SER  13           HG       SER  13   3.740  16.787   3.363
   95    HA   PRO  14           HA       PRO  14   4.074  12.347   4.591
   96   1HB   PRO  14          2HB       PRO  14   1.874  10.776   3.584
   97   2HB   PRO  14          1HB       PRO  14   2.704  10.636   5.133
   98   1HG   PRO  14          2HG       PRO  14   0.107  11.467   4.856
   99   2HG   PRO  14          1HG       PRO  14   1.148  11.900   6.222
  100   1HD   PRO  14          2HD       PRO  14   0.431  13.499   3.800
  101   2HD   PRO  14          1HD       PRO  14   0.613  14.025   5.488
  102    H    LEU  15           H        LEU  15   2.704  14.283   2.401
  103    HA   LEU  15           HA       LEU  15   2.560  12.948  -0.010
  104   1HB   LEU  15          2HB       LEU  15   1.930  15.325   0.443
  105   2HB   LEU  15          1HB       LEU  15   3.633  15.736   0.411
  106    HG   LEU  15           HG       LEU  15   3.736  14.941  -1.947
  107   1HD1  LEU  15          1HD1      LEU  15   1.009  15.100  -2.639
  108   2HD1  LEU  15          2HD1      LEU  15   1.132  13.960  -1.299
  109   3HD1  LEU  15          3HD1      LEU  15   2.085  13.709  -2.762
  110   1HD2  LEU  15          1HD2      LEU  15   3.580  17.255  -1.735
  111   2HD2  LEU  15          2HD2      LEU  15   1.925  17.187  -1.130
  112   3HD2  LEU  15          3HD2      LEU  15   2.258  16.854  -2.830
  113    H    GLU  16           H        GLU  16   5.411  14.394   1.535
  114    HA   GLU  16           HA       GLU  16   7.239  13.974  -0.520
  115   1HB   GLU  16          2HB       GLU  16   7.710  13.976   2.463
  116   2HB   GLU  16          1HB       GLU  16   8.975  14.095   1.245
  117   1HG   GLU  16          2HG       GLU  16   7.995  16.186   0.439
  118   2HG   GLU  16          1HG       GLU  16   6.742  16.067   1.673
  119    H    GLN  17           H        GLN  17   6.228  11.772   2.070
  120    HA   GLN  17           HA       GLN  17   8.157   9.767   1.413
  121   1HB   GLN  17          2HB       GLN  17   5.589   9.503   2.980
  122   2HB   GLN  17          1HB       GLN  17   6.910   8.340   2.954
  123   1HG   GLN  17          2HG       GLN  17   6.970  11.135   4.053
  124   2HG   GLN  17          1HG       GLN  17   7.045   9.619   4.959
  125   1HE2  GLN  17          1HE2      GLN  17   8.992   9.218   5.686
  126   2HE2  GLN  17          2HE2      GLN  17  10.479   9.543   4.868
  127    H    VAL  18           H        VAL  18   4.622   9.725   1.144
  128    HA   VAL  18           HA       VAL  18   4.260   7.457  -0.321
  129    HB   VAL  18           HB       VAL  18   2.388   8.827   0.452
  130   1HG1  VAL  18          1HG1      VAL  18   1.659  10.779  -0.876
  131   2HG1  VAL  18          2HG1      VAL  18   3.164  10.684  -1.790
  132   3HG1  VAL  18          3HG1      VAL  18   3.203  11.035  -0.063
  133   1HG2  VAL  18          1HG2      VAL  18   0.942   8.081  -1.133
  134   2HG2  VAL  18          2HG2      VAL  18   2.385   7.219  -1.666
  135   3HG2  VAL  18          3HG2      VAL  18   1.904   8.714  -2.470
  136    H    ASN  19           H        ASN  19   5.264  10.605  -1.584
  137    HA   ASN  19           HA       ASN  19   5.267   9.788  -4.328
  138   1HB   ASN  19          2HB       ASN  19   6.435  12.158  -2.872
  139   2HB   ASN  19          1HB       ASN  19   6.633  11.924  -4.610
  140   1HD2  ASN  19          1HD2      ASN  19   5.059  13.765  -2.647
  141   2HD2  ASN  19          2HD2      ASN  19   3.520  13.897  -3.421
  142    H    ALA  20           H        ALA  20   7.565   9.805  -1.721
  143    HA   ALA  20           HA       ALA  20   9.983   9.676  -3.020
  144   1HB   ALA  20          1HB       ALA  20  10.065   7.870  -0.825
  145   2HB   ALA  20          2HB       ALA  20   9.012   9.222  -0.410
  146   3HB   ALA  20          3HB       ALA  20  10.672   9.523  -0.926
  147    H    ALA  21           H        ALA  21   8.099   6.809  -1.978
  148    HA   ALA  21           HA       ALA  21   9.789   5.062  -3.537
  149   1HB   ALA  21          1HB       ALA  21   7.181   4.057  -2.551
  150   2HB   ALA  21          2HB       ALA  21   8.351   4.571  -1.336
  151   3HB   ALA  21          3HB       ALA  21   8.778   3.315  -2.496
  152    H    LEU  22           H        LEU  22   6.842   6.769  -3.842
  153    HA   LEU  22           HA       LEU  22   5.663   5.451  -6.024
  154   1HB   LEU  22          2HB       LEU  22   4.307   7.006  -4.940
  155   2HB   LEU  22          1HB       LEU  22   5.578   8.210  -4.867
  156    HG   LEU  22           HG       LEU  22   5.348   8.471  -7.335
  157   1HD1  LEU  22          1HD1      LEU  22   4.284   6.610  -8.163
  158   2HD1  LEU  22          2HD1      LEU  22   2.937   7.746  -8.062
  159   3HD1  LEU  22          3HD1      LEU  22   3.159   6.527  -6.806
  160   1HD2  LEU  22          1HD2      LEU  22   4.408  10.124  -5.893
  161   2HD2  LEU  22          2HD2      LEU  22   3.011   9.104  -5.548
  162   3HD2  LEU  22          3HD2      LEU  22   3.230   9.784  -7.160
  163    H    LYS  23           H        LYS  23   8.289   7.638  -5.641
  164    HA   LYS  23           HA       LYS  23   8.622   8.458  -8.341
  165   1HB   LYS  23          2HB       LYS  23   9.562   9.768  -6.552
  166   2HB   LYS  23          1HB       LYS  23  10.469   8.390  -5.950
  167   1HG   LYS  23          2HG       LYS  23  11.776   8.416  -8.072
  168   2HG   LYS  23          1HG       LYS  23  10.950   9.921  -8.492
  169   1HD   LYS  23          2HD       LYS  23  11.801  10.965  -6.455
  170   2HD   LYS  23          1HD       LYS  23  12.607   9.459  -6.012
  171   1HE   LYS  23          2HE       LYS  23  13.180  11.130  -8.461
  172   2HE   LYS  23          1HE       LYS  23  14.175  11.046  -7.008
  173   1HZ   LYS  23          1HZ       LYS  23  15.014   9.054  -7.591
  174   2HZ   LYS  23          2HZ       LYS  23  14.601   9.549  -9.155
  175   3HZ   LYS  23          3HZ       LYS  23  13.577   8.511  -8.298
  176    H    ALA  24           H        ALA  24  10.174   6.016  -6.285
  177    HA   ALA  24           HA       ALA  24  11.753   4.939  -8.429
  178   1HB   ALA  24          1HB       ALA  24  11.770   4.746  -5.643
  179   2HB   ALA  24          2HB       ALA  24  12.866   3.951  -6.774
  180   3HB   ALA  24          3HB       ALA  24  11.414   3.118  -6.219
  181    H    LEU  25           H        LEU  25   8.530   4.585  -7.390
  182    HA   LEU  25           HA       LEU  25   8.179   1.901  -8.404
  183   1HB   LEU  25          2HB       LEU  25   6.827   3.039  -6.503
  184   2HB   LEU  25          1HB       LEU  25   5.947   3.822  -7.803
  185    HG   LEU  25           HG       LEU  25   5.328   1.581  -8.679
  186   1HD1  LEU  25          1HD1      LEU  25   6.441  -0.205  -7.980
  187   2HD1  LEU  25          2HD1      LEU  25   5.727   0.010  -6.382
  188   3HD1  LEU  25          3HD1      LEU  25   7.281   0.751  -6.759
  189   1HD2  LEU  25          1HD2      LEU  25   4.492   2.759  -6.134
  190   2HD2  LEU  25          2HD2      LEU  25   4.067   1.058  -6.317
  191   3HD2  LEU  25          3HD2      LEU  25   3.528   2.236  -7.514
  192    H    GLY  26           H        GLY  26   8.200   5.088  -9.633
  193   1HA   GLY  26          2HA       GLY  26   6.465   4.614 -11.882
  194   2HA   GLY  26          1HA       GLY  26   7.557   5.985 -11.669
  195    H    ASP  27           H        ASP  27   9.856   4.455 -11.131
  196    HA   ASP  27           HA       ASP  27  10.321   3.032 -13.652
  197   1HB   ASP  27          2HB       ASP  27  12.114   5.109 -12.383
  198   2HB   ASP  27          1HB       ASP  27  12.576   4.076 -13.723
  199    H    ILE  28           H        ILE  28  10.439   1.022 -12.839
  200    HA   ILE  28           HA       ILE  28  12.285   0.523 -10.594
  201    HB   ILE  28           HB       ILE  28  10.165  -1.371 -11.578
  202   1HG1  ILE  28          2HG1      ILE  28   9.943   0.771  -9.454
  203   2HG1  ILE  28          1HG1      ILE  28   8.992   0.645 -10.929
  204   1HG2  ILE  28          1HG2      ILE  28  11.740  -1.178  -9.027
  205   2HG2  ILE  28          2HG2      ILE  28  11.811  -2.449 -10.247
  206   3HG2  ILE  28          3HG2      ILE  28  10.366  -2.259  -9.255
  207   1HD1  ILE  28          1HD1      ILE  28   7.537  -0.126  -9.326
  208   2HD1  ILE  28          2HD1      ILE  28   8.805  -0.943  -8.415
  209   3HD1  ILE  28          3HD1      ILE  28   8.234  -1.625  -9.937
  210    HA   PRO  29           HA       PRO  29  15.449  -1.583 -12.882
  211   1HB   PRO  29          2HB       PRO  29  14.248  -3.890 -11.370
  212   2HB   PRO  29          1HB       PRO  29  15.940  -3.569 -11.740
  213   1HG   PRO  29          2HG       PRO  29  14.860  -2.893  -9.369
  214   2HG   PRO  29          1HG       PRO  29  16.132  -1.928 -10.134
  215   1HD   PRO  29          2HD       PRO  29  13.344  -1.239  -9.679
  216   2HD   PRO  29          1HD       PRO  29  14.669  -0.204 -10.250
  217    H    GLU  30           H        GLU  30  12.406  -3.465 -12.573
  218    HA   GLU  30           HA       GLU  30  12.463  -3.872 -15.483
  219   1HB   GLU  30          2HB       GLU  30  11.910  -6.045 -13.458
  220   2HB   GLU  30          1HB       GLU  30  11.821  -6.220 -15.204
  221   1HG   GLU  30          2HG       GLU  30  14.312  -5.561 -13.651
  222   2HG   GLU  30          1HG       GLU  30  13.876  -7.159 -14.251
  223    H    SER  31           H        SER  31  10.665  -3.444 -12.561
  224    HA   SER  31           HA       SER  31   8.095  -4.099 -13.609
  225   1HB   SER  31          2HB       SER  31   8.814  -2.408 -11.211
  226   2HB   SER  31          1HB       SER  31   7.237  -3.118 -11.547
  227    HG   SER  31           HG       SER  31   8.706  -4.296 -10.071
  228    H    HIS  32           H        HIS  32   6.300  -2.278 -13.237
  229    HA   HIS  32           HA       HIS  32   6.902   0.387 -13.939
  230   1HB   HIS  32          2HB       HIS  32   7.483  -0.486 -16.109
  231   2HB   HIS  32          1HB       HIS  32   5.968  -1.375 -16.209
  232    HD1  HIS  32           1HD      HIS  32   6.883   2.281 -15.632
  233    HD2  HIS  32           2HD      HIS  32   4.274  -0.068 -17.855
  234    HE1  HIS  32           1HE      HIS  32   5.526   3.897 -17.000
  235    HE2  HIS  32           2HE      HIS  32   4.013   2.448 -18.400
  236    H    ILE  33           H        ILE  33   5.259   1.631 -13.393
  237    HA   ILE  33           HA       ILE  33   2.991   0.739 -12.106
  238    HB   ILE  33           HB       ILE  33   3.711   3.354 -13.369
  239   1HG1  ILE  33          2HG1      ILE  33   4.829   2.647 -11.292
  240   2HG1  ILE  33          1HG1      ILE  33   3.849   4.087 -11.046
  241   1HG2  ILE  33          1HG2      ILE  33   1.065   2.589 -12.204
  242   2HG2  ILE  33          2HG2      ILE  33   1.425   3.578 -13.620
  243   3HG2  ILE  33          3HG2      ILE  33   1.677   4.231 -12.001
  244   1HD1  ILE  33          1HD1      ILE  33   3.821   1.781  -9.529
  245   2HD1  ILE  33          2HD1      ILE  33   2.357   1.675 -10.506
  246   3HD1  ILE  33          3HD1      ILE  33   2.637   3.087  -9.486
  247    H    LEU  34           H        LEU  34   0.775   0.737 -12.607
  248    HA   LEU  34           HA       LEU  34   0.058   0.727 -15.459
  249   1HB   LEU  34          2HB       LEU  34   0.399  -1.596 -14.376
  250   2HB   LEU  34          1HB       LEU  34  -1.086  -1.262 -13.512
  251    HG   LEU  34           HG       LEU  34  -1.468  -2.671 -15.476
  252   1HD1  LEU  34          1HD1      LEU  34  -3.354  -1.544 -16.338
  253   2HD1  LEU  34          2HD1      LEU  34  -2.657   0.040 -15.995
  254   3HD1  LEU  34          3HD1      LEU  34  -3.174  -1.002 -14.669
  255   1HD2  LEU  34          1HD2      LEU  34  -0.688  -2.248 -17.532
  256   2HD2  LEU  34          2HD2      LEU  34   0.433  -1.166 -16.706
  257   3HD2  LEU  34          3HD2      LEU  34  -1.044  -0.525 -17.424
  258    H    THR  35           H        THR  35  -1.877  -0.058 -12.585
  259    HA   THR  35           HA       THR  35  -3.536   2.320 -13.134
  260    HB   THR  35           HB       THR  35  -5.300   0.991 -11.800
  261    HG1  THR  35           1HG      THR  35  -4.621  -0.830 -11.072
  262   1HG2  THR  35          1HG2      THR  35  -5.988   1.051 -13.943
  263   2HG2  THR  35          2HG2      THR  35  -5.566  -0.659 -13.874
  264   3HG2  THR  35          3HG2      THR  35  -4.439   0.499 -14.578
  265    H    VAL  36           H        VAL  36  -3.613   3.863 -11.623
  266    HA   VAL  36           HA       VAL  36  -3.218   3.215  -8.809
  267    HB   VAL  36           HB       VAL  36  -1.415   5.187 -10.226
  268   1HG1  VAL  36          1HG1      VAL  36  -2.175   4.869  -7.431
  269   2HG1  VAL  36          2HG1      VAL  36  -1.369   6.211  -8.240
  270   3HG1  VAL  36          3HG1      VAL  36  -0.430   4.823  -7.689
  271   1HG2  VAL  36          1HG2      VAL  36  -0.461   2.813  -8.687
  272   2HG2  VAL  36          2HG2      VAL  36   0.345   3.719  -9.969
  273   3HG2  VAL  36          3HG2      VAL  36  -0.981   2.624 -10.361
  274    H    SER  37           H        SER  37  -4.734   4.278  -7.710
  275    HA   SER  37           HA       SER  37  -5.148   7.032  -7.791
  276   1HB   SER  37          2HB       SER  37  -6.148   6.573 -10.014
  277   2HB   SER  37          1HB       SER  37  -7.290   5.463  -9.257
  278    HG   SER  37           HG       SER  37  -8.408   7.298  -9.285
  279    H    SER  38           H        SER  38  -7.586   7.423  -6.858
  280    HA   SER  38           HA       SER  38  -9.008   7.147  -5.111
  281   1HB   SER  38          2HB       SER  38  -8.132   4.254  -5.223
  282   2HB   SER  38          1HB       SER  38  -9.538   4.870  -4.358
  283    HG   SER  38           HG       SER  38  -9.128   4.532  -7.096
  284    H    PHE  39           H        PHE  39  -7.284   8.484  -4.054
  285    HA   PHE  39           HA       PHE  39  -5.632   7.115  -2.090
  286   1HB   PHE  39          2HB       PHE  39  -6.042  10.065  -2.648
  287   2HB   PHE  39          1HB       PHE  39  -4.941   9.431  -1.435
  288    HD1  PHE  39           1HD      PHE  39  -5.616   8.413  -4.954
  289    HD2  PHE  39           2HD      PHE  39  -2.777   9.857  -2.129
  290    HE1  PHE  39           1HE      PHE  39  -3.846   8.254  -6.656
  291    HE2  PHE  39           2HE      PHE  39  -1.004   9.701  -3.828
  292    HZ   PHE  39           HZ       PHE  39  -1.515   8.948  -6.076
  293    H    TYR  40           H        TYR  40  -6.371   6.608  -0.076
  294    HA   TYR  40           HA       TYR  40  -8.681   8.156   0.849
  295   1HB   TYR  40          2HB       TYR  40  -8.181   5.213   1.072
  296   2HB   TYR  40          1HB       TYR  40  -9.348   6.043   2.109
  297    HD1  TYR  40           1HD      TYR  40  -8.430   5.638  -1.481
  298    HD2  TYR  40           2HD      TYR  40 -11.513   6.393   1.347
  299    HE1  TYR  40           1HE      TYR  40 -10.087   5.643  -3.296
  300    HE2  TYR  40           2HE      TYR  40 -13.180   6.390  -0.460
  301    HH   TYR  40           HH       TYR  40 -13.439   6.506  -2.726
  302    H    ARG  41           H        ARG  41  -9.144   7.825   3.217
  303    HA   ARG  41           HA       ARG  41  -6.802   8.809   4.639
  304   1HB   ARG  41          2HB       ARG  41  -8.843  10.127   4.670
  305   2HB   ARG  41          1HB       ARG  41  -9.740   8.772   5.336
  306   1HG   ARG  41          2HG       ARG  41  -8.338   8.893   7.367
  307   2HG   ARG  41          1HG       ARG  41  -7.546  10.318   6.693
  308   1HD   ARG  41          2HD       ARG  41 -10.481  10.042   7.325
  309   2HD   ARG  41          1HD       ARG  41  -9.300  10.962   8.254
  310    HE   ARG  41           HE       ARG  41  -9.270  11.890   5.613
  311   1HH1  ARG  41          1HH1      ARG  41 -11.375  11.833   8.388
  312   2HH1  ARG  41          2HH1      ARG  41 -12.190  13.301   7.963
  313   1HH2  ARG  41          1HH2      ARG  41 -10.339  13.824   5.042
  314   2HH2  ARG  41          2HH2      ARG  41 -11.601  14.433   6.060
  315    H    THR  42           H        THR  42  -5.700   7.698   6.090
  316    HA   THR  42           HA       THR  42  -6.909   5.262   7.235
  317    HB   THR  42           HB       THR  42  -3.989   5.909   6.800
  318    HG1  THR  42           1HG      THR  42  -4.553   3.796   5.497
  319   1HG2  THR  42          1HG2      THR  42  -3.386   4.118   7.967
  320   2HG2  THR  42          2HG2      THR  42  -4.690   3.138   7.295
  321   3HG2  THR  42          3HG2      THR  42  -5.000   4.185   8.681
  322    HA   PRO  43           HA       PRO  43  -6.470   7.879  10.922
  323   1HB   PRO  43          2HB       PRO  43  -8.633   6.395  12.091
  324   2HB   PRO  43          1HB       PRO  43  -8.649   8.055  11.492
  325   1HG   PRO  43          2HG       PRO  43 -10.031   5.965  10.340
  326   2HG   PRO  43          1HG       PRO  43  -9.561   7.449   9.493
  327   1HD   PRO  43          2HD       PRO  43  -8.268   4.752   9.460
  328   2HD   PRO  43          1HD       PRO  43  -8.495   5.912   8.133
  329    HA   PRO  44           HA       PRO  44  -3.944   4.897  13.087
  330   1HB   PRO  44          2HB       PRO  44  -4.197   6.821  15.328
  331   2HB   PRO  44          1HB       PRO  44  -2.744   6.172  14.562
  332   1HG   PRO  44          2HG       PRO  44  -3.535   8.695  14.141
  333   2HG   PRO  44          1HG       PRO  44  -2.781   7.730  12.860
  334   1HD   PRO  44          2HD       PRO  44  -5.652   8.444  13.258
  335   2HD   PRO  44          1HD       PRO  44  -4.727   8.277  11.751
  336    H    LEU  45           H        LEU  45  -6.228   6.620  15.198
  337    HA   LEU  45           HA       LEU  45  -7.660   5.913  16.817
  338   1HB   LEU  45          2HB       LEU  45  -8.127   3.761  14.755
  339   2HB   LEU  45          1HB       LEU  45  -9.192   4.106  16.103
  340    HG   LEU  45           HG       LEU  45  -8.560   6.010  13.843
  341   1HD1  LEU  45          1HD1      LEU  45 -10.241   3.815  13.828
  342   2HD1  LEU  45          2HD1      LEU  45 -10.302   5.191  12.727
  343   3HD1  LEU  45          3HD1      LEU  45 -11.315   5.170  14.170
  344   1HD2  LEU  45          1HD2      LEU  45 -10.434   7.326  14.814
  345   2HD2  LEU  45          2HD2      LEU  45  -9.007   7.249  15.848
  346   3HD2  LEU  45          3HD2      LEU  45 -10.414   6.247  16.208
  347    H    GLY  46           H        GLY  46  -4.945   4.924  17.182
  348   1HA   GLY  46          2HA       GLY  46  -5.217   3.315  19.363
  349   2HA   GLY  46          1HA       GLY  46  -5.153   2.178  18.029
  350    HA   PRO  47           HA       PRO  47  -0.772   1.983  17.901
  351   1HB   PRO  47          2HB       PRO  47  -0.844   3.199  15.176
  352   2HB   PRO  47          1HB       PRO  47  -0.035   1.731  15.734
  353   1HG   PRO  47          2HG       PRO  47  -2.291   1.583  14.332
  354   2HG   PRO  47          1HG       PRO  47  -1.979   0.473  15.678
  355   1HD   PRO  47          2HD       PRO  47  -3.803   2.822  15.538
  356   2HD   PRO  47          1HD       PRO  47  -3.979   1.305  16.443
  357    H    GLN  48           H        GLN  48  -2.186   4.998  16.740
  358    HA   GLN  48           HA       GLN  48  -0.144   6.494  18.198
  359   1HB   GLN  48          2HB       GLN  48  -0.788   6.959  15.281
  360   2HB   GLN  48          1HB       GLN  48   0.216   8.007  16.274
  361   1HG   GLN  48          2HG       GLN  48   1.887   6.334  16.493
  362   2HG   GLN  48          1HG       GLN  48   0.843   5.112  15.771
  363   1HE2  GLN  48          1HE2      GLN  48   0.135   7.684  13.992
  364   2HE2  GLN  48          2HE2      GLN  48   1.319   7.556  12.743
  365    H    ASP  49           H        ASP  49  -0.872   8.386  19.059
  366    HA   ASP  49           HA       ASP  49  -3.731   8.877  18.886
  367   1HB   ASP  49          2HB       ASP  49  -2.487   8.909  21.078
  368   2HB   ASP  49          1HB       ASP  49  -1.657  10.359  20.526
  369    H    GLN  50           H        GLN  50  -1.240   9.595  17.012
  370    HA   GLN  50           HA       GLN  50  -2.205  12.298  16.344
  371   1HB   GLN  50          2HB       GLN  50   0.497  11.234  15.555
  372   2HB   GLN  50          1HB       GLN  50  -0.041  12.904  15.638
  373   1HG   GLN  50          2HG       GLN  50   1.386  12.652  17.461
  374   2HG   GLN  50          1HG       GLN  50  -0.232  12.544  18.151
  375   1HE2  GLN  50          1HE2      GLN  50  -0.403  11.049  19.637
  376   2HE2  GLN  50          2HE2      GLN  50   0.431   9.534  19.669
  377    HA   PRO  51           HA       PRO  51  -3.871  10.547  12.602
  378   1HB   PRO  51          2HB       PRO  51  -3.058  13.213  11.524
  379   2HB   PRO  51          1HB       PRO  51  -4.599  12.361  11.372
  380   1HG   PRO  51          2HG       PRO  51  -4.355  14.381  13.074
  381   2HG   PRO  51          1HG       PRO  51  -5.279  12.933  13.518
  382   1HD   PRO  51          2HD       PRO  51  -2.558  13.790  14.393
  383   2HD   PRO  51          1HD       PRO  51  -3.819  12.929  15.301
  384    H    ASP  52           H        ASP  52  -3.168   9.807  10.568
  385    HA   ASP  52           HA       ASP  52  -0.525  10.454   9.603
  386   1HB   ASP  52          2HB       ASP  52   0.305   8.132   9.710
  387   2HB   ASP  52          1HB       ASP  52   0.042   8.813  11.309
  388    H    TYR  53           H        TYR  53  -3.639   9.498   9.186
  389    HA   TYR  53           HA       TYR  53  -3.924   7.748   7.200
  390   1HB   TYR  53          2HB       TYR  53  -5.791   9.421   6.419
  391   2HB   TYR  53          1HB       TYR  53  -5.882   8.628   7.984
  392    HD1  TYR  53           1HD      TYR  53  -6.936  10.099   9.470
  393    HD2  TYR  53           2HD      TYR  53  -3.972  11.614   6.822
  394    HE1  TYR  53           1HE      TYR  53  -7.097  12.295  10.557
  395    HE2  TYR  53           2HE      TYR  53  -4.127  13.816   7.902
  396    HH   TYR  53           HH       TYR  53  -6.552  14.826   9.687
  397    H    LEU  54           H        LEU  54  -2.444   7.564   5.532
  398    HA   LEU  54           HA       LEU  54  -2.885   9.383   3.330
  399   1HB   LEU  54          2HB       LEU  54  -0.905  10.318   4.587
  400   2HB   LEU  54          1HB       LEU  54  -0.057   8.828   4.236
  401    HG   LEU  54           HG       LEU  54   0.576  10.691   2.737
  402   1HD1  LEU  54          1HD1      LEU  54  -0.828   8.718   1.003
  403   2HD1  LEU  54          2HD1      LEU  54   0.460   8.170   2.077
  404   3HD1  LEU  54          3HD1      LEU  54   0.793   9.399   0.858
  405   1HD2  LEU  54          1HD2      LEU  54  -1.109  12.060   2.190
  406   2HD2  LEU  54          2HD2      LEU  54  -2.327  10.797   2.354
  407   3HD2  LEU  54          3HD2      LEU  54  -1.374  10.914   0.876
  408    H    ASN  55           H        ASN  55  -3.717   7.762   2.052
  409    HA   ASN  55           HA       ASN  55  -1.858   5.602   1.389
  410   1HB   ASN  55          2HB       ASN  55  -4.683   5.205   2.352
  411   2HB   ASN  55          1HB       ASN  55  -3.811   3.975   1.442
  412   1HD2  ASN  55          1HD2      ASN  55  -2.926   2.492   2.664
  413   2HD2  ASN  55          2HD2      ASN  55  -2.299   2.715   4.257
  414    H    ALA  56           H        ALA  56  -2.567   4.306  -0.474
  415    HA   ALA  56           HA       ALA  56  -4.483   5.276  -2.325
  416   1HB   ALA  56          1HB       ALA  56  -1.854   5.612  -3.575
  417   2HB   ALA  56          2HB       ALA  56  -2.222   6.804  -2.330
  418   3HB   ALA  56          3HB       ALA  56  -3.307   6.602  -3.705
  419    H    ALA  57           H        ALA  57  -4.883   3.750  -3.881
  420    HA   ALA  57           HA       ALA  57  -3.494   1.228  -3.576
  421   1HB   ALA  57          1HB       ALA  57  -6.012   2.099  -4.905
  422   2HB   ALA  57          2HB       ALA  57  -5.749   0.834  -3.704
  423   3HB   ALA  57          3HB       ALA  57  -5.267   0.573  -5.381
  424    H    VAL  58           H        VAL  58  -1.799   0.687  -4.739
  425    HA   VAL  58           HA       VAL  58  -1.525   1.812  -7.442
  426    HB   VAL  58           HB       VAL  58   0.644   0.924  -5.534
  427   1HG1  VAL  58          1HG1      VAL  58   1.737   0.450  -7.439
  428   2HG1  VAL  58          2HG1      VAL  58   1.914   2.202  -7.560
  429   3HG1  VAL  58          3HG1      VAL  58   0.618   1.385  -8.433
  430   1HG2  VAL  58          1HG2      VAL  58   0.498   3.664  -6.668
  431   2HG2  VAL  58          2HG2      VAL  58   1.098   3.115  -5.103
  432   3HG2  VAL  58          3HG2      VAL  58  -0.638   3.243  -5.385
  433    H    ALA  59           H        ALA  59  -1.333   0.429  -9.089
  434    HA   ALA  59           HA       ALA  59  -0.932  -2.417  -8.511
  435   1HB   ALA  59          1HB       ALA  59  -3.292  -1.198  -9.562
  436   2HB   ALA  59          2HB       ALA  59  -2.967  -2.909  -9.287
  437   3HB   ALA  59          3HB       ALA  59  -2.549  -2.171 -10.833
  438    H    LEU  60           H        LEU  60   1.174  -2.289  -9.084
  439    HA   LEU  60           HA       LEU  60   1.779  -1.437 -11.825
  440   1HB   LEU  60          2HB       LEU  60   2.998  -0.127 -10.318
  441   2HB   LEU  60          1HB       LEU  60   3.358  -1.491  -9.281
  442    HG   LEU  60           HG       LEU  60   4.501  -1.418 -12.042
  443   1HD1  LEU  60          1HD1      LEU  60   4.880   0.790 -10.820
  444   2HD1  LEU  60          2HD1      LEU  60   6.306  -0.071 -11.395
  445   3HD1  LEU  60          3HD1      LEU  60   5.861  -0.144  -9.691
  446   1HD2  LEU  60          1HD2      LEU  60   4.664  -3.127  -9.831
  447   2HD2  LEU  60          2HD2      LEU  60   6.210  -2.279  -9.901
  448   3HD2  LEU  60          3HD2      LEU  60   5.633  -3.179 -11.304
  449    H    GLU  61           H        GLU  61   2.932  -2.724 -13.207
  450    HA   GLU  61           HA       GLU  61   2.756  -5.557 -12.753
  451   1HB   GLU  61          2HB       GLU  61   4.049  -4.055 -15.040
  452   2HB   GLU  61          1HB       GLU  61   3.638  -5.764 -15.022
  453   1HG   GLU  61          2HG       GLU  61   1.264  -5.170 -14.829
  454   2HG   GLU  61          1HG       GLU  61   1.700  -3.465 -14.911
  455    H    THR  62           H        THR  62   4.166  -6.202 -11.182
  456    HA   THR  62           HA       THR  62   6.892  -5.290 -11.182
  457    HB   THR  62           HB       THR  62   7.100  -6.531  -9.121
  458    HG1  THR  62           1HG      THR  62   4.661  -7.702  -9.933
  459   1HG2  THR  62          1HG2      THR  62   4.922  -5.788  -7.913
  460   2HG2  THR  62          2HG2      THR  62   4.586  -4.957  -9.434
  461   3HG2  THR  62          3HG2      THR  62   6.050  -4.576  -8.524
  462    H    SER  63           H        SER  63   8.668  -6.502 -11.532
  463    HA   SER  63           HA       SER  63   8.287  -9.143 -12.802
  464   1HB   SER  63          2HB       SER  63   9.075  -7.458 -14.441
  465   2HB   SER  63          1HB       SER  63  10.436  -7.077 -13.387
  466    HG   SER  63           HG       SER  63  11.005  -8.557 -15.041
  467    H    LEU  64           H        LEU  64   9.615  -7.165 -10.483
  468    HA   LEU  64           HA       LEU  64  11.458  -9.193  -9.450
  469   1HB   LEU  64          2HB       LEU  64  12.103  -7.113  -7.998
  470   2HB   LEU  64          1HB       LEU  64  12.705  -7.253  -9.640
  471    HG   LEU  64           HG       LEU  64  10.123  -5.809  -9.320
  472   1HD1  LEU  64          1HD1      LEU  64  10.853  -4.157  -8.007
  473   2HD1  LEU  64          2HD1      LEU  64  12.357  -4.009  -8.916
  474   3HD1  LEU  64          3HD1      LEU  64  12.234  -5.175  -7.597
  475   1HD2  LEU  64          1HD2      LEU  64  12.451  -4.721 -10.791
  476   2HD2  LEU  64          2HD2      LEU  64  10.754  -4.829 -11.258
  477   3HD2  LEU  64          3HD2      LEU  64  11.794  -6.248 -11.382
  478    H    ALA  65           H        ALA  65  10.071 -10.475  -8.276
  479    HA   ALA  65           HA       ALA  65   7.781 -10.040  -7.000
  480   1HB   ALA  65          1HB       ALA  65   9.925 -11.430  -5.438
  481   2HB   ALA  65          2HB       ALA  65   9.322 -12.113  -6.947
  482   3HB   ALA  65          3HB       ALA  65   8.219 -11.840  -5.598
  483    HA   PRO  66           HA       PRO  66   7.652  -6.708  -4.106
  484   1HB   PRO  66          2HB       PRO  66   6.934  -9.011  -2.306
  485   2HB   PRO  66          1HB       PRO  66   6.278  -7.364  -2.318
  486   1HG   PRO  66          2HG       PRO  66   4.968  -9.274  -3.568
  487   2HG   PRO  66          1HG       PRO  66   5.159  -7.684  -4.319
  488   1HD   PRO  66          2HD       PRO  66   6.442 -10.265  -5.025
  489   2HD   PRO  66          1HD       PRO  66   6.111  -8.851  -6.050
  490    H    GLU  67           H        GLU  67   9.419  -9.650  -3.342
  491    HA   GLU  67           HA       GLU  67  10.782  -8.859  -1.075
  492   1HB   GLU  67          2HB       GLU  67  11.994 -10.367  -3.402
  493   2HB   GLU  67          1HB       GLU  67  12.485 -10.449  -1.713
  494   1HG   GLU  67          2HG       GLU  67  10.412 -11.513  -1.112
  495   2HG   GLU  67          1HG       GLU  67   9.797 -11.321  -2.756
  496    H    GLU  68           H        GLU  68  11.617  -8.346  -4.479
  497    HA   GLU  68           HA       GLU  68  13.758  -6.502  -3.866
  498   1HB   GLU  68          2HB       GLU  68  12.508  -7.277  -6.505
  499   2HB   GLU  68          1HB       GLU  68  13.989  -6.358  -6.303
  500   1HG   GLU  68          2HG       GLU  68  13.542  -9.173  -5.379
  501   2HG   GLU  68          1HG       GLU  68  14.403  -8.705  -6.844
  502    H    LEU  69           H        LEU  69  10.618  -6.365  -5.531
  503    HA   LEU  69           HA       LEU  69  10.488  -3.723  -6.216
  504   1HB   LEU  69          2HB       LEU  69   8.673  -4.891  -6.942
  505   2HB   LEU  69          1HB       LEU  69   8.500  -5.769  -5.442
  506    HG   LEU  69           HG       LEU  69   7.640  -3.579  -4.440
  507   1HD1  LEU  69          1HD1      LEU  69   8.304  -1.959  -5.981
  508   2HD1  LEU  69          2HD1      LEU  69   6.564  -2.113  -6.221
  509   3HD1  LEU  69          3HD1      LEU  69   7.681  -2.876  -7.351
  510   1HD2  LEU  69          1HD2      LEU  69   6.348  -5.656  -5.743
  511   2HD2  LEU  69          2HD2      LEU  69   5.615  -4.202  -6.419
  512   3HD2  LEU  69          3HD2      LEU  69   5.607  -4.465  -4.674
  513    H    LEU  70           H        LEU  70   9.898  -5.152  -3.050
  514    HA   LEU  70           HA       LEU  70   9.141  -2.680  -1.828
  515   1HB   LEU  70          2HB       LEU  70   9.735  -5.431  -0.831
  516   2HB   LEU  70          1HB       LEU  70   9.747  -4.103   0.311
  517    HG   LEU  70           HG       LEU  70   7.429  -3.576  -0.216
  518   1HD1  LEU  70          1HD1      LEU  70   6.587  -5.850  -1.649
  519   2HD1  LEU  70          2HD1      LEU  70   7.944  -5.156  -2.535
  520   3HD1  LEU  70          3HD1      LEU  70   6.538  -4.162  -2.155
  521   1HD2  LEU  70          1HD2      LEU  70   6.532  -6.023   0.363
  522   2HD2  LEU  70          2HD2      LEU  70   7.336  -4.991   1.547
  523   3HD2  LEU  70          3HD2      LEU  70   8.243  -6.258   0.721
  524    H    ASN  71           H        ASN  71  12.126  -4.545  -2.176
  525    HA   ASN  71           HA       ASN  71  13.798  -3.239  -0.423
  526   1HB   ASN  71          2HB       ASN  71  14.332  -4.260  -3.212
  527   2HB   ASN  71          1HB       ASN  71  15.602  -3.525  -2.243
  528   1HD2  ASN  71          1HD2      ASN  71  13.299  -5.172  -0.410
  529   2HD2  ASN  71          2HD2      ASN  71  14.194  -6.620  -0.137
  530    H    HIS  72           H        HIS  72  12.851  -2.210  -3.690
  531    HA   HIS  72           HA       HIS  72  14.333   0.227  -3.587
  532   1HB   HIS  72          2HB       HIS  72  12.134  -0.701  -5.435
  533   2HB   HIS  72          1HB       HIS  72  13.060   0.781  -5.661
  534    HD1  HIS  72           1HD      HIS  72  15.729   0.388  -5.983
  535    HD2  HIS  72           2HD      HIS  72  13.282  -2.926  -6.475
  536    HE1  HIS  72           1HE      HIS  72  17.132  -1.307  -7.202
  537    HE2  HIS  72           2HE      HIS  72  15.592  -3.263  -7.587
  538    H    THR  73           H        THR  73  10.827  -0.503  -3.271
  539    HA   THR  73           HA       THR  73   9.959   2.134  -2.997
  540    HB   THR  73           HB       THR  73   8.035   1.189  -1.730
  541    HG1  THR  73           1HG      THR  73   9.628  -1.141  -1.833
  542   1HG2  THR  73          1HG2      THR  73   8.705  -0.608  -4.037
  543   2HG2  THR  73          2HG2      THR  73   8.161   1.057  -4.235
  544   3HG2  THR  73          3HG2      THR  73   7.113  -0.125  -3.453
  545    H    GLN  74           H        GLN  74  10.716  -0.134  -0.375
  546    HA   GLN  74           HA       GLN  74  10.564   1.717   1.722
  547   1HB   GLN  74          2HB       GLN  74  12.199  -0.825   1.625
  548   2HB   GLN  74          1HB       GLN  74  11.637   0.008   3.067
  549   1HG   GLN  74          2HG       GLN  74   9.323  -0.474   2.435
  550   2HG   GLN  74          1HG       GLN  74   9.899  -1.329   1.007
  551   1HE2  GLN  74          1HE2      GLN  74  12.123  -1.906   3.350
  552   2HE2  GLN  74          2HE2      GLN  74  11.501  -3.387   3.983
  553    H    ARG  75           H        ARG  75  13.026   0.924  -0.567
  554    HA   ARG  75           HA       ARG  75  15.342   1.794   0.723
  555   1HB   ARG  75          2HB       ARG  75  15.297   0.627  -1.457
  556   2HB   ARG  75          1HB       ARG  75  14.601   2.053  -2.201
  557   1HG   ARG  75          2HG       ARG  75  16.668   3.296  -1.596
  558   2HG   ARG  75          1HG       ARG  75  17.357   1.768  -1.034
  559   1HD   ARG  75          2HD       ARG  75  16.922   0.821  -3.312
  560   2HD   ARG  75          1HD       ARG  75  16.436   2.437  -3.826
  561    HE   ARG  75           HE       ARG  75  18.980   2.621  -2.681
  562   1HH1  ARG  75          1HH1      ARG  75  17.426   1.228  -5.474
  563   2HH1  ARG  75          2HH1      ARG  75  18.836   1.342  -6.475
  564   1HH2  ARG  75          1HH2      ARG  75  20.840   2.774  -3.994
  565   2HH2  ARG  75          2HH2      ARG  75  20.774   2.219  -5.633
  566    H    ILE  76           H        ILE  76  12.735   3.521  -0.801
  567    HA   ILE  76           HA       ILE  76  14.084   6.062  -0.746
  568    HB   ILE  76           HB       ILE  76  11.148   5.935  -1.100
  569   1HG1  ILE  76          2HG1      ILE  76  11.932   3.933  -2.323
  570   2HG1  ILE  76          1HG1      ILE  76  11.372   5.183  -3.427
  571   1HG2  ILE  76          1HG2      ILE  76  11.907   7.453  -3.043
  572   2HG2  ILE  76          2HG2      ILE  76  13.461   7.459  -2.207
  573   3HG2  ILE  76          3HG2      ILE  76  12.016   8.052  -1.386
  574   1HD1  ILE  76          1HD1      ILE  76  13.277   4.681  -4.505
  575   2HD1  ILE  76          2HD1      ILE  76  14.056   4.043  -3.056
  576   3HD1  ILE  76          3HD1      ILE  76  13.991   5.784  -3.327
  577    H    GLU  77           H        GLU  77  11.130   4.820   0.888
  578    HA   GLU  77           HA       GLU  77  10.744   6.984   2.557
  579   1HB   GLU  77          2HB       GLU  77   9.658   5.370   4.144
  580   2HB   GLU  77          1HB       GLU  77   9.046   5.361   2.509
  581   1HG   GLU  77          2HG       GLU  77   9.137   3.144   3.134
  582   2HG   GLU  77          1HG       GLU  77  10.545   3.360   2.107
  583    H    LEU  78           H        LEU  78  13.229   4.610   2.691
  584    HA   LEU  78           HA       LEU  78  13.880   4.984   5.458
  585   1HB   LEU  78          2HB       LEU  78  14.359   2.881   4.324
  586   2HB   LEU  78          1HB       LEU  78  15.448   3.704   3.224
  587    HG   LEU  78           HG       LEU  78  16.910   4.273   5.150
  588   1HD1  LEU  78          1HD1      LEU  78  16.574   3.259   7.294
  589   2HD1  LEU  78          2HD1      LEU  78  15.140   2.409   6.719
  590   3HD1  LEU  78          3HD1      LEU  78  15.123   4.166   6.870
  591   1HD2  LEU  78          1HD2      LEU  78  16.294   1.444   4.412
  592   2HD2  LEU  78          2HD2      LEU  78  17.529   1.793   5.622
  593   3HD2  LEU  78          3HD2      LEU  78  17.689   2.437   3.988
  594    H    GLN  79           H        GLN  79  15.617   5.865   2.440
  595    HA   GLN  79           HA       GLN  79  17.197   7.747   4.039
  596   1HB   GLN  79          2HB       GLN  79  18.670   7.868   2.045
  597   2HB   GLN  79          1HB       GLN  79  18.495   6.238   2.680
  598   1HG   GLN  79          2HG       GLN  79  16.878   5.723   0.926
  599   2HG   GLN  79          1HG       GLN  79  17.048   7.360   0.291
  600   1HE2  GLN  79          1HE2      GLN  79  17.980   4.265  -0.149
  601   2HE2  GLN  79          2HE2      GLN  79  19.475   4.516  -0.977
  602    H    GLN  80           H        GLN  80  14.943   7.716   1.319
  603    HA   GLN  80           HA       GLN  80  15.330  10.381   0.499
  604   1HB   GLN  80          2HB       GLN  80  14.058   8.720  -0.821
  605   2HB   GLN  80          1HB       GLN  80  12.775   8.774   0.382
  606   1HG   GLN  80          2HG       GLN  80  12.135  10.127  -1.470
  607   2HG   GLN  80          1HG       GLN  80  12.482  11.181  -0.104
  608   1HE2  GLN  80          1HE2      GLN  80  15.354  10.003  -1.309
  609   2HE2  GLN  80          2HE2      GLN  80  15.774  11.325  -2.336
  610    H    GLY  81           H        GLY  81  12.565   9.089   2.343
  611   1HA   GLY  81          2HA       GLY  81  11.977  11.708   3.392
  612   2HA   GLY  81          1HA       GLY  81  11.128  10.207   3.754
  613    H    ARG  82           H        ARG  82  14.560  10.289   4.037
  614    HA   ARG  82           HA       ARG  82  15.993  10.130   5.783
  615   1HB   ARG  82          2HB       ARG  82  13.842  11.631   7.281
  616   2HB   ARG  82          1HB       ARG  82  15.489  11.388   7.839
  617   1HG   ARG  82          2HG       ARG  82  16.346  12.707   6.009
  618   2HG   ARG  82          1HG       ARG  82  14.722  12.878   5.338
  619   1HD   ARG  82          2HD       ARG  82  14.019  14.062   7.365
  620   2HD   ARG  82          1HD       ARG  82  15.647  13.901   8.021
  621    HE   ARG  82           HE       ARG  82  15.844  15.158   5.540
  622   1HH1  ARG  82          1HH1      ARG  82  14.516  15.774   8.701
  623   2HH1  ARG  82          2HH1      ARG  82  14.709  17.491   8.589
  624   1HH2  ARG  82          1HH2      ARG  82  16.104  17.418   5.384
  625   2HH2  ARG  82          2HH2      ARG  82  15.612  18.425   6.704
  626    H    VAL  83           H        VAL  83  16.442   8.829   7.602
  627    HA   VAL  83           HA       VAL  83  14.950   6.481   7.808
  628    HB   VAL  83           HB       VAL  83  16.850   7.574   9.893
  629   1HG1  VAL  83          1HG1      VAL  83  16.538   4.678   9.283
  630   2HG1  VAL  83          2HG1      VAL  83  15.300   5.472  10.255
  631   3HG1  VAL  83          3HG1      VAL  83  16.980   5.474  10.794
  632   1HG2  VAL  83          1HG2      VAL  83  17.409   5.984   7.392
  633   2HG2  VAL  83          2HG2      VAL  83  18.575   6.250   8.688
  634   3HG2  VAL  83          3HG2      VAL  83  17.959   7.619   7.763
  635    H    ARG  84           H        ARG  84  14.409   9.532   9.191
  636    HA   ARG  84           HA       ARG  84  12.207   8.450  10.786
  637   1HB   ARG  84          2HB       ARG  84  14.283  10.352  11.883
  638   2HB   ARG  84          1HB       ARG  84  12.785   9.927  12.694
  639   1HG   ARG  84          2HG       ARG  84  14.976   7.990  11.977
  640   2HG   ARG  84          1HG       ARG  84  14.724   8.706  13.571
  641   1HD   ARG  84          2HD       ARG  84  12.489   7.678  13.654
  642   2HD   ARG  84          1HD       ARG  84  12.789   6.929  12.085
  643    HE   ARG  84           HE       ARG  84  13.896   5.285  13.195
  644   1HH1  ARG  84          1HH1      ARG  84  14.046   8.179  15.135
  645   2HH1  ARG  84          2HH1      ARG  84  14.926   7.423  16.421
  646   1HH2  ARG  84          1HH2      ARG  84  15.054   4.286  14.887
  647   2HH2  ARG  84          2HH2      ARG  84  15.497   5.216  16.280
  648    H    LYS  85           H        LYS  85  13.534  10.867   8.798
  649    HA   LYS  85           HA       LYS  85  12.690  12.745   7.825
  650   1HB   LYS  85          2HB       LYS  85  10.634  11.039   7.771
  651   2HB   LYS  85          1HB       LYS  85   9.940  12.230   8.860
  652   1HG   LYS  85          2HG       LYS  85  10.982  12.788   6.087
  653   2HG   LYS  85          1HG       LYS  85   9.287  12.611   6.534
  654   1HD   LYS  85          2HD       LYS  85   9.479  14.562   8.009
  655   2HD   LYS  85          1HD       LYS  85  11.175  14.734   7.554
  656   1HE   LYS  85          2HE       LYS  85  10.505  15.085   5.222
  657   2HE   LYS  85          1HE       LYS  85   8.813  14.929   5.689
  658   1HZ   LYS  85          1HZ       LYS  85  10.351  16.904   7.159
  659   2HZ   LYS  85          2HZ       LYS  85   8.772  16.990   6.557
  660   3HZ   LYS  85          3HZ       LYS  85  10.085  17.257   5.525
  661    H    ALA  86           H        ALA  86  13.895  13.147  10.194
  662    HA   ALA  86           HA       ALA  86  14.113  14.558  11.966
  663   1HB   ALA  86          1HB       ALA  86  14.038  16.363  10.518
  664   2HB   ALA  86          2HB       ALA  86  12.766  16.756  11.676
  665   3HB   ALA  86          3HB       ALA  86  12.347  16.088  10.099
  666    H    GLU  87           H        GLU  87  11.707  12.606  11.752
  667    HA   GLU  87           HA       GLU  87   9.990  13.820  13.801
  668   1HB   GLU  87          2HB       GLU  87   9.160  12.713  11.574
  669   2HB   GLU  87          1HB       GLU  87   9.413  11.208  12.442
  670   1HG   GLU  87          2HG       GLU  87   7.681  13.442  13.463
  671   2HG   GLU  87          1HG       GLU  87   7.079  12.109  12.482
  672    H    ARG  88           H        ARG  88  10.225  10.365  13.436
  673    HA   ARG  88           HA       ARG  88  12.219   9.619  15.140
  674   1HB   ARG  88          2HB       ARG  88  11.140   9.257  17.317
  675   2HB   ARG  88          1HB       ARG  88  11.223  10.963  16.911
  676   1HG   ARG  88          2HG       ARG  88   8.906  11.035  16.390
  677   2HG   ARG  88          1HG       ARG  88   8.770   9.279  16.488
  678   1HD   ARG  88          2HD       ARG  88   7.881  10.427  18.487
  679   2HD   ARG  88          1HD       ARG  88   9.210   9.329  18.857
  680    HE   ARG  88           HE       ARG  88  10.334  11.114  19.696
  681   1HH1  ARG  88          1HH1      ARG  88   8.016  12.306  17.382
  682   2HH1  ARG  88          2HH1      ARG  88   8.420  13.968  17.646
  683   1HH2  ARG  88          1HH2      ARG  88  10.867  13.296  20.049
  684   2HH2  ARG  88          2HH2      ARG  88  10.038  14.531  19.161
  685    H    TRP  89           H        TRP  89  11.011   7.619  16.706
  686    HA   TRP  89           HA       TRP  89  10.385   5.715  14.635
  687   1HB   TRP  89          2HB       TRP  89  10.324   4.103  16.606
  688   2HB   TRP  89          1HB       TRP  89  11.856   4.912  16.305
  689    HD1  TRP  89           HD       TRP  89   8.877   6.400  18.287
  690    HE1  TRP  89           1HE      TRP  89   9.691   6.920  20.671
  691    HE3  TRP  89           3HE      TRP  89  13.595   4.451  17.980
  692    HZ2  TRP  89           2HZ      TRP  89  12.020   6.552  22.218
  693    HZ3  TRP  89           3HZ      TRP  89  15.052   4.575  19.959
  694    HH2  TRP  89           HH       TRP  89  14.278   5.604  22.034
  695    H    GLY  90           H        GLY  90   8.376   7.557  14.665
  696   1HA   GLY  90          2HA       GLY  90   6.126   5.958  15.706
  697   2HA   GLY  90          1HA       GLY  90   6.168   7.697  15.947
  698    HA   PRO  91           HA       PRO  91   3.780   7.511  12.128
  699   1HB   PRO  91          2HB       PRO  91   3.324  10.357  12.526
  700   2HB   PRO  91          1HB       PRO  91   2.167   9.030  12.605
  701   1HG   PRO  91          2HG       PRO  91   2.930  10.450  14.788
  702   2HG   PRO  91          1HG       PRO  91   2.443   8.748  14.865
  703   1HD   PRO  91          2HD       PRO  91   5.196   9.932  14.847
  704   2HD   PRO  91          1HD       PRO  91   4.552   8.594  15.824
  705    H    ARG  92           H        ARG  92   5.178   7.388  10.403
  706    HA   ARG  92           HA       ARG  92   5.817   9.604   8.889
  707   1HB   ARG  92          2HB       ARG  92   7.965  10.269   9.364
  708   2HB   ARG  92          1HB       ARG  92   7.391   9.889  10.978
  709   1HG   ARG  92          2HG       ARG  92   9.097   8.125   9.233
  710   2HG   ARG  92          1HG       ARG  92   9.633   9.043  10.637
  711   1HD   ARG  92          2HD       ARG  92   8.160   7.705  12.066
  712   2HD   ARG  92          1HD       ARG  92   7.630   6.787  10.656
  713    HE   ARG  92           HE       ARG  92  10.441   6.689  10.856
  714   1HH1  ARG  92          1HH1      ARG  92   7.575   5.422  12.383
  715   2HH1  ARG  92          2HH1      ARG  92   8.364   3.998  12.970
  716   1HH2  ARG  92          1HH2      ARG  92  11.481   4.815  11.621
  717   2HH2  ARG  92          2HH2      ARG  92  10.581   3.652  12.535
  718    H    THR  93           H        THR  93   7.798   9.093   7.358
  719    HA   THR  93           HA       THR  93   8.552   7.889   5.646
  720    HB   THR  93           HB       THR  93   9.641   6.780   7.717
  721    HG1  THR  93           1HG      THR  93  10.000   6.475   5.254
  722   1HG2  THR  93          1HG2      THR  93   7.383   5.022   7.367
  723   2HG2  THR  93          2HG2      THR  93   8.586   5.076   8.655
  724   3HG2  THR  93          3HG2      THR  93   8.911   4.160   7.184
  725    H    LEU  94           H        LEU  94   8.150   6.490   4.048
  726    HA   LEU  94           HA       LEU  94   5.386   5.977   3.587
  727   1HB   LEU  94          2HB       LEU  94   6.942   6.831   1.888
  728   2HB   LEU  94          1HB       LEU  94   7.862   5.348   1.973
  729    HG   LEU  94           HG       LEU  94   4.981   5.415   1.122
  730   1HD1  LEU  94          1HD1      LEU  94   7.480   5.893  -0.439
  731   2HD1  LEU  94          2HD1      LEU  94   5.938   6.752  -0.500
  732   3HD1  LEU  94          3HD1      LEU  94   6.076   5.139  -1.199
  733   1HD2  LEU  94          1HD2      LEU  94   5.628   3.214   1.707
  734   2HD2  LEU  94          2HD2      LEU  94   7.190   3.386   0.910
  735   3HD2  LEU  94          3HD2      LEU  94   5.714   3.296  -0.053
  736    H    ASP  95           H        ASP  95   4.320   4.057   3.544
  737    HA   ASP  95           HA       ASP  95   5.835   1.604   4.136
  738   1HB   ASP  95          2HB       ASP  95   4.736   2.433   6.202
  739   2HB   ASP  95          1HB       ASP  95   3.182   2.385   5.376
  740    H    LEU  96           H        LEU  96   5.491   0.126   2.599
  741    HA   LEU  96           HA       LEU  96   2.847   0.003   1.351
  742   1HB   LEU  96          2HB       LEU  96   3.741  -0.030  -0.877
  743   2HB   LEU  96          1HB       LEU  96   4.240   1.433  -0.061
  744    HG   LEU  96           HG       LEU  96   6.142   0.835  -1.218
  745   1HD1  LEU  96          1HD1      LEU  96   7.799   0.339   0.322
  746   2HD1  LEU  96          2HD1      LEU  96   6.741  -0.705   1.271
  747   3HD1  LEU  96          3HD1      LEU  96   6.508   1.043   1.293
  748   1HD2  LEU  96          1HD2      LEU  96   6.192  -2.023  -0.424
  749   2HD2  LEU  96          2HD2      LEU  96   6.758  -1.245  -1.902
  750   3HD2  LEU  96          3HD2      LEU  96   5.034  -1.523  -1.658
  751    H    ASP  97           H        ASP  97   2.141  -1.946   0.750
  752    HA   ASP  97           HA       ASP  97   3.913  -4.256   0.629
  753   1HB   ASP  97          2HB       ASP  97   1.597  -4.113   2.584
  754   2HB   ASP  97          1HB       ASP  97   2.557  -5.548   2.237
  755    H    ILE  98           H        ILE  98   3.363  -5.644  -0.726
  756    HA   ILE  98           HA       ILE  98   1.231  -5.117  -2.520
  757    HB   ILE  98           HB       ILE  98   3.465  -6.021  -3.157
  758   1HG1  ILE  98          2HG1      ILE  98   1.052  -7.656  -3.850
  759   2HG1  ILE  98          1HG1      ILE  98   1.581  -6.192  -4.658
  760   1HG2  ILE  98          1HG2      ILE  98   2.756  -7.999  -1.216
  761   2HG2  ILE  98          2HG2      ILE  98   4.285  -7.772  -2.065
  762   3HG2  ILE  98          3HG2      ILE  98   3.020  -8.775  -2.780
  763   1HD1  ILE  98          1HD1      ILE  98   3.718  -7.472  -5.200
  764   2HD1  ILE  98          2HD1      ILE  98   2.253  -7.921  -6.073
  765   3HD1  ILE  98          3HD1      ILE  98   2.820  -8.915  -4.731
  766    H    MET  99           H        MET  99  -0.767  -6.040  -2.652
  767    HA   MET  99           HA       MET  99  -1.365  -8.193  -0.750
  768   1HB   MET  99          2HB       MET  99  -3.418  -6.516  -2.190
  769   2HB   MET  99          1HB       MET  99  -3.638  -7.506  -0.756
  770   1HG   MET  99          2HG       MET  99  -1.800  -5.752   0.146
  771   2HG   MET  99          1HG       MET  99  -2.656  -4.758  -1.037
  772   1HE   MET  99          1HE       MET  99  -2.570  -4.115   2.165
  773   2HE   MET  99          2HE       MET  99  -4.230  -3.535   2.308
  774   3HE   MET  99          3HE       MET  99  -3.267  -3.114   0.891
  775    H    LEU 100           H        LEU 100  -0.671  -7.541  -3.943
  776    HA   LEU 100           HA       LEU 100  -1.868 -10.106  -4.747
  777   1HB   LEU 100          2HB       LEU 100  -2.537  -7.452  -5.790
  778   2HB   LEU 100          1HB       LEU 100  -2.164  -8.636  -7.023
  779    HG   LEU 100           HG       LEU 100  -4.514  -8.587  -6.688
  780   1HD1  LEU 100          1HD1      LEU 100  -4.891 -10.960  -5.841
  781   2HD1  LEU 100          2HD1      LEU 100  -3.144 -11.017  -5.603
  782   3HD1  LEU 100          3HD1      LEU 100  -3.807 -10.747  -7.214
  783   1HD2  LEU 100          1HD2      LEU 100  -4.154  -7.791  -4.205
  784   2HD2  LEU 100          2HD2      LEU 100  -4.378  -9.510  -3.877
  785   3HD2  LEU 100          3HD2      LEU 100  -5.637  -8.600  -4.715
  786    H    PHE 101           H        PHE 101  -0.232 -11.357  -5.468
  787    HA   PHE 101           HA       PHE 101   1.925 -10.020  -6.979
  788   1HB   PHE 101          2HB       PHE 101   2.698 -11.294  -5.001
  789   2HB   PHE 101          1HB       PHE 101   1.964 -12.751  -5.666
  790    HD1  PHE 101           1HD      PHE 101   3.655 -14.202  -6.240
  791    HD2  PHE 101           2HD      PHE 101   4.044 -10.084  -7.242
  792    HE1  PHE 101           1HE      PHE 101   5.735 -14.698  -7.458
  793    HE2  PHE 101           2HE      PHE 101   6.123 -10.574  -8.462
  794    HZ   PHE 101           HZ       PHE 101   6.971 -12.883  -8.572
  795    H    GLY 102           H        GLY 102   0.231  -9.974  -8.681
  796   1HA   GLY 102          2HA       GLY 102  -0.250 -10.717 -10.835
  797   2HA   GLY 102          1HA       GLY 102   0.614 -12.210 -10.483
  798    H    ASN 103           H        ASN 103  -1.066 -12.219  -7.924
  799    HA   ASN 103           HA       ASN 103  -3.235 -12.720  -7.230
  800   1HB   ASN 103          2HB       ASN 103  -3.738 -13.409 -10.133
  801   2HB   ASN 103          1HB       ASN 103  -4.875 -13.781  -8.839
  802   1HD2  ASN 103          1HD2      ASN 103  -6.359 -12.353  -8.434
  803   2HD2  ASN 103          2HD2      ASN 103  -6.297 -10.673  -8.825
  804    H    GLU 104           H        GLU 104  -0.736 -13.973  -7.351
  805    HA   GLU 104           HA       GLU 104  -1.264 -16.821  -7.618
  806   1HB   GLU 104          2HB       GLU 104   0.803 -15.980  -8.532
  807   2HB   GLU 104          1HB       GLU 104   1.189 -15.159  -7.032
  808   1HG   GLU 104          2HG       GLU 104   2.545 -17.071  -7.199
  809   2HG   GLU 104          1HG       GLU 104   1.361 -17.362  -5.931
  810    H    VAL 105           H        VAL 105  -1.052 -18.252  -5.819
  811    HA   VAL 105           HA       VAL 105  -1.658 -16.960  -3.280
  812    HB   VAL 105           HB       VAL 105  -1.575 -19.921  -3.922
  813   1HG1  VAL 105          1HG1      VAL 105  -1.838 -18.474  -1.461
  814   2HG1  VAL 105          2HG1      VAL 105  -1.763 -20.216  -1.731
  815   3HG1  VAL 105          3HG1      VAL 105  -3.315 -19.382  -1.788
  816   1HG2  VAL 105          1HG2      VAL 105  -3.270 -18.830  -5.265
  817   2HG2  VAL 105          2HG2      VAL 105  -3.917 -18.022  -3.837
  818   3HG2  VAL 105          3HG2      VAL 105  -4.034 -19.776  -3.987
  819    H    ILE 106           H        ILE 106   0.230 -16.138  -2.552
  820    HA   ILE 106           HA       ILE 106   2.268 -18.070  -1.738
  821    HB   ILE 106           HB       ILE 106   3.051 -17.275  -3.850
  822   1HG1  ILE 106          2HG1      ILE 106   4.516 -15.803  -1.654
  823   2HG1  ILE 106          1HG1      ILE 106   4.775 -17.484  -2.123
  824   1HG2  ILE 106          1HG2      ILE 106   1.816 -14.833  -3.045
  825   2HG2  ILE 106          2HG2      ILE 106   2.393 -15.323  -4.638
  826   3HG2  ILE 106          3HG2      ILE 106   3.488 -14.523  -3.510
  827   1HD1  ILE 106          1HD1      ILE 106   6.084 -15.256  -3.119
  828   2HD1  ILE 106          2HD1      ILE 106   4.953 -15.721  -4.395
  829   3HD1  ILE 106          3HD1      ILE 106   6.123 -16.892  -3.779
  830    H    ASN 107           H        ASN 107   2.047 -17.843   0.420
  831    HA   ASN 107           HA       ASN 107   1.878 -15.160   1.580
  832   1HB   ASN 107          2HB       ASN 107   1.565 -17.867   2.895
  833   2HB   ASN 107          1HB       ASN 107   1.308 -16.310   3.674
  834   1HD2  ASN 107          1HD2      ASN 107   0.208 -15.583   0.816
  835   2HD2  ASN 107          2HD2      ASN 107  -1.432 -16.103   0.930
  836    H    THR 108           H        THR 108   3.695 -14.193   2.148
  837    HA   THR 108           HA       THR 108   5.726 -15.693   3.603
  838    HB   THR 108           HB       THR 108   7.566 -14.736   2.279
  839    HG1  THR 108           1HG      THR 108   7.154 -13.618   0.412
  840   1HG2  THR 108          1HG2      THR 108   6.944 -15.858  -0.000
  841   2HG2  THR 108          2HG2      THR 108   5.578 -16.479   0.927
  842   3HG2  THR 108          3HG2      THR 108   7.226 -16.830   1.446
  843    H    GLU 109           H        GLU 109   7.620 -13.736   3.902
  844    HA   GLU 109           HA       GLU 109   6.176 -11.848   5.569
  845   1HB   GLU 109          2HB       GLU 109   9.153 -12.259   5.222
  846   2HB   GLU 109          1HB       GLU 109   8.393 -11.244   6.440
  847   1HG   GLU 109          2HG       GLU 109   7.346 -13.203   7.437
  848   2HG   GLU 109          1HG       GLU 109   8.079 -14.228   6.203
  849    H    ARG 110           H        ARG 110   8.180 -11.864   2.696
  850    HA   ARG 110           HA       ARG 110   7.794  -8.960   2.434
  851   1HB   ARG 110          2HB       ARG 110   9.886 -10.829   1.358
  852   2HB   ARG 110          1HB       ARG 110   9.612  -9.257   0.620
  853   1HG   ARG 110          2HG       ARG 110  10.196  -8.127   2.637
  854   2HG   ARG 110          1HG       ARG 110  10.258  -9.649   3.533
  855   1HD   ARG 110          2HD       ARG 110  12.144 -10.378   2.165
  856   2HD   ARG 110          1HD       ARG 110  12.065  -8.879   1.243
  857    HE   ARG 110           HE       ARG 110  12.348  -8.213   3.936
  858   1HH1  ARG 110          1HH1      ARG 110  14.165  -9.797   1.421
  859   2HH1  ARG 110          2HH1      ARG 110  15.704  -9.332   2.062
  860   1HH2  ARG 110          1HH2      ARG 110  14.370  -7.597   4.787
  861   2HH2  ARG 110          2HH2      ARG 110  15.822  -8.081   3.977
  862    H    LEU 111           H        LEU 111   6.084 -11.476   1.626
  863    HA   LEU 111           HA       LEU 111   4.965 -10.244  -0.673
  864   1HB   LEU 111          2HB       LEU 111   6.811 -11.156  -1.856
  865   2HB   LEU 111          1HB       LEU 111   6.622 -12.718  -1.086
  866    HG   LEU 111           HG       LEU 111   4.718 -13.254  -2.384
  867   1HD1  LEU 111          1HD1      LEU 111   4.526 -10.336  -2.695
  868   2HD1  LEU 111          2HD1      LEU 111   3.254 -11.554  -2.575
  869   3HD1  LEU 111          3HD1      LEU 111   4.079 -11.285  -4.111
  870   1HD2  LEU 111          1HD2      LEU 111   7.066 -12.148  -3.749
  871   2HD2  LEU 111          2HD2      LEU 111   5.633 -12.323  -4.764
  872   3HD2  LEU 111          3HD2      LEU 111   6.291 -13.724  -3.917
  873    H    THR 112           H        THR 112   3.088 -10.410   0.550
  874    HA   THR 112           HA       THR 112   1.925 -13.115   0.645
  875    HB   THR 112           HB       THR 112   2.225 -12.352   2.909
  876    HG1  THR 112           1HG      THR 112  -0.066 -12.995   1.938
  877   1HG2  THR 112          1HG2      THR 112   1.895 -10.294   3.718
  878   2HG2  THR 112          2HG2      THR 112   0.444 -10.032   2.748
  879   3HG2  THR 112          3HG2      THR 112   2.039  -9.811   2.028
  880    H    VAL 113           H        VAL 113   0.509 -13.289  -0.997
  881    HA   VAL 113           HA       VAL 113  -0.705 -10.981  -2.195
  882    HB   VAL 113           HB       VAL 113  -1.249 -13.911  -2.695
  883   1HG1  VAL 113          1HG1      VAL 113  -3.074 -13.033  -3.708
  884   2HG1  VAL 113          2HG1      VAL 113  -1.912 -12.678  -4.986
  885   3HG1  VAL 113          3HG1      VAL 113  -2.362 -11.424  -3.833
  886   1HG2  VAL 113          1HG2      VAL 113   0.108 -12.671  -4.830
  887   2HG2  VAL 113          2HG2      VAL 113   0.691 -13.937  -3.751
  888   3HG2  VAL 113          3HG2      VAL 113   0.963 -12.242  -3.348
  889    HA   PRO 114           HA       PRO 114  -4.861 -12.855  -0.412
  890   1HB   PRO 114          2HB       PRO 114  -3.643 -14.433   1.803
  891   2HB   PRO 114          1HB       PRO 114  -5.102 -14.758   0.868
  892   1HG   PRO 114          2HG       PRO 114  -2.894 -16.147   0.395
  893   2HG   PRO 114          1HG       PRO 114  -3.921 -15.601  -0.948
  894   1HD   PRO 114          2HD       PRO 114  -1.315 -14.497   0.018
  895   2HD   PRO 114          1HD       PRO 114  -1.925 -14.671  -1.641
  896    H    HIS 115           H        HIS 115  -1.934 -11.917   1.065
  897    HA   HIS 115           HA       HIS 115  -1.334 -10.439   2.670
  898   1HB   HIS 115          2HB       HIS 115  -2.474  -8.927   1.106
  899   2HB   HIS 115          1HB       HIS 115  -3.991  -9.195   1.949
  900    HD1  HIS 115           1HD      HIS 115  -3.667  -8.604   4.710
  901    HD2  HIS 115           2HD      HIS 115  -1.305  -6.635   1.914
  902    HE1  HIS 115           1HE      HIS 115  -2.843  -6.529   5.867
  903    HE2  HIS 115           2HE      HIS 115  -1.460  -5.327   4.139
  904    H    TYR 116           H        TYR 116  -1.230 -11.188   4.684
  905    HA   TYR 116           HA       TYR 116  -3.447 -12.221   6.069
  906   1HB   TYR 116          2HB       TYR 116  -1.868 -11.695   8.127
  907   2HB   TYR 116          1HB       TYR 116  -1.495 -12.993   7.002
  908    HD1  TYR 116           1HD      TYR 116   0.701 -13.161   6.371
  909    HD2  TYR 116           2HD      TYR 116  -0.847  -9.302   7.269
  910    HE1  TYR 116           1HE      TYR 116   2.918 -12.181   5.961
  911    HE2  TYR 116           2HE      TYR 116   1.363  -8.311   6.858
  912    HH   TYR 116           HH       TYR 116   4.190 -10.191   6.548
  913    H    ASP 117           H        ASP 117  -5.163 -10.945   6.153
  914    HA   ASP 117           HA       ASP 117  -6.568  -9.517   7.255
  915   1HB   ASP 117          2HB       ASP 117  -4.068  -8.193   8.309
  916   2HB   ASP 117          1HB       ASP 117  -5.711  -7.747   8.754
  917    H    MET 118           H        MET 118  -5.953  -9.203   4.535
  918    HA   MET 118           HA       MET 118  -5.258  -6.527   3.888
  919   1HB   MET 118          2HB       MET 118  -6.747  -7.104   1.759
  920   2HB   MET 118          1HB       MET 118  -5.141  -7.813   1.956
  921   1HG   MET 118          2HG       MET 118  -6.219  -9.830   2.901
  922   2HG   MET 118          1HG       MET 118  -7.794  -9.092   2.622
  923   1HE   MET 118          1HE       MET 118  -8.450  -8.109   0.453
  924   2HE   MET 118          2HE       MET 118  -8.353  -9.051  -1.035
  925   3HE   MET 118          3HE       MET 118  -7.137  -7.821  -0.688
  926    H    LYS 119           H        LYS 119  -8.184  -8.067   4.932
  927    HA   LYS 119           HA       LYS 119 -10.051  -6.113   4.179
  928   1HB   LYS 119          2HB       LYS 119 -11.360  -7.072   6.186
  929   2HB   LYS 119          1HB       LYS 119 -10.992  -8.130   4.836
  930   1HG   LYS 119          2HG       LYS 119 -10.574  -9.392   6.768
  931   2HG   LYS 119          1HG       LYS 119  -8.988  -8.920   6.157
  932   1HD   LYS 119          2HD       LYS 119  -9.031  -8.653   8.553
  933   2HD   LYS 119          1HD       LYS 119  -8.961  -7.061   7.795
  934   1HE   LYS 119          2HE       LYS 119 -11.361  -6.788   8.116
  935   2HE   LYS 119          1HE       LYS 119 -11.458  -8.397   8.832
  936   1HZ   LYS 119          1HZ       LYS 119  -9.792  -7.514  10.515
  937   2HZ   LYS 119          2HZ       LYS 119 -11.381  -6.943  10.633
  938   3HZ   LYS 119          3HZ       LYS 119 -10.184  -5.972   9.938
  939    H    ASN 120           H        ASN 120  -7.696  -6.161   6.694
  940    HA   ASN 120           HA       ASN 120  -8.957  -4.103   8.264
  941   1HB   ASN 120          2HB       ASN 120  -6.387  -5.616   8.401
  942   2HB   ASN 120          1HB       ASN 120  -6.513  -4.096   9.276
  943   1HD2  ASN 120          1HD2      ASN 120  -6.897  -7.342   9.530
  944   2HD2  ASN 120          2HD2      ASN 120  -7.999  -7.404  10.858
  945    H    ARG 121           H        ARG 121  -8.084  -3.788   5.327
  946    HA   ARG 121           HA       ARG 121  -6.963  -1.122   5.717
  947   1HB   ARG 121          2HB       ARG 121  -5.806  -3.134   3.784
  948   2HB   ARG 121          1HB       ARG 121  -5.327  -1.448   3.914
  949   1HG   ARG 121          2HG       ARG 121  -4.570  -1.851   6.213
  950   2HG   ARG 121          1HG       ARG 121  -5.015  -3.551   6.044
  951   1HD   ARG 121          2HD       ARG 121  -3.436  -3.755   4.169
  952   2HD   ARG 121          1HD       ARG 121  -2.964  -2.071   4.402
  953    HE   ARG 121           HE       ARG 121  -2.642  -3.477   6.819
  954   1HH1  ARG 121          1HH1      ARG 121  -1.233  -3.202   3.643
  955   2HH1  ARG 121          2HH1      ARG 121   0.348  -3.685   4.163
  956   1HH2  ARG 121          1HH2      ARG 121  -0.563  -4.113   7.510
  957   2HH2  ARG 121          2HH2      ARG 121   0.727  -4.204   6.359
  958    H    GLY 122           H        GLY 122  -9.426  -0.987   5.223
  959   1HA   GLY 122          2HA       GLY 122 -10.330  -1.393   2.539
  960   2HA   GLY 122          1HA       GLY 122 -11.087  -0.348   3.749
  961    H    PHE 123           H        PHE 123  -8.184   0.786   3.906
  962    HA   PHE 123           HA       PHE 123  -8.679   2.939   2.037
  963   1HB   PHE 123          2HB       PHE 123  -6.494   3.807   3.132
  964   2HB   PHE 123          1HB       PHE 123  -7.963   3.765   4.097
  965    HD1  PHE 123           1HD      PHE 123  -4.921   1.759   3.338
  966    HD2  PHE 123           2HD      PHE 123  -7.966   2.714   6.149
  967    HE1  PHE 123           1HE      PHE 123  -3.781   0.387   5.033
  968    HE2  PHE 123           2HE      PHE 123  -6.832   1.347   7.851
  969    HZ   PHE 123           HZ       PHE 123  -4.735   0.182   7.294
  970    H    MET 124           H        MET 124  -7.493  -0.009   1.726
  971    HA   MET 124           HA       MET 124  -5.579   0.759  -0.370
  972   1HB   MET 124          2HB       MET 124  -5.364  -1.624   1.482
  973   2HB   MET 124          1HB       MET 124  -4.288  -1.285   0.136
  974   1HG   MET 124          2HG       MET 124  -4.625   0.726   2.309
  975   2HG   MET 124          1HG       MET 124  -3.596  -0.678   2.564
  976   1HE   MET 124          1HE       MET 124  -4.199   1.481  -0.733
  977   2HE   MET 124          2HE       MET 124  -2.844   2.602  -0.604
  978   3HE   MET 124          3HE       MET 124  -4.143   2.648   0.587
  979    H    LEU 125           H        LEU 125  -7.990  -1.543   0.798
  980    HA   LEU 125           HA       LEU 125  -8.002  -3.001  -1.685
  981   1HB   LEU 125          2HB       LEU 125  -9.758  -3.195   0.749
  982   2HB   LEU 125          1HB       LEU 125  -9.849  -4.273  -0.624
  983    HG   LEU 125           HG       LEU 125  -7.642  -4.017   1.397
  984   1HD1  LEU 125          1HD1      LEU 125  -8.137  -6.228   1.960
  985   2HD1  LEU 125          2HD1      LEU 125  -9.101  -6.474   0.505
  986   3HD1  LEU 125          3HD1      LEU 125  -9.702  -5.434   1.796
  987   1HD2  LEU 125          1HD2      LEU 125  -7.372  -4.657  -1.374
  988   2HD2  LEU 125          2HD2      LEU 125  -7.071  -6.104  -0.412
  989   3HD2  LEU 125          3HD2      LEU 125  -6.137  -4.637  -0.116
  990    H    TRP 126           H        TRP 126 -10.318  -0.835   0.016
  991    HA   TRP 126           HA       TRP 126 -12.310  -0.907  -1.940
  992   1HB   TRP 126          2HB       TRP 126 -12.985   0.298   0.028
  993   2HB   TRP 126          1HB       TRP 126 -11.515   1.273  -0.006
  994    HD1  TRP 126           HD       TRP 126 -12.449   3.578  -0.188
  995    HE1  TRP 126           1HE      TRP 126 -13.918   4.853  -1.880
  996    HE3  TRP 126           3HE      TRP 126 -13.968  -0.353  -3.052
  997    HZ2  TRP 126           2HZ      TRP 126 -15.527   4.257  -4.121
  998    HZ3  TRP 126           3HZ      TRP 126 -15.481   0.074  -4.944
  999    HH2  TRP 126           HH       TRP 126 -16.244   2.332  -5.465
 1000    HA   PRO 127           HA       PRO 127  -9.885   2.917  -3.977
 1001   1HB   PRO 127          2HB       PRO 127  -7.145   2.387  -3.658
 1002   2HB   PRO 127          1HB       PRO 127  -8.044   3.702  -2.903
 1003   1HG   PRO 127          2HG       PRO 127  -7.236   1.071  -1.793
 1004   2HG   PRO 127          1HG       PRO 127  -7.414   2.633  -0.978
 1005   1HD   PRO 127          2HD       PRO 127  -9.226   0.679  -0.679
 1006   2HD   PRO 127          1HD       PRO 127  -9.703   2.389  -0.735
 1007    H    LEU 128           H        LEU 128  -8.187  -0.192  -3.588
 1008    HA   LEU 128           HA       LEU 128  -7.438  -0.430  -6.308
 1009   1HB   LEU 128          2HB       LEU 128  -6.344  -1.711  -4.511
 1010   2HB   LEU 128          1HB       LEU 128  -7.831  -2.594  -4.237
 1011    HG   LEU 128           HG       LEU 128  -7.692  -3.586  -6.472
 1012   1HD1  LEU 128          1HD1      LEU 128  -5.309  -1.800  -6.706
 1013   2HD1  LEU 128          2HD1      LEU 128  -6.624  -2.069  -7.849
 1014   3HD1  LEU 128          3HD1      LEU 128  -5.391  -3.308  -7.617
 1015   1HD2  LEU 128          1HD2      LEU 128  -5.889  -4.057  -4.317
 1016   2HD2  LEU 128          2HD2      LEU 128  -5.076  -4.394  -5.844
 1017   3HD2  LEU 128          3HD2      LEU 128  -6.590  -5.206  -5.454
 1018    H    PHE 129           H        PHE 129 -10.338  -1.102  -4.548
 1019    HA   PHE 129           HA       PHE 129 -11.512  -2.913  -6.371
 1020   1HB   PHE 129          2HB       PHE 129 -12.289  -2.498  -4.007
 1021   2HB   PHE 129          1HB       PHE 129 -12.977  -0.980  -4.569
 1022    HD1  PHE 129           1HD      PHE 129 -14.832  -1.019  -6.234
 1023    HD2  PHE 129           2HD      PHE 129 -13.404  -4.559  -4.336
 1024    HE1  PHE 129           1HE      PHE 129 -16.902  -2.186  -6.867
 1025    HE2  PHE 129           2HE      PHE 129 -15.469  -5.731  -4.985
 1026    HZ   PHE 129           HZ       PHE 129 -17.220  -4.548  -6.246
 1027    H    GLU 130           H        GLU 130 -11.211   0.571  -6.263
 1028    HA   GLU 130           HA       GLU 130 -13.152   0.986  -8.359
 1029   1HB   GLU 130          2HB       GLU 130 -12.723   2.694  -6.589
 1030   2HB   GLU 130          1HB       GLU 130 -11.120   2.943  -7.269
 1031   1HG   GLU 130          2HG       GLU 130 -12.066   3.727  -9.339
 1032   2HG   GLU 130          1HG       GLU 130 -13.694   3.356  -8.773
 1033    H    ILE 131           H        ILE 131  -9.611   1.033  -8.062
 1034    HA   ILE 131           HA       ILE 131  -9.201   1.593 -10.845
 1035    HB   ILE 131           HB       ILE 131  -6.846   1.122 -10.435
 1036   1HG1  ILE 131          2HG1      ILE 131  -7.737   0.379  -7.633
 1037   2HG1  ILE 131          1HG1      ILE 131  -7.080  -0.724  -8.841
 1038   1HG2  ILE 131          1HG2      ILE 131  -8.445   3.093  -9.099
 1039   2HG2  ILE 131          2HG2      ILE 131  -6.845   3.252  -9.822
 1040   3HG2  ILE 131          3HG2      ILE 131  -7.008   2.727  -8.147
 1041   1HD1  ILE 131          1HD1      ILE 131  -5.490   1.648  -7.982
 1042   2HD1  ILE 131          2HD1      ILE 131  -4.941   0.099  -8.620
 1043   3HD1  ILE 131          3HD1      ILE 131  -5.553   0.205  -6.969
 1044    H    ALA 132           H        ALA 132 -10.134  -1.126  -9.124
 1045    HA   ALA 132           HA       ALA 132 -10.204  -2.812 -11.385
 1046   1HB   ALA 132          1HB       ALA 132  -8.358  -4.062  -9.447
 1047   2HB   ALA 132          2HB       ALA 132  -7.691  -2.772 -10.448
 1048   3HB   ALA 132          3HB       ALA 132  -8.420  -4.188 -11.206
 1049    HA   PRO 133           HA       PRO 133 -12.946  -4.217  -7.963
 1050   1HB   PRO 133          2HB       PRO 133 -15.291  -3.866  -9.185
 1051   2HB   PRO 133          1HB       PRO 133 -14.388  -2.487  -8.550
 1052   1HG   PRO 133          2HG       PRO 133 -14.705  -3.411 -11.364
 1053   2HG   PRO 133          1HG       PRO 133 -14.572  -1.763 -10.730
 1054   1HD   PRO 133          2HD       PRO 133 -12.499  -3.300 -11.871
 1055   2HD   PRO 133          1HD       PRO 133 -12.319  -1.776 -10.981
 1056    H    GLU 134           H        GLU 134 -11.562  -5.980  -9.871
 1057    HA   GLU 134           HA       GLU 134 -13.602  -8.073 -10.028
 1058   1HB   GLU 134          2HB       GLU 134 -11.812  -7.284 -12.334
 1059   2HB   GLU 134          1HB       GLU 134 -12.794  -8.741 -12.287
 1060   1HG   GLU 134          2HG       GLU 134 -14.815  -7.375 -12.144
 1061   2HG   GLU 134          1HG       GLU 134 -13.828  -5.916 -12.194
 1062    H    LEU 135           H        LEU 135 -10.704  -7.077  -8.990
 1063    HA   LEU 135           HA       LEU 135  -9.082  -9.397  -9.424
 1064   1HB   LEU 135          2HB       LEU 135  -8.363  -6.982  -8.912
 1065   2HB   LEU 135          1HB       LEU 135  -8.739  -7.351  -7.242
 1066    HG   LEU 135           HG       LEU 135  -6.720  -8.862  -8.897
 1067   1HD1  LEU 135          1HD1      LEU 135  -6.367  -6.327  -8.232
 1068   2HD1  LEU 135          2HD1      LEU 135  -5.059  -7.507  -8.129
 1069   3HD1  LEU 135          3HD1      LEU 135  -5.951  -7.049  -6.676
 1070   1HD2  LEU 135          1HD2      LEU 135  -6.980  -8.820  -5.908
 1071   2HD2  LEU 135          2HD2      LEU 135  -6.111  -9.966  -6.930
 1072   3HD2  LEU 135          3HD2      LEU 135  -7.874  -9.976  -6.897
 1073    H    VAL 136           H        VAL 136 -10.425 -11.100  -8.769
 1074    HA   VAL 136           HA       VAL 136 -10.573 -11.464  -5.857
 1075    HB   VAL 136           HB       VAL 136 -12.827 -10.977  -6.494
 1076   1HG1  VAL 136          1HG1      VAL 136 -13.121 -13.198  -8.411
 1077   2HG1  VAL 136          2HG1      VAL 136 -12.192 -11.808  -8.974
 1078   3HG1  VAL 136          3HG1      VAL 136 -13.848 -11.590  -8.412
 1079   1HG2  VAL 136          1HG2      VAL 136 -12.195 -13.139  -5.111
 1080   2HG2  VAL 136          2HG2      VAL 136 -12.974 -13.945  -6.472
 1081   3HG2  VAL 136          3HG2      VAL 136 -13.868 -12.761  -5.521
 1082    H    PHE 137           H        PHE 137  -9.098 -12.998  -5.477
 1083    HA   PHE 137           HA       PHE 137  -9.424 -15.645  -6.302
 1084   1HB   PHE 137          2HB       PHE 137  -8.757 -14.746  -8.501
 1085   2HB   PHE 137          1HB       PHE 137  -7.228 -14.226  -7.811
 1086    HD1  PHE 137           1HD      PHE 137  -5.590 -15.514  -8.828
 1087    HD2  PHE 137           2HD      PHE 137  -9.116 -17.399  -7.373
 1088    HE1  PHE 137           1HE      PHE 137  -4.615 -17.716  -9.333
 1089    HE2  PHE 137           2HE      PHE 137  -8.149 -19.606  -7.877
 1090    HZ   PHE 137           HZ       PHE 137  -5.886 -19.754  -8.890
 1091    HA   PRO 138           HA       PRO 138  -4.804 -14.511  -4.356
 1092   1HB   PRO 138          2HB       PRO 138  -6.049 -12.793  -2.343
 1093   2HB   PRO 138          1HB       PRO 138  -4.608 -12.505  -3.318
 1094   1HG   PRO 138          2HG       PRO 138  -7.348 -11.606  -3.768
 1095   2HG   PRO 138          1HG       PRO 138  -5.852 -11.065  -4.546
 1096   1HD   PRO 138          2HD       PRO 138  -7.749 -12.473  -5.867
 1097   2HD   PRO 138          1HD       PRO 138  -6.016 -12.639  -6.233
 1098    H    ASP 139           H        ASP 139  -7.857 -14.278  -2.565
 1099    HA   ASP 139           HA       ASP 139  -7.165 -16.754  -1.135
 1100   1HB   ASP 139          2HB       ASP 139  -6.922 -14.748   0.333
 1101   2HB   ASP 139          1HB       ASP 139  -8.615 -14.366   0.040
 1102    H    GLY 140           H        GLY 140  -9.332 -14.955  -3.004
 1103   1HA   GLY 140          2HA       GLY 140 -11.055 -16.267  -4.163
 1104   2HA   GLY 140          1HA       GLY 140 -11.469 -16.962  -2.600
 1105    H    GLU 141           H        GLU 141 -10.630 -13.647  -2.869
 1106    HA   GLU 141           HA       GLU 141 -13.337 -12.705  -3.203
 1107   1HB   GLU 141          2HB       GLU 141 -11.887 -12.057  -0.632
 1108   2HB   GLU 141          1HB       GLU 141 -13.489 -11.520  -1.107
 1109   1HG   GLU 141          2HG       GLU 141 -14.283 -13.845  -1.007
 1110   2HG   GLU 141          1HG       GLU 141 -12.684 -14.345  -0.461
 1111    H    MET 142           H        MET 142 -13.411 -10.499  -3.634
 1112    HA   MET 142           HA       MET 142 -11.152  -9.394  -4.884
 1113   1HB   MET 142          2HB       MET 142 -13.609  -7.948  -3.880
 1114   2HB   MET 142          1HB       MET 142 -12.444  -7.320  -5.040
 1115   1HG   MET 142          2HG       MET 142 -13.041  -9.059  -6.611
 1116   2HG   MET 142          1HG       MET 142 -14.162  -9.735  -5.439
 1117   1HE   MET 142          1HE       MET 142 -16.352  -9.536  -7.242
 1118   2HE   MET 142          2HE       MET 142 -14.948  -9.247  -8.269
 1119   3HE   MET 142          3HE       MET 142 -16.340  -8.166  -8.355
 1120    H    LEU 143           H        LEU 143 -11.117  -6.783  -4.001
 1121    HA   LEU 143           HA       LEU 143  -9.443  -7.001  -1.658
 1122   1HB   LEU 143          2HB       LEU 143 -10.300  -4.486  -3.073
 1123   2HB   LEU 143          1HB       LEU 143  -8.885  -4.720  -2.072
 1124    HG   LEU 143           HG       LEU 143  -8.129  -4.565  -4.265
 1125   1HD1  LEU 143          1HD1      LEU 143  -7.022  -6.305  -3.004
 1126   2HD1  LEU 143          2HD1      LEU 143  -7.136  -6.780  -4.698
 1127   3HD1  LEU 143          3HD1      LEU 143  -8.234  -7.480  -3.510
 1128   1HD2  LEU 143          1HD2      LEU 143  -9.377  -5.029  -6.028
 1129   2HD2  LEU 143          2HD2      LEU 143 -10.605  -5.716  -4.966
 1130   3HD2  LEU 143          3HD2      LEU 143  -9.337  -6.748  -5.629
 1131    H    ARG 144           H        ARG 144 -11.904  -4.731  -2.580
 1132    HA   ARG 144           HA       ARG 144 -12.720  -3.912  -0.056
 1133   1HB   ARG 144          2HB       ARG 144 -13.246  -2.647  -2.052
 1134   2HB   ARG 144          1HB       ARG 144 -14.143  -3.994  -2.699
 1135   1HG   ARG 144          2HG       ARG 144 -15.744  -3.773  -0.818
 1136   2HG   ARG 144          1HG       ARG 144 -14.893  -2.314  -0.313
 1137   1HD   ARG 144          2HD       ARG 144 -15.428  -1.225  -2.389
 1138   2HD   ARG 144          1HD       ARG 144 -16.106  -2.711  -3.047
 1139    HE   ARG 144           HE       ARG 144 -17.497  -2.048  -0.707
 1140   1HH1  ARG 144          1HH1      ARG 144 -17.041  -0.883  -3.959
 1141   2HH1  ARG 144          2HH1      ARG 144 -18.605  -0.146  -4.053
 1142   1HH2  ARG 144          1HH2      ARG 144 -19.562  -1.081  -0.823
 1143   2HH2  ARG 144          2HH2      ARG 144 -20.036  -0.258  -2.272
 1144    H    GLN 145           H        GLN 145 -13.310  -6.681  -1.913
 1145    HA   GLN 145           HA       GLN 145 -15.770  -7.548  -1.094
 1146   1HB   GLN 145          2HB       GLN 145 -13.889  -8.609  -2.629
 1147   2HB   GLN 145          1HB       GLN 145 -13.563  -9.535  -1.165
 1148   1HG   GLN 145          2HG       GLN 145 -15.111 -10.727  -2.555
 1149   2HG   GLN 145          1HG       GLN 145 -15.898 -10.168  -1.067
 1150   1HE2  GLN 145          1HE2      GLN 145 -15.273  -7.596  -3.071
 1151   2HE2  GLN 145          2HE2      GLN 145 -16.823  -7.416  -3.782
 1152    H    ILE 146           H        ILE 146 -12.671  -8.391   0.375
 1153    HA   ILE 146           HA       ILE 146 -13.883  -9.571   2.653
 1154    HB   ILE 146           HB       ILE 146 -11.054  -8.582   2.470
 1155   1HG1  ILE 146          2HG1      ILE 146 -12.174 -11.181   1.413
 1156   2HG1  ILE 146          1HG1      ILE 146 -11.563  -9.850   0.434
 1157   1HG2  ILE 146          1HG2      ILE 146 -11.943  -9.434   4.648
 1158   2HG2  ILE 146          2HG2      ILE 146 -10.565 -10.342   4.026
 1159   3HG2  ILE 146          3HG2      ILE 146 -12.195 -10.995   3.868
 1160   1HD1  ILE 146          1HD1      ILE 146  -9.471 -10.428   2.138
 1161   2HD1  ILE 146          2HD1      ILE 146  -9.619 -10.911   0.448
 1162   3HD1  ILE 146          3HD1      ILE 146 -10.138 -12.007   1.729
 1163    H    LEU 147           H        LEU 147 -13.202  -6.363   1.672
 1164    HA   LEU 147           HA       LEU 147 -12.866  -5.200   4.279
 1165   1HB   LEU 147          2HB       LEU 147 -13.834  -3.975   1.710
 1166   2HB   LEU 147          1HB       LEU 147 -13.423  -3.086   3.156
 1167    HG   LEU 147           HG       LEU 147 -11.531  -4.624   1.402
 1168   1HD1  LEU 147          1HD1      LEU 147 -10.733  -2.058   1.431
 1169   2HD1  LEU 147          2HD1      LEU 147 -12.471  -1.842   1.651
 1170   3HD1  LEU 147          3HD1      LEU 147 -11.860  -2.715   0.242
 1171   1HD2  LEU 147          1HD2      LEU 147 -11.105  -3.114   3.981
 1172   2HD2  LEU 147          2HD2      LEU 147  -9.805  -3.527   2.864
 1173   3HD2  LEU 147          3HD2      LEU 147 -10.731  -4.805   3.651
 1174    H    HIS 148           H        HIS 148 -15.435  -4.827   1.913
 1175    HA   HIS 148           HA       HIS 148 -17.326  -3.561   3.344
 1176   1HB   HIS 148          2HB       HIS 148 -17.206  -4.363   0.875
 1177   2HB   HIS 148          1HB       HIS 148 -18.149  -5.731   1.463
 1178    HD1  HIS 148           1HD      HIS 148 -19.858  -4.442  -0.359
 1179    HD2  HIS 148           2HD      HIS 148 -19.296  -2.741   3.393
 1180    HE1  HIS 148           1HE      HIS 148 -21.813  -2.897  -0.025
 1181    HE2  HIS 148           2HE      HIS 148 -21.406  -1.809   2.211
 1182    H    THR 149           H        THR 149 -16.613  -6.967   3.381
 1183    HA   THR 149           HA       THR 149 -18.908  -7.487   5.088
 1184    HB   THR 149           HB       THR 149 -18.540  -9.194   3.519
 1185    HG1  THR 149           1HG      THR 149 -19.012 -10.248   5.331
 1186   1HG2  THR 149          1HG2      THR 149 -16.543  -9.394   2.587
 1187   2HG2  THR 149          2HG2      THR 149 -16.132 -10.422   3.963
 1188   3HG2  THR 149          3HG2      THR 149 -15.722  -8.707   3.992
 1189    H    ARG 150           H        ARG 150 -15.501  -6.848   5.471
 1190    HA   ARG 150           HA       ARG 150 -15.780  -7.630   8.300
 1191   1HB   ARG 150          2HB       ARG 150 -13.264  -7.549   6.649
 1192   2HB   ARG 150          1HB       ARG 150 -13.362  -7.996   8.347
 1193   1HG   ARG 150          2HG       ARG 150 -14.643  -9.458   6.048
 1194   2HG   ARG 150          1HG       ARG 150 -13.213  -9.967   6.946
 1195   1HD   ARG 150          2HD       ARG 150 -14.537 -10.171   8.976
 1196   2HD   ARG 150          1HD       ARG 150 -15.966  -9.594   8.122
 1197    HE   ARG 150           HE       ARG 150 -16.294 -11.732   7.427
 1198   1HH1  ARG 150          1HH1      ARG 150 -12.892 -11.324   8.069
 1199   2HH1  ARG 150          2HH1      ARG 150 -12.492 -12.962   7.677
 1200   1HH2  ARG 150          1HH2      ARG 150 -15.773 -13.890   6.910
 1201   2HH2  ARG 150          2HH2      ARG 150 -14.128 -14.420   7.018
 1202    H    ALA 151           H        ALA 151 -15.861  -4.805   6.616
 1203    HA   ALA 151           HA       ALA 151 -15.571  -3.082   8.678
 1204   1HB   ALA 151          1HB       ALA 151 -13.161  -2.178   8.036
 1205   2HB   ALA 151          2HB       ALA 151 -12.902  -3.878   7.641
 1206   3HB   ALA 151          3HB       ALA 151 -13.392  -3.417   9.270
 1207    H    PHE 152           H        PHE 152 -13.652  -2.914   5.683
 1208    HA   PHE 152           HA       PHE 152 -13.591  -1.288   4.062
 1209   1HB   PHE 152          2HB       PHE 152 -15.111  -2.853   3.124
 1210   2HB   PHE 152          1HB       PHE 152 -16.450  -2.243   4.073
 1211    HD1  PHE 152           1HD      PHE 152 -17.997  -0.994   2.925
 1212    HD2  PHE 152           2HD      PHE 152 -13.947  -0.963   1.624
 1213    HE1  PHE 152           1HE      PHE 152 -18.602   0.502   1.067
 1214    HE2  PHE 152           2HE      PHE 152 -14.548   0.528  -0.237
 1215    HZ   PHE 152           HZ       PHE 152 -16.960   1.150  -0.578
 1216    H    ASP 153           H        ASP 153 -16.889  -0.694   4.947
 1217    HA   ASP 153           HA       ASP 153 -18.013   1.086   5.622
 1218   1HB   ASP 153          2HB       ASP 153 -15.362   1.923   6.814
 1219   2HB   ASP 153          1HB       ASP 153 -16.879   2.770   7.101
 1220    H    LYS 154           H        LYS 154 -15.674   1.100   3.369
 1221    HA   LYS 154           HA       LYS 154 -15.349   2.299   1.471
 1222   1HB   LYS 154          2HB       LYS 154 -17.610   2.875   1.256
 1223   2HB   LYS 154          1HB       LYS 154 -17.565   3.941   2.654
 1224   1HG   LYS 154          2HG       LYS 154 -17.674   5.289   0.708
 1225   2HG   LYS 154          1HG       LYS 154 -16.052   5.430   1.374
 1226   1HD   LYS 154          2HD       LYS 154 -15.112   4.150  -0.286
 1227   2HD   LYS 154          1HD       LYS 154 -16.673   3.479  -0.796
 1228   1HE   LYS 154          2HE       LYS 154 -15.844   5.149  -2.388
 1229   2HE   LYS 154          1HE       LYS 154 -17.347   5.672  -1.628
 1230   1HZ   LYS 154          1HZ       LYS 154 -16.312   7.517  -1.027
 1231   2HZ   LYS 154          2HZ       LYS 154 -14.840   6.959  -1.648
 1232   3HZ   LYS 154          3HZ       LYS 154 -15.266   6.614  -0.049
 1233    H    LEU 155           H        LEU 155 -15.073   3.736   4.570
 1234    HA   LEU 155           HA       LEU 155 -13.719   5.338   5.446
 1235   1HB   LEU 155          2HB       LEU 155 -11.949   4.675   3.094
 1236   2HB   LEU 155          1HB       LEU 155 -11.450   5.406   4.606
 1237    HG   LEU 155           HG       LEU 155 -12.319   2.559   4.124
 1238   1HD1  LEU 155          1HD1      LEU 155 -10.163   1.983   4.823
 1239   2HD1  LEU 155          2HD1      LEU 155  -9.857   3.583   5.498
 1240   3HD1  LEU 155          3HD1      LEU 155  -9.939   3.364   3.750
 1241   1HD2  LEU 155          1HD2      LEU 155 -12.051   2.239   6.574
 1242   2HD2  LEU 155          2HD2      LEU 155 -13.439   3.238   6.146
 1243   3HD2  LEU 155          3HD2      LEU 155 -11.966   3.990   6.760
 1244    H    ASN 156           H        ASN 156 -11.914   7.134   4.066
 1245    HA   ASN 156           HA       ASN 156 -13.835   8.741   2.526
 1246   1HB   ASN 156          2HB       ASN 156 -11.826   9.821   4.511
 1247   2HB   ASN 156          1HB       ASN 156 -13.023  10.750   3.615
 1248   1HD2  ASN 156          1HD2      ASN 156 -14.797  11.227   4.674
 1249   2HD2  ASN 156          2HD2      ASN 156 -15.445  10.370   6.026
 1250    H    LYS 157           H        LYS 157 -13.100   9.408   0.589
 1251    HA   LYS 157           HA       LYS 157 -10.525   8.615  -0.304
 1252   1HB   LYS 157          2HB       LYS 157 -12.510   8.823  -1.766
 1253   2HB   LYS 157          1HB       LYS 157 -12.425  10.568  -1.602
 1254   1HG   LYS 157          2HG       LYS 157 -10.242  10.574  -2.676
 1255   2HG   LYS 157          1HG       LYS 157 -10.302   8.816  -2.818
 1256   1HD   LYS 157          2HD       LYS 157 -12.206  10.774  -4.103
 1257   2HD   LYS 157          1HD       LYS 157 -10.931   9.871  -4.923
 1258   1HE   LYS 157          2HE       LYS 157 -12.044   7.770  -4.334
 1259   2HE   LYS 157          1HE       LYS 157 -13.316   8.672  -3.510
 1260   1HZ   LYS 157          1HZ       LYS 157 -14.266   8.329  -5.542
 1261   2HZ   LYS 157          2HZ       LYS 157 -12.800   8.388  -6.384
 1262   3HZ   LYS 157          3HZ       LYS 157 -13.516   9.818  -5.833
 1263    H    TRP 158           H        TRP 158  -9.109   9.535   1.132
 1264    HA   TRP 158           HA       TRP 158  -7.593  11.011   1.874
 1265   1HB   TRP 158          2HB       TRP 158  -7.143  11.353  -0.507
 1266   2HB   TRP 158          1HB       TRP 158  -8.424  12.554  -0.593
 1267    HD1  TRP 158           HD       TRP 158  -7.197  14.760  -1.029
 1268    HE1  TRP 158           1HE      TRP 158  -5.279  16.049   0.100
 1269    HE3  TRP 158           3HE      TRP 158  -5.761  11.250   2.406
 1270    HZ2  TRP 158           2HZ      TRP 158  -3.408  15.638   2.169
 1271    HZ3  TRP 158           3HZ      TRP 158  -3.898  11.781   3.922
 1272    HH2  TRP 158           HH       TRP 158  -2.747  13.929   3.805
  Start of MODEL   18
    1   1H    THR   1          1HT       THR   1   4.407  -8.675 -14.595
    2   2H    THR   1          2HT       THR   1   4.479 -10.220 -15.280
    3   3H    THR   1          3HT       THR   1   5.366  -9.874 -13.882
    4    HA   THR   1           HA       THR   1   2.611 -10.633 -14.178
    5    HB   THR   1           HB       THR   1   4.580 -10.577 -11.882
    6    HG1  THR   1           1HG      THR   1   4.718 -12.020 -13.931
    7   1HG2  THR   1          1HG2      THR   1   2.452 -10.718 -10.869
    8   2HG2  THR   1          2HG2      THR   1   3.093 -12.362 -10.931
    9   3HG2  THR   1          3HG2      THR   1   1.869 -11.848 -12.093
   10    H    VAL   2           H        VAL   2   0.845  -9.624 -13.468
   11    HA   VAL   2           HA       VAL   2   1.012  -6.890 -12.621
   12    HB   VAL   2           HB       VAL   2  -0.817  -7.460 -14.041
   13   1HG1  VAL   2          1HG1      VAL   2  -2.021  -9.309 -12.033
   14   2HG1  VAL   2          2HG1      VAL   2  -0.790  -9.903 -13.147
   15   3HG1  VAL   2          3HG1      VAL   2  -2.287  -9.213 -13.775
   16   1HG2  VAL   2          1HG2      VAL   2  -2.681  -6.599 -12.826
   17   2HG2  VAL   2          2HG2      VAL   2  -1.230  -5.826 -12.188
   18   3HG2  VAL   2          3HG2      VAL   2  -1.999  -7.133 -11.290
   19    H    ALA   3           H        ALA   3   1.772  -6.552 -10.631
   20    HA   ALA   3           HA       ALA   3   0.742  -8.193  -8.423
   21   1HB   ALA   3          1HB       ALA   3   2.777  -6.603  -7.415
   22   2HB   ALA   3          2HB       ALA   3   3.324  -7.044  -9.033
   23   3HB   ALA   3          3HB       ALA   3   2.892  -8.301  -7.874
   24    H    TYR   4           H        TYR   4  -0.324  -7.316  -6.713
   25    HA   TYR   4           HA       TYR   4  -1.212  -4.548  -7.058
   26   1HB   TYR   4          2HB       TYR   4  -2.277  -6.800  -5.348
   27   2HB   TYR   4          1HB       TYR   4  -2.929  -5.166  -5.332
   28    HD1  TYR   4           1HD      TYR   4  -1.934  -7.602  -7.994
   29    HD2  TYR   4           2HD      TYR   4  -4.932  -4.994  -6.472
   30    HE1  TYR   4           1HE      TYR   4  -3.392  -8.182  -9.886
   31    HE2  TYR   4           2HE      TYR   4  -6.399  -5.570  -8.360
   32    HH   TYR   4           HH       TYR   4  -6.394  -7.944 -10.034
   33    H    ILE   5           H        ILE   5   0.201  -3.189  -6.176
   34    HA   ILE   5           HA       ILE   5   1.425  -3.750  -3.592
   35    HB   ILE   5           HB       ILE   5   1.931  -1.176  -4.989
   36   1HG1  ILE   5          2HG1      ILE   5   2.813  -3.868  -6.057
   37   2HG1  ILE   5          1HG1      ILE   5   1.832  -2.675  -6.891
   38   1HG2  ILE   5          1HG2      ILE   5   4.283  -2.584  -4.352
   39   2HG2  ILE   5          2HG2      ILE   5   3.159  -2.849  -3.019
   40   3HG2  ILE   5          3HG2      ILE   5   3.579  -1.207  -3.506
   41   1HD1  ILE   5          1HD1      ILE   5   4.412  -2.958  -7.349
   42   2HD1  ILE   5          2HD1      ILE   5   4.518  -1.837  -5.990
   43   3HD1  ILE   5          3HD1      ILE   5   3.607  -1.390  -7.433
   44    H    ALA   6           H        ALA   6   0.891  -2.741  -1.726
   45    HA   ALA   6           HA       ALA   6  -1.291  -0.775  -1.851
   46   1HB   ALA   6          1HB       ALA   6  -1.992  -1.497   0.270
   47   2HB   ALA   6          2HB       ALA   6  -0.458  -2.300   0.596
   48   3HB   ALA   6          3HB       ALA   6  -1.568  -2.971  -0.599
   49    H    ILE   7           H        ILE   7  -0.666   1.291  -1.639
   50    HA   ILE   7           HA       ILE   7   1.761   1.910  -0.126
   51    HB   ILE   7           HB       ILE   7   0.056   3.628  -1.933
   52   1HG1  ILE   7          2HG1      ILE   7   2.881   2.568  -2.180
   53   2HG1  ILE   7          1HG1      ILE   7   1.485   2.032  -3.106
   54   1HG2  ILE   7          1HG2      ILE   7   2.648   4.514  -0.711
   55   2HG2  ILE   7          2HG2      ILE   7   1.110   4.783   0.110
   56   3HG2  ILE   7          3HG2      ILE   7   1.392   5.484  -1.483
   57   1HD1  ILE   7          1HD1      ILE   7   2.557   3.433  -4.582
   58   2HD1  ILE   7          2HD1      ILE   7   3.038   4.570  -3.320
   59   3HD1  ILE   7          3HD1      ILE   7   1.360   4.508  -3.861
   60    H    GLY   8           H        GLY   8   1.788   3.057   1.757
   61   1HA   GLY   8          2HA       GLY   8  -0.766   4.133   2.740
   62   2HA   GLY   8          1HA       GLY   8   0.109   2.975   3.727
   63    H    SER   9           H        SER   9  -0.598   6.056   3.611
   64    HA   SER   9           HA       SER   9   1.811   6.844   5.040
   65   1HB   SER   9          2HB       SER   9   1.778   9.082   3.817
   66   2HB   SER   9          1HB       SER   9   2.399   7.711   2.907
   67    HG   SER   9           HG       SER   9   0.632   7.709   1.670
   68    H    ASN  10           H        ASN  10   1.495   8.916   6.212
   69    HA   ASN  10           HA       ASN  10  -1.046  10.085   6.530
   70   1HB   ASN  10          2HB       ASN  10  -1.389   9.142   8.921
   71   2HB   ASN  10          1HB       ASN  10  -1.883   8.160   7.543
   72   1HD2  ASN  10          1HD2      ASN  10  -1.290   6.128   7.624
   73   2HD2  ASN  10          2HD2      ASN  10   0.076   5.493   8.471
   74    H    LEU  11           H        LEU  11  -0.092  12.021   6.687
   75    HA   LEU  11           HA       LEU  11   1.226  12.688   9.180
   76   1HB   LEU  11          2HB       LEU  11   2.577  12.907   6.497
   77   2HB   LEU  11          1HB       LEU  11   3.063  13.893   7.865
   78    HG   LEU  11           HG       LEU  11   3.166  10.879   7.719
   79   1HD1  LEU  11          1HD1      LEU  11   5.285  13.010   7.603
   80   2HD1  LEU  11          2HD1      LEU  11   4.896  11.803   6.378
   81   3HD1  LEU  11          3HD1      LEU  11   5.628  11.306   7.903
   82   1HD2  LEU  11          1HD2      LEU  11   4.424  12.482   9.891
   83   2HD2  LEU  11          2HD2      LEU  11   3.865  10.810   9.902
   84   3HD2  LEU  11          3HD2      LEU  11   2.698  12.129   9.983
   85    H    ALA  12           H        ALA  12   1.964  15.196   8.870
   86    HA   ALA  12           HA       ALA  12  -0.486  16.610   8.394
   87   1HB   ALA  12          1HB       ALA  12   1.522  17.128  10.045
   88   2HB   ALA  12          2HB       ALA  12   0.532  18.424   9.371
   89   3HB   ALA  12          3HB       ALA  12   2.106  18.057   8.664
   90    H    SER  13           H        SER  13   2.035  15.504   6.542
   91    HA   SER  13           HA       SER  13   1.054  16.566   4.113
   92   1HB   SER  13          2HB       SER  13   2.244  18.589   4.846
   93   2HB   SER  13          1HB       SER  13   3.715  17.648   5.086
   94    HG   SER  13           HG       SER  13   2.953  17.152   2.639
   95    HA   PRO  14           HA       PRO  14   3.649  12.640   4.241
   96   1HB   PRO  14          2HB       PRO  14   1.696  10.954   3.384
   97   2HB   PRO  14          1HB       PRO  14   1.967  11.336   5.087
   98   1HG   PRO  14          2HG       PRO  14  -0.059  12.454   3.193
   99   2HG   PRO  14          1HG       PRO  14  -0.255  11.974   4.888
  100   1HD   PRO  14          2HD       PRO  14   0.033  14.555   4.122
  101   2HD   PRO  14          1HD       PRO  14   0.625  13.944   5.678
  102    H    LEU  15           H        LEU  15   2.434  14.692   2.039
  103    HA   LEU  15           HA       LEU  15   2.299  13.281  -0.361
  104   1HB   LEU  15          2HB       LEU  15   1.618  15.613  -0.166
  105   2HB   LEU  15          1HB       LEU  15   3.274  16.094   0.151
  106    HG   LEU  15           HG       LEU  15   3.904  15.383  -2.128
  107   1HD1  LEU  15          1HD1      LEU  15   1.040  15.184  -2.897
  108   2HD1  LEU  15          2HD1      LEU  15   1.807  13.780  -2.157
  109   3HD1  LEU  15          3HD1      LEU  15   2.466  14.463  -3.644
  110   1HD2  LEU  15          1HD2      LEU  15   1.704  17.401  -1.789
  111   2HD2  LEU  15          2HD2      LEU  15   2.535  17.162  -3.326
  112   3HD2  LEU  15          3HD2      LEU  15   3.442  17.678  -1.904
  113    H    GLU  16           H        GLU  16   5.005  14.197   1.599
  114    HA   GLU  16           HA       GLU  16   6.982  13.787  -0.452
  115   1HB   GLU  16          2HB       GLU  16   7.344  15.354   1.425
  116   2HB   GLU  16          1HB       GLU  16   7.320  13.998   2.546
  117   1HG   GLU  16          2HG       GLU  16   9.301  13.068   1.486
  118   2HG   GLU  16          1HG       GLU  16   9.316  14.401   0.330
  119    H    GLN  17           H        GLN  17   5.484  11.882   2.077
  120    HA   GLN  17           HA       GLN  17   7.371   9.737   1.968
  121   1HB   GLN  17          2HB       GLN  17   4.549   9.822   3.049
  122   2HB   GLN  17          1HB       GLN  17   5.681   8.498   3.289
  123   1HG   GLN  17          2HG       GLN  17   6.014  11.326   4.254
  124   2HG   GLN  17          1HG       GLN  17   5.616   9.917   5.241
  125   1HE2  GLN  17          1HE2      GLN  17   8.043  11.908   4.331
  126   2HE2  GLN  17          2HE2      GLN  17   9.402  10.877   4.600
  127    H    VAL  18           H        VAL  18   3.944   9.874   0.971
  128    HA   VAL  18           HA       VAL  18   3.855   7.501  -0.424
  129    HB   VAL  18           HB       VAL  18   1.838   8.786  -0.026
  130   1HG1  VAL  18          1HG1      VAL  18   3.170  10.807  -1.782
  131   2HG1  VAL  18          2HG1      VAL  18   2.383  11.025  -0.220
  132   3HG1  VAL  18          3HG1      VAL  18   1.413  10.742  -1.664
  133   1HG2  VAL  18          1HG2      VAL  18   0.874   8.726  -2.383
  134   2HG2  VAL  18          2HG2      VAL  18   1.571   7.228  -1.767
  135   3HG2  VAL  18          3HG2      VAL  18   2.480   8.219  -2.907
  136    H    ASN  19           H        ASN  19   5.023  10.653  -1.519
  137    HA   ASN  19           HA       ASN  19   5.472   9.849  -4.215
  138   1HB   ASN  19          2HB       ASN  19   6.491  12.180  -2.592
  139   2HB   ASN  19          1HB       ASN  19   6.899  11.944  -4.289
  140   1HD2  ASN  19          1HD2      ASN  19   3.849  10.743  -3.800
  141   2HD2  ASN  19          2HD2      ASN  19   2.931  12.127  -4.267
  142    H    ALA  20           H        ALA  20   7.239   9.472  -1.270
  143    HA   ALA  20           HA       ALA  20   9.864   9.290  -2.204
  144   1HB   ALA  20          1HB       ALA  20   9.077   7.329  -0.149
  145   2HB   ALA  20          2HB       ALA  20   8.708   9.013   0.221
  146   3HB   ALA  20          3HB       ALA  20  10.367   8.532  -0.135
  147    H    ALA  21           H        ALA  21   7.577   6.639  -1.598
  148    HA   ALA  21           HA       ALA  21   9.108   4.680  -2.955
  149   1HB   ALA  21          1HB       ALA  21   7.393   4.038  -1.373
  150   2HB   ALA  21          2HB       ALA  21   7.034   3.347  -2.955
  151   3HB   ALA  21          3HB       ALA  21   6.143   4.760  -2.386
  152    H    LEU  22           H        LEU  22   6.450   6.817  -3.953
  153    HA   LEU  22           HA       LEU  22   5.854   5.868  -6.446
  154   1HB   LEU  22          2HB       LEU  22   6.060   8.695  -5.444
  155   2HB   LEU  22          1HB       LEU  22   5.530   8.338  -7.075
  156    HG   LEU  22           HG       LEU  22   4.176   7.393  -4.547
  157   1HD1  LEU  22          1HD1      LEU  22   2.699   9.101  -4.732
  158   2HD1  LEU  22          2HD1      LEU  22   2.859   9.198  -6.486
  159   3HD1  LEU  22          3HD1      LEU  22   4.103   9.897  -5.447
  160   1HD2  LEU  22          1HD2      LEU  22   4.006   5.843  -6.496
  161   2HD2  LEU  22          2HD2      LEU  22   3.235   7.148  -7.398
  162   3HD2  LEU  22          3HD2      LEU  22   2.462   6.498  -5.951
  163    H    LYS  23           H        LYS  23   8.762   7.497  -5.430
  164    HA   LYS  23           HA       LYS  23   9.740   7.995  -8.078
  165   1HB   LYS  23          2HB       LYS  23  11.180   7.906  -5.417
  166   2HB   LYS  23          1HB       LYS  23  11.910   8.425  -6.931
  167   1HG   LYS  23          2HG       LYS  23  10.278  10.252  -7.076
  168   2HG   LYS  23          1HG       LYS  23   9.593   9.744  -5.532
  169   1HD   LYS  23          2HD       LYS  23  11.737  10.157  -4.438
  170   2HD   LYS  23          1HD       LYS  23  12.437  10.645  -5.982
  171   1HE   LYS  23          2HE       LYS  23  11.829  12.595  -4.664
  172   2HE   LYS  23          1HE       LYS  23  10.836  12.494  -6.119
  173   1HZ   LYS  23          1HZ       LYS  23  10.071  12.053  -3.315
  174   2HZ   LYS  23          2HZ       LYS  23   9.210  11.263  -4.538
  175   3HZ   LYS  23          3HZ       LYS  23   9.284  12.952  -4.512
  176    H    ALA  24           H        ALA  24  10.302   5.534  -5.580
  177    HA   ALA  24           HA       ALA  24  12.131   4.017  -7.186
  178   1HB   ALA  24          1HB       ALA  24  11.117   3.943  -4.496
  179   2HB   ALA  24          2HB       ALA  24  12.578   3.211  -5.162
  180   3HB   ALA  24          3HB       ALA  24  11.049   2.334  -5.219
  181    H    LEU  25           H        LEU  25   8.784   3.351  -6.099
  182    HA   LEU  25           HA       LEU  25   8.332   1.070  -7.596
  183   1HB   LEU  25          2HB       LEU  25   6.822   2.324  -5.839
  184   2HB   LEU  25          1HB       LEU  25   6.137   3.076  -7.270
  185    HG   LEU  25           HG       LEU  25   5.620   0.810  -8.155
  186   1HD1  LEU  25          1HD1      LEU  25   5.956  -0.358  -5.461
  187   2HD1  LEU  25          2HD1      LEU  25   7.421  -0.116  -6.414
  188   3HD1  LEU  25          3HD1      LEU  25   6.107  -1.104  -7.053
  189   1HD2  LEU  25          1HD2      LEU  25   4.445   1.947  -5.674
  190   2HD2  LEU  25          2HD2      LEU  25   3.908   0.347  -6.190
  191   3HD2  LEU  25          3HD2      LEU  25   3.727   1.729  -7.271
  192    H    GLY  26           H        GLY  26   7.962   4.475  -8.498
  193   1HA   GLY  26          2HA       GLY  26   6.720   4.257 -10.952
  194   2HA   GLY  26          1HA       GLY  26   7.939   5.469 -10.578
  195    H    ASP  27           H        ASP  27  10.191   4.007 -10.261
  196    HA   ASP  27           HA       ASP  27  10.473   2.469 -12.746
  197   1HB   ASP  27          2HB       ASP  27  11.341   4.754 -13.096
  198   2HB   ASP  27          1HB       ASP  27  12.436   4.539 -11.736
  199    H    ILE  28           H        ILE  28  10.684   0.515 -11.907
  200    HA   ILE  28           HA       ILE  28  12.673   0.045  -9.780
  201    HB   ILE  28           HB       ILE  28  10.558  -1.924 -10.621
  202   1HG1  ILE  28          2HG1      ILE  28  10.227   0.296  -8.588
  203   2HG1  ILE  28          1HG1      ILE  28   9.384   0.175 -10.129
  204   1HG2  ILE  28          1HG2      ILE  28  12.054  -1.463  -8.047
  205   2HG2  ILE  28          2HG2      ILE  28  12.263  -2.801  -9.175
  206   3HG2  ILE  28          3HG2      ILE  28  10.765  -2.650  -8.258
  207   1HD1  ILE  28          1HD1      ILE  28   8.648  -0.889  -7.611
  208   2HD1  ILE  28          2HD1      ILE  28   8.938  -2.234  -8.715
  209   3HD1  ILE  28          3HD1      ILE  28   7.779  -0.976  -9.144
  210    HA   PRO  29           HA       PRO  29  15.705  -2.103 -12.224
  211   1HB   PRO  29          2HB       PRO  29  14.474  -4.510 -10.916
  212   2HB   PRO  29          1HB       PRO  29  16.174  -4.165 -11.239
  213   1HG   PRO  29          2HG       PRO  29  14.976  -3.690  -8.829
  214   2HG   PRO  29          1HG       PRO  29  16.381  -2.792  -9.423
  215   1HD   PRO  29          2HD       PRO  29  13.719  -1.812  -8.953
  216   2HD   PRO  29          1HD       PRO  29  15.128  -0.911  -9.549
  217    H    GLU  30           H        GLU  30  12.614  -3.934 -12.025
  218    HA   GLU  30           HA       GLU  30  12.445  -3.887 -14.934
  219   1HB   GLU  30          2HB       GLU  30  12.545  -6.451 -13.344
  220   2HB   GLU  30          1HB       GLU  30  11.993  -6.354 -15.007
  221   1HG   GLU  30          2HG       GLU  30  14.732  -5.510 -14.102
  222   2HG   GLU  30          1HG       GLU  30  14.346  -7.116 -14.714
  223    H    SER  31           H        SER  31  10.862  -2.575 -12.996
  224    HA   SER  31           HA       SER  31   8.296  -3.989 -13.322
  225   1HB   SER  31          2HB       SER  31   8.964  -2.047 -11.105
  226   2HB   SER  31          1HB       SER  31   7.528  -3.061 -11.244
  227    HG   SER  31           HG       SER  31   9.914  -3.653 -10.168
  228    H    HIS  32           H        HIS  32   6.414  -2.263 -13.001
  229    HA   HIS  32           HA       HIS  32   6.849   0.392 -13.822
  230   1HB   HIS  32          2HB       HIS  32   7.415  -0.775 -15.973
  231   2HB   HIS  32          1HB       HIS  32   5.770  -1.394 -16.006
  232    HD1  HIS  32           1HD      HIS  32   6.142   0.083 -18.392
  233    HD2  HIS  32           2HD      HIS  32   5.419   2.125 -14.845
  234    HE1  HIS  32           1HE      HIS  32   5.320   2.360 -19.080
  235    HE2  HIS  32           2HE      HIS  32   4.931   3.593 -16.918
  236    H    ILE  33           H        ILE  33   5.268   1.308 -12.759
  237    HA   ILE  33           HA       ILE  33   3.046   0.201 -11.647
  238    HB   ILE  33           HB       ILE  33   3.262   3.007 -12.723
  239   1HG1  ILE  33          2HG1      ILE  33   4.061   1.843 -10.047
  240   2HG1  ILE  33          1HG1      ILE  33   5.176   2.321 -11.323
  241   1HG2  ILE  33          1HG2      ILE  33   1.554   1.845 -10.522
  242   2HG2  ILE  33          2HG2      ILE  33   0.986   2.458 -12.073
  243   3HG2  ILE  33          3HG2      ILE  33   1.697   3.562 -10.898
  244   1HD1  ILE  33          1HD1      ILE  33   4.908   4.530 -10.913
  245   2HD1  ILE  33          2HD1      ILE  33   4.652   3.880  -9.294
  246   3HD1  ILE  33          3HD1      ILE  33   3.269   4.336 -10.290
  247    H    LEU  34           H        LEU  34   0.816   0.081 -12.191
  248    HA   LEU  34           HA       LEU  34   0.222   0.359 -15.060
  249   1HB   LEU  34          2HB       LEU  34   0.698  -2.006 -14.256
  250   2HB   LEU  34          1HB       LEU  34  -0.792  -1.902 -13.347
  251    HG   LEU  34           HG       LEU  34  -1.023  -3.122 -15.482
  252   1HD1  LEU  34          1HD1      LEU  34  -3.137  -2.397 -15.827
  253   2HD1  LEU  34          2HD1      LEU  34  -2.660  -0.702 -15.931
  254   3HD1  LEU  34          3HD1      LEU  34  -2.805  -1.481 -14.355
  255   1HD2  LEU  34          1HD2      LEU  34   0.618  -1.291 -16.555
  256   2HD2  LEU  34          2HD2      LEU  34  -0.937  -0.635 -17.066
  257   3HD2  LEU  34          3HD2      LEU  34  -0.489  -2.282 -17.507
  258    H    THR  35           H        THR  35  -1.337  -0.147 -11.870
  259    HA   THR  35           HA       THR  35  -3.360   1.834 -12.666
  260    HB   THR  35           HB       THR  35  -4.981   0.316 -11.252
  261    HG1  THR  35           1HG      THR  35  -3.497  -1.761 -12.373
  262   1HG2  THR  35          1HG2      THR  35  -4.531  -1.009 -13.830
  263   2HG2  THR  35          2HG2      THR  35  -4.741   0.740 -13.915
  264   3HG2  THR  35          3HG2      THR  35  -5.984  -0.261 -13.166
  265    H    VAL  36           H        VAL  36  -3.541   3.415 -11.245
  266    HA   VAL  36           HA       VAL  36  -3.485   2.916  -8.416
  267    HB   VAL  36           HB       VAL  36  -1.090   3.071  -8.782
  268   1HG1  VAL  36          1HG1      VAL  36  -1.717   4.824 -10.802
  269   2HG1  VAL  36          2HG1      VAL  36  -0.097   4.495 -10.186
  270   3HG1  VAL  36          3HG1      VAL  36  -1.013   5.871  -9.571
  271   1HG2  VAL  36          1HG2      VAL  36  -1.588   5.747  -7.643
  272   2HG2  VAL  36          2HG2      VAL  36  -0.708   4.374  -6.974
  273   3HG2  VAL  36          3HG2      VAL  36  -2.468   4.412  -6.903
  274    H    SER  37           H        SER  37  -4.968   4.188  -7.528
  275    HA   SER  37           HA       SER  37  -5.166   6.948  -7.911
  276   1HB   SER  37          2HB       SER  37  -5.958   6.359 -10.170
  277   2HB   SER  37          1HB       SER  37  -7.231   5.365  -9.463
  278    HG   SER  37           HG       SER  37  -8.333   7.155  -9.554
  279    H    SER  38           H        SER  38  -7.517   7.685  -7.233
  280    HA   SER  38           HA       SER  38  -9.059   7.806  -5.590
  281   1HB   SER  38          2HB       SER  38  -8.851   4.788  -5.597
  282   2HB   SER  38          1HB       SER  38 -10.129   5.725  -4.829
  283    HG   SER  38           HG       SER  38 -11.048   5.979  -6.700
  284    H    PHE  39           H        PHE  39  -7.358   8.826  -4.336
  285    HA   PHE  39           HA       PHE  39  -6.083   7.238  -2.263
  286   1HB   PHE  39          2HB       PHE  39  -6.073  10.238  -2.728
  287   2HB   PHE  39          1HB       PHE  39  -5.129   9.403  -1.506
  288    HD1  PHE  39           1HD      PHE  39  -5.742   8.707  -5.112
  289    HD2  PHE  39           2HD      PHE  39  -2.890   9.538  -2.066
  290    HE1  PHE  39           1HE      PHE  39  -3.922   8.402  -6.739
  291    HE2  PHE  39           2HE      PHE  39  -1.065   9.241  -3.688
  292    HZ   PHE  39           HZ       PHE  39  -1.544   8.728  -5.996
  293    H    TYR  40           H        TYR  40  -6.737   7.179  -0.102
  294    HA   TYR  40           HA       TYR  40  -9.152   8.751   0.516
  295   1HB   TYR  40          2HB       TYR  40  -8.633   5.866   1.227
  296   2HB   TYR  40          1HB       TYR  40  -9.955   6.823   1.888
  297    HD1  TYR  40           1HD      TYR  40  -8.531   5.606  -1.330
  298    HD2  TYR  40           2HD      TYR  40 -11.985   6.951   0.752
  299    HE1  TYR  40           1HE      TYR  40  -9.927   5.020  -3.270
  300    HE2  TYR  40           2HE      TYR  40 -13.388   6.367  -1.179
  301    HH   TYR  40           HH       TYR  40 -13.449   5.463  -3.206
  302    H    ARG  41           H        ARG  41  -9.612   8.142   3.056
  303    HA   ARG  41           HA       ARG  41  -7.522   9.576   4.453
  304   1HB   ARG  41          2HB       ARG  41  -9.845  10.211   4.770
  305   2HB   ARG  41          1HB       ARG  41 -10.247   8.588   5.307
  306   1HG   ARG  41          2HG       ARG  41  -8.784   8.916   7.279
  307   2HG   ARG  41          1HG       ARG  41  -8.489  10.567   6.741
  308   1HD   ARG  41          2HD       ARG  41 -10.908  11.018   6.865
  309   2HD   ARG  41          1HD       ARG  41 -11.159   9.384   7.483
  310    HE   ARG  41           HE       ARG  41  -9.286  10.634   9.125
  311   1HH1  ARG  41          1HH1      ARG  41 -12.643  10.967   8.256
  312   2HH1  ARG  41          2HH1      ARG  41 -13.102  11.651   9.780
  313   1HH2  ARG  41          1HH2      ARG  41  -9.880  11.535  11.132
  314   2HH2  ARG  41          2HH2      ARG  41 -11.531  11.975  11.415
  315    H    THR  42           H        THR  42  -5.863   8.514   5.349
  316    HA   THR  42           HA       THR  42  -6.452   5.964   6.716
  317    HB   THR  42           HB       THR  42  -4.074   6.646   4.996
  318    HG1  THR  42           1HG      THR  42  -6.290   5.282   4.608
  319   1HG2  THR  42          1HG2      THR  42  -3.178   4.415   5.616
  320   2HG2  THR  42          2HG2      THR  42  -4.345   4.367   6.937
  321   3HG2  THR  42          3HG2      THR  42  -3.098   5.612   6.909
  322    HA   PRO  43           HA       PRO  43  -4.782   8.650   9.979
  323   1HB   PRO  43          2HB       PRO  43  -5.789   6.483  11.702
  324   2HB   PRO  43          1HB       PRO  43  -6.151   8.216  11.748
  325   1HG   PRO  43          2HG       PRO  43  -7.965   6.410  10.903
  326   2HG   PRO  43          1HG       PRO  43  -7.851   8.024  10.180
  327   1HD   PRO  43          2HD       PRO  43  -6.829   5.404   9.140
  328   2HD   PRO  43          1HD       PRO  43  -7.621   6.729   8.259
  329    HA   PRO  44           HA       PRO  44  -0.751   6.984  10.499
  330   1HB   PRO  44          2HB       PRO  44  -1.452   7.546  13.375
  331   2HB   PRO  44          1HB       PRO  44   0.088   7.809  12.534
  332   1HG   PRO  44          2HG       PRO  44  -1.596   9.821  12.860
  333   2HG   PRO  44          1HG       PRO  44  -0.749   9.612  11.316
  334   1HD   PRO  44          2HD       PRO  44  -3.597   9.143  11.978
  335   2HD   PRO  44          1HD       PRO  44  -2.852   9.547  10.425
  336    H    LEU  45           H        LEU  45  -3.094   5.966  12.988
  337    HA   LEU  45           HA       LEU  45  -3.601   3.963  13.917
  338   1HB   LEU  45          2HB       LEU  45  -2.317   2.941  11.392
  339   2HB   LEU  45          1HB       LEU  45  -3.120   1.907  12.557
  340    HG   LEU  45           HG       LEU  45  -4.443   4.142  11.016
  341   1HD1  LEU  45          1HD1      LEU  45  -5.538   1.597  10.450
  342   2HD1  LEU  45          2HD1      LEU  45  -3.788   1.482  10.258
  343   3HD1  LEU  45          3HD1      LEU  45  -4.697   2.695   9.358
  344   1HD2  LEU  45          1HD2      LEU  45  -6.182   3.947  12.382
  345   2HD2  LEU  45          2HD2      LEU  45  -5.194   2.918  13.421
  346   3HD2  LEU  45          3HD2      LEU  45  -6.207   2.196  12.171
  347    H    GLY  46           H        GLY  46  -2.119   4.424  15.660
  348   1HA   GLY  46          2HA       GLY  46  -0.783   2.960  17.072
  349   2HA   GLY  46          1HA       GLY  46   0.153   2.540  15.649
  350    HA   PRO  47           HA       PRO  47   3.488   5.338  16.225
  351   1HB   PRO  47          2HB       PRO  47   2.229   6.974  14.048
  352   2HB   PRO  47          1HB       PRO  47   3.930   6.562  14.291
  353   1HG   PRO  47          2HG       PRO  47   2.416   5.222  12.540
  354   2HG   PRO  47          1HG       PRO  47   3.664   4.409  13.501
  355   1HD   PRO  47          2HD       PRO  47   0.733   4.223  13.697
  356   2HD   PRO  47          1HD       PRO  47   1.976   3.110  14.301
  357    H    GLN  48           H        GLN  48   0.408   7.024  15.626
  358    HA   GLN  48           HA       GLN  48   0.970   8.755  17.937
  359   1HB   GLN  48          2HB       GLN  48   1.420   9.767  15.580
  360   2HB   GLN  48          1HB       GLN  48  -0.329   9.815  15.443
  361   1HG   GLN  48          2HG       GLN  48  -0.401  11.201  17.494
  362   2HG   GLN  48          1HG       GLN  48   1.362  11.227  17.489
  363   1HE2  GLN  48          1HE2      GLN  48   0.104  11.132  14.374
  364   2HE2  GLN  48          2HE2      GLN  48   0.235  12.812  13.998
  365    H    ASP  49           H        ASP  49  -1.439  10.293  17.591
  366    HA   ASP  49           HA       ASP  49  -3.365   8.392  18.610
  367   1HB   ASP  49          2HB       ASP  49  -3.594  11.375  18.117
  368   2HB   ASP  49          1HB       ASP  49  -4.793  10.389  18.950
  369    H    GLN  50           H        GLN  50  -2.373   8.473  15.795
  370    HA   GLN  50           HA       GLN  50  -3.081   8.127  13.693
  371   1HB   GLN  50          2HB       GLN  50  -5.826   7.626  14.800
  372   2HB   GLN  50          1HB       GLN  50  -5.098   6.973  13.342
  373   1HG   GLN  50          2HG       GLN  50  -5.004   5.174  14.754
  374   2HG   GLN  50          1HG       GLN  50  -3.408   5.886  14.978
  375   1HE2  GLN  50          1HE2      GLN  50  -2.832   5.684  17.013
  376   2HE2  GLN  50          2HE2      GLN  50  -3.833   5.975  18.390
  377    HA   PRO  51           HA       PRO  51  -5.513  12.079  13.331
  378   1HB   PRO  51          2HB       PRO  51  -3.640  13.999  13.969
  379   2HB   PRO  51          1HB       PRO  51  -4.794  13.307  15.112
  380   1HG   PRO  51          2HG       PRO  51  -1.957  13.011  15.115
  381   2HG   PRO  51          1HG       PRO  51  -3.126  12.251  16.204
  382   1HD   PRO  51          2HD       PRO  51  -1.829  11.159  13.762
  383   2HD   PRO  51          1HD       PRO  51  -2.383  10.318  15.228
  384    H    ASP  52           H        ASP  52  -4.473  10.744  11.221
  385    HA   ASP  52           HA       ASP  52  -3.685  12.891   9.465
  386   1HB   ASP  52          2HB       ASP  52  -1.877  10.494   9.836
  387   2HB   ASP  52          1HB       ASP  52  -1.762  11.624   8.492
  388    H    TYR  53           H        TYR  53  -3.187  11.518   7.149
  389    HA   TYR  53           HA       TYR  53  -4.719   9.256   6.675
  390   1HB   TYR  53          2HB       TYR  53  -6.676  10.561   5.490
  391   2HB   TYR  53          1HB       TYR  53  -6.747  10.135   7.192
  392    HD1  TYR  53           1HD      TYR  53  -8.010  11.828   8.226
  393    HD2  TYR  53           2HD      TYR  53  -4.957  12.912   5.468
  394    HE1  TYR  53           1HE      TYR  53  -8.361  14.196   8.774
  395    HE2  TYR  53           2HE      TYR  53  -5.300  15.283   6.012
  396    HH   TYR  53           HH       TYR  53  -7.701  16.285   8.431
  397    H    LEU  54           H        LEU  54  -3.541   8.563   4.946
  398    HA   LEU  54           HA       LEU  54  -4.046   9.789   2.447
  399   1HB   LEU  54          2HB       LEU  54  -2.241  11.301   3.305
  400   2HB   LEU  54          1HB       LEU  54  -1.156   9.918   3.274
  401    HG   LEU  54           HG       LEU  54  -1.909   9.721   0.784
  402   1HD1  LEU  54          1HD1      LEU  54  -2.237  12.075  -0.141
  403   2HD1  LEU  54          2HD1      LEU  54  -2.709  12.516   1.499
  404   3HD1  LEU  54          3HD1      LEU  54  -3.621  11.291   0.619
  405   1HD2  LEU  54          1HD2      LEU  54   0.070  11.576   1.996
  406   2HD2  LEU  54          2HD2      LEU  54  -0.163  11.576   0.248
  407   3HD2  LEU  54          3HD2      LEU  54   0.321  10.094   1.074
  408    H    ASN  55           H        ASN  55  -4.536   7.948   1.449
  409    HA   ASN  55           HA       ASN  55  -2.423   5.905   1.329
  410   1HB   ASN  55          2HB       ASN  55  -4.000   4.124   1.572
  411   2HB   ASN  55          1HB       ASN  55  -4.257   5.251   2.901
  412   1HD2  ASN  55          1HD2      ASN  55  -6.250   5.961   3.240
  413   2HD2  ASN  55          2HD2      ASN  55  -7.569   5.804   2.145
  414    H    ALA  56           H        ALA  56  -2.590   4.479  -0.536
  415    HA   ALA  56           HA       ALA  56  -4.252   5.407  -2.732
  416   1HB   ALA  56          1HB       ALA  56  -2.137   5.458  -4.205
  417   2HB   ALA  56          2HB       ALA  56  -1.270   5.669  -2.682
  418   3HB   ALA  56          3HB       ALA  56  -2.487   6.846  -3.176
  419    H    ALA  57           H        ALA  57  -4.785   3.841  -4.116
  420    HA   ALA  57           HA       ALA  57  -3.847   1.140  -3.559
  421   1HB   ALA  57          1HB       ALA  57  -6.145   2.305  -5.077
  422   2HB   ALA  57          2HB       ALA  57  -6.153   1.137  -3.755
  423   3HB   ALA  57          3HB       ALA  57  -5.646   0.639  -5.369
  424    H    VAL  58           H        VAL  58  -2.281   0.213  -4.714
  425    HA   VAL  58           HA       VAL  58  -1.806   1.215  -7.431
  426    HB   VAL  58           HB       VAL  58   0.363   0.368  -5.515
  427   1HG1  VAL  58          1HG1      VAL  58   1.763   0.507  -7.233
  428   2HG1  VAL  58          2HG1      VAL  58   1.136   2.088  -7.700
  429   3HG1  VAL  58          3HG1      VAL  58   0.353   0.620  -8.285
  430   1HG2  VAL  58          1HG2      VAL  58   0.510   2.426  -4.674
  431   2HG2  VAL  58          2HG2      VAL  58  -1.099   2.700  -5.343
  432   3HG2  VAL  58          3HG2      VAL  58   0.330   3.175  -6.260
  433    H    ALA  59           H        ALA  59  -1.413  -0.229  -8.937
  434    HA   ALA  59           HA       ALA  59  -0.872  -3.006  -8.216
  435   1HB   ALA  59          1HB       ALA  59  -3.378  -2.193  -9.095
  436   2HB   ALA  59          2HB       ALA  59  -2.743  -3.839  -9.139
  437   3HB   ALA  59          3HB       ALA  59  -2.595  -2.797 -10.554
  438    H    LEU  60           H        LEU  60   1.218  -2.626  -8.797
  439    HA   LEU  60           HA       LEU  60   1.773  -1.606 -11.465
  440   1HB   LEU  60          2HB       LEU  60   3.133  -0.592  -9.877
  441   2HB   LEU  60          1HB       LEU  60   3.423  -2.092  -9.023
  442    HG   LEU  60           HG       LEU  60   4.485  -1.834 -11.800
  443   1HD1  LEU  60          1HD1      LEU  60   5.010   0.156  -9.953
  444   2HD1  LEU  60          2HD1      LEU  60   6.025  -0.271 -11.330
  445   3HD1  LEU  60          3HD1      LEU  60   6.357  -0.961  -9.742
  446   1HD2  LEU  60          1HD2      LEU  60   4.734  -3.594  -9.564
  447   2HD2  LEU  60          2HD2      LEU  60   6.313  -2.902  -9.940
  448   3HD2  LEU  60          3HD2      LEU  60   5.405  -3.756 -11.187
  449    H    GLU  61           H        GLU  61   3.106  -2.629 -12.949
  450    HA   GLU  61           HA       GLU  61   2.864  -5.537 -12.895
  451   1HB   GLU  61          2HB       GLU  61   2.000  -4.200 -14.838
  452   2HB   GLU  61          1HB       GLU  61   3.664  -3.754 -15.197
  453   1HG   GLU  61          2HG       GLU  61   4.239  -6.059 -15.568
  454   2HG   GLU  61          1HG       GLU  61   2.627  -6.557 -15.086
  455    H    THR  62           H        THR  62   4.587  -6.128 -11.584
  456    HA   THR  62           HA       THR  62   7.259  -5.325 -12.456
  457    HB   THR  62           HB       THR  62   6.883  -4.857 -10.130
  458    HG1  THR  62           1HG      THR  62   8.384  -6.391  -9.160
  459   1HG2  THR  62          1HG2      THR  62   6.530  -7.548  -9.135
  460   2HG2  THR  62          2HG2      THR  62   5.166  -7.001 -10.112
  461   3HG2  THR  62          3HG2      THR  62   5.683  -6.059  -8.713
  462    H    SER  63           H        SER  63   8.872  -7.107 -11.814
  463    HA   SER  63           HA       SER  63   7.987  -9.791 -12.577
  464   1HB   SER  63          2HB       SER  63  10.282  -8.299 -13.899
  465   2HB   SER  63          1HB       SER  63   9.923 -10.011 -14.131
  466    HG   SER  63           HG       SER  63   8.436  -9.478 -15.507
  467    H    LEU  64           H        LEU  64   9.152  -7.799 -10.546
  468    HA   LEU  64           HA       LEU  64  11.356  -9.389  -9.459
  469   1HB   LEU  64          2HB       LEU  64  10.547  -6.657  -8.534
  470   2HB   LEU  64          1HB       LEU  64  12.129  -7.406  -8.493
  471    HG   LEU  64           HG       LEU  64  10.724  -6.392 -10.964
  472   1HD1  LEU  64          1HD1      LEU  64  11.918  -4.892  -9.037
  473   2HD1  LEU  64          2HD1      LEU  64  11.816  -4.444 -10.740
  474   3HD1  LEU  64          3HD1      LEU  64  13.276  -5.211 -10.116
  475   1HD2  LEU  64          1HD2      LEU  64  12.079  -7.895 -11.956
  476   2HD2  LEU  64          2HD2      LEU  64  13.108  -8.067 -10.534
  477   3HD2  LEU  64          3HD2      LEU  64  13.338  -6.705 -11.630
  478    H    ALA  65           H        ALA  65  10.482 -10.854  -8.044
  479    HA   ALA  65           HA       ALA  65   8.080 -10.856  -6.796
  480   1HB   ALA  65          1HB       ALA  65   9.628 -11.853  -4.783
  481   2HB   ALA  65          2HB       ALA  65  10.700 -12.023  -6.174
  482   3HB   ALA  65          3HB       ALA  65   9.102 -12.767  -6.196
  483    HA   PRO  66           HA       PRO  66   7.567  -7.057  -4.530
  484   1HB   PRO  66          2HB       PRO  66   6.460  -9.141  -2.665
  485   2HB   PRO  66          1HB       PRO  66   5.852  -7.510  -2.998
  486   1HG   PRO  66          2HG       PRO  66   4.785  -9.581  -4.241
  487   2HG   PRO  66          1HG       PRO  66   5.112  -8.072  -5.105
  488   1HD   PRO  66          2HD       PRO  66   6.484 -10.686  -5.313
  489   2HD   PRO  66          1HD       PRO  66   6.375  -9.375  -6.502
  490    H    GLU  67           H        GLU  67   9.296  -9.808  -3.295
  491    HA   GLU  67           HA       GLU  67  10.051  -8.823  -0.798
  492   1HB   GLU  67          2HB       GLU  67  11.745 -10.524  -2.639
  493   2HB   GLU  67          1HB       GLU  67  11.819 -10.461  -0.882
  494   1HG   GLU  67          2HG       GLU  67   9.647 -11.483  -0.705
  495   2HG   GLU  67          1HG       GLU  67   9.448 -11.440  -2.459
  496    H    GLU  68           H        GLU  68  11.462  -8.530  -3.998
  497    HA   GLU  68           HA       GLU  68  13.638  -6.851  -3.205
  498   1HB   GLU  68          2HB       GLU  68  12.477  -7.412  -5.938
  499   2HB   GLU  68          1HB       GLU  68  14.019  -6.645  -5.618
  500   1HG   GLU  68          2HG       GLU  68  13.296  -9.446  -4.822
  501   2HG   GLU  68          1HG       GLU  68  14.223  -9.006  -6.256
  502    H    LEU  69           H        LEU  69  10.754  -6.305  -5.232
  503    HA   LEU  69           HA       LEU  69  11.010  -3.565  -5.509
  504   1HB   LEU  69          2HB       LEU  69   9.416  -4.286  -6.917
  505   2HB   LEU  69          1HB       LEU  69   8.848  -5.533  -5.837
  506    HG   LEU  69           HG       LEU  69   8.163  -2.641  -5.336
  507   1HD1  LEU  69          1HD1      LEU  69   7.588  -3.462  -7.711
  508   2HD1  LEU  69          2HD1      LEU  69   6.307  -2.732  -6.741
  509   3HD1  LEU  69          3HD1      LEU  69   6.397  -4.486  -6.908
  510   1HD2  LEU  69          1HD2      LEU  69   7.413  -3.766  -3.507
  511   2HD2  LEU  69          2HD2      LEU  69   7.273  -5.298  -4.369
  512   3HD2  LEU  69          3HD2      LEU  69   6.034  -4.061  -4.566
  513    H    LEU  70           H        LEU  70   9.939  -5.411  -2.785
  514    HA   LEU  70           HA       LEU  70   8.613  -3.321  -1.377
  515   1HB   LEU  70          2HB       LEU  70   8.318  -5.690  -0.804
  516   2HB   LEU  70          1HB       LEU  70  10.007  -5.802  -0.352
  517    HG   LEU  70           HG       LEU  70   9.516  -4.090   1.447
  518   1HD1  LEU  70          1HD1      LEU  70   6.652  -4.864   1.087
  519   2HD1  LEU  70          2HD1      LEU  70   7.316  -3.461   0.251
  520   3HD1  LEU  70          3HD1      LEU  70   7.342  -3.531   2.013
  521   1HD2  LEU  70          1HD2      LEU  70   9.759  -6.508   1.866
  522   2HD2  LEU  70          2HD2      LEU  70   8.025  -6.705   1.611
  523   3HD2  LEU  70          3HD2      LEU  70   8.613  -5.740   2.965
  524    H    ASN  71           H        ASN  71  11.884  -4.628  -1.425
  525    HA   ASN  71           HA       ASN  71  12.954  -2.915   0.551
  526   1HB   ASN  71          2HB       ASN  71  14.209  -4.541  -1.646
  527   2HB   ASN  71          1HB       ASN  71  15.177  -3.531  -0.575
  528   1HD2  ASN  71          1HD2      ASN  71  14.014  -6.568  -1.040
  529   2HD2  ASN  71          2HD2      ASN  71  14.111  -7.163   0.576
  530    H    HIS  72           H        HIS  72  12.619  -2.547  -2.969
  531    HA   HIS  72           HA       HIS  72  14.268  -0.273  -3.221
  532   1HB   HIS  72          2HB       HIS  72  11.911  -1.188  -4.877
  533   2HB   HIS  72          1HB       HIS  72  12.985   0.132  -5.334
  534    HD1  HIS  72           1HD      HIS  72  15.695  -0.812  -5.201
  535    HD2  HIS  72           2HD      HIS  72  12.628  -3.459  -6.125
  536    HE1  HIS  72           1HE      HIS  72  16.804  -2.747  -6.365
  537    HE2  HIS  72           2HE      HIS  72  14.923  -4.318  -6.952
  538    H    THR  73           H        THR  73  10.706  -0.479  -3.081
  539    HA   THR  73           HA       THR  73  10.202   2.248  -2.984
  540    HB   THR  73           HB       THR  73   8.033   1.647  -2.007
  541    HG1  THR  73           1HG      THR  73   7.713  -0.640  -1.581
  542   1HG2  THR  73          1HG2      THR  73   7.521   1.096  -4.088
  543   2HG2  THR  73          2HG2      THR  73   7.855  -0.578  -3.646
  544   3HG2  THR  73          3HG2      THR  73   9.121   0.413  -4.373
  545    H    GLN  74           H        GLN  74  10.604  -0.007  -0.262
  546    HA   GLN  74           HA       GLN  74  10.357   2.001   1.713
  547   1HB   GLN  74          2HB       GLN  74  11.498  -0.786   1.875
  548   2HB   GLN  74          1HB       GLN  74  11.272   0.268   3.263
  549   1HG   GLN  74          2HG       GLN  74   8.821   0.381   2.528
  550   2HG   GLN  74          1HG       GLN  74   9.203  -1.021   1.531
  551   1HE2  GLN  74          1HE2      GLN  74   8.817  -2.895   2.438
  552   2HE2  GLN  74          2HE2      GLN  74   8.811  -3.238   4.130
  553    H    ARG  75           H        ARG  75  13.062   0.870  -0.194
  554    HA   ARG  75           HA       ARG  75  15.148   1.637   1.530
  555   1HB   ARG  75          2HB       ARG  75  16.589   1.418  -0.256
  556   2HB   ARG  75          1HB       ARG  75  15.228   0.489  -0.858
  557   1HG   ARG  75          2HG       ARG  75  14.473   2.537  -2.077
  558   2HG   ARG  75          1HG       ARG  75  15.982   3.307  -1.589
  559   1HD   ARG  75          2HD       ARG  75  17.249   1.554  -2.728
  560   2HD   ARG  75          1HD       ARG  75  15.744   0.773  -3.208
  561    HE   ARG  75           HE       ARG  75  15.710   3.425  -4.115
  562   1HH1  ARG  75          1HH1      ARG  75  17.374   0.420  -4.711
  563   2HH1  ARG  75          2HH1      ARG  75  17.703   0.784  -6.373
  564   1HH2  ARG  75          1HH2      ARG  75  16.137   3.910  -6.302
  565   2HH2  ARG  75          2HH2      ARG  75  17.000   2.768  -7.277
  566    H    ILE  76           H        ILE  76  13.005   3.354  -0.550
  567    HA   ILE  76           HA       ILE  76  14.271   5.881  -0.455
  568    HB   ILE  76           HB       ILE  76  11.314   5.415  -0.778
  569   1HG1  ILE  76          2HG1      ILE  76  12.553   3.882  -2.276
  570   2HG1  ILE  76          1HG1      ILE  76  11.713   5.139  -3.181
  571   1HG2  ILE  76          1HG2      ILE  76  11.797   7.713  -0.586
  572   2HG2  ILE  76          2HG2      ILE  76  11.622   7.414  -2.316
  573   3HG2  ILE  76          3HG2      ILE  76  13.229   7.577  -1.609
  574   1HD1  ILE  76          1HD1      ILE  76  13.963   4.683  -4.042
  575   2HD1  ILE  76          2HD1      ILE  76  14.642   5.174  -2.489
  576   3HD1  ILE  76          3HD1      ILE  76  13.783   6.346  -3.486
  577    H    GLU  77           H        GLU  77  11.288   4.741   1.200
  578    HA   GLU  77           HA       GLU  77  11.108   6.893   2.947
  579   1HB   GLU  77          2HB       GLU  77   9.680   5.519   4.366
  580   2HB   GLU  77          1HB       GLU  77   9.255   5.356   2.675
  581   1HG   GLU  77          2HG       GLU  77   9.087   3.215   3.609
  582   2HG   GLU  77          1HG       GLU  77  10.578   3.207   2.672
  583    H    LEU  78           H        LEU  78  13.333   4.280   2.977
  584    HA   LEU  78           HA       LEU  78  14.001   4.245   5.721
  585   1HB   LEU  78          2HB       LEU  78  15.572   3.559   3.242
  586   2HB   LEU  78          1HB       LEU  78  16.267   3.429   4.845
  587    HG   LEU  78           HG       LEU  78  13.842   1.912   3.876
  588   1HD1  LEU  78          1HD1      LEU  78  15.596  -0.001   4.313
  589   2HD1  LEU  78          2HD1      LEU  78  16.748   1.289   3.961
  590   3HD1  LEU  78          3HD1      LEU  78  15.529   0.844   2.765
  591   1HD2  LEU  78          1HD2      LEU  78  15.387   1.802   6.461
  592   2HD2  LEU  78          2HD2      LEU  78  14.191   0.607   5.962
  593   3HD2  LEU  78          3HD2      LEU  78  13.702   2.277   6.246
  594    H    GLN  79           H        GLN  79  15.200   6.124   2.975
  595    HA   GLN  79           HA       GLN  79  16.524   7.931   4.902
  596   1HB   GLN  79          2HB       GLN  79  18.146   8.466   3.108
  597   2HB   GLN  79          1HB       GLN  79  18.205   6.779   3.600
  598   1HG   GLN  79          2HG       GLN  79  16.853   6.179   1.638
  599   2HG   GLN  79          1HG       GLN  79  16.866   7.871   1.137
  600   1HE2  GLN  79          1HE2      GLN  79  18.269   4.969   0.632
  601   2HE2  GLN  79          2HE2      GLN  79  19.799   5.477   0.011
  602    H    GLN  80           H        GLN  80  13.786   7.864   3.499
  603    HA   GLN  80           HA       GLN  80  13.923  10.624   2.479
  604   1HB   GLN  80          2HB       GLN  80  13.451   9.010   0.648
  605   2HB   GLN  80          1HB       GLN  80  12.025   8.466   1.519
  606   1HG   GLN  80          2HG       GLN  80  11.378   9.983  -0.219
  607   2HG   GLN  80          1HG       GLN  80  11.082  10.731   1.349
  608   1HE2  GLN  80          1HE2      GLN  80  12.206  11.291  -1.663
  609   2HE2  GLN  80          2HE2      GLN  80  13.242  12.639  -1.354
  610    H    GLY  81           H        GLY  81  12.512   8.386   4.647
  611   1HA   GLY  81          2HA       GLY  81  11.008  10.506   5.901
  612   2HA   GLY  81          1HA       GLY  81  10.017   9.229   5.216
  613    H    ARG  82           H        ARG  82  13.175   8.770   6.756
  614    HA   ARG  82           HA       ARG  82  12.065   7.977   9.271
  615   1HB   ARG  82          2HB       ARG  82  11.463   6.024   7.849
  616   2HB   ARG  82          1HB       ARG  82  13.173   5.773   7.526
  617   1HG   ARG  82          2HG       ARG  82  13.485   5.570  10.027
  618   2HG   ARG  82          1HG       ARG  82  11.726   5.503  10.143
  619   1HD   ARG  82          2HD       ARG  82  12.561   3.260  10.118
  620   2HD   ARG  82          1HD       ARG  82  11.763   3.568   8.576
  621    HE   ARG  82           HE       ARG  82  13.744   3.097   7.572
  622   1HH1  ARG  82          1HH1      ARG  82  14.425   4.254  10.791
  623   2HH1  ARG  82          2HH1      ARG  82  16.139   4.063  10.635
  624   1HH2  ARG  82          1HH2      ARG  82  16.003   2.842   7.365
  625   2HH2  ARG  82          2HH2      ARG  82  17.035   3.261   8.690
  626    H    VAL  83           H        VAL  83  13.538   8.496  10.716
  627    HA   VAL  83           HA       VAL  83  15.545   9.198  11.589
  628    HB   VAL  83           HB       VAL  83  16.394   6.521  10.501
  629   1HG1  VAL  83          1HG1      VAL  83  18.355   7.052  11.419
  630   2HG1  VAL  83          2HG1      VAL  83  17.552   6.916  12.983
  631   3HG1  VAL  83          3HG1      VAL  83  17.686   8.488  12.195
  632   1HG2  VAL  83          1HG2      VAL  83  15.332   6.949  13.261
  633   2HG2  VAL  83          2HG2      VAL  83  15.402   5.470  12.305
  634   3HG2  VAL  83          3HG2      VAL  83  14.219   6.717  11.915
  635    H    ARG  84           H        ARG  84  16.009  10.927  10.144
  636    HA   ARG  84           HA       ARG  84  18.475  10.521   8.695
  637   1HB   ARG  84          2HB       ARG  84  17.386  11.879   6.727
  638   2HB   ARG  84          1HB       ARG  84  17.235  10.128   6.802
  639   1HG   ARG  84          2HG       ARG  84  15.016  10.226   7.497
  640   2HG   ARG  84          1HG       ARG  84  15.146  11.914   7.985
  641   1HD   ARG  84          2HD       ARG  84  15.251  10.861   5.160
  642   2HD   ARG  84          1HD       ARG  84  13.883  11.687   5.906
  643    HE   ARG  84           HE       ARG  84  16.107  13.355   6.118
  644   1HH1  ARG  84          1HH1      ARG  84  14.076  12.000   3.634
  645   2HH1  ARG  84          2HH1      ARG  84  14.301  13.329   2.546
  646   1HH2  ARG  84          1HH2      ARG  84  16.409  15.108   4.692
  647   2HH2  ARG  84          2HH2      ARG  84  15.626  15.095   3.147
  648    H    LYS  85           H        LYS  85  15.945  13.044   8.725
  649    HA   LYS  85           HA       LYS  85  17.455  14.776  10.416
  650   1HB   LYS  85          2HB       LYS  85  18.781  15.044   8.381
  651   2HB   LYS  85          1HB       LYS  85  17.332  15.448   7.470
  652   1HG   LYS  85          2HG       LYS  85  17.041  17.457   8.847
  653   2HG   LYS  85          1HG       LYS  85  18.520  17.056   9.723
  654   1HD   LYS  85          2HD       LYS  85  19.802  17.231   7.652
  655   2HD   LYS  85          1HD       LYS  85  18.323  17.600   6.760
  656   1HE   LYS  85          2HE       LYS  85  18.025  19.631   8.078
  657   2HE   LYS  85          1HE       LYS  85  19.481  19.258   8.998
  658   1HZ   LYS  85          1HZ       LYS  85  20.693  19.328   6.823
  659   2HZ   LYS  85          2HZ       LYS  85  20.087  20.816   7.353
  660   3HZ   LYS  85          3HZ       LYS  85  19.289  19.968   6.128
  661    H    ALA  86           H        ALA  86  14.860  14.327   8.099
  662    HA   ALA  86           HA       ALA  86  13.364  16.555   9.262
  663   1HB   ALA  86          1HB       ALA  86  12.063  16.589   7.364
  664   2HB   ALA  86          2HB       ALA  86  12.309  14.872   7.035
  665   3HB   ALA  86          3HB       ALA  86  13.604  16.026   6.716
  666    H    GLU  87           H        GLU  87  12.688  13.156   8.362
  667    HA   GLU  87           HA       GLU  87  10.404  13.043  10.083
  668   1HB   GLU  87          2HB       GLU  87  11.876  11.014   8.429
  669   2HB   GLU  87          1HB       GLU  87  10.598  10.525   9.533
  670   1HG   GLU  87          2HG       GLU  87   9.777  10.781   7.254
  671   2HG   GLU  87          1HG       GLU  87   9.006  11.921   8.354
  672    H    ARG  88           H        ARG  88  10.205  11.195  11.695
  673    HA   ARG  88           HA       ARG  88  12.686  10.828  13.217
  674   1HB   ARG  88          2HB       ARG  88  11.491  12.710  14.220
  675   2HB   ARG  88          1HB       ARG  88  10.041  11.730  14.368
  676   1HG   ARG  88          2HG       ARG  88  11.115  11.892  16.506
  677   2HG   ARG  88          1HG       ARG  88  11.248  10.235  15.916
  678   1HD   ARG  88          2HD       ARG  88  13.421  12.306  15.632
  679   2HD   ARG  88          1HD       ARG  88  13.330  11.155  16.963
  680    HE   ARG  88           HE       ARG  88  13.223   9.728  14.562
  681   1HH1  ARG  88          1HH1      ARG  88  15.466  11.675  16.387
  682   2HH1  ARG  88          2HH1      ARG  88  16.867  10.868  15.767
  683   1HH2  ARG  88          1HH2      ARG  88  15.057   8.662  13.744
  684   2HH2  ARG  88          2HH2      ARG  88  16.634   9.154  14.262
  685    H    TRP  89           H        TRP  89   9.487   9.989  14.395
  686    HA   TRP  89           HA       TRP  89   9.646   7.270  13.469
  687   1HB   TRP  89          2HB       TRP  89   9.668   6.298  15.783
  688   2HB   TRP  89          1HB       TRP  89  11.185   7.034  15.283
  689    HD1  TRP  89           HD       TRP  89   8.075   8.683  16.950
  690    HE1  TRP  89           1HE      TRP  89   8.884   9.927  19.053
  691    HE3  TRP  89           3HE      TRP  89  13.025   7.409  16.799
  692    HZ2  TRP  89           2HZ      TRP  89  11.296  10.316  20.463
  693    HZ3  TRP  89           3HZ      TRP  89  14.516   8.259  18.562
  694    HH2  TRP  89           HH       TRP  89  13.667   9.683  20.356
  695    H    GLY  90           H        GLY  90   7.875   9.862  14.146
  696   1HA   GLY  90          2HA       GLY  90   5.632   8.748  15.528
  697   2HA   GLY  90          1HA       GLY  90   5.659  10.269  14.649
  698    HA   PRO  91           HA       PRO  91   2.776   7.628  12.238
  699   1HB   PRO  91          2HB       PRO  91   1.648   9.778  10.940
  700   2HB   PRO  91          1HB       PRO  91   1.068   9.130  12.484
  701   1HG   PRO  91          2HG       PRO  91   2.837  11.486  11.944
  702   2HG   PRO  91          1HG       PRO  91   1.535  11.306  13.135
  703   1HD   PRO  91          2HD       PRO  91   4.131  11.140  13.827
  704   2HD   PRO  91          1HD       PRO  91   2.883  10.159  14.623
  705    H    ARG  92           H        ARG  92   5.431   9.503  11.509
  706    HA   ARG  92           HA       ARG  92   5.320   9.692   8.692
  707   1HB   ARG  92          2HB       ARG  92   7.769   9.492  10.457
  708   2HB   ARG  92          1HB       ARG  92   7.698  10.166   8.833
  709   1HG   ARG  92          2HG       ARG  92   6.319  11.987   9.597
  710   2HG   ARG  92          1HG       ARG  92   6.226  11.281  11.211
  711   1HD   ARG  92          2HD       ARG  92   8.618  11.581  11.502
  712   2HD   ARG  92          1HD       ARG  92   8.756  12.217   9.864
  713    HE   ARG  92           HE       ARG  92   8.160  14.244  10.698
  714   1HH1  ARG  92          1HH1      ARG  92   6.888  11.796  12.831
  715   2HH1  ARG  92          2HH1      ARG  92   6.198  12.938  13.935
  716   1HH2  ARG  92          1HH2      ARG  92   7.255  15.749  12.144
  717   2HH2  ARG  92          2HH2      ARG  92   6.405  15.185  13.545
  718    H    THR  93           H        THR  93   7.612   8.561   7.701
  719    HA   THR  93           HA       THR  93   8.597   6.669   6.957
  720    HB   THR  93           HB       THR  93   7.137   5.316   9.232
  721    HG1  THR  93           1HG      THR  93   9.157   6.924   9.300
  722   1HG2  THR  93          1HG2      THR  93   7.762   3.368   8.400
  723   2HG2  THR  93          2HG2      THR  93   9.440   3.881   8.563
  724   3HG2  THR  93          3HG2      THR  93   8.576   4.156   7.050
  725    H    LEU  94           H        LEU  94   7.962   6.157   5.058
  726    HA   LEU  94           HA       LEU  94   5.239   5.645   4.350
  727   1HB   LEU  94          2HB       LEU  94   6.924   6.795   2.918
  728   2HB   LEU  94          1HB       LEU  94   7.779   5.276   2.766
  729    HG   LEU  94           HG       LEU  94   5.778   4.311   1.666
  730   1HD1  LEU  94          1HD1      LEU  94   4.358   6.367   0.679
  731   2HD1  LEU  94          2HD1      LEU  94   4.719   6.984   2.291
  732   3HD1  LEU  94          3HD1      LEU  94   3.880   5.444   2.103
  733   1HD2  LEU  94          1HD2      LEU  94   6.125   6.268  -0.263
  734   2HD2  LEU  94          2HD2      LEU  94   7.048   4.776  -0.078
  735   3HD2  LEU  94          3HD2      LEU  94   7.626   6.267   0.664
  736    H    ASP  95           H        ASP  95   4.335   3.649   3.634
  737    HA   ASP  95           HA       ASP  95   5.991   1.258   3.906
  738   1HB   ASP  95          2HB       ASP  95   3.446   1.671   5.483
  739   2HB   ASP  95          1HB       ASP  95   4.339   0.156   5.379
  740    H    LEU  96           H        LEU  96   5.717   0.208   2.052
  741    HA   LEU  96           HA       LEU  96   2.999  -0.354   1.163
  742   1HB   LEU  96          2HB       LEU  96   3.759  -0.010  -1.232
  743   2HB   LEU  96          1HB       LEU  96   3.402   1.421  -0.281
  744    HG   LEU  96           HG       LEU  96   6.223   0.421  -0.587
  745   1HD1  LEU  96          1HD1      LEU  96   4.920   2.466  -2.369
  746   2HD1  LEU  96          2HD1      LEU  96   5.025   0.762  -2.809
  747   3HD1  LEU  96          3HD1      LEU  96   6.496   1.697  -2.549
  748   1HD2  LEU  96          1HD2      LEU  96   5.525   3.280  -0.425
  749   2HD2  LEU  96          2HD2      LEU  96   6.830   2.380   0.349
  750   3HD2  LEU  96          3HD2      LEU  96   5.201   2.326   1.023
  751    H    ASP  97           H        ASP  97   2.692  -2.360   0.448
  752    HA   ASP  97           HA       ASP  97   4.934  -3.983  -0.488
  753   1HB   ASP  97          2HB       ASP  97   4.420  -5.817   1.082
  754   2HB   ASP  97          1HB       ASP  97   4.958  -4.371   1.931
  755    H    ILE  98           H        ILE  98   4.345  -5.437  -1.988
  756    HA   ILE  98           HA       ILE  98   1.746  -5.269  -3.097
  757    HB   ILE  98           HB       ILE  98   3.875  -7.331  -3.645
  758   1HG1  ILE  98          2HG1      ILE  98   3.249  -4.712  -5.005
  759   2HG1  ILE  98          1HG1      ILE  98   4.678  -5.057  -4.040
  760   1HG2  ILE  98          1HG2      ILE  98   2.710  -7.740  -5.715
  761   2HG2  ILE  98          2HG2      ILE  98   1.516  -6.504  -5.318
  762   3HG2  ILE  98          3HG2      ILE  98   1.609  -7.981  -4.358
  763   1HD1  ILE  98          1HD1      ILE  98   4.209  -6.860  -6.314
  764   2HD1  ILE  98          2HD1      ILE  98   5.704  -6.140  -5.719
  765   3HD1  ILE  98          3HD1      ILE  98   4.604  -5.190  -6.719
  766    H    MET  99           H        MET  99  -0.016  -6.242  -2.496
  767    HA   MET  99           HA       MET  99   0.064  -8.397  -0.560
  768   1HB   MET  99          2HB       MET  99  -2.294  -6.921  -1.740
  769   2HB   MET  99          1HB       MET  99  -2.323  -7.977  -0.333
  770   1HG   MET  99          2HG       MET  99  -0.969  -6.442   0.918
  771   2HG   MET  99          1HG       MET  99  -0.735  -5.429  -0.505
  772   1HE   MET  99          1HE       MET  99  -2.646  -4.805  -1.905
  773   2HE   MET  99          2HE       MET  99  -3.486  -3.456  -1.141
  774   3HE   MET  99          3HE       MET  99  -4.343  -4.966  -1.450
  775    H    LEU 100           H        LEU 100  -0.554  -7.919  -3.931
  776    HA   LEU 100           HA       LEU 100  -1.358 -10.749  -4.182
  777   1HB   LEU 100          2HB       LEU 100  -2.303  -8.407  -5.835
  778   2HB   LEU 100          1HB       LEU 100  -2.658 -10.082  -6.194
  779    HG   LEU 100           HG       LEU 100  -4.581  -9.100  -5.185
  780   1HD1  LEU 100          1HD1      LEU 100  -3.642 -10.545  -2.810
  781   2HD1  LEU 100          2HD1      LEU 100  -3.468 -11.402  -4.340
  782   3HD1  LEU 100          3HD1      LEU 100  -5.053 -10.820  -3.831
  783   1HD2  LEU 100          1HD2      LEU 100  -3.225  -7.282  -4.026
  784   2HD2  LEU 100          2HD2      LEU 100  -3.018  -8.442  -2.715
  785   3HD2  LEU 100          3HD2      LEU 100  -4.636  -7.911  -3.175
  786    H    PHE 101           H        PHE 101  -0.163 -11.990  -5.551
  787    HA   PHE 101           HA       PHE 101   1.708 -10.566  -7.349
  788   1HB   PHE 101          2HB       PHE 101   2.802 -11.962  -5.595
  789   2HB   PHE 101          1HB       PHE 101   1.976 -13.375  -6.242
  790    HD1  PHE 101           1HD      PHE 101   3.461 -14.759  -7.312
  791    HD2  PHE 101           2HD      PHE 101   3.847 -10.549  -7.807
  792    HE1  PHE 101           1HE      PHE 101   5.315 -15.119  -8.889
  793    HE2  PHE 101           2HE      PHE 101   5.701 -10.902  -9.386
  794    HZ   PHE 101           HZ       PHE 101   6.438 -13.191  -9.927
  795    H    GLY 102           H        GLY 102  -0.131 -10.400  -8.812
  796   1HA   GLY 102          2HA       GLY 102  -0.952 -11.068 -10.888
  797   2HA   GLY 102          1HA       GLY 102  -0.271 -12.670 -10.613
  798    H    ASN 103           H        ASN 103  -1.331 -13.012  -8.050
  799    HA   ASN 103           HA       ASN 103  -3.442 -13.075  -6.884
  800   1HB   ASN 103          2HB       ASN 103  -5.497 -13.412  -7.917
  801   2HB   ASN 103          1HB       ASN 103  -4.673 -12.377  -9.086
  802   1HD2  ASN 103          1HD2      ASN 103  -6.634 -14.872  -8.901
  803   2HD2  ASN 103          2HD2      ASN 103  -6.170 -15.782 -10.290
  804    H    GLU 104           H        GLU 104  -1.183 -14.695  -8.166
  805    HA   GLU 104           HA       GLU 104  -2.079 -17.396  -8.244
  806   1HB   GLU 104          2HB       GLU 104  -0.061 -16.440  -9.407
  807   2HB   GLU 104          1HB       GLU 104   0.709 -16.294  -7.836
  808   1HG   GLU 104          2HG       GLU 104   1.475 -18.263  -9.010
  809   2HG   GLU 104          1HG       GLU 104   0.606 -18.698  -7.540
  810    H    VAL 105           H        VAL 105  -0.666 -18.950  -6.655
  811    HA   VAL 105           HA       VAL 105  -1.232 -17.910  -3.961
  812    HB   VAL 105           HB       VAL 105  -1.031 -20.816  -4.803
  813   1HG1  VAL 105          1HG1      VAL 105  -0.448 -20.522  -2.487
  814   2HG1  VAL 105          2HG1      VAL 105  -2.055 -21.243  -2.587
  815   3HG1  VAL 105          3HG1      VAL 105  -1.879 -19.528  -2.212
  816   1HG2  VAL 105          1HG2      VAL 105  -3.574 -20.640  -4.188
  817   2HG2  VAL 105          2HG2      VAL 105  -3.007 -20.203  -5.798
  818   3HG2  VAL 105          3HG2      VAL 105  -3.342 -18.944  -4.610
  819    H    ILE 106           H        ILE 106   0.735 -16.902  -3.713
  820    HA   ILE 106           HA       ILE 106   2.989 -18.709  -3.205
  821    HB   ILE 106           HB       ILE 106   3.575 -17.872  -5.301
  822   1HG1  ILE 106          2HG1      ILE 106   4.819 -16.067  -3.220
  823   2HG1  ILE 106          1HG1      ILE 106   5.459 -17.587  -3.842
  824   1HG2  ILE 106          1HG2      ILE 106   3.244 -15.647  -6.082
  825   2HG2  ILE 106          2HG2      ILE 106   2.778 -15.093  -4.473
  826   3HG2  ILE 106          3HG2      ILE 106   1.734 -16.205  -5.361
  827   1HD1  ILE 106          1HD1      ILE 106   6.288 -15.204  -4.692
  828   2HD1  ILE 106          2HD1      ILE 106   4.952 -15.454  -5.818
  829   3HD1  ILE 106          3HD1      ILE 106   6.263 -16.633  -5.726
  830    H    ASN 107           H        ASN 107   3.025 -18.564  -1.047
  831    HA   ASN 107           HA       ASN 107   3.194 -15.886   0.160
  832   1HB   ASN 107          2HB       ASN 107   2.173 -18.479   1.326
  833   2HB   ASN 107          1HB       ASN 107   2.476 -17.034   2.284
  834   1HD2  ASN 107          1HD2      ASN 107   1.570 -15.786  -0.520
  835   2HD2  ASN 107          2HD2      ASN 107  -0.129 -15.673  -0.280
  836    H    THR 108           H        THR 108   4.844 -15.394   1.487
  837    HA   THR 108           HA       THR 108   6.720 -17.442   2.337
  838    HB   THR 108           HB       THR 108   7.711 -16.917   0.247
  839    HG1  THR 108           1HG      THR 108   9.482 -15.335   1.163
  840   1HG2  THR 108          1HG2      THR 108   8.121 -14.783  -0.642
  841   2HG2  THR 108          2HG2      THR 108   7.668 -13.984   0.862
  842   3HG2  THR 108          3HG2      THR 108   6.438 -14.779  -0.120
  843    H    GLU 109           H        GLU 109   6.450 -13.894   2.099
  844    HA   GLU 109           HA       GLU 109   5.895 -13.321   4.727
  845   1HB   GLU 109          2HB       GLU 109   8.132 -14.446   5.138
  846   2HB   GLU 109          1HB       GLU 109   8.879 -13.118   4.266
  847   1HG   GLU 109          2HG       GLU 109   7.220 -12.810   6.757
  848   2HG   GLU 109          1HG       GLU 109   8.980 -12.884   6.722
  849    H    ARG 110           H        ARG 110   8.109 -12.323   2.145
  850    HA   ARG 110           HA       ARG 110   7.360  -9.536   2.494
  851   1HB   ARG 110          2HB       ARG 110   9.293 -10.919   0.630
  852   2HB   ARG 110          1HB       ARG 110   8.938  -9.202   0.530
  853   1HG   ARG 110          2HG       ARG 110   9.848  -8.818   2.706
  854   2HG   ARG 110          1HG       ARG 110  10.035 -10.553   2.988
  855   1HD   ARG 110          2HD       ARG 110  11.638 -10.654   1.124
  856   2HD   ARG 110          1HD       ARG 110  11.463  -8.914   0.893
  857    HE   ARG 110           HE       ARG 110  12.984  -8.636   2.557
  858   1HH1  ARG 110          1HH1      ARG 110  11.426 -11.719   3.034
  859   2HH1  ARG 110          2HH1      ARG 110  12.381 -12.130   4.420
  860   1HH2  ARG 110          1HH2      ARG 110  14.243  -9.172   4.378
  861   2HH2  ARG 110          2HH2      ARG 110  13.980 -10.682   5.184
  862    H    LEU 111           H        LEU 111   6.231 -12.237   0.883
  863    HA   LEU 111           HA       LEU 111   4.439 -10.607  -0.708
  864   1HB   LEU 111          2HB       LEU 111   6.108 -10.894  -2.347
  865   2HB   LEU 111          1HB       LEU 111   6.354 -12.577  -1.918
  866    HG   LEU 111           HG       LEU 111   4.140 -13.142  -2.810
  867   1HD1  LEU 111          1HD1      LEU 111   3.855 -10.264  -2.790
  868   2HD1  LEU 111          2HD1      LEU 111   2.621 -11.523  -2.893
  869   3HD1  LEU 111          3HD1      LEU 111   3.433 -10.959  -4.355
  870   1HD2  LEU 111          1HD2      LEU 111   5.172 -13.515  -4.732
  871   2HD2  LEU 111          2HD2      LEU 111   6.406 -12.333  -4.296
  872   3HD2  LEU 111          3HD2      LEU 111   4.971 -11.823  -5.186
  873    H    THR 112           H        THR 112   2.570 -11.300   0.064
  874    HA   THR 112           HA       THR 112   1.995 -14.170  -0.122
  875    HB   THR 112           HB       THR 112   2.224 -13.727   2.226
  876    HG1  THR 112           1HG      THR 112   0.497 -14.861   2.476
  877   1HG2  THR 112          1HG2      THR 112   0.283 -11.454   1.894
  878   2HG2  THR 112          2HG2      THR 112   2.005 -11.308   2.242
  879   3HG2  THR 112          3HG2      THR 112   0.929 -12.059   3.420
  880    H    VAL 113           H        VAL 113   0.773 -14.175  -1.957
  881    HA   VAL 113           HA       VAL 113  -0.790 -12.096  -2.906
  882    HB   VAL 113           HB       VAL 113  -1.242 -15.032  -3.400
  883   1HG1  VAL 113          1HG1      VAL 113  -2.335 -14.258  -5.473
  884   2HG1  VAL 113          2HG1      VAL 113  -2.164 -12.592  -4.923
  885   3HG1  VAL 113          3HG1      VAL 113  -3.186 -13.716  -4.028
  886   1HG2  VAL 113          1HG2      VAL 113   0.797 -13.159  -4.261
  887   2HG2  VAL 113          2HG2      VAL 113  -0.052 -13.905  -5.616
  888   3HG2  VAL 113          3HG2      VAL 113   0.738 -14.915  -4.405
  889    HA   PRO 114           HA       PRO 114  -4.799 -14.125  -0.976
  890   1HB   PRO 114          2HB       PRO 114  -4.093 -15.496   1.357
  891   2HB   PRO 114          1HB       PRO 114  -4.610 -16.228  -0.160
  892   1HG   PRO 114          2HG       PRO 114  -1.849 -15.810   0.880
  893   2HG   PRO 114          1HG       PRO 114  -2.522 -17.201   0.008
  894   1HD   PRO 114          2HD       PRO 114  -0.982 -15.438  -1.257
  895   2HD   PRO 114          1HD       PRO 114  -2.428 -16.105  -2.056
  896    H    HIS 115           H        HIS 115  -1.875 -13.218   0.519
  897    HA   HIS 115           HA       HIS 115  -1.277 -11.799   2.202
  898   1HB   HIS 115          2HB       HIS 115  -1.920 -10.432   0.156
  899   2HB   HIS 115          1HB       HIS 115  -3.405 -10.040   0.999
  900    HD1  HIS 115           1HD      HIS 115   0.335  -9.761   1.587
  901    HD2  HIS 115           2HD      HIS 115  -3.216  -7.879   2.634
  902    HE1  HIS 115           1HE      HIS 115   1.014  -7.743   2.923
  903    HE2  HIS 115           2HE      HIS 115  -1.155  -6.677   3.631
  904    H    TYR 116           H        TYR 116  -1.688 -12.248   4.251
  905    HA   TYR 116           HA       TYR 116  -4.442 -12.006   5.238
  906   1HB   TYR 116          2HB       TYR 116  -1.970 -13.193   6.521
  907   2HB   TYR 116          1HB       TYR 116  -3.542 -13.096   7.302
  908    HD1  TYR 116           1HD      TYR 116  -2.454 -14.147   3.871
  909    HD2  TYR 116           2HD      TYR 116  -4.468 -15.197   7.468
  910    HE1  TYR 116           1HE      TYR 116  -3.075 -16.313   2.885
  911    HE2  TYR 116           2HE      TYR 116  -5.092 -17.365   6.493
  912    HH   TYR 116           HH       TYR 116  -3.724 -18.536   3.589
  913    H    ASP 117           H        ASP 117  -4.824  -9.901   5.585
  914    HA   ASP 117           HA       ASP 117  -4.322  -8.537   7.817
  915   1HB   ASP 117          2HB       ASP 117  -1.891  -8.682   7.406
  916   2HB   ASP 117          1HB       ASP 117  -2.098  -7.817   5.887
  917    H    MET 118           H        MET 118  -4.312  -8.200   4.312
  918    HA   MET 118           HA       MET 118  -5.200  -5.543   4.168
  919   1HB   MET 118          2HB       MET 118  -5.692  -5.963   1.877
  920   2HB   MET 118          1HB       MET 118  -4.294  -6.947   2.265
  921   1HG   MET 118          2HG       MET 118  -6.116  -8.786   2.703
  922   2HG   MET 118          1HG       MET 118  -7.087  -7.755   1.644
  923   1HE   MET 118          1HE       MET 118  -4.213  -7.193  -0.976
  924   2HE   MET 118          2HE       MET 118  -5.541  -6.455  -0.081
  925   3HE   MET 118          3HE       MET 118  -5.882  -7.505  -1.456
  926    H    LYS 119           H        LYS 119  -6.836  -8.441   4.997
  927    HA   LYS 119           HA       LYS 119  -9.488  -7.607   4.399
  928   1HB   LYS 119          2HB       LYS 119 -10.173  -9.458   5.848
  929   2HB   LYS 119          1HB       LYS 119  -8.903  -9.968   4.747
  930   1HG   LYS 119          2HG       LYS 119  -7.257  -9.750   6.537
  931   2HG   LYS 119          1HG       LYS 119  -8.531  -9.232   7.643
  932   1HD   LYS 119          2HD       LYS 119  -8.418 -11.899   6.233
  933   2HD   LYS 119          1HD       LYS 119  -7.966 -11.614   7.915
  934   1HE   LYS 119          2HE       LYS 119 -10.700 -11.168   6.719
  935   2HE   LYS 119          1HE       LYS 119 -10.228 -12.533   7.729
  936   1HZ   LYS 119          1HZ       LYS 119 -10.835 -11.311   9.459
  937   2HZ   LYS 119          2HZ       LYS 119 -11.053  -9.931   8.506
  938   3HZ   LYS 119          3HZ       LYS 119  -9.529 -10.281   9.149
  939    H    ASN 120           H        ASN 120  -7.382  -6.131   6.273
  940    HA   ASN 120           HA       ASN 120  -9.400  -5.252   8.220
  941   1HB   ASN 120          2HB       ASN 120  -6.473  -5.823   8.686
  942   2HB   ASN 120          1HB       ASN 120  -7.486  -4.951   9.824
  943   1HD2  ASN 120          1HD2      ASN 120  -6.197  -7.854   9.181
  944   2HD2  ASN 120          2HD2      ASN 120  -7.340  -8.884   9.965
  945    H    ARG 121           H        ARG 121  -8.423  -4.122   5.592
  946    HA   ARG 121           HA       ARG 121  -7.964  -1.442   6.618
  947   1HB   ARG 121          2HB       ARG 121  -6.063  -1.074   5.024
  948   2HB   ARG 121          1HB       ARG 121  -5.707  -2.133   6.380
  949   1HG   ARG 121          2HG       ARG 121  -5.980  -4.081   4.938
  950   2HG   ARG 121          1HG       ARG 121  -6.351  -3.022   3.577
  951   1HD   ARG 121          2HD       ARG 121  -4.014  -3.785   3.553
  952   2HD   ARG 121          1HD       ARG 121  -4.145  -2.033   3.701
  953    HE   ARG 121           HE       ARG 121  -3.972  -3.122   6.272
  954   1HH1  ARG 121          1HH1      ARG 121  -2.010  -2.762   3.416
  955   2HH1  ARG 121          2HH1      ARG 121  -0.516  -2.716   4.292
  956   1HH2  ARG 121          1HH2      ARG 121  -2.008  -3.059   7.434
  957   2HH2  ARG 121          2HH2      ARG 121  -0.516  -2.885   6.574
  958    H    GLY 122           H        GLY 122  -9.891  -0.753   5.822
  959   1HA   GLY 122          2HA       GLY 122 -10.829  -1.252   3.158
  960   2HA   GLY 122          1HA       GLY 122 -11.443  -0.037   4.288
  961    H    PHE 123           H        PHE 123  -8.522   0.899   4.493
  962    HA   PHE 123           HA       PHE 123  -8.789   2.923   2.481
  963   1HB   PHE 123          2HB       PHE 123  -6.681   3.817   3.447
  964   2HB   PHE 123          1HB       PHE 123  -7.951   3.573   4.636
  965    HD1  PHE 123           1HD      PHE 123  -4.838   2.110   3.278
  966    HD2  PHE 123           2HD      PHE 123  -7.589   2.224   6.521
  967    HE1  PHE 123           1HE      PHE 123  -3.298   0.745   4.625
  968    HE2  PHE 123           2HE      PHE 123  -6.050   0.864   7.879
  969    HZ   PHE 123           HZ       PHE 123  -3.873   0.219   6.989
  970    H    MET 124           H        MET 124  -7.956  -0.124   2.156
  971    HA   MET 124           HA       MET 124  -6.151   0.459  -0.069
  972   1HB   MET 124          2HB       MET 124  -5.726  -1.711   1.986
  973   2HB   MET 124          1HB       MET 124  -4.917  -1.681   0.424
  974   1HG   MET 124          2HG       MET 124  -4.621   0.232   2.712
  975   2HG   MET 124          1HG       MET 124  -3.393  -0.785   1.964
  976   1HE   MET 124          1HE       MET 124  -2.519   0.622  -1.235
  977   2HE   MET 124          2HE       MET 124  -4.248   0.522  -1.562
  978   3HE   MET 124          3HE       MET 124  -3.449  -0.758  -0.651
  979    H    LEU 125           H        LEU 125  -8.753  -1.338   1.306
  980    HA   LEU 125           HA       LEU 125  -8.917  -3.216  -0.877
  981   1HB   LEU 125          2HB       LEU 125 -10.826  -2.651   1.396
  982   2HB   LEU 125          1HB       LEU 125 -10.942  -3.996   0.278
  983    HG   LEU 125           HG       LEU 125  -8.818  -3.544   2.372
  984   1HD1  LEU 125          1HD1      LEU 125 -10.826  -4.443   3.296
  985   2HD1  LEU 125          2HD1      LEU 125  -9.644  -5.747   3.181
  986   3HD1  LEU 125          3HD1      LEU 125 -10.949  -5.635   2.002
  987   1HD2  LEU 125          1HD2      LEU 125  -7.709  -5.517   1.617
  988   2HD2  LEU 125          2HD2      LEU 125  -7.881  -4.437   0.233
  989   3HD2  LEU 125          3HD2      LEU 125  -8.957  -5.823   0.408
  990    H    TRP 126           H        TRP 126 -10.853  -0.575   0.438
  991    HA   TRP 126           HA       TRP 126 -12.772  -0.428  -1.574
  992   1HB   TRP 126          2HB       TRP 126 -13.026   0.620   0.603
  993   2HB   TRP 126          1HB       TRP 126 -11.681   1.699   0.277
  994    HD1  TRP 126           HD       TRP 126 -13.164   3.790   0.699
  995    HE1  TRP 126           1HE      TRP 126 -14.943   5.002  -0.720
  996    HE3  TRP 126           3HE      TRP 126 -14.086   0.132  -2.755
  997    HZ2  TRP 126           2HZ      TRP 126 -16.524   4.474  -2.995
  998    HZ3  TRP 126           3HZ      TRP 126 -15.747   0.566  -4.515
  999    HH2  TRP 126           HH       TRP 126 -16.941   2.692  -4.633
 1000    HA   PRO 127           HA       PRO 127  -9.961   3.019  -3.660
 1001   1HB   PRO 127          2HB       PRO 127  -7.274   2.629  -3.174
 1002   2HB   PRO 127          1HB       PRO 127  -8.269   3.836  -2.356
 1003   1HG   PRO 127          2HG       PRO 127  -7.457   1.109  -1.435
 1004   2HG   PRO 127          1HG       PRO 127  -7.533   2.625  -0.520
 1005   1HD   PRO 127          2HD       PRO 127  -9.453   0.780  -0.281
 1006   2HD   PRO 127          1HD       PRO 127  -9.841   2.511  -0.286
 1007    H    LEU 128           H        LEU 128  -8.178   0.005  -2.968
 1008    HA   LEU 128           HA       LEU 128  -7.288  -0.448  -5.615
 1009   1HB   LEU 128          2HB       LEU 128  -6.372  -1.493  -3.522
 1010   2HB   LEU 128          1HB       LEU 128  -7.806  -2.494  -3.442
 1011    HG   LEU 128           HG       LEU 128  -7.160  -3.431  -5.695
 1012   1HD1  LEU 128          1HD1      LEU 128  -5.117  -1.425  -5.421
 1013   2HD1  LEU 128          2HD1      LEU 128  -5.546  -2.413  -6.818
 1014   3HD1  LEU 128          3HD1      LEU 128  -4.406  -3.027  -5.622
 1015   1HD2  LEU 128          1HD2      LEU 128  -4.870  -4.178  -4.090
 1016   2HD2  LEU 128          2HD2      LEU 128  -6.279  -5.131  -4.562
 1017   3HD2  LEU 128          3HD2      LEU 128  -6.349  -4.101  -3.131
 1018    H    PHE 129           H        PHE 129 -10.319  -0.862  -4.064
 1019    HA   PHE 129           HA       PHE 129 -11.400  -2.892  -5.752
 1020   1HB   PHE 129          2HB       PHE 129 -12.358  -2.381  -3.537
 1021   2HB   PHE 129          1HB       PHE 129 -12.800  -0.779  -4.088
 1022    HD1  PHE 129           1HD      PHE 129 -14.408  -0.701  -6.170
 1023    HD2  PHE 129           2HD      PHE 129 -13.914  -4.086  -3.621
 1024    HE1  PHE 129           1HE      PHE 129 -16.600  -1.565  -6.881
 1025    HE2  PHE 129           2HE      PHE 129 -16.099  -4.951  -4.342
 1026    HZ   PHE 129           HZ       PHE 129 -17.441  -3.700  -5.974
 1027    H    GLU 130           H        GLU 130 -11.090   0.583  -5.877
 1028    HA   GLU 130           HA       GLU 130 -12.901   1.014  -8.030
 1029   1HB   GLU 130          2HB       GLU 130 -10.603   2.724  -7.068
 1030   2HB   GLU 130          1HB       GLU 130 -11.870   3.243  -8.170
 1031   1HG   GLU 130          2HG       GLU 130 -12.291   2.366  -5.321
 1032   2HG   GLU 130          1HG       GLU 130 -12.224   4.036  -5.879
 1033    H    ILE 131           H        ILE 131  -9.361   0.680  -7.843
 1034    HA   ILE 131           HA       ILE 131  -9.037   0.956 -10.683
 1035    HB   ILE 131           HB       ILE 131  -6.710   0.438 -10.344
 1036   1HG1  ILE 131          2HG1      ILE 131  -7.438  -0.169  -7.467
 1037   2HG1  ILE 131          1HG1      ILE 131  -6.992  -1.372  -8.678
 1038   1HG2  ILE 131          1HG2      ILE 131  -7.233   2.117  -7.963
 1039   2HG2  ILE 131          2HG2      ILE 131  -7.942   2.643  -9.490
 1040   3HG2  ILE 131          3HG2      ILE 131  -6.199   2.414  -9.360
 1041   1HD1  ILE 131          1HD1      ILE 131  -5.286  -0.135  -6.926
 1042   2HD1  ILE 131          2HD1      ILE 131  -5.032   0.762  -8.424
 1043   3HD1  ILE 131          3HD1      ILE 131  -4.819  -0.989  -8.397
 1044    H    ALA 132           H        ALA 132  -9.572  -1.664  -8.466
 1045    HA   ALA 132           HA       ALA 132  -9.864  -3.504 -10.681
 1046   1HB   ALA 132          1HB       ALA 132  -8.401  -5.216  -9.493
 1047   2HB   ALA 132          2HB       ALA 132  -7.741  -3.855  -8.586
 1048   3HB   ALA 132          3HB       ALA 132  -7.575  -3.908 -10.342
 1049    HA   PRO 133           HA       PRO 133 -12.852  -4.257  -7.234
 1050   1HB   PRO 133          2HB       PRO 133 -15.096  -4.168  -8.699
 1051   2HB   PRO 133          1HB       PRO 133 -14.285  -2.690  -8.165
 1052   1HG   PRO 133          2HG       PRO 133 -14.216  -4.026 -10.841
 1053   2HG   PRO 133          1HG       PRO 133 -14.338  -2.301 -10.454
 1054   1HD   PRO 133          2HD       PRO 133 -12.003  -3.561 -11.178
 1055   2HD   PRO 133          1HD       PRO 133 -12.077  -2.075 -10.210
 1056    H    GLU 134           H        GLU 134 -11.280  -6.271  -8.450
 1057    HA   GLU 134           HA       GLU 134 -13.244  -8.420  -8.554
 1058   1HB   GLU 134          2HB       GLU 134 -11.180  -8.006 -10.726
 1059   2HB   GLU 134          1HB       GLU 134 -12.199  -9.427 -10.556
 1060   1HG   GLU 134          2HG       GLU 134 -14.182  -8.054 -10.918
 1061   2HG   GLU 134          1HG       GLU 134 -13.163  -6.623 -11.075
 1062    H    LEU 135           H        LEU 135 -10.140  -7.215  -7.785
 1063    HA   LEU 135           HA       LEU 135  -9.354  -9.897  -6.855
 1064   1HB   LEU 135          2HB       LEU 135  -7.598  -7.695  -7.906
 1065   2HB   LEU 135          1HB       LEU 135  -6.987  -9.106  -7.061
 1066    HG   LEU 135           HG       LEU 135  -6.686  -9.621  -9.290
 1067   1HD1  LEU 135          1HD1      LEU 135  -8.196 -11.232  -7.844
 1068   2HD1  LEU 135          2HD1      LEU 135  -7.792 -11.583  -9.526
 1069   3HD1  LEU 135          3HD1      LEU 135  -9.358 -10.878  -9.122
 1070   1HD2  LEU 135          1HD2      LEU 135  -8.145  -9.129 -11.079
 1071   2HD2  LEU 135          2HD2      LEU 135  -8.124  -7.684 -10.065
 1072   3HD2  LEU 135          3HD2      LEU 135  -9.489  -8.797  -9.987
 1073    H    VAL 136           H        VAL 136  -7.659  -9.833  -5.198
 1074    HA   VAL 136           HA       VAL 136  -6.923  -7.940  -3.434
 1075    HB   VAL 136           HB       VAL 136  -9.334  -7.390  -3.096
 1076   1HG1  VAL 136          1HG1      VAL 136 -10.654  -9.043  -1.739
 1077   2HG1  VAL 136          2HG1      VAL 136  -9.416 -10.236  -2.122
 1078   3HG1  VAL 136          3HG1      VAL 136 -10.369  -9.509  -3.416
 1079   1HG2  VAL 136          1HG2      VAL 136  -9.222  -7.867  -0.519
 1080   2HG2  VAL 136          2HG2      VAL 136  -8.111  -6.727  -1.278
 1081   3HG2  VAL 136          3HG2      VAL 136  -7.576  -8.366  -0.906
 1082    H    PHE 137           H        PHE 137  -8.593 -11.005  -3.661
 1083    HA   PHE 137           HA       PHE 137  -6.930 -12.159  -1.555
 1084   1HB   PHE 137          2HB       PHE 137  -9.581 -12.582  -2.586
 1085   2HB   PHE 137          1HB       PHE 137  -8.661 -14.077  -2.741
 1086    HD1  PHE 137           1HD      PHE 137  -8.422 -11.472  -0.091
 1087    HD2  PHE 137           2HD      PHE 137  -9.574 -15.447  -1.089
 1088    HE1  PHE 137           1HE      PHE 137  -8.827 -11.950   2.290
 1089    HE2  PHE 137           2HE      PHE 137  -9.980 -15.930   1.289
 1090    HZ   PHE 137           HZ       PHE 137  -9.608 -14.182   2.980
 1091    HA   PRO 138           HA       PRO 138  -4.592 -14.409  -4.595
 1092   1HB   PRO 138          2HB       PRO 138  -4.326 -16.890  -3.770
 1093   2HB   PRO 138          1HB       PRO 138  -3.906 -15.577  -2.657
 1094   1HG   PRO 138          2HG       PRO 138  -6.466 -17.146  -2.798
 1095   2HG   PRO 138          1HG       PRO 138  -5.434 -16.836  -1.385
 1096   1HD   PRO 138          2HD       PRO 138  -7.629 -15.309  -2.034
 1097   2HD   PRO 138          1HD       PRO 138  -6.231 -14.696  -1.123
 1098    H    ASP 139           H        ASP 139  -7.518 -14.149  -4.826
 1099    HA   ASP 139           HA       ASP 139  -8.791 -14.389  -6.768
 1100   1HB   ASP 139          2HB       ASP 139  -6.988 -15.766  -7.850
 1101   2HB   ASP 139          1HB       ASP 139  -7.691 -17.183  -7.085
 1102    H    GLY 140           H        GLY 140  -9.702 -14.478  -4.297
 1103   1HA   GLY 140          2HA       GLY 140 -11.878 -16.326  -4.542
 1104   2HA   GLY 140          1HA       GLY 140 -10.792 -16.699  -3.209
 1105    H    GLU 141           H        GLU 141 -11.345 -13.483  -4.300
 1106    HA   GLU 141           HA       GLU 141 -13.558 -12.871  -2.748
 1107   1HB   GLU 141          2HB       GLU 141 -11.783 -13.634  -1.014
 1108   2HB   GLU 141          1HB       GLU 141 -11.100 -12.041  -1.278
 1109   1HG   GLU 141          2HG       GLU 141 -12.500 -11.978   0.620
 1110   2HG   GLU 141          1HG       GLU 141 -13.253 -11.054  -0.673
 1111    H    MET 142           H        MET 142 -13.685 -10.603  -2.162
 1112    HA   MET 142           HA       MET 142 -12.120  -8.866  -3.915
 1113   1HB   MET 142          2HB       MET 142 -14.923  -9.309  -4.027
 1114   2HB   MET 142          1HB       MET 142 -14.628  -7.647  -3.519
 1115   1HG   MET 142          2HG       MET 142 -13.122  -7.351  -5.426
 1116   2HG   MET 142          1HG       MET 142 -13.482  -8.988  -5.944
 1117   1HE   MET 142          1HE       MET 142 -15.809  -9.852  -6.308
 1118   2HE   MET 142          2HE       MET 142 -17.104  -8.924  -7.064
 1119   3HE   MET 142          3HE       MET 142 -16.933  -8.933  -5.309
 1120    H    LEU 143           H        LEU 143 -11.226  -7.246  -3.026
 1121    HA   LEU 143           HA       LEU 143 -10.627  -6.940  -0.462
 1122   1HB   LEU 143          2HB       LEU 143 -10.872  -4.292  -1.406
 1123   2HB   LEU 143          1HB       LEU 143  -9.435  -5.294  -1.330
 1124    HG   LEU 143           HG       LEU 143 -10.051  -6.204  -3.566
 1125   1HD1  LEU 143          1HD1      LEU 143 -11.585  -4.766  -4.926
 1126   2HD1  LEU 143          2HD1      LEU 143 -12.141  -4.070  -3.405
 1127   3HD1  LEU 143          3HD1      LEU 143 -12.361  -5.791  -3.719
 1128   1HD2  LEU 143          1HD2      LEU 143  -8.933  -4.554  -4.676
 1129   2HD2  LEU 143          2HD2      LEU 143  -8.524  -4.172  -3.005
 1130   3HD2  LEU 143          3HD2      LEU 143  -9.788  -3.265  -3.832
 1131    H    ARG 144           H        ARG 144 -12.862  -4.586  -1.801
 1132    HA   ARG 144           HA       ARG 144 -13.739  -3.607   0.563
 1133   1HB   ARG 144          2HB       ARG 144 -14.108  -2.503  -1.548
 1134   2HB   ARG 144          1HB       ARG 144 -15.326  -3.704  -1.956
 1135   1HG   ARG 144          2HG       ARG 144 -16.652  -3.015  -0.019
 1136   2HG   ARG 144          1HG       ARG 144 -15.452  -1.795   0.364
 1137   1HD   ARG 144          2HD       ARG 144 -17.276  -0.741  -0.789
 1138   2HD   ARG 144          1HD       ARG 144 -15.878  -0.767  -1.863
 1139    HE   ARG 144           HE       ARG 144 -17.364  -3.040  -2.422
 1140   1HH1  ARG 144          1HH1      ARG 144 -17.785   0.417  -2.566
 1141   2HH1  ARG 144          2HH1      ARG 144 -18.899   0.355  -3.890
 1142   1HH2  ARG 144          1HH2      ARG 144 -18.837  -3.129  -4.164
 1143   2HH2  ARG 144          2HH2      ARG 144 -19.497  -1.659  -4.797
 1144    H    GLN 145           H        GLN 145 -14.629  -6.703  -0.693
 1145    HA   GLN 145           HA       GLN 145 -17.103  -6.840   0.822
 1146   1HB   GLN 145          2HB       GLN 145 -15.679  -9.344   0.069
 1147   2HB   GLN 145          1HB       GLN 145 -17.393  -8.958  -0.027
 1148   1HG   GLN 145          2HG       GLN 145 -15.218  -8.079  -1.878
 1149   2HG   GLN 145          1HG       GLN 145 -16.538  -9.199  -2.230
 1150   1HE2  GLN 145          1HE2      GLN 145 -15.483  -6.022  -2.256
 1151   2HE2  GLN 145          2HE2      GLN 145 -16.965  -5.261  -2.676
 1152    H    ILE 146           H        ILE 146 -13.785  -7.839   1.098
 1153    HA   ILE 146           HA       ILE 146 -14.043  -9.081   3.689
 1154    HB   ILE 146           HB       ILE 146 -11.392  -8.070   2.861
 1155   1HG1  ILE 146          2HG1      ILE 146 -12.526 -10.368   1.285
 1156   2HG1  ILE 146          1HG1      ILE 146 -12.611  -8.713   0.691
 1157   1HG2  ILE 146          1HG2      ILE 146 -11.662  -9.589   4.730
 1158   2HG2  ILE 146          2HG2      ILE 146 -10.728 -10.365   3.450
 1159   3HG2  ILE 146          3HG2      ILE 146 -12.426 -10.782   3.679
 1160   1HD1  ILE 146          1HD1      ILE 146 -10.687 -10.051  -0.182
 1161   2HD1  ILE 146          2HD1      ILE 146 -10.040 -10.066   1.460
 1162   3HD1  ILE 146          3HD1      ILE 146 -10.246  -8.532   0.612
 1163    H    LEU 147           H        LEU 147 -13.866  -6.064   2.331
 1164    HA   LEU 147           HA       LEU 147 -12.595  -4.593   4.461
 1165   1HB   LEU 147          2HB       LEU 147 -12.583  -4.237   1.954
 1166   2HB   LEU 147          1HB       LEU 147 -14.232  -3.692   2.115
 1167    HG   LEU 147           HG       LEU 147 -11.720  -2.382   2.963
 1168   1HD1  LEU 147          1HD1      LEU 147 -14.126  -1.567   1.381
 1169   2HD1  LEU 147          2HD1      LEU 147 -12.526  -1.967   0.753
 1170   3HD1  LEU 147          3HD1      LEU 147 -12.755  -0.518   1.738
 1171   1HD2  LEU 147          1HD2      LEU 147 -13.264  -0.614   4.000
 1172   2HD2  LEU 147          2HD2      LEU 147 -12.952  -2.067   4.950
 1173   3HD2  LEU 147          3HD2      LEU 147 -14.472  -1.897   4.074
 1174    H    HIS 148           H        HIS 148 -15.676  -4.319   2.845
 1175    HA   HIS 148           HA       HIS 148 -16.959  -2.666   4.661
 1176   1HB   HIS 148          2HB       HIS 148 -17.554  -3.213   2.244
 1177   2HB   HIS 148          1HB       HIS 148 -18.323  -4.668   2.862
 1178    HD1  HIS 148           1HD      HIS 148 -20.363  -3.180   1.583
 1179    HD2  HIS 148           2HD      HIS 148 -19.105  -2.037   5.374
 1180    HE1  HIS 148           1HE      HIS 148 -22.231  -1.778   2.515
 1181    HE2  HIS 148           2HE      HIS 148 -21.494  -1.190   4.851
 1182    H    THR 149           H        THR 149 -16.358  -6.023   4.715
 1183    HA   THR 149           HA       THR 149 -18.310  -6.356   6.892
 1184    HB   THR 149           HB       THR 149 -18.508  -8.636   6.329
 1185    HG1  THR 149           1HG      THR 149 -17.046  -9.735   5.165
 1186   1HG2  THR 149          1HG2      THR 149 -19.115  -8.713   4.017
 1187   2HG2  THR 149          2HG2      THR 149 -18.119  -7.301   3.654
 1188   3HG2  THR 149          3HG2      THR 149 -19.563  -7.131   4.654
 1189    H    ARG 150           H        ARG 150 -14.908  -6.875   6.000
 1190    HA   ARG 150           HA       ARG 150 -14.469  -7.676   8.805
 1191   1HB   ARG 150          2HB       ARG 150 -13.027  -8.529   6.318
 1192   2HB   ARG 150          1HB       ARG 150 -12.366  -8.792   7.928
 1193   1HG   ARG 150          2HG       ARG 150 -15.023  -9.824   6.955
 1194   2HG   ARG 150          1HG       ARG 150 -13.531 -10.764   7.042
 1195   1HD   ARG 150          2HD       ARG 150 -13.449 -10.411   9.458
 1196   2HD   ARG 150          1HD       ARG 150 -14.929  -9.461   9.374
 1197    HE   ARG 150           HE       ARG 150 -14.754 -12.270   9.510
 1198   1HH1  ARG 150          1HH1      ARG 150 -16.555  -9.736   7.931
 1199   2HH1  ARG 150          2HH1      ARG 150 -17.975 -10.705   7.717
 1200   1HH2  ARG 150          1HH2      ARG 150 -16.616 -13.548   9.232
 1201   2HH2  ARG 150          2HH2      ARG 150 -18.009 -12.872   8.457
 1202    H    ALA 151           H        ALA 151 -14.042  -4.935   7.031
 1203    HA   ALA 151           HA       ALA 151 -11.584  -4.333   8.529
 1204   1HB   ALA 151          1HB       ALA 151 -10.507  -3.749   6.676
 1205   2HB   ALA 151          2HB       ALA 151 -11.810  -2.652   6.220
 1206   3HB   ALA 151          3HB       ALA 151 -11.871  -4.346   5.732
 1207    H    PHE 152           H        PHE 152 -13.378  -2.130   6.485
 1208    HA   PHE 152           HA       PHE 152 -14.438  -0.838   8.898
 1209   1HB   PHE 152          2HB       PHE 152 -13.058   0.440   6.544
 1210   2HB   PHE 152          1HB       PHE 152 -14.052   1.326   7.677
 1211    HD1  PHE 152           1HD      PHE 152 -12.951   2.441   9.373
 1212    HD2  PHE 152           2HD      PHE 152 -11.231  -1.098   7.750
 1213    HE1  PHE 152           1HE      PHE 152 -11.000   2.719  10.843
 1214    HE2  PHE 152           2HE      PHE 152  -9.277  -0.826   9.220
 1215    HZ   PHE 152           HZ       PHE 152  -9.169   1.129  10.773
 1216    H    ASP 153           H        ASP 153 -16.026   0.980   8.106
 1217    HA   ASP 153           HA       ASP 153 -17.974  -0.372   6.404
 1218   1HB   ASP 153          2HB       ASP 153 -19.551   1.367   7.242
 1219   2HB   ASP 153          1HB       ASP 153 -18.816   0.432   8.540
 1220    H    LYS 154           H        LYS 154 -15.607   0.727   5.295
 1221    HA   LYS 154           HA       LYS 154 -14.966   1.796   3.405
 1222   1HB   LYS 154          2HB       LYS 154 -17.103   1.246   2.389
 1223   2HB   LYS 154          1HB       LYS 154 -17.871   2.607   3.198
 1224   1HG   LYS 154          2HG       LYS 154 -15.679   3.667   1.795
 1225   2HG   LYS 154          1HG       LYS 154 -16.469   2.533   0.700
 1226   1HD   LYS 154          2HD       LYS 154 -17.339   4.843   0.518
 1227   2HD   LYS 154          1HD       LYS 154 -18.580   3.671   0.971
 1228   1HE   LYS 154          2HE       LYS 154 -18.351   4.359   3.314
 1229   2HE   LYS 154          1HE       LYS 154 -17.116   5.527   2.846
 1230   1HZ   LYS 154          1HZ       LYS 154 -18.792   6.951   2.629
 1231   2HZ   LYS 154          2HZ       LYS 154 -19.966   5.734   2.692
 1232   3HZ   LYS 154          3HZ       LYS 154 -19.222   6.111   1.222
 1233    H    LEU 155           H        LEU 155 -13.778   3.555   3.355
 1234    HA   LEU 155           HA       LEU 155 -14.590   5.837   5.003
 1235   1HB   LEU 155          2HB       LEU 155 -12.066   6.458   4.311
 1236   2HB   LEU 155          1HB       LEU 155 -12.480   5.526   5.733
 1237    HG   LEU 155           HG       LEU 155 -11.965   3.441   4.557
 1238   1HD1  LEU 155          1HD1      LEU 155 -12.099   5.162   2.236
 1239   2HD1  LEU 155          2HD1      LEU 155 -12.115   3.401   2.334
 1240   3HD1  LEU 155          3HD1      LEU 155 -10.579   4.266   2.285
 1241   1HD2  LEU 155          1HD2      LEU 155  -9.987   3.863   5.470
 1242   2HD2  LEU 155          2HD2      LEU 155 -10.071   5.576   5.066
 1243   3HD2  LEU 155          3HD2      LEU 155  -9.479   4.419   3.875
 1244    H    ASN 156           H        ASN 156 -13.336   7.954   3.880
 1245    HA   ASN 156           HA       ASN 156 -14.477   8.035   1.168
 1246   1HB   ASN 156          2HB       ASN 156 -14.922  10.429   1.546
 1247   2HB   ASN 156          1HB       ASN 156 -15.767   9.417   2.714
 1248   1HD2  ASN 156          1HD2      ASN 156 -15.735  10.193   4.678
 1249   2HD2  ASN 156          2HD2      ASN 156 -14.467  11.124   5.392
 1250    H    LYS 157           H        LYS 157 -13.438   9.510  -0.331
 1251    HA   LYS 157           HA       LYS 157 -10.663   9.157  -0.409
 1252   1HB   LYS 157          2HB       LYS 157 -12.228  11.280  -1.883
 1253   2HB   LYS 157          1HB       LYS 157 -10.639  10.668  -2.306
 1254   1HG   LYS 157          2HG       LYS 157 -12.030   9.572  -3.796
 1255   2HG   LYS 157          1HG       LYS 157 -11.805   8.383  -2.513
 1256   1HD   LYS 157          2HD       LYS 157 -13.946   9.083  -1.517
 1257   2HD   LYS 157          1HD       LYS 157 -14.179  10.215  -2.849
 1258   1HE   LYS 157          2HE       LYS 157 -14.115   8.315  -4.426
 1259   2HE   LYS 157          1HE       LYS 157 -13.969   7.212  -3.057
 1260   1HZ   LYS 157          1HZ       LYS 157 -16.298   8.157  -4.189
 1261   2HZ   LYS 157          2HZ       LYS 157 -16.174   8.962  -2.706
 1262   3HZ   LYS 157          3HZ       LYS 157 -16.149   7.271  -2.756
 1263    H    TRP 158           H        TRP 158  -8.963  10.520   0.002
 1264    HA   TRP 158           HA       TRP 158  -8.971  12.006   2.275
 1265   1HB   TRP 158          2HB       TRP 158  -6.935  11.278   1.126
 1266   2HB   TRP 158          1HB       TRP 158  -7.226  12.435  -0.163
 1267    HD1  TRP 158           HD       TRP 158  -7.343  13.100   3.656
 1268    HE1  TRP 158           1HE      TRP 158  -5.671  14.986   4.180
 1269    HE3  TRP 158           3HE      TRP 158  -5.339  13.731  -1.005
 1270    HZ2  TRP 158           2HZ      TRP 158  -3.755  16.534   2.802
 1271    HZ3  TRP 158           3HZ      TRP 158  -3.592  15.435  -1.319
 1272    HH2  TRP 158           HH       TRP 158  -2.818  16.808   0.548
  Start of MODEL   19
    1   1H    THR   1          1HT       THR   1   4.637  -9.213 -14.317
    2   2H    THR   1          2HT       THR   1   3.293  -8.549 -15.100
    3   3H    THR   1          3HT       THR   1   3.637 -10.197 -15.261
    4    HA   THR   1           HA       THR   1   1.959 -10.260 -13.727
    5    HB   THR   1           HB       THR   1   4.508  -9.924 -12.126
    6    HG1  THR   1           1HG      THR   1   3.847 -12.450 -12.471
    7   1HG2  THR   1          1HG2      THR   1   2.496  -9.982 -10.699
    8   2HG2  THR   1          2HG2      THR   1   3.550 -11.379 -10.482
    9   3HG2  THR   1          3HG2      THR   1   2.068 -11.534 -11.424
   10    H    VAL   2           H        VAL   2   0.434  -8.844 -13.202
   11    HA   VAL   2           HA       VAL   2   1.064  -6.150 -12.413
   12    HB   VAL   2           HB       VAL   2  -1.619  -7.543 -12.473
   13   1HG1  VAL   2          1HG1      VAL   2  -1.414  -4.624 -12.829
   14   2HG1  VAL   2          2HG1      VAL   2  -1.064  -5.228 -11.210
   15   3HG1  VAL   2          3HG1      VAL   2  -2.616  -5.585 -11.967
   16   1HG2  VAL   2          1HG2      VAL   2  -1.914  -6.830 -14.663
   17   2HG2  VAL   2          2HG2      VAL   2  -0.228  -7.349 -14.644
   18   3HG2  VAL   2          3HG2      VAL   2  -0.623  -5.633 -14.552
   19    H    ALA   3           H        ALA   3   1.915  -5.926 -10.425
   20    HA   ALA   3           HA       ALA   3   0.834  -7.460  -8.194
   21   1HB   ALA   3          1HB       ALA   3   3.285  -5.813  -8.613
   22   2HB   ALA   3          2HB       ALA   3   3.128  -7.473  -8.035
   23   3HB   ALA   3          3HB       ALA   3   2.715  -6.127  -6.973
   24    H    TYR   4           H        TYR   4  -0.441  -6.648  -6.628
   25    HA   TYR   4           HA       TYR   4  -1.192  -3.821  -6.891
   26   1HB   TYR   4          2HB       TYR   4  -2.641  -6.112  -5.551
   27   2HB   TYR   4          1HB       TYR   4  -3.226  -4.450  -5.625
   28    HD1  TYR   4           1HD      TYR   4  -2.104  -7.219  -7.861
   29    HD2  TYR   4           2HD      TYR   4  -4.596  -3.806  -7.389
   30    HE1  TYR   4           1HE      TYR   4  -3.159  -7.700 -10.028
   31    HE2  TYR   4           2HE      TYR   4  -5.658  -4.275  -9.557
   32    HH   TYR   4           HH       TYR   4  -5.958  -5.921 -11.142
   33    H    ILE   5           H        ILE   5  -0.106  -2.529  -5.629
   34    HA   ILE   5           HA       ILE   5   0.518  -3.357  -2.865
   35    HB   ILE   5           HB       ILE   5   2.295  -1.311  -3.565
   36   1HG1  ILE   5          2HG1      ILE   5   2.060  -3.361  -5.779
   37   2HG1  ILE   5          1HG1      ILE   5   1.721  -1.643  -5.913
   38   1HG2  ILE   5          1HG2      ILE   5   2.768  -4.288  -3.500
   39   2HG2  ILE   5          2HG2      ILE   5   2.754  -3.213  -2.101
   40   3HG2  ILE   5          3HG2      ILE   5   3.996  -3.033  -3.340
   41   1HD1  ILE   5          1HD1      ILE   5   4.422  -2.517  -5.028
   42   2HD1  ILE   5          2HD1      ILE   5   3.936  -1.068  -5.909
   43   3HD1  ILE   5          3HD1      ILE   5   3.989  -2.626  -6.735
   44    H    ALA   6           H        ALA   6  -0.242  -2.097  -1.280
   45    HA   ALA   6           HA       ALA   6  -1.463   0.471  -1.980
   46   1HB   ALA   6          1HB       ALA   6  -2.434   0.343   0.317
   47   2HB   ALA   6          2HB       ALA   6  -1.681  -1.241   0.491
   48   3HB   ALA   6          3HB       ALA   6  -2.911  -0.979  -0.747
   49    H    ILE   7           H        ILE   7  -1.027   2.382  -0.735
   50    HA   ILE   7           HA       ILE   7   1.504   2.308   0.761
   51    HB   ILE   7           HB       ILE   7   2.142   4.481  -0.262
   52   1HG1  ILE   7          2HG1      ILE   7  -0.132   3.862  -2.167
   53   2HG1  ILE   7          1HG1      ILE   7  -0.080   5.200  -1.022
   54   1HG2  ILE   7          1HG2      ILE   7   2.165   3.071  -2.699
   55   2HG2  ILE   7          2HG2      ILE   7   2.234   1.866  -1.413
   56   3HG2  ILE   7          3HG2      ILE   7   3.436   3.156  -1.480
   57   1HD1  ILE   7          1HD1      ILE   7   0.429   6.037  -3.198
   58   2HD1  ILE   7          2HD1      ILE   7   1.668   4.805  -3.439
   59   3HD1  ILE   7          3HD1      ILE   7   1.906   6.074  -2.236
   60    H    GLY   8           H        GLY   8   1.325   3.137   2.720
   61   1HA   GLY   8          2HA       GLY   8  -0.908   4.971   3.309
   62   2HA   GLY   8          1HA       GLY   8  -0.093   3.955   4.488
   63    H    SER   9           H        SER   9  -0.578   7.010   3.997
   64    HA   SER   9           HA       SER   9   1.983   7.825   5.081
   65   1HB   SER   9          2HB       SER   9   0.964   8.988   2.485
   66   2HB   SER   9          1HB       SER   9   2.348   9.589   3.398
   67    HG   SER   9           HG       SER   9   3.258   7.447   3.122
   68    H    ASN  10           H        ASN  10   2.001  10.344   5.234
   69    HA   ASN  10           HA       ASN  10  -0.304  11.861   5.481
   70   1HB   ASN  10          2HB       ASN  10  -0.837  10.298   7.355
   71   2HB   ASN  10          1HB       ASN  10   0.613  10.863   8.180
   72   1HD2  ASN  10          1HD2      ASN  10  -0.812  13.303   6.350
   73   2HD2  ASN  10          2HD2      ASN  10  -1.667  14.102   7.618
   74    H    LEU  11           H        LEU  11   1.256  12.629   8.298
   75    HA   LEU  11           HA       LEU  11   2.826  14.155   8.902
   76   1HB   LEU  11          2HB       LEU  11   4.345  12.629   7.664
   77   2HB   LEU  11          1HB       LEU  11   4.056  13.554   6.208
   78    HG   LEU  11           HG       LEU  11   6.240  13.961   7.476
   79   1HD1  LEU  11          1HD1      LEU  11   4.691  16.484   7.060
   80   2HD1  LEU  11          2HD1      LEU  11   5.101  15.436   5.703
   81   3HD1  LEU  11          3HD1      LEU  11   6.380  16.136   6.696
   82   1HD2  LEU  11          1HD2      LEU  11   5.666  14.171   9.707
   83   2HD2  LEU  11          2HD2      LEU  11   4.259  15.175   9.359
   84   3HD2  LEU  11          3HD2      LEU  11   5.881  15.849   9.208
   85    H    ALA  12           H        ALA  12   3.343  16.383   8.639
   86    HA   ALA  12           HA       ALA  12   1.462  18.092   7.840
   87   1HB   ALA  12          1HB       ALA  12   3.273  19.024   8.971
   88   2HB   ALA  12          2HB       ALA  12   3.349  19.765   7.373
   89   3HB   ALA  12          3HB       ALA  12   4.438  18.440   7.782
   90    H    SER  13           H        SER  13   4.241  17.456   5.685
   91    HA   SER  13           HA       SER  13   2.506  18.121   3.401
   92   1HB   SER  13          2HB       SER  13   4.609  18.618   2.174
   93   2HB   SER  13          1HB       SER  13   4.409  19.635   3.600
   94    HG   SER  13           HG       SER  13   5.703  17.615   4.502
   95    HA   PRO  14           HA       PRO  14   3.185  13.579   3.054
   96   1HB   PRO  14          2HB       PRO  14   0.609  13.684   1.658
   97   2HB   PRO  14          1HB       PRO  14   1.080  12.743   3.075
   98   1HG   PRO  14          2HG       PRO  14  -0.624  14.821   3.243
   99   2HG   PRO  14          1HG       PRO  14   0.513  14.424   4.546
  100   1HD   PRO  14          2HD       PRO  14   0.707  16.550   2.441
  101   2HD   PRO  14          1HD       PRO  14   1.111  16.634   4.169
  102    H    LEU  15           H        LEU  15   2.498  16.058   0.720
  103    HA   LEU  15           HA       LEU  15   2.481  14.653  -1.654
  104   1HB   LEU  15          2HB       LEU  15   2.095  17.075  -1.481
  105   2HB   LEU  15          1HB       LEU  15   3.800  17.320  -1.155
  106    HG   LEU  15           HG       LEU  15   4.299  16.330  -3.413
  107   1HD1  LEU  15          1HD1      LEU  15   2.261  15.081  -3.752
  108   2HD1  LEU  15          2HD1      LEU  15   2.447  16.274  -5.036
  109   3HD1  LEU  15          3HD1      LEU  15   1.308  16.564  -3.722
  110   1HD2  LEU  15          1HD2      LEU  15   4.524  18.570  -3.601
  111   2HD2  LEU  15          2HD2      LEU  15   2.954  18.900  -2.869
  112   3HD2  LEU  15          3HD2      LEU  15   3.055  18.425  -4.564
  113    H    GLU  16           H        GLU  16   5.205  15.416   0.415
  114    HA   GLU  16           HA       GLU  16   7.163  14.609  -1.546
  115   1HB   GLU  16          2HB       GLU  16   7.456  15.177   1.411
  116   2HB   GLU  16          1HB       GLU  16   8.786  14.925   0.287
  117   1HG   GLU  16          2HG       GLU  16   8.111  16.910  -0.962
  118   2HG   GLU  16          1HG       GLU  16   6.776  17.163   0.161
  119    H    GLN  17           H        GLN  17   5.819  13.236   1.448
  120    HA   GLN  17           HA       GLN  17   7.404  10.935   1.548
  121   1HB   GLN  17          2HB       GLN  17   4.530  11.187   2.448
  122   2HB   GLN  17          1HB       GLN  17   5.708  10.012   3.018
  123   1HG   GLN  17          2HG       GLN  17   5.829  12.993   3.413
  124   2HG   GLN  17          1HG       GLN  17   5.414  11.791   4.632
  125   1HE2  GLN  17          1HE2      GLN  17   7.588  10.075   3.218
  126   2HE2  GLN  17          2HE2      GLN  17   9.048  10.641   3.943
  127    H    VAL  18           H        VAL  18   4.053  11.187   0.343
  128    HA   VAL  18           HA       VAL  18   3.892   8.656  -0.781
  129    HB   VAL  18           HB       VAL  18   1.937  10.132  -0.565
  130   1HG1  VAL  18          1HG1      VAL  18   1.850  12.193  -1.382
  131   2HG1  VAL  18          2HG1      VAL  18   2.237  11.625  -3.007
  132   3HG1  VAL  18          3HG1      VAL  18   3.533  12.008  -1.875
  133   1HG2  VAL  18          1HG2      VAL  18   2.549   8.444  -2.742
  134   2HG2  VAL  18          2HG2      VAL  18   1.630   9.807  -3.380
  135   3HG2  VAL  18          3HG2      VAL  18   0.964   8.830  -2.071
  136    H    ASN  19           H        ASN  19   5.023  11.692  -2.210
  137    HA   ASN  19           HA       ASN  19   5.578  10.889  -4.794
  138   1HB   ASN  19          2HB       ASN  19   5.741  13.223  -3.869
  139   2HB   ASN  19          1HB       ASN  19   7.266  12.766  -3.122
  140   1HD2  ASN  19          1HD2      ASN  19   6.517  11.376  -6.160
  141   2HD2  ASN  19          2HD2      ASN  19   7.587  12.341  -7.111
  142    H    ALA  20           H        ALA  20   7.384  10.400  -1.823
  143    HA   ALA  20           HA       ALA  20   9.822   9.540  -2.880
  144   1HB   ALA  20          1HB       ALA  20  10.384   9.039  -0.751
  145   2HB   ALA  20          2HB       ALA  20   8.888   8.153  -0.451
  146   3HB   ALA  20          3HB       ALA  20   8.899   9.915  -0.377
  147    H    ALA  21           H        ALA  21   6.845   7.742  -2.171
  148    HA   ALA  21           HA       ALA  21   7.942   5.208  -2.919
  149   1HB   ALA  21          1HB       ALA  21   6.000   4.424  -2.125
  150   2HB   ALA  21          2HB       ALA  21   5.077   5.351  -3.305
  151   3HB   ALA  21          3HB       ALA  21   5.536   6.087  -1.771
  152    H    LEU  22           H        LEU  22   6.082   7.743  -4.469
  153    HA   LEU  22           HA       LEU  22   5.665   6.487  -6.956
  154   1HB   LEU  22          2HB       LEU  22   5.625   9.305  -5.960
  155   2HB   LEU  22          1HB       LEU  22   5.541   9.014  -7.681
  156    HG   LEU  22           HG       LEU  22   3.532   7.592  -7.288
  157   1HD1  LEU  22          1HD1      LEU  22   3.724   8.674  -4.490
  158   2HD1  LEU  22          2HD1      LEU  22   3.945   6.993  -4.974
  159   3HD1  LEU  22          3HD1      LEU  22   2.368   7.764  -5.156
  160   1HD2  LEU  22          1HD2      LEU  22   3.140  10.354  -6.178
  161   2HD2  LEU  22          2HD2      LEU  22   2.030   9.399  -7.162
  162   3HD2  LEU  22          3HD2      LEU  22   3.501  10.057  -7.878
  163    H    LYS  23           H        LYS  23   8.415   7.754  -5.462
  164    HA   LYS  23           HA       LYS  23   9.877   8.448  -7.844
  165   1HB   LYS  23          2HB       LYS  23  10.301   9.557  -5.686
  166   2HB   LYS  23          1HB       LYS  23  10.807   8.022  -4.997
  167   1HG   LYS  23          2HG       LYS  23  12.694   7.940  -6.536
  168   2HG   LYS  23          1HG       LYS  23  12.178   9.470  -7.253
  169   1HD   LYS  23          2HD       LYS  23  12.464  10.575  -5.082
  170   2HD   LYS  23          1HD       LYS  23  12.989   9.048  -4.375
  171   1HE   LYS  23          2HE       LYS  23  14.907   8.996  -5.873
  172   2HE   LYS  23          1HE       LYS  23  14.368  10.489  -6.640
  173   1HZ   LYS  23          1HZ       LYS  23  14.577  11.549  -4.403
  174   2HZ   LYS  23          2HZ       LYS  23  16.043  11.057  -5.089
  175   3HZ   LYS  23          3HZ       LYS  23  15.334  10.136  -3.859
  176    H    ALA  24           H        ALA  24   9.898   5.787  -5.490
  177    HA   ALA  24           HA       ALA  24  11.839   4.279  -7.022
  178   1HB   ALA  24          1HB       ALA  24  10.454   2.784  -4.961
  179   2HB   ALA  24          2HB       ALA  24  11.056   4.327  -4.352
  180   3HB   ALA  24          3HB       ALA  24  12.167   3.180  -5.105
  181    H    LEU  25           H        LEU  25   8.497   3.717  -5.938
  182    HA   LEU  25           HA       LEU  25   7.979   1.458  -7.470
  183   1HB   LEU  25          2HB       LEU  25   6.561   2.469  -5.614
  184   2HB   LEU  25          1HB       LEU  25   5.944   3.584  -6.820
  185    HG   LEU  25           HG       LEU  25   5.022   1.712  -8.101
  186   1HD1  LEU  25          1HD1      LEU  25   6.737   0.059  -7.384
  187   2HD1  LEU  25          2HD1      LEU  25   5.081  -0.535  -7.280
  188   3HD1  LEU  25          3HD1      LEU  25   5.931  -0.032  -5.819
  189   1HD2  LEU  25          1HD2      LEU  25   4.298   2.166  -5.250
  190   2HD2  LEU  25          2HD2      LEU  25   3.488   0.870  -6.130
  191   3HD2  LEU  25          3HD2      LEU  25   3.391   2.528  -6.719
  192    H    GLY  26           H        GLY  26   7.728   4.889  -8.258
  193   1HA   GLY  26          2HA       GLY  26   6.397   4.748 -10.691
  194   2HA   GLY  26          1HA       GLY  26   7.602   5.961 -10.286
  195    H    ASP  27           H        ASP  27   9.880   4.475 -10.047
  196    HA   ASP  27           HA       ASP  27  10.141   3.102 -12.632
  197   1HB   ASP  27          2HB       ASP  27  11.023   5.378 -12.869
  198   2HB   ASP  27          1HB       ASP  27  12.086   5.120 -11.490
  199    H    ILE  28           H        ILE  28  10.369   1.079 -11.937
  200    HA   ILE  28           HA       ILE  28  12.417   0.488  -9.899
  201    HB   ILE  28           HB       ILE  28  10.246  -1.408 -10.771
  202   1HG1  ILE  28          2HG1      ILE  28  10.111   0.670  -8.575
  203   2HG1  ILE  28          1HG1      ILE  28   9.105   0.603 -10.018
  204   1HG2  ILE  28          1HG2      ILE  28  12.067  -1.224  -8.395
  205   2HG2  ILE  28          2HG2      ILE  28  11.898  -2.540  -9.558
  206   3HG2  ILE  28          3HG2      ILE  28  10.615  -2.226  -8.389
  207   1HD1  ILE  28          1HD1      ILE  28   7.892  -0.170  -8.075
  208   2HD1  ILE  28          2HD1      ILE  28   9.119  -1.400  -7.774
  209   3HD1  ILE  28          3HD1      ILE  28   8.120  -1.486  -9.225
  210    HA   PRO  29           HA       PRO  29  15.397  -1.511 -12.517
  211   1HB   PRO  29          2HB       PRO  29  14.208  -3.975 -11.288
  212   2HB   PRO  29          1HB       PRO  29  15.899  -3.583 -11.590
  213   1HG   PRO  29          2HG       PRO  29  14.616  -3.213  -9.173
  214   2HG   PRO  29          1HG       PRO  29  16.086  -2.364  -9.677
  215   1HD   PRO  29          2HD       PRO  29  13.513  -1.239  -9.204
  216   2HD   PRO  29          1HD       PRO  29  14.944  -0.415  -9.853
  217    H    GLU  30           H        GLU  30  12.302  -3.339 -12.311
  218    HA   GLU  30           HA       GLU  30  12.198  -3.315 -15.240
  219   1HB   GLU  30          2HB       GLU  30  11.811  -5.817 -13.592
  220   2HB   GLU  30          1HB       GLU  30  11.647  -5.691 -15.336
  221   1HG   GLU  30          2HG       GLU  30  14.023  -5.129 -15.510
  222   2HG   GLU  30          1HG       GLU  30  14.177  -5.285 -13.761
  223    H    SER  31           H        SER  31  10.660  -2.704 -12.395
  224    HA   SER  31           HA       SER  31   8.001  -3.514 -13.273
  225   1HB   SER  31          2HB       SER  31   8.812  -2.051 -10.756
  226   2HB   SER  31          1HB       SER  31   7.254  -2.806 -11.081
  227    HG   SER  31           HG       SER  31   9.217  -4.589 -11.463
  228    H    HIS  32           H        HIS  32   6.209  -1.832 -12.869
  229    HA   HIS  32           HA       HIS  32   6.806   0.926 -13.183
  230   1HB   HIS  32          2HB       HIS  32   5.906   1.200 -15.488
  231   2HB   HIS  32          1HB       HIS  32   7.435   0.331 -15.434
  232    HD1  HIS  32           1HD      HIS  32   6.882  -2.478 -15.227
  233    HD2  HIS  32           2HD      HIS  32   4.230   0.017 -17.228
  234    HE1  HIS  32           1HE      HIS  32   5.552  -3.984 -16.739
  235    HE2  HIS  32           2HE      HIS  32   3.892  -2.464 -17.871
  236    H    ILE  33           H        ILE  33   5.097   2.135 -12.649
  237    HA   ILE  33           HA       ILE  33   2.864   1.125 -11.414
  238    HB   ILE  33           HB       ILE  33   3.316   3.785 -12.746
  239   1HG1  ILE  33          2HG1      ILE  33   4.704   3.240 -10.791
  240   2HG1  ILE  33          1HG1      ILE  33   3.602   4.568 -10.447
  241   1HG2  ILE  33          1HG2      ILE  33   0.842   2.693 -11.644
  242   2HG2  ILE  33          2HG2      ILE  33   1.101   4.089 -12.689
  243   3HG2  ILE  33          3HG2      ILE  33   1.314   4.240 -10.944
  244   1HD1  ILE  33          1HD1      ILE  33   3.257   1.703  -9.602
  245   2HD1  ILE  33          2HD1      ILE  33   2.117   3.010  -9.283
  246   3HD1  ILE  33          3HD1      ILE  33   3.730   3.055  -8.574
  247    H    LEU  34           H        LEU  34   0.660   0.906 -11.977
  248    HA   LEU  34           HA       LEU  34   0.049   0.919 -14.846
  249   1HB   LEU  34          2HB       LEU  34   0.624  -1.390 -13.948
  250   2HB   LEU  34          1HB       LEU  34  -0.846  -1.299 -13.006
  251    HG   LEU  34           HG       LEU  34  -1.100  -2.619 -15.077
  252   1HD1  LEU  34          1HD1      LEU  34  -2.812  -0.602 -14.117
  253   2HD1  LEU  34          2HD1      LEU  34  -3.235  -2.059 -15.013
  254   3HD1  LEU  34          3HD1      LEU  34  -2.898  -0.559 -15.877
  255   1HD2  LEU  34          1HD2      LEU  34  -1.048  -1.584 -17.240
  256   2HD2  LEU  34          2HD2      LEU  34   0.493  -1.293 -16.435
  257   3HD2  LEU  34          3HD2      LEU  34  -0.710  -0.006 -16.527
  258    H    THR  35           H        THR  35  -1.257   0.841 -11.524
  259    HA   THR  35           HA       THR  35  -3.397   2.627 -12.412
  260    HB   THR  35           HB       THR  35  -4.130   0.310 -10.628
  261    HG1  THR  35           1HG      THR  35  -3.276  -0.405 -12.734
  262   1HG2  THR  35          1HG2      THR  35  -5.587   2.410 -11.060
  263   2HG2  THR  35          2HG2      THR  35  -6.316   0.805 -11.120
  264   3HG2  THR  35          3HG2      THR  35  -5.909   1.645 -12.617
  265    H    VAL  36           H        VAL  36  -3.316   4.348 -11.110
  266    HA   VAL  36           HA       VAL  36  -2.971   3.915  -8.230
  267    HB   VAL  36           HB       VAL  36  -1.418   5.953  -9.831
  268   1HG1  VAL  36          1HG1      VAL  36  -2.066   5.751  -6.958
  269   2HG1  VAL  36          2HG1      VAL  36  -1.675   7.164  -7.937
  270   3HG1  VAL  36          3HG1      VAL  36  -0.386   6.111  -7.353
  271   1HG2  VAL  36          1HG2      VAL  36  -0.750   3.351  -8.566
  272   2HG2  VAL  36          2HG2      VAL  36   0.454   4.638  -8.505
  273   3HG2  VAL  36          3HG2      VAL  36  -0.151   4.070 -10.060
  274    H    SER  37           H        SER  37  -4.663   4.768  -7.236
  275    HA   SER  37           HA       SER  37  -5.430   7.466  -7.534
  276   1HB   SER  37          2HB       SER  37  -7.687   7.154  -8.469
  277   2HB   SER  37          1HB       SER  37  -6.450   6.653  -9.621
  278    HG   SER  37           HG       SER  37  -6.874   4.517  -9.109
  279    H    SER  38           H        SER  38  -7.997   7.440  -6.635
  280    HA   SER  38           HA       SER  38  -9.297   7.192  -4.794
  281   1HB   SER  38          2HB       SER  38  -7.816   4.566  -4.491
  282   2HB   SER  38          1HB       SER  38  -9.290   5.010  -3.634
  283    HG   SER  38           HG       SER  38  -9.421   3.711  -5.689
  284    H    PHE  39           H        PHE  39  -7.683   9.017  -4.196
  285    HA   PHE  39           HA       PHE  39  -5.792   8.372  -2.120
  286   1HB   PHE  39          2HB       PHE  39  -6.836  11.076  -2.984
  287   2HB   PHE  39          1HB       PHE  39  -5.480  10.801  -1.905
  288    HD1  PHE  39           1HD      PHE  39  -6.520   9.491  -5.243
  289    HD2  PHE  39           2HD      PHE  39  -3.449  11.254  -2.882
  290    HE1  PHE  39           1HE      PHE  39  -4.999   9.424  -7.176
  291    HE2  PHE  39           2HE      PHE  39  -1.924  11.192  -4.812
  292    HZ   PHE  39           HZ       PHE  39  -2.672  10.320  -6.943
  293    H    TYR  40           H        TYR  40  -7.174   7.279  -0.696
  294    HA   TYR  40           HA       TYR  40  -9.312   8.726   0.621
  295   1HB   TYR  40          2HB       TYR  40  -9.674   6.610   1.825
  296   2HB   TYR  40          1HB       TYR  40  -9.597   6.344   0.085
  297    HD1  TYR  40           1HD      TYR  40  -7.245   5.669  -0.851
  298    HD2  TYR  40           2HD      TYR  40  -8.383   5.292   3.224
  299    HE1  TYR  40           1HE      TYR  40  -5.502   3.966  -0.522
  300    HE2  TYR  40           2HE      TYR  40  -6.648   3.595   3.565
  301    HH   TYR  40           HH       TYR  40  -5.280   1.897   1.326
  302    H    ARG  41           H        ARG  41  -9.387   8.607   3.053
  303    HA   ARG  41           HA       ARG  41  -6.745   9.330   4.135
  304   1HB   ARG  41          2HB       ARG  41  -9.331  10.585   4.289
  305   2HB   ARG  41          1HB       ARG  41  -8.777  10.180   5.908
  306   1HG   ARG  41          2HG       ARG  41  -8.045  12.392   5.420
  307   2HG   ARG  41          1HG       ARG  41  -6.626  11.342   5.400
  308   1HD   ARG  41          2HD       ARG  41  -6.869  11.221   2.908
  309   2HD   ARG  41          1HD       ARG  41  -8.133  12.445   3.026
  310    HE   ARG  41           HE       ARG  41  -5.383  12.931   2.995
  311   1HH1  ARG  41          1HH1      ARG  41  -8.222  13.921   4.767
  312   2HH1  ARG  41          2HH1      ARG  41  -7.562  15.460   5.207
  313   1HH2  ARG  41          1HH2      ARG  41  -4.515  14.950   3.571
  314   2HH2  ARG  41          2HH2      ARG  41  -5.457  16.044   4.527
  315    H    THR  42           H        THR  42  -5.928   8.252   5.904
  316    HA   THR  42           HA       THR  42  -7.674   6.425   7.390
  317    HB   THR  42           HB       THR  42  -5.255   5.556   5.826
  318    HG1  THR  42           1HG      THR  42  -7.438   5.692   4.856
  319   1HG2  THR  42          1HG2      THR  42  -6.801   4.066   7.921
  320   2HG2  THR  42          2HG2      THR  42  -5.063   4.347   7.833
  321   3HG2  THR  42          3HG2      THR  42  -5.840   3.263   6.680
  322    HA   PRO  43           HA       PRO  43  -5.082   7.771  10.759
  323   1HB   PRO  43          2HB       PRO  43  -6.082   5.489  12.264
  324   2HB   PRO  43          1HB       PRO  43  -6.346   7.210  12.545
  325   1HG   PRO  43          2HG       PRO  43  -8.309   5.543  11.682
  326   2HG   PRO  43          1HG       PRO  43  -8.252   7.267  11.273
  327   1HD   PRO  43          2HD       PRO  43  -7.511   4.895   9.613
  328   2HD   PRO  43          1HD       PRO  43  -8.302   6.410   9.128
  329    HA   PRO  44           HA       PRO  44  -1.363   5.440  10.616
  330   1HB   PRO  44          2HB       PRO  44  -0.812   5.407  13.380
  331   2HB   PRO  44          1HB       PRO  44  -0.272   6.623  12.221
  332   1HG   PRO  44          2HG       PRO  44  -2.623   6.667  14.060
  333   2HG   PRO  44          1HG       PRO  44  -1.538   7.990  13.590
  334   1HD   PRO  44          2HD       PRO  44  -3.960   7.827  12.526
  335   2HD   PRO  44          1HD       PRO  44  -2.558   8.246  11.508
  336    H    LEU  45           H        LEU  45  -2.621   4.655  13.815
  337    HA   LEU  45           HA       LEU  45  -2.816   2.690  14.929
  338   1HB   LEU  45          2HB       LEU  45  -4.564   1.224  14.020
  339   2HB   LEU  45          1HB       LEU  45  -5.013   2.915  14.001
  340    HG   LEU  45           HG       LEU  45  -4.042   2.641  11.484
  341   1HD1  LEU  45          1HD1      LEU  45  -5.135  -0.028  12.316
  342   2HD1  LEU  45          2HD1      LEU  45  -3.613   0.331  11.500
  343   3HD1  LEU  45          3HD1      LEU  45  -5.142   0.519  10.638
  344   1HD2  LEU  45          1HD2      LEU  45  -6.136   3.678  12.036
  345   2HD2  LEU  45          2HD2      LEU  45  -6.838   2.120  12.473
  346   3HD2  LEU  45          3HD2      LEU  45  -6.412   2.456  10.795
  347    H    GLY  46           H        GLY  46  -0.371   2.719  13.520
  348   1HA   GLY  46          2HA       GLY  46   0.428   0.085  13.754
  349   2HA   GLY  46          1HA       GLY  46  -0.040   0.272  12.071
  350    HA   PRO  47           HA       PRO  47   3.684   2.116  10.665
  351   1HB   PRO  47          2HB       PRO  47   2.402   4.817  10.681
  352   2HB   PRO  47          1HB       PRO  47   3.353   4.031   9.415
  353   1HG   PRO  47          2HG       PRO  47   0.702   4.150   9.240
  354   2HG   PRO  47          1HG       PRO  47   1.586   2.700   8.728
  355   1HD   PRO  47          2HD       PRO  47  -0.068   3.151  11.157
  356   2HD   PRO  47          1HD       PRO  47   0.212   1.658  10.239
  357    H    GLN  48           H        GLN  48   2.317   4.802  12.618
  358    HA   GLN  48           HA       GLN  48   4.501   4.462  14.541
  359   1HB   GLN  48          2HB       GLN  48   3.947   7.118  13.248
  360   2HB   GLN  48          1HB       GLN  48   5.240   6.742  14.381
  361   1HG   GLN  48          2HG       GLN  48   6.323   6.820  12.340
  362   2HG   GLN  48          1HG       GLN  48   6.040   5.096  12.571
  363   1HE2  GLN  48          1HE2      GLN  48   3.315   7.036  11.844
  364   2HE2  GLN  48          2HE2      GLN  48   3.134   6.565  10.192
  365    H    ASP  49           H        ASP  49   1.409   5.725  13.665
  366    HA   ASP  49           HA       ASP  49  -0.423   6.138  14.997
  367   1HB   ASP  49          2HB       ASP  49   0.537   4.809  16.857
  368   2HB   ASP  49          1HB       ASP  49   1.499   6.202  17.343
  369    H    GLN  50           H        GLN  50   2.021   7.833  14.034
  370    HA   GLN  50           HA       GLN  50   1.430  10.362  15.351
  371   1HB   GLN  50          2HB       GLN  50   3.443   9.783  13.171
  372   2HB   GLN  50          1HB       GLN  50   3.343  11.241  14.150
  373   1HG   GLN  50          2HG       GLN  50   4.089   8.478  15.069
  374   2HG   GLN  50          1HG       GLN  50   5.133   9.895  14.966
  375   1HE2  GLN  50          1HE2      GLN  50   3.414   8.012  17.020
  376   2HE2  GLN  50          2HE2      GLN  50   3.175   9.127  18.315
  377    HA   PRO  51           HA       PRO  51   0.272  11.179  10.634
  378   1HB   PRO  51          2HB       PRO  51  -0.758   8.933   9.425
  379   2HB   PRO  51          1HB       PRO  51   0.898   9.504   9.200
  380   1HG   PRO  51          2HG       PRO  51  -0.142   7.370  11.017
  381   2HG   PRO  51          1HG       PRO  51   1.319   7.370  10.007
  382   1HD   PRO  51          2HD       PRO  51   1.460   7.827  12.639
  383   2HD   PRO  51          1HD       PRO  51   2.503   8.703  11.499
  384    H    ASP  52           H        ASP  52  -2.155  10.434   9.480
  385    HA   ASP  52           HA       ASP  52  -3.975   9.788  11.637
  386   1HB   ASP  52          2HB       ASP  52  -3.518  12.223  11.936
  387   2HB   ASP  52          1HB       ASP  52  -4.143  12.502  10.313
  388    H    TYR  53           H        TYR  53  -3.429  10.751   8.312
  389    HA   TYR  53           HA       TYR  53  -4.964   8.807   7.185
  390   1HB   TYR  53          2HB       TYR  53  -6.988  10.252   6.497
  391   2HB   TYR  53          1HB       TYR  53  -6.965   9.499   8.074
  392    HD1  TYR  53           1HD      TYR  53  -8.515  10.949   9.127
  393    HD2  TYR  53           2HD      TYR  53  -5.073  12.585   7.232
  394    HE1  TYR  53           1HE      TYR  53  -8.962  13.119  10.191
  395    HE2  TYR  53           2HE      TYR  53  -5.515  14.756   8.292
  396    HH   TYR  53           HH       TYR  53  -7.710  15.153  10.830
  397    H    LEU  54           H        LEU  54  -3.560   8.738   5.427
  398    HA   LEU  54           HA       LEU  54  -4.065  10.562   3.315
  399   1HB   LEU  54          2HB       LEU  54  -2.564  11.872   4.915
  400   2HB   LEU  54          1HB       LEU  54  -1.288  10.765   4.458
  401    HG   LEU  54           HG       LEU  54  -1.198  12.915   3.275
  402   1HD1  LEU  54          1HD1      LEU  54  -0.744  10.424   2.263
  403   2HD1  LEU  54          2HD1      LEU  54  -0.295  11.937   1.474
  404   3HD1  LEU  54          3HD1      LEU  54  -1.802  11.128   1.039
  405   1HD2  LEU  54          1HD2      LEU  54  -3.937  12.097   2.451
  406   2HD2  LEU  54          2HD2      LEU  54  -2.946  13.014   1.317
  407   3HD2  LEU  54          3HD2      LEU  54  -3.319  13.686   2.904
  408    H    ASN  55           H        ASN  55  -4.347   8.692   2.056
  409    HA   ASN  55           HA       ASN  55  -1.926   7.540   1.051
  410   1HB   ASN  55          2HB       ASN  55  -2.602   5.169   1.681
  411   2HB   ASN  55          1HB       ASN  55  -1.936   6.173   2.961
  412   1HD2  ASN  55          1HD2      ASN  55  -5.001   7.260   2.291
  413   2HD2  ASN  55          2HD2      ASN  55  -5.863   6.389   3.504
  414    H    ALA  56           H        ALA  56  -2.362   5.716  -0.503
  415    HA   ALA  56           HA       ALA  56  -5.020   5.711  -1.685
  416   1HB   ALA  56          1HB       ALA  56  -4.303   7.562  -2.875
  417   2HB   ALA  56          2HB       ALA  56  -3.908   6.232  -3.962
  418   3HB   ALA  56          3HB       ALA  56  -2.642   6.978  -2.986
  419    H    ALA  57           H        ALA  57  -5.105   4.241  -3.606
  420    HA   ALA  57           HA       ALA  57  -3.559   1.833  -3.035
  421   1HB   ALA  57          1HB       ALA  57  -5.243   0.972  -4.881
  422   2HB   ALA  57          2HB       ALA  57  -6.140   2.405  -4.379
  423   3HB   ALA  57          3HB       ALA  57  -5.732   1.163  -3.196
  424    H    VAL  58           H        VAL  58  -2.237   0.835  -4.435
  425    HA   VAL  58           HA       VAL  58  -1.848   2.059  -7.062
  426    HB   VAL  58           HB       VAL  58   0.373   1.358  -5.139
  427   1HG1  VAL  58          1HG1      VAL  58   0.314   1.551  -8.008
  428   2HG1  VAL  58          2HG1      VAL  58   1.638   1.078  -6.942
  429   3HG1  VAL  58          3HG1      VAL  58   1.378   2.780  -7.324
  430   1HG2  VAL  58          1HG2      VAL  58   0.830   3.906  -5.700
  431   2HG2  VAL  58          2HG2      VAL  58  -0.250   3.423  -4.392
  432   3HG2  VAL  58          3HG2      VAL  58  -0.915   3.909  -5.951
  433    H    ALA  59           H        ALA  59  -1.402   0.679  -8.651
  434    HA   ALA  59           HA       ALA  59  -0.881  -2.130  -7.990
  435   1HB   ALA  59          1HB       ALA  59  -2.939  -2.664  -8.679
  436   2HB   ALA  59          2HB       ALA  59  -2.405  -2.233 -10.302
  437   3HB   ALA  59          3HB       ALA  59  -3.231  -1.041  -9.301
  438    H    LEU  60           H        LEU  60   1.249  -1.898  -8.542
  439    HA   LEU  60           HA       LEU  60   1.890  -0.930 -11.218
  440   1HB   LEU  60          2HB       LEU  60   3.354   0.049  -9.736
  441   2HB   LEU  60          1HB       LEU  60   3.439  -1.371  -8.712
  442    HG   LEU  60           HG       LEU  60   4.603  -1.603 -11.441
  443   1HD1  LEU  60          1HD1      LEU  60   6.039  -0.192  -9.198
  444   2HD1  LEU  60          2HD1      LEU  60   5.346   0.625 -10.598
  445   3HD1  LEU  60          3HD1      LEU  60   6.656  -0.536 -10.812
  446   1HD2  LEU  60          1HD2      LEU  60   4.913  -2.789  -8.751
  447   2HD2  LEU  60          2HD2      LEU  60   6.371  -2.663  -9.733
  448   3HD2  LEU  60          3HD2      LEU  60   4.972  -3.548 -10.341
  449    H    GLU  61           H        GLU  61   2.797  -2.127 -12.788
  450    HA   GLU  61           HA       GLU  61   2.530  -5.002 -12.552
  451   1HB   GLU  61          2HB       GLU  61   1.725  -3.770 -14.563
  452   2HB   GLU  61          1HB       GLU  61   3.390  -3.332 -14.924
  453   1HG   GLU  61          2HG       GLU  61   3.982  -5.631 -15.247
  454   2HG   GLU  61          1HG       GLU  61   2.383  -6.145 -14.718
  455    H    THR  62           H        THR  62   4.206  -5.691 -11.260
  456    HA   THR  62           HA       THR  62   6.914  -4.856 -11.848
  457    HB   THR  62           HB       THR  62   6.240  -5.023  -9.505
  458    HG1  THR  62           1HG      THR  62   8.212  -5.577  -9.193
  459   1HG2  THR  62          1HG2      THR  62   6.207  -7.934  -9.389
  460   2HG2  THR  62          2HG2      THR  62   4.805  -7.227 -10.190
  461   3HG2  THR  62          3HG2      THR  62   5.215  -6.747  -8.543
  462    H    SER  63           H        SER  63   8.529  -6.704 -11.555
  463    HA   SER  63           HA       SER  63   7.801  -9.154 -12.946
  464   1HB   SER  63          2HB       SER  63   9.950  -7.242 -13.902
  465   2HB   SER  63          1HB       SER  63   9.770  -8.900 -14.478
  466    HG   SER  63           HG       SER  63   8.478  -8.015 -15.882
  467    H    LEU  64           H        LEU  64   9.013  -7.582 -10.502
  468    HA   LEU  64           HA       LEU  64  11.048  -9.573  -9.811
  469   1HB   LEU  64          2HB       LEU  64  11.594  -7.504  -8.158
  470   2HB   LEU  64          1HB       LEU  64  12.419  -7.788  -9.680
  471    HG   LEU  64           HG       LEU  64   9.988  -6.013  -9.493
  472   1HD1  LEU  64          1HD1      LEU  64  12.650  -5.552  -8.453
  473   2HD1  LEU  64          2HD1      LEU  64  11.196  -4.564  -8.307
  474   3HD1  LEU  64          3HD1      LEU  64  12.237  -4.397  -9.721
  475   1HD2  LEU  64          1HD2      LEU  64  11.921  -5.235 -11.425
  476   2HD2  LEU  64          2HD2      LEU  64  10.280  -5.826 -11.687
  477   3HD2  LEU  64          3HD2      LEU  64  11.626  -6.964 -11.609
  478    H    ALA  65           H        ALA  65  10.553 -10.793  -8.113
  479    HA   ALA  65           HA       ALA  65   8.166 -10.914  -6.848
  480   1HB   ALA  65          1HB       ALA  65   9.931 -12.592  -6.581
  481   2HB   ALA  65          2HB       ALA  65   9.266 -12.103  -5.022
  482   3HB   ALA  65          3HB       ALA  65  10.830 -11.482  -5.550
  483    HA   PRO  66           HA       PRO  66   7.407  -7.131  -4.649
  484   1HB   PRO  66          2HB       PRO  66   6.409  -9.126  -2.648
  485   2HB   PRO  66          1HB       PRO  66   5.671  -7.610  -3.185
  486   1HG   PRO  66          2HG       PRO  66   4.835  -9.943  -4.155
  487   2HG   PRO  66          1HG       PRO  66   4.959  -8.508  -5.183
  488   1HD   PRO  66          2HD       PRO  66   6.646 -10.938  -5.133
  489   2HD   PRO  66          1HD       PRO  66   6.343  -9.800  -6.464
  490    H    GLU  67           H        GLU  67   9.336  -9.732  -3.442
  491    HA   GLU  67           HA       GLU  67  10.071  -8.662  -0.947
  492   1HB   GLU  67          2HB       GLU  67  11.758 -10.348  -2.812
  493   2HB   GLU  67          1HB       GLU  67  11.969 -10.178  -1.074
  494   1HG   GLU  67          2HG       GLU  67   9.868 -11.293  -0.670
  495   2HG   GLU  67          1HG       GLU  67   9.550 -11.383  -2.404
  496    H    GLU  68           H        GLU  68  11.528  -8.494  -4.151
  497    HA   GLU  68           HA       GLU  68  13.540  -6.593  -3.444
  498   1HB   GLU  68          2HB       GLU  68  12.547  -7.014  -6.243
  499   2HB   GLU  68          1HB       GLU  68  14.178  -6.707  -5.682
  500   1HG   GLU  68          2HG       GLU  68  12.637  -9.261  -5.374
  501   2HG   GLU  68          1HG       GLU  68  13.980  -8.970  -6.481
  502    H    LEU  69           H        LEU  69  10.500  -6.478  -5.249
  503    HA   LEU  69           HA       LEU  69  10.409  -3.839  -5.986
  504   1HB   LEU  69          2HB       LEU  69   8.660  -4.902  -6.888
  505   2HB   LEU  69          1HB       LEU  69   8.455  -5.985  -5.533
  506    HG   LEU  69           HG       LEU  69   7.443  -3.882  -4.340
  507   1HD1  LEU  69          1HD1      LEU  69   8.169  -2.335  -6.140
  508   2HD1  LEU  69          2HD1      LEU  69   6.446  -2.253  -5.770
  509   3HD1  LEU  69          3HD1      LEU  69   6.999  -3.104  -7.212
  510   1HD2  LEU  69          1HD2      LEU  69   5.442  -4.852  -4.665
  511   2HD2  LEU  69          2HD2      LEU  69   6.343  -6.041  -5.611
  512   3HD2  LEU  69          3HD2      LEU  69   5.544  -4.694  -6.419
  513    H    LEU  70           H        LEU  70   9.065  -5.193  -2.963
  514    HA   LEU  70           HA       LEU  70   8.198  -2.801  -1.849
  515   1HB   LEU  70          2HB       LEU  70   9.246  -5.281  -0.490
  516   2HB   LEU  70          1HB       LEU  70   8.496  -3.950   0.367
  517    HG   LEU  70           HG       LEU  70   7.167  -5.724  -1.682
  518   1HD1  LEU  70          1HD1      LEU  70   7.191  -7.020   0.198
  519   2HD1  LEU  70          2HD1      LEU  70   5.721  -6.088   0.485
  520   3HD1  LEU  70          3HD1      LEU  70   7.224  -5.636   1.288
  521   1HD2  LEU  70          1HD2      LEU  70   6.311  -3.451  -1.827
  522   2HD2  LEU  70          2HD2      LEU  70   6.047  -3.426  -0.083
  523   3HD2  LEU  70          3HD2      LEU  70   5.115  -4.526  -1.100
  524    H    ASN  71           H        ASN  71  11.368  -4.373  -1.621
  525    HA   ASN  71           HA       ASN  71  12.570  -2.709   0.219
  526   1HB   ASN  71          2HB       ASN  71  13.612  -4.337  -2.049
  527   2HB   ASN  71          1HB       ASN  71  14.709  -3.226  -1.235
  528   1HD2  ASN  71          1HD2      ASN  71  13.598  -6.310  -1.263
  529   2HD2  ASN  71          2HD2      ASN  71  13.966  -6.762   0.360
  530    H    HIS  72           H        HIS  72  12.476  -2.229  -3.324
  531    HA   HIS  72           HA       HIS  72  13.979   0.141  -3.315
  532   1HB   HIS  72          2HB       HIS  72  11.942  -0.909  -5.271
  533   2HB   HIS  72          1HB       HIS  72  12.877   0.556  -5.556
  534    HD1  HIS  72           1HD      HIS  72  15.608   0.103  -5.416
  535    HD2  HIS  72           2HD      HIS  72  13.139  -3.142  -6.172
  536    HE1  HIS  72           1HE      HIS  72  17.105  -1.665  -6.400
  537    HE2  HIS  72           2HE      HIS  72  15.605  -3.656  -6.755
  538    H    THR  73           H        THR  73  10.439  -0.282  -3.387
  539    HA   THR  73           HA       THR  73   9.805   2.443  -3.377
  540    HB   THR  73           HB       THR  73   7.620   1.688  -2.389
  541    HG1  THR  73           1HG      THR  73   7.385  -0.603  -2.192
  542   1HG2  THR  73          1HG2      THR  73   8.218  -0.295  -4.505
  543   2HG2  THR  73          2HG2      THR  73   8.385   1.416  -4.900
  544   3HG2  THR  73          3HG2      THR  73   6.842   0.792  -4.319
  545    H    GLN  74           H        GLN  74  10.381   0.199  -0.722
  546    HA   GLN  74           HA       GLN  74  10.018   2.197   1.311
  547   1HB   GLN  74          2HB       GLN  74  10.445   0.476   2.879
  548   2HB   GLN  74          1HB       GLN  74   9.524  -0.280   1.587
  549   1HG   GLN  74          2HG       GLN  74  11.595  -1.183   0.648
  550   2HG   GLN  74          1HG       GLN  74  12.502  -0.447   1.968
  551   1HE2  GLN  74          1HE2      GLN  74  13.006  -1.798   3.524
  552   2HE2  GLN  74          2HE2      GLN  74  12.096  -3.178   4.017
  553    H    ARG  75           H        ARG  75  12.375   1.536  -0.873
  554    HA   ARG  75           HA       ARG  75  14.699   1.952   0.786
  555   1HB   ARG  75          2HB       ARG  75  14.889   0.593  -1.229
  556   2HB   ARG  75          1HB       ARG  75  14.339   1.933  -2.219
  557   1HG   ARG  75          2HG       ARG  75  16.348   3.152  -1.809
  558   2HG   ARG  75          1HG       ARG  75  16.879   1.966  -0.612
  559   1HD   ARG  75          2HD       ARG  75  17.124   0.280  -2.289
  560   2HD   ARG  75          1HD       ARG  75  16.366   1.300  -3.512
  561    HE   ARG  75           HE       ARG  75  18.432   2.176  -3.904
  562   1HH1  ARG  75          1HH1      ARG  75  18.368   1.009  -0.617
  563   2HH1  ARG  75          2HH1      ARG  75  20.018   1.437  -0.300
  564   1HH2  ARG  75          1HH2      ARG  75  20.600   2.740  -3.491
  565   2HH2  ARG  75          2HH2      ARG  75  21.284   2.420  -1.932
  566    H    ILE  76           H        ILE  76  12.766   3.785  -1.522
  567    HA   ILE  76           HA       ILE  76  14.277   6.166  -1.336
  568    HB   ILE  76           HB       ILE  76  11.388   5.761  -2.123
  569   1HG1  ILE  76          2HG1      ILE  76  13.010   4.650  -3.592
  570   2HG1  ILE  76          1HG1      ILE  76  12.248   6.009  -4.411
  571   1HG2  ILE  76          1HG2      ILE  76  13.134   8.198  -2.139
  572   2HG2  ILE  76          2HG2      ILE  76  11.498   8.014  -1.511
  573   3HG2  ILE  76          3HG2      ILE  76  11.777   8.030  -3.251
  574   1HD1  ILE  76          1HD1      ILE  76  15.044   5.761  -3.384
  575   2HD1  ILE  76          2HD1      ILE  76  14.317   7.340  -3.677
  576   3HD1  ILE  76          3HD1      ILE  76  14.481   6.187  -5.000
  577    H    GLU  77           H        GLU  77  11.390   4.946   0.389
  578    HA   GLU  77           HA       GLU  77  11.156   7.297   1.992
  579   1HB   GLU  77          2HB       GLU  77   9.633   6.026   3.415
  580   2HB   GLU  77          1HB       GLU  77   9.223   5.820   1.724
  581   1HG   GLU  77          2HG       GLU  77   8.966   3.715   2.638
  582   2HG   GLU  77          1HG       GLU  77  10.537   3.636   1.858
  583    H    LEU  78           H        LEU  78  13.215   4.568   2.032
  584    HA   LEU  78           HA       LEU  78  13.912   4.581   4.788
  585   1HB   LEU  78          2HB       LEU  78  14.434   2.682   3.325
  586   2HB   LEU  78          1HB       LEU  78  15.500   3.694   2.372
  587    HG   LEU  78           HG       LEU  78  16.973   3.961   4.348
  588   1HD1  LEU  78          1HD1      LEU  78  16.546   2.125   6.139
  589   2HD1  LEU  78          2HD1      LEU  78  14.875   2.236   5.589
  590   3HD1  LEU  78          3HD1      LEU  78  15.687   3.661   6.238
  591   1HD2  LEU  78          1HD2      LEU  78  17.259   1.213   4.400
  592   2HD2  LEU  78          2HD2      LEU  78  18.006   2.321   3.249
  593   3HD2  LEU  78          3HD2      LEU  78  16.484   1.526   2.847
  594    H    GLN  79           H        GLN  79  14.694   6.508   2.050
  595    HA   GLN  79           HA       GLN  79  16.640   8.038   3.652
  596   1HB   GLN  79          2HB       GLN  79  16.504   7.760   0.642
  597   2HB   GLN  79          1HB       GLN  79  17.650   8.763   1.520
  598   1HG   GLN  79          2HG       GLN  79  18.571   6.755   2.585
  599   2HG   GLN  79          1HG       GLN  79  17.440   5.763   1.663
  600   1HE2  GLN  79          1HE2      GLN  79  20.531   6.773   1.775
  601   2HE2  GLN  79          2HE2      GLN  79  20.949   6.662   0.102
  602    H    GLN  80           H        GLN  80  13.555   8.050   2.559
  603    HA   GLN  80           HA       GLN  80  13.490  10.963   2.162
  604   1HB   GLN  80          2HB       GLN  80  11.736   8.750   1.125
  605   2HB   GLN  80          1HB       GLN  80  11.080  10.375   1.298
  606   1HG   GLN  80          2HG       GLN  80  13.547   9.688  -0.280
  607   2HG   GLN  80          1HG       GLN  80  11.933   9.862  -0.963
  608   1HE2  GLN  80          1HE2      GLN  80  11.914  12.057   1.401
  609   2HE2  GLN  80          2HE2      GLN  80  12.512  13.439   0.558
  610    H    GLY  81           H        GLY  81  11.756   8.299   3.768
  611   1HA   GLY  81          2HA       GLY  81  10.593  10.276   5.612
  612   2HA   GLY  81          1HA       GLY  81   9.961   8.661   5.327
  613    H    ARG  82           H        ARG  82  13.154   8.186   5.400
  614    HA   ARG  82           HA       ARG  82  13.240   7.845   8.326
  615   1HB   ARG  82          2HB       ARG  82  14.395   5.998   6.228
  616   2HB   ARG  82          1HB       ARG  82  14.573   5.803   7.964
  617   1HG   ARG  82          2HG       ARG  82  12.138   5.544   8.166
  618   2HG   ARG  82          1HG       ARG  82  11.997   5.679   6.412
  619   1HD   ARG  82          2HD       ARG  82  13.384   3.695   6.137
  620   2HD   ARG  82          1HD       ARG  82  13.576   3.571   7.884
  621    HE   ARG  82           HE       ARG  82  10.839   3.554   7.268
  622   1HH1  ARG  82          1HH1      ARG  82  13.677   1.565   6.913
  623   2HH1  ARG  82          2HH1      ARG  82  12.795   0.074   6.925
  624   1HH2  ARG  82          1HH2      ARG  82   9.665   1.593   7.284
  625   2HH2  ARG  82          2HH2      ARG  82  10.514   0.091   7.135
  626    H    VAL  83           H        VAL  83  14.241  10.018   6.577
  627    HA   VAL  83           HA       VAL  83  16.957   9.980   6.088
  628    HB   VAL  83           HB       VAL  83  15.452  12.334   7.237
  629   1HG1  VAL  83          1HG1      VAL  83  17.487  12.796   5.192
  630   2HG1  VAL  83          2HG1      VAL  83  18.120  12.103   6.684
  631   3HG1  VAL  83          3HG1      VAL  83  17.215  13.614   6.730
  632   1HG2  VAL  83          1HG2      VAL  83  14.177  11.526   5.384
  633   2HG2  VAL  83          2HG2      VAL  83  15.626  11.334   4.397
  634   3HG2  VAL  83          3HG2      VAL  83  15.068  12.948   4.841
  635    H    ARG  84           H        ARG  84  15.262  10.182   9.104
  636    HA   ARG  84           HA       ARG  84  17.679  10.848  10.591
  637   1HB   ARG  84          2HB       ARG  84  15.310  11.800  11.007
  638   2HB   ARG  84          1HB       ARG  84  14.978  10.255  11.775
  639   1HG   ARG  84          2HG       ARG  84  17.240  12.054  12.593
  640   2HG   ARG  84          1HG       ARG  84  15.631  12.120  13.306
  641   1HD   ARG  84          2HD       ARG  84  15.861   9.746  13.955
  642   2HD   ARG  84          1HD       ARG  84  17.499   9.752  13.304
  643    HE   ARG  84           HE       ARG  84  16.730  10.629  15.855
  644   1HH1  ARG  84          1HH1      ARG  84  18.779  11.594  13.203
  645   2HH1  ARG  84          2HH1      ARG  84  19.885  12.466  14.211
  646   1HH2  ARG  84          1HH2      ARG  84  18.179  11.774  17.183
  647   2HH2  ARG  84          2HH2      ARG  84  19.545  12.566  16.472
  648    H    LYS  85           H        LYS  85  15.093   8.428  11.068
  649    HA   LYS  85           HA       LYS  85  16.718   6.159  10.938
  650   1HB   LYS  85          2HB       LYS  85  17.818   7.093  12.932
  651   2HB   LYS  85          1HB       LYS  85  16.269   7.154  13.761
  652   1HG   LYS  85          2HG       LYS  85  17.550   5.246  14.505
  653   2HG   LYS  85          1HG       LYS  85  16.112   4.711  13.635
  654   1HD   LYS  85          2HD       LYS  85  17.486   4.377  11.617
  655   2HD   LYS  85          1HD       LYS  85  18.917   4.862  12.528
  656   1HE   LYS  85          2HE       LYS  85  18.594   2.978  14.048
  657   2HE   LYS  85          1HE       LYS  85  17.146   2.503  13.162
  658   1HZ   LYS  85          1HZ       LYS  85  19.964   2.343  12.320
  659   2HZ   LYS  85          2HZ       LYS  85  18.736   2.409  11.160
  660   3HZ   LYS  85          3HZ       LYS  85  18.771   1.144  12.281
  661    H    ALA  86           H        ALA  86  14.839   5.486   9.857
  662    HA   ALA  86           HA       ALA  86  12.772   4.553   9.610
  663   1HB   ALA  86          1HB       ALA  86  13.305   2.667  10.747
  664   2HB   ALA  86          2HB       ALA  86  12.098   3.285  11.874
  665   3HB   ALA  86          3HB       ALA  86  13.813   3.547  12.188
  666    H    GLU  87           H        GLU  87  12.196   6.985   9.691
  667    HA   GLU  87           HA       GLU  87  10.990   8.753  10.550
  668   1HB   GLU  87          2HB       GLU  87   8.588   8.209  10.620
  669   2HB   GLU  87          1HB       GLU  87   9.399   7.530   9.218
  670   1HG   GLU  87          2HG       GLU  87   8.960   5.890  11.681
  671   2HG   GLU  87          1HG       GLU  87   7.682   6.099  10.487
  672    H    ARG  88           H        ARG  88  12.408   8.587  12.575
  673    HA   ARG  88           HA       ARG  88  11.388   7.503  14.961
  674   1HB   ARG  88          2HB       ARG  88  13.748   8.207  14.598
  675   2HB   ARG  88          1HB       ARG  88  13.224   9.884  14.653
  676   1HG   ARG  88          2HG       ARG  88  14.160   9.286  16.773
  677   2HG   ARG  88          1HG       ARG  88  12.423   9.516  16.963
  678   1HD   ARG  88          2HD       ARG  88  13.723   6.826  16.573
  679   2HD   ARG  88          1HD       ARG  88  13.374   7.524  18.154
  680    HE   ARG  88           HE       ARG  88  11.014   7.554  16.668
  681   1HH1  ARG  88          1HH1      ARG  88  13.216   5.233  18.047
  682   2HH1  ARG  88          2HH1      ARG  88  11.997   4.027  18.288
  683   1HH2  ARG  88          1HH2      ARG  88   9.404   5.973  16.980
  684   2HH2  ARG  88          2HH2      ARG  88   9.829   4.447  17.681
  685    H    TRP  89           H        TRP  89  11.403  10.905  13.868
  686    HA   TRP  89           HA       TRP  89   8.997  11.334  15.517
  687   1HB   TRP  89          2HB       TRP  89  11.394  13.097  15.100
  688   2HB   TRP  89          1HB       TRP  89   9.836  13.795  15.526
  689    HD1  TRP  89           HD       TRP  89  11.461  10.591  16.989
  690    HE1  TRP  89           1HE      TRP  89  11.646  10.893  19.538
  691    HE3  TRP  89           3HE      TRP  89   9.745  15.390  17.360
  692    HZ2  TRP  89           2HZ      TRP  89  11.133  12.903  21.452
  693    HZ3  TRP  89           3HZ      TRP  89   9.624  16.430  19.587
  694    HH2  TRP  89           HH       TRP  89  10.303  15.210  21.590
  695    H    GLY  90           H        GLY  90   7.238  11.932  14.446
  696   1HA   GLY  90          2HA       GLY  90   6.057  13.318  12.922
  697   2HA   GLY  90          1HA       GLY  90   7.523  13.475  11.968
  698    HA   PRO  91           HA       PRO  91   4.488   9.766  10.778
  699   1HB   PRO  91          2HB       PRO  91   3.190  11.790   9.036
  700   2HB   PRO  91          1HB       PRO  91   2.471  10.450   9.934
  701   1HG   PRO  91          2HG       PRO  91   2.197  12.968  10.771
  702   2HG   PRO  91          1HG       PRO  91   2.415  11.636  11.921
  703   1HD   PRO  91          2HD       PRO  91   4.374  13.693  11.004
  704   2HD   PRO  91          1HD       PRO  91   4.175  12.952  12.606
  705    H    ARG  92           H        ARG  92   6.504  12.138   9.423
  706    HA   ARG  92           HA       ARG  92   6.526  11.593   6.715
  707   1HB   ARG  92          2HB       ARG  92   8.930  12.285   6.779
  708   2HB   ARG  92          1HB       ARG  92   7.833  13.403   7.574
  709   1HG   ARG  92          2HG       ARG  92   8.493  12.552   9.744
  710   2HG   ARG  92          1HG       ARG  92   9.535  11.352   8.977
  711   1HD   ARG  92          2HD       ARG  92  10.814  13.280   9.779
  712   2HD   ARG  92          1HD       ARG  92  10.906  13.121   8.027
  713    HE   ARG  92           HE       ARG  92  10.023  15.209   7.892
  714   1HH1  ARG  92          1HH1      ARG  92   8.977  13.802  10.907
  715   2HH1  ARG  92          2HH1      ARG  92   8.101  15.211  11.405
  716   1HH2  ARG  92          1HH2      ARG  92   8.872  17.064   8.543
  717   2HH2  ARG  92          2HH2      ARG  92   8.041  17.063  10.063
  718    H    THR  93           H        THR  93   6.592   9.653   5.771
  719    HA   THR  93           HA       THR  93   8.786   7.986   5.772
  720    HB   THR  93           HB       THR  93   8.155   7.493   8.117
  721    HG1  THR  93           1HG      THR  93   9.158   5.824   7.087
  722   1HG2  THR  93          1HG2      THR  93   6.119   5.880   8.280
  723   2HG2  THR  93          2HG2      THR  93   5.552   6.780   6.872
  724   3HG2  THR  93          3HG2      THR  93   5.891   7.626   8.382
  725    H    LEU  94           H        LEU  94   7.006   5.484   5.689
  726    HA   LEU  94           HA       LEU  94   5.026   5.893   3.727
  727   1HB   LEU  94          2HB       LEU  94   7.551   6.224   2.734
  728   2HB   LEU  94          1HB       LEU  94   7.249   4.537   2.381
  729    HG   LEU  94           HG       LEU  94   5.366   6.739   1.571
  730   1HD1  LEU  94          1HD1      LEU  94   7.456   5.437  -0.155
  731   2HD1  LEU  94          2HD1      LEU  94   7.681   6.998   0.634
  732   3HD1  LEU  94          3HD1      LEU  94   6.402   6.791  -0.561
  733   1HD2  LEU  94          1HD2      LEU  94   5.711   3.922   0.556
  734   2HD2  LEU  94          2HD2      LEU  94   4.493   5.087   0.039
  735   3HD2  LEU  94          3HD2      LEU  94   4.460   4.444   1.681
  736    H    ASP  95           H        ASP  95   3.929   3.999   3.210
  737    HA   ASP  95           HA       ASP  95   4.947   1.544   4.493
  738   1HB   ASP  95          2HB       ASP  95   2.085   2.499   4.292
  739   2HB   ASP  95          1HB       ASP  95   2.583   0.942   4.947
  740    H    LEU  96           H        LEU  96   5.599   0.235   2.906
  741    HA   LEU  96           HA       LEU  96   3.966   0.065   0.462
  742   1HB   LEU  96          2HB       LEU  96   6.827  -0.776   0.921
  743   2HB   LEU  96          1HB       LEU  96   5.967  -0.888  -0.600
  744    HG   LEU  96           HG       LEU  96   7.392   1.001  -0.723
  745   1HD1  LEU  96          1HD1      LEU  96   5.910   2.646  -1.389
  746   2HD1  LEU  96          2HD1      LEU  96   4.758   2.266  -0.109
  747   3HD1  LEU  96          3HD1      LEU  96   4.944   1.173  -1.480
  748   1HD2  LEU  96          1HD2      LEU  96   7.842   1.371   1.615
  749   2HD2  LEU  96          2HD2      LEU  96   6.182   1.903   1.884
  750   3HD2  LEU  96          3HD2      LEU  96   7.267   2.869   0.883
  751    H    ASP  97           H        ASP  97   2.625  -1.623   0.371
  752    HA   ASP  97           HA       ASP  97   3.614  -4.285   1.028
  753   1HB   ASP  97          2HB       ASP  97   1.116  -3.162   2.323
  754   2HB   ASP  97          1HB       ASP  97   1.617  -4.847   2.387
  755    H    ILE  98           H        ILE  98   2.893  -5.818  -0.160
  756    HA   ILE  98           HA       ILE  98   1.033  -5.035  -2.261
  757    HB   ILE  98           HB       ILE  98   3.258  -5.856  -2.927
  758   1HG1  ILE  98          2HG1      ILE  98   0.877  -7.520  -3.640
  759   2HG1  ILE  98          1HG1      ILE  98   1.407  -6.044  -4.425
  760   1HG2  ILE  98          1HG2      ILE  98   4.181  -7.665  -2.023
  761   2HG2  ILE  98          2HG2      ILE  98   2.822  -8.657  -2.559
  762   3HG2  ILE  98          3HG2      ILE  98   2.761  -7.845  -0.994
  763   1HD1  ILE  98          1HD1      ILE  98   2.137  -7.655  -5.896
  764   2HD1  ILE  98          2HD1      ILE  98   2.543  -8.793  -4.611
  765   3HD1  ILE  98          3HD1      ILE  98   3.574  -7.393  -4.907
  766    H    MET  99           H        MET  99  -0.930  -5.826  -2.388
  767    HA   MET  99           HA       MET  99  -1.821  -7.800  -0.476
  768   1HB   MET  99          2HB       MET  99  -3.253  -6.088  -2.500
  769   2HB   MET  99          1HB       MET  99  -4.076  -7.330  -1.568
  770   1HG   MET  99          2HG       MET  99  -4.379  -5.140  -0.578
  771   2HG   MET  99          1HG       MET  99  -3.475  -6.204   0.499
  772   1HE   MET  99          1HE       MET  99  -2.701  -4.268   1.971
  773   2HE   MET  99          2HE       MET  99  -3.513  -3.036   1.006
  774   3HE   MET  99          3HE       MET  99  -1.808  -2.851   1.420
  775    H    LEU 100           H        LEU 100  -1.230  -7.556  -3.943
  776    HA   LEU 100           HA       LEU 100  -1.605 -10.463  -4.114
  777   1HB   LEU 100          2HB       LEU 100  -2.992  -8.427  -5.826
  778   2HB   LEU 100          1HB       LEU 100  -2.701 -10.056  -6.402
  779    HG   LEU 100           HG       LEU 100  -3.915 -10.733  -4.174
  780   1HD1  LEU 100          1HD1      LEU 100  -5.402  -8.199  -4.654
  781   2HD1  LEU 100          2HD1      LEU 100  -3.984  -8.184  -3.606
  782   3HD1  LEU 100          3HD1      LEU 100  -5.351  -9.227  -3.222
  783   1HD2  LEU 100          1HD2      LEU 100  -5.555 -11.364  -5.549
  784   2HD2  LEU 100          2HD2      LEU 100  -4.600 -10.601  -6.820
  785   3HD2  LEU 100          3HD2      LEU 100  -5.904  -9.708  -6.040
  786    H    PHE 101           H        PHE 101  -0.219 -11.520  -5.446
  787    HA   PHE 101           HA       PHE 101   1.757  -9.856  -6.849
  788   1HB   PHE 101          2HB       PHE 101   2.686 -11.432  -5.214
  789   2HB   PHE 101          1HB       PHE 101   1.890 -12.771  -6.036
  790    HD1  PHE 101           1HD      PHE 101   3.617 -14.102  -6.818
  791    HD2  PHE 101           2HD      PHE 101   3.773  -9.900  -7.475
  792    HE1  PHE 101           1HE      PHE 101   5.592 -14.402  -8.254
  793    HE2  PHE 101           2HE      PHE 101   5.749 -10.193  -8.912
  794    HZ   PHE 101           HZ       PHE 101   6.660 -12.447  -9.303
  795    H    GLY 102           H        GLY 102  -0.016  -9.535  -8.460
  796   1HA   GLY 102          2HA       GLY 102  -0.600  -9.845 -10.675
  797   2HA   GLY 102          1HA       GLY 102   0.429 -11.267 -10.706
  798    H    ASN 103           H        ASN 103  -1.305 -11.970  -8.163
  799    HA   ASN 103           HA       ASN 103  -3.401 -12.878  -7.701
  800   1HB   ASN 103          2HB       ASN 103  -4.350 -11.840  -9.827
  801   2HB   ASN 103          1HB       ASN 103  -3.834 -13.302 -10.665
  802   1HD2  ASN 103          1HD2      ASN 103  -6.282 -11.834  -8.951
  803   2HD2  ASN 103          2HD2      ASN 103  -7.254 -13.222  -8.634
  804    H    GLU 104           H        GLU 104  -0.986 -13.857  -7.593
  805    HA   GLU 104           HA       GLU 104  -1.144 -16.627  -8.557
  806   1HB   GLU 104          2HB       GLU 104   0.755 -15.447  -9.474
  807   2HB   GLU 104          1HB       GLU 104   1.192 -14.829  -7.890
  808   1HG   GLU 104          2HG       GLU 104   2.690 -16.553  -8.473
  809   2HG   GLU 104          1HG       GLU 104   1.665 -17.125  -7.163
  810    H    VAL 105           H        VAL 105  -1.120 -18.223  -7.005
  811    HA   VAL 105           HA       VAL 105  -1.530 -17.407  -4.292
  812    HB   VAL 105           HB       VAL 105  -1.129 -20.218  -5.349
  813   1HG1  VAL 105          1HG1      VAL 105  -2.195 -19.135  -2.753
  814   2HG1  VAL 105          2HG1      VAL 105  -0.839 -20.235  -3.002
  815   3HG1  VAL 105          3HG1      VAL 105  -2.487 -20.788  -3.296
  816   1HG2  VAL 105          1HG2      VAL 105  -3.036 -19.766  -6.465
  817   2HG2  VAL 105          2HG2      VAL 105  -3.426 -18.380  -5.448
  818   3HG2  VAL 105          3HG2      VAL 105  -3.783 -20.014  -4.887
  819    H    ILE 106           H        ILE 106   0.277 -16.422  -3.601
  820    HA   ILE 106           HA       ILE 106   2.522 -18.172  -2.972
  821    HB   ILE 106           HB       ILE 106   3.125 -17.081  -5.052
  822   1HG1  ILE 106          2HG1      ILE 106   4.622 -15.745  -2.794
  823   2HG1  ILE 106          1HG1      ILE 106   4.880 -17.411  -3.313
  824   1HG2  ILE 106          1HG2      ILE 106   1.615 -14.987  -4.191
  825   2HG2  ILE 106          2HG2      ILE 106   2.704 -14.957  -5.578
  826   3HG2  ILE 106          3HG2      ILE 106   3.253 -14.355  -4.013
  827   1HD1  ILE 106          1HD1      ILE 106   5.962 -15.005  -4.390
  828   2HD1  ILE 106          2HD1      ILE 106   4.999 -15.826  -5.624
  829   3HD1  ILE 106          3HD1      ILE 106   6.320 -16.680  -4.818
  830    H    ASN 107           H        ASN 107   2.283 -18.163  -0.839
  831    HA   ASN 107           HA       ASN 107   1.880 -15.613   0.547
  832   1HB   ASN 107          2HB       ASN 107   1.713 -18.339   1.805
  833   2HB   ASN 107          1HB       ASN 107   0.978 -16.833   2.348
  834   1HD2  ASN 107          1HD2      ASN 107  -0.967 -16.256   1.587
  835   2HD2  ASN 107          2HD2      ASN 107  -1.907 -17.193   0.488
  836    H    THR 108           H        THR 108   3.427 -14.701   1.680
  837    HA   THR 108           HA       THR 108   5.564 -16.273   2.865
  838    HB   THR 108           HB       THR 108   7.314 -14.781   1.895
  839    HG1  THR 108           1HG      THR 108   5.090 -13.816   0.461
  840   1HG2  THR 108          1HG2      THR 108   5.918 -15.953  -0.455
  841   2HG2  THR 108          2HG2      THR 108   6.526 -17.017   0.814
  842   3HG2  THR 108          3HG2      THR 108   7.633 -15.947  -0.044
  843    H    GLU 109           H        GLU 109   6.751 -13.237   2.684
  844    HA   GLU 109           HA       GLU 109   5.172 -12.209   4.933
  845   1HB   GLU 109          2HB       GLU 109   8.196 -12.303   4.825
  846   2HB   GLU 109          1HB       GLU 109   7.244 -11.530   6.085
  847   1HG   GLU 109          2HG       GLU 109   6.300 -13.691   6.708
  848   2HG   GLU 109          1HG       GLU 109   7.246 -14.470   5.440
  849    H    ARG 110           H        ARG 110   6.855 -11.717   2.026
  850    HA   ARG 110           HA       ARG 110   6.605  -8.796   2.286
  851   1HB   ARG 110          2HB       ARG 110   8.352 -10.442   0.447
  852   2HB   ARG 110          1HB       ARG 110   8.196  -8.696   0.360
  853   1HG   ARG 110          2HG       ARG 110   9.251  -8.387   2.437
  854   2HG   ARG 110          1HG       ARG 110   9.116 -10.099   2.850
  855   1HD   ARG 110          2HD       ARG 110  10.675 -10.650   1.053
  856   2HD   ARG 110          1HD       ARG 110  10.788  -8.945   0.618
  857    HE   ARG 110           HE       ARG 110  12.251 -10.252   2.639
  858   1HH1  ARG 110          1HH1      ARG 110  10.579  -7.257   2.011
  859   2HH1  ARG 110          2HH1      ARG 110  11.546  -6.338   3.115
  860   1HH2  ARG 110          1HH2      ARG 110  13.526  -9.047   4.095
  861   2HH2  ARG 110          2HH2      ARG 110  13.218  -7.355   4.299
  862    H    LEU 111           H        LEU 111   5.119 -11.477   0.981
  863    HA   LEU 111           HA       LEU 111   3.428  -9.838  -0.654
  864   1HB   LEU 111          2HB       LEU 111   3.752 -11.152  -2.730
  865   2HB   LEU 111          1HB       LEU 111   5.113 -10.144  -2.291
  866    HG   LEU 111           HG       LEU 111   5.049 -13.072  -1.613
  867   1HD1  LEU 111          1HD1      LEU 111   6.715 -12.872  -3.762
  868   2HD1  LEU 111          2HD1      LEU 111   5.399 -11.793  -4.223
  869   3HD1  LEU 111          3HD1      LEU 111   5.057 -13.476  -3.818
  870   1HD2  LEU 111          1HD2      LEU 111   7.623 -12.346  -2.091
  871   2HD2  LEU 111          2HD2      LEU 111   6.861 -12.345  -0.500
  872   3HD2  LEU 111          3HD2      LEU 111   6.959 -10.850  -1.432
  873    H    THR 112           H        THR 112   1.633 -10.498   0.315
  874    HA   THR 112           HA       THR 112   1.005 -13.374   0.235
  875    HB   THR 112           HB       THR 112   0.999 -12.660   2.516
  876    HG1  THR 112           1HG      THR 112  -1.004 -13.259   3.042
  877   1HG2  THR 112          1HG2      THR 112  -0.298 -10.823   3.381
  878   2HG2  THR 112          2HG2      THR 112  -0.843 -10.410   1.756
  879   3HG2  THR 112          3HG2      THR 112   0.858 -10.241   2.184
  880    H    VAL 113           H        VAL 113   0.138 -13.465  -1.794
  881    HA   VAL 113           HA       VAL 113  -1.384 -11.597  -3.097
  882    HB   VAL 113           HB       VAL 113  -0.429 -13.796  -3.994
  883   1HG1  VAL 113          1HG1      VAL 113  -1.444 -15.495  -2.790
  884   2HG1  VAL 113          2HG1      VAL 113  -2.312 -15.510  -4.324
  885   3HG1  VAL 113          3HG1      VAL 113  -3.043 -14.759  -2.904
  886   1HG2  VAL 113          1HG2      VAL 113  -3.123 -12.791  -4.895
  887   2HG2  VAL 113          2HG2      VAL 113  -2.050 -13.809  -5.855
  888   3HG2  VAL 113          3HG2      VAL 113  -1.547 -12.185  -5.395
  889    HA   PRO 114           HA       PRO 114  -5.414 -13.172  -1.208
  890   1HB   PRO 114          2HB       PRO 114  -5.027 -14.769   1.103
  891   2HB   PRO 114          1HB       PRO 114  -5.596 -15.287  -0.482
  892   1HG   PRO 114          2HG       PRO 114  -3.202 -16.059   0.681
  893   2HG   PRO 114          1HG       PRO 114  -3.590 -16.157  -1.049
  894   1HD   PRO 114          2HD       PRO 114  -2.031 -14.076   0.431
  895   2HD   PRO 114          1HD       PRO 114  -1.749 -14.783  -1.174
  896    H    HIS 115           H        HIS 115  -2.723 -12.520   0.857
  897    HA   HIS 115           HA       HIS 115  -2.360 -11.037   2.524
  898   1HB   HIS 115          2HB       HIS 115  -3.506  -9.539   0.886
  899   2HB   HIS 115          1HB       HIS 115  -5.008  -9.834   1.738
  900    HD1  HIS 115           1HD      HIS 115  -1.490  -8.834   2.820
  901    HD2  HIS 115           2HD      HIS 115  -5.444  -7.712   3.396
  902    HE1  HIS 115           1HE      HIS 115  -1.412  -6.893   4.415
  903    HE2  HIS 115           2HE      HIS 115  -3.824  -6.323   4.853
  904    H    TYR 116           H        TYR 116  -2.440 -11.742   4.542
  905    HA   TYR 116           HA       TYR 116  -4.997 -12.702   5.589
  906   1HB   TYR 116          2HB       TYR 116  -2.166 -13.030   6.604
  907   2HB   TYR 116          1HB       TYR 116  -3.587 -13.608   7.464
  908    HD1  TYR 116           1HD      TYR 116  -2.619 -13.771   3.848
  909    HD2  TYR 116           2HD      TYR 116  -3.601 -15.912   7.391
  910    HE1  TYR 116           1HE      TYR 116  -2.525 -15.882   2.592
  911    HE2  TYR 116           2HE      TYR 116  -3.508 -18.028   6.143
  912    HH   TYR 116           HH       TYR 116  -2.824 -18.994   4.204
  913    H    ASP 117           H        ASP 117  -6.107 -11.001   6.219
  914    HA   ASP 117           HA       ASP 117  -6.601  -9.849   8.346
  915   1HB   ASP 117          2HB       ASP 117  -3.814  -8.822   7.889
  916   2HB   ASP 117          1HB       ASP 117  -4.976  -7.883   8.819
  917    H    MET 118           H        MET 118  -6.904  -9.651   5.362
  918    HA   MET 118           HA       MET 118  -7.049  -6.832   4.834
  919   1HB   MET 118          2HB       MET 118  -8.477  -7.806   2.809
  920   2HB   MET 118          1HB       MET 118  -6.720  -7.908   2.835
  921   1HG   MET 118          2HG       MET 118  -7.647 -10.005   2.141
  922   2HG   MET 118          1HG       MET 118  -6.887 -10.193   3.717
  923   1HE   MET 118          1HE       MET 118  -9.786 -12.765   3.971
  924   2HE   MET 118          2HE       MET 118  -8.044 -12.496   4.024
  925   3HE   MET 118          3HE       MET 118  -8.907 -12.384   2.489
  926    H    LYS 119           H        LYS 119  -9.300  -9.340   5.811
  927    HA   LYS 119           HA       LYS 119 -11.705  -7.917   5.484
  928   1HB   LYS 119          2HB       LYS 119 -12.552  -9.476   7.281
  929   2HB   LYS 119          1HB       LYS 119 -11.791 -10.274   5.912
  930   1HG   LYS 119          2HG       LYS 119  -9.750 -10.573   7.186
  931   2HG   LYS 119          1HG       LYS 119 -10.459  -9.718   8.554
  932   1HD   LYS 119          2HD       LYS 119 -11.523 -12.283   7.372
  933   2HD   LYS 119          1HD       LYS 119 -10.518 -12.177   8.817
  934   1HE   LYS 119          2HE       LYS 119 -12.241 -10.795   9.894
  935   2HE   LYS 119          1HE       LYS 119 -13.249 -10.945   8.455
  936   1HZ   LYS 119          1HZ       LYS 119 -14.029 -12.557   9.939
  937   2HZ   LYS 119          2HZ       LYS 119 -12.474 -13.062  10.371
  938   3HZ   LYS 119          3HZ       LYS 119 -13.086 -13.426   8.837
  939    H    ASN 120           H        ASN 120  -9.086  -7.184   7.332
  940    HA   ASN 120           HA       ASN 120 -10.696  -5.653   9.266
  941   1HB   ASN 120          2HB       ASN 120  -8.026  -7.014   9.561
  942   2HB   ASN 120          1HB       ASN 120  -8.561  -5.761  10.670
  943   1HD2  ASN 120          1HD2      ASN 120  -8.339  -8.968  10.291
  944   2HD2  ASN 120          2HD2      ASN 120  -9.648  -9.494  11.288
  945    H    ARG 121           H        ARG 121  -9.942  -4.710   6.613
  946    HA   ARG 121           HA       ARG 121  -8.806  -2.224   7.393
  947   1HB   ARG 121          2HB       ARG 121  -6.761  -2.338   6.015
  948   2HB   ARG 121          1HB       ARG 121  -6.740  -3.455   7.374
  949   1HG   ARG 121          2HG       ARG 121  -7.308  -5.293   5.892
  950   2HG   ARG 121          1HG       ARG 121  -7.380  -4.182   4.525
  951   1HD   ARG 121          2HD       ARG 121  -5.271  -5.179   4.381
  952   2HD   ARG 121          1HD       ARG 121  -4.971  -3.596   5.083
  953    HE   ARG 121           HE       ARG 121  -4.590  -6.160   6.348
  954   1HH1  ARG 121          1HH1      ARG 121  -4.918  -2.722   6.818
  955   2HH1  ARG 121          2HH1      ARG 121  -4.258  -2.751   8.419
  956   1HH2  ARG 121          1HH2      ARG 121  -3.718  -6.201   8.450
  957   2HH2  ARG 121          2HH2      ARG 121  -3.574  -4.725   9.345
  958    H    GLY 122           H        GLY 122 -10.839  -1.660   6.376
  959   1HA   GLY 122          2HA       GLY 122 -11.256  -2.013   3.540
  960   2HA   GLY 122          1HA       GLY 122 -12.116  -0.901   4.611
  961    H    PHE 123           H        PHE 123  -9.007  -0.307   5.241
  962    HA   PHE 123           HA       PHE 123  -8.961   2.002   3.462
  963   1HB   PHE 123          2HB       PHE 123  -7.090   2.763   4.966
  964   2HB   PHE 123          1HB       PHE 123  -8.652   2.582   5.750
  965    HD1  PHE 123           1HD      PHE 123  -5.575   0.561   5.086
  966    HD2  PHE 123           2HD      PHE 123  -8.702   1.568   7.792
  967    HE1  PHE 123           1HE      PHE 123  -4.551  -0.875   6.801
  968    HE2  PHE 123           2HE      PHE 123  -7.684   0.132   9.509
  969    HZ   PHE 123           HZ       PHE 123  -5.605  -1.091   9.015
  970    H    MET 124           H        MET 124  -8.419  -0.626   2.472
  971    HA   MET 124           HA       MET 124  -6.000  -0.070   1.034
  972   1HB   MET 124          2HB       MET 124  -6.125  -2.458   2.891
  973   2HB   MET 124          1HB       MET 124  -4.973  -2.313   1.572
  974   1HG   MET 124          2HG       MET 124  -4.040  -0.306   2.611
  975   2HG   MET 124          1HG       MET 124  -5.191  -0.464   3.936
  976   1HE   MET 124          1HE       MET 124  -3.195  -0.437   5.761
  977   2HE   MET 124          2HE       MET 124  -2.127  -0.144   4.388
  978   3HE   MET 124          3HE       MET 124  -1.734  -1.403   5.559
  979    H    LEU 125           H        LEU 125  -8.699  -2.113   1.824
  980    HA   LEU 125           HA       LEU 125  -8.582  -3.620  -0.606
  981   1HB   LEU 125          2HB       LEU 125 -10.667  -3.479   1.556
  982   2HB   LEU 125          1HB       LEU 125 -10.665  -4.626   0.234
  983    HG   LEU 125           HG       LEU 125  -8.659  -4.450   2.480
  984   1HD1  LEU 125          1HD1      LEU 125 -11.027  -6.110   1.897
  985   2HD1  LEU 125          2HD1      LEU 125 -10.337  -5.612   3.441
  986   3HD1  LEU 125          3HD1      LEU 125  -9.616  -6.947   2.541
  987   1HD2  LEU 125          1HD2      LEU 125  -7.342  -6.040   1.475
  988   2HD2  LEU 125          2HD2      LEU 125  -7.863  -5.115   0.067
  989   3HD2  LEU 125          3HD2      LEU 125  -8.652  -6.642   0.459
  990    H    TRP 126           H        TRP 126 -10.554  -1.012   0.733
  991    HA   TRP 126           HA       TRP 126 -12.356  -0.880  -1.449
  992   1HB   TRP 126          2HB       TRP 126 -13.198   0.120   0.462
  993   2HB   TRP 126          1HB       TRP 126 -11.673   0.907   0.849
  994    HD1  TRP 126           HD       TRP 126 -12.087   3.367   0.831
  995    HE1  TRP 126           1HE      TRP 126 -13.267   5.055  -0.727
  996    HE3  TRP 126           3HE      TRP 126 -14.023   0.099  -2.579
  997    HZ2  TRP 126           2HZ      TRP 126 -14.807   4.996  -3.097
  998    HZ3  TRP 126           3HZ      TRP 126 -15.336   0.987  -4.460
  999    HH2  TRP 126           HH       TRP 126 -15.720   3.385  -4.712
 1000    HA   PRO 127           HA       PRO 127  -9.458   2.860  -2.877
 1001   1HB   PRO 127          2HB       PRO 127  -6.812   2.178  -2.327
 1002   2HB   PRO 127          1HB       PRO 127  -7.749   3.410  -1.481
 1003   1HG   PRO 127          2HG       PRO 127  -7.219   0.570  -0.713
 1004   2HG   PRO 127          1HG       PRO 127  -7.268   2.021   0.309
 1005   1HD   PRO 127          2HD       PRO 127  -9.319   0.330   0.289
 1006   2HD   PRO 127          1HD       PRO 127  -9.598   2.085   0.315
 1007    H    LEU 128           H        LEU 128  -7.965  -0.367  -2.552
 1008    HA   LEU 128           HA       LEU 128  -7.016  -0.460  -5.239
 1009   1HB   LEU 128          2HB       LEU 128  -6.143  -1.791  -3.272
 1010   2HB   LEU 128          1HB       LEU 128  -7.577  -2.790  -3.399
 1011    HG   LEU 128           HG       LEU 128  -6.898  -3.398  -5.715
 1012   1HD1  LEU 128          1HD1      LEU 128  -4.300  -2.945  -5.994
 1013   2HD1  LEU 128          2HD1      LEU 128  -4.707  -1.514  -5.047
 1014   3HD1  LEU 128          3HD1      LEU 128  -5.516  -1.815  -6.586
 1015   1HD2  LEU 128          1HD2      LEU 128  -6.366  -5.029  -4.157
 1016   2HD2  LEU 128          2HD2      LEU 128  -5.175  -4.010  -3.346
 1017   3HD2  LEU 128          3HD2      LEU 128  -4.811  -4.706  -4.926
 1018    H    PHE 129           H        PHE 129 -10.074  -0.997  -3.748
 1019    HA   PHE 129           HA       PHE 129 -11.216  -2.856  -5.521
 1020   1HB   PHE 129          2HB       PHE 129 -12.294  -2.130  -3.395
 1021   2HB   PHE 129          1HB       PHE 129 -12.611  -0.557  -4.117
 1022    HD1  PHE 129           1HD      PHE 129 -14.125  -0.448  -6.161
 1023    HD2  PHE 129           2HD      PHE 129 -13.767  -3.911  -3.691
 1024    HE1  PHE 129           1HE      PHE 129 -16.279  -1.291  -7.005
 1025    HE2  PHE 129           2HE      PHE 129 -15.909  -4.755  -4.553
 1026    HZ   PHE 129           HZ       PHE 129 -17.142  -3.445  -6.273
 1027    H    GLU 130           H        GLU 130 -11.039   0.683  -5.592
 1028    HA   GLU 130           HA       GLU 130 -12.433   1.053  -8.013
 1029   1HB   GLU 130          2HB       GLU 130 -11.961   2.908  -6.466
 1030   2HB   GLU 130          1HB       GLU 130 -10.239   2.742  -6.782
 1031   1HG   GLU 130          2HG       GLU 130 -11.175   4.612  -8.006
 1032   2HG   GLU 130          1HG       GLU 130 -10.591   3.366  -9.109
 1033    H    ILE 131           H        ILE 131  -9.017   0.597  -7.234
 1034    HA   ILE 131           HA       ILE 131  -7.856   0.871  -9.730
 1035    HB   ILE 131           HB       ILE 131  -7.175  -1.164  -7.597
 1036   1HG1  ILE 131          2HG1      ILE 131  -7.143   1.129  -6.740
 1037   2HG1  ILE 131          1HG1      ILE 131  -5.513   0.474  -6.841
 1038   1HG2  ILE 131          1HG2      ILE 131  -6.225  -1.167 -10.127
 1039   2HG2  ILE 131          2HG2      ILE 131  -5.336  -1.761  -8.725
 1040   3HG2  ILE 131          3HG2      ILE 131  -5.045  -0.129  -9.325
 1041   1HD1  ILE 131          1HD1      ILE 131  -5.048   1.765  -8.796
 1042   2HD1  ILE 131          2HD1      ILE 131  -5.719   2.837  -7.566
 1043   3HD1  ILE 131          3HD1      ILE 131  -6.727   2.291  -8.907
 1044    H    ALA 132           H        ALA 132  -9.398  -1.944  -8.253
 1045    HA   ALA 132           HA       ALA 132 -10.452  -2.947 -10.656
 1046   1HB   ALA 132          1HB       ALA 132  -8.857  -5.139 -10.287
 1047   2HB   ALA 132          2HB       ALA 132  -7.732  -3.807 -10.023
 1048   3HB   ALA 132          3HB       ALA 132  -8.634  -3.913 -11.534
 1049    HA   PRO 133           HA       PRO 133 -12.547  -4.798  -7.120
 1050   1HB   PRO 133          2HB       PRO 133 -14.905  -4.983  -8.720
 1051   2HB   PRO 133          1HB       PRO 133 -14.542  -3.797  -7.468
 1052   1HG   PRO 133          2HG       PRO 133 -14.786  -3.233 -10.167
 1053   2HG   PRO 133          1HG       PRO 133 -13.947  -2.214  -8.987
 1054   1HD   PRO 133          2HD       PRO 133 -12.822  -4.174 -10.943
 1055   2HD   PRO 133          1HD       PRO 133 -12.178  -2.605 -10.421
 1056    H    GLU 134           H        GLU 134 -10.963  -6.612  -8.074
 1057    HA   GLU 134           HA       GLU 134 -12.619  -8.946  -8.356
 1058   1HB   GLU 134          2HB       GLU 134 -11.501  -9.743 -10.427
 1059   2HB   GLU 134          1HB       GLU 134 -12.509  -8.326 -10.685
 1060   1HG   GLU 134          2HG       GLU 134 -10.521  -6.906 -10.654
 1061   2HG   GLU 134          1HG       GLU 134  -9.513  -8.330 -10.402
 1062    H    LEU 135           H        LEU 135  -9.878  -7.374  -7.339
 1063    HA   LEU 135           HA       LEU 135  -8.097  -9.624  -7.297
 1064   1HB   LEU 135          2HB       LEU 135  -7.984  -6.935  -5.970
 1065   2HB   LEU 135          1HB       LEU 135  -6.762  -8.166  -5.707
 1066    HG   LEU 135           HG       LEU 135  -5.933  -6.688  -7.366
 1067   1HD1  LEU 135          1HD1      LEU 135  -6.510  -8.488  -9.440
 1068   2HD1  LEU 135          2HD1      LEU 135  -6.504  -9.430  -7.948
 1069   3HD1  LEU 135          3HD1      LEU 135  -5.093  -8.464  -8.389
 1070   1HD2  LEU 135          1HD2      LEU 135  -8.651  -6.447  -8.096
 1071   2HD2  LEU 135          2HD2      LEU 135  -7.767  -7.008  -9.515
 1072   3HD2  LEU 135          3HD2      LEU 135  -7.273  -5.526  -8.695
 1073    H    VAL 136           H        VAL 136  -6.986  -9.827  -4.921
 1074    HA   VAL 136           HA       VAL 136  -7.106 -10.750  -2.856
 1075    HB   VAL 136           HB       VAL 136  -9.974  -9.796  -2.879
 1076   1HG1  VAL 136          1HG1      VAL 136  -9.105 -10.185  -0.253
 1077   2HG1  VAL 136          2HG1      VAL 136  -8.616 -11.635  -1.126
 1078   3HG1  VAL 136          3HG1      VAL 136 -10.305 -11.133  -1.129
 1079   1HG2  VAL 136          1HG2      VAL 136  -9.130  -8.099  -1.316
 1080   2HG2  VAL 136          2HG2      VAL 136  -8.334  -7.999  -2.886
 1081   3HG2  VAL 136          3HG2      VAL 136  -7.499  -8.736  -1.518
 1082    H    PHE 137           H        PHE 137  -8.957 -11.562  -5.488
 1083    HA   PHE 137           HA       PHE 137 -10.494 -13.699  -5.038
 1084   1HB   PHE 137          2HB       PHE 137  -9.920 -12.814  -7.271
 1085   2HB   PHE 137          1HB       PHE 137  -8.355 -13.609  -7.168
 1086    HD1  PHE 137           1HD      PHE 137  -8.290 -15.346  -8.676
 1087    HD2  PHE 137           2HD      PHE 137 -11.816 -14.742  -6.365
 1088    HE1  PHE 137           1HE      PHE 137  -9.270 -17.386  -9.641
 1089    HE2  PHE 137           2HE      PHE 137 -12.799 -16.782  -7.326
 1090    HZ   PHE 137           HZ       PHE 137 -11.515 -18.107  -8.979
 1091    HA   PRO 138           HA       PRO 138  -5.919 -16.249  -4.881
 1092   1HB   PRO 138          2HB       PRO 138  -5.863 -14.478  -2.410
 1093   2HB   PRO 138          1HB       PRO 138  -4.527 -15.353  -3.187
 1094   1HG   PRO 138          2HG       PRO 138  -5.085 -12.749  -3.716
 1095   2HG   PRO 138          1HG       PRO 138  -4.367 -13.842  -4.909
 1096   1HD   PRO 138          2HD       PRO 138  -6.969 -12.599  -4.959
 1097   2HD   PRO 138          1HD       PRO 138  -6.230 -13.643  -6.188
 1098    H    ASP 139           H        ASP 139  -7.801 -15.084  -2.107
 1099    HA   ASP 139           HA       ASP 139  -9.444 -17.307  -1.819
 1100   1HB   ASP 139          2HB       ASP 139  -8.498 -18.392   0.195
 1101   2HB   ASP 139          1HB       ASP 139  -7.475 -18.592  -1.219
 1102    H    GLY 140           H        GLY 140  -9.857 -14.659  -1.791
 1103   1HA   GLY 140          2HA       GLY 140 -10.977 -14.261   0.868
 1104   2HA   GLY 140          1HA       GLY 140  -9.819 -13.061   0.312
 1105    H    GLU 141           H        GLU 141 -11.424 -14.210  -2.356
 1106    HA   GLU 141           HA       GLU 141 -13.164 -13.489  -3.644
 1107   1HB   GLU 141          2HB       GLU 141 -14.053 -11.787  -1.309
 1108   2HB   GLU 141          1HB       GLU 141 -15.005 -12.253  -2.706
 1109   1HG   GLU 141          2HG       GLU 141 -14.071 -13.984  -0.440
 1110   2HG   GLU 141          1HG       GLU 141 -15.726 -13.551  -0.857
 1111    H    MET 142           H        MET 142 -14.007 -10.537  -2.653
 1112    HA   MET 142           HA       MET 142 -11.754  -9.288  -4.032
 1113   1HB   MET 142          2HB       MET 142 -14.659  -8.602  -4.129
 1114   2HB   MET 142          1HB       MET 142 -13.416  -7.451  -4.602
 1115   1HG   MET 142          2HG       MET 142 -13.949  -8.425  -6.605
 1116   2HG   MET 142          1HG       MET 142 -12.566  -9.385  -6.068
 1117   1HE   MET 142          1HE       MET 142 -13.746 -10.331  -8.191
 1118   2HE   MET 142          2HE       MET 142 -15.194 -11.337  -8.177
 1119   3HE   MET 142          3HE       MET 142 -13.643 -12.017  -7.686
 1120    H    LEU 143           H        LEU 143 -10.939  -7.475  -3.267
 1121    HA   LEU 143           HA       LEU 143 -10.426  -7.214  -0.675
 1122   1HB   LEU 143          2HB       LEU 143 -10.352  -4.575  -1.386
 1123   2HB   LEU 143          1HB       LEU 143  -9.074  -5.740  -1.625
 1124    HG   LEU 143           HG       LEU 143  -9.594  -4.274  -3.590
 1125   1HD1  LEU 143          1HD1      LEU 143  -9.748  -6.291  -5.207
 1126   2HD1  LEU 143          2HD1      LEU 143  -9.602  -7.248  -3.734
 1127   3HD1  LEU 143          3HD1      LEU 143  -8.336  -6.101  -4.168
 1128   1HD2  LEU 143          1HD2      LEU 143 -11.815  -3.993  -3.891
 1129   2HD2  LEU 143          2HD2      LEU 143 -12.215  -5.603  -3.292
 1130   3HD2  LEU 143          3HD2      LEU 143 -11.603  -5.400  -4.934
 1131    H    ARG 144           H        ARG 144 -12.609  -4.745  -2.025
 1132    HA   ARG 144           HA       ARG 144 -13.530  -3.895   0.422
 1133   1HB   ARG 144          2HB       ARG 144 -13.718  -2.594  -1.634
 1134   2HB   ARG 144          1HB       ARG 144 -14.996  -3.672  -2.190
 1135   1HG   ARG 144          2HG       ARG 144 -16.313  -3.043  -0.175
 1136   2HG   ARG 144          1HG       ARG 144 -15.072  -1.848   0.200
 1137   1HD   ARG 144          2HD       ARG 144 -16.839  -0.722  -0.934
 1138   2HD   ARG 144          1HD       ARG 144 -15.478  -0.837  -2.048
 1139    HE   ARG 144           HE       ARG 144 -17.119  -3.039  -2.499
 1140   1HH1  ARG 144          1HH1      ARG 144 -17.263   0.430  -2.778
 1141   2HH1  ARG 144          2HH1      ARG 144 -18.406   0.408  -4.080
 1142   1HH2  ARG 144          1HH2      ARG 144 -18.628  -3.077  -4.211
 1143   2HH2  ARG 144          2HH2      ARG 144 -19.182  -1.584  -4.894
 1144    H    GLN 145           H        GLN 145 -14.661  -6.736  -1.283
 1145    HA   GLN 145           HA       GLN 145 -17.258  -6.790  -0.131
 1146   1HB   GLN 145          2HB       GLN 145 -15.813  -9.373  -0.409
 1147   2HB   GLN 145          1HB       GLN 145 -17.440  -8.935  -0.916
 1148   1HG   GLN 145          2HG       GLN 145 -14.898  -8.113  -2.259
 1149   2HG   GLN 145          1HG       GLN 145 -15.993  -9.391  -2.810
 1150   1HE2  GLN 145          1HE2      GLN 145 -15.219  -6.145  -2.930
 1151   2HE2  GLN 145          2HE2      GLN 145 -16.621  -5.572  -3.746
 1152    H    ILE 146           H        ILE 146 -14.159  -8.049   0.828
 1153    HA   ILE 146           HA       ILE 146 -14.956  -9.198   3.278
 1154    HB   ILE 146           HB       ILE 146 -12.199  -8.229   3.191
 1155   1HG1  ILE 146          2HG1      ILE 146 -12.992 -10.266   1.118
 1156   2HG1  ILE 146          1HG1      ILE 146 -12.778  -8.560   0.738
 1157   1HG2  ILE 146          1HG2      ILE 146 -13.113  -9.956   4.722
 1158   2HG2  ILE 146          2HG2      ILE 146 -11.714 -10.502   3.799
 1159   3HG2  ILE 146          3HG2      ILE 146 -13.335 -11.015   3.329
 1160   1HD1  ILE 146          1HD1      ILE 146 -10.711  -9.286   0.234
 1161   2HD1  ILE 146          2HD1      ILE 146 -10.774 -10.621   1.385
 1162   3HD1  ILE 146          3HD1      ILE 146 -10.467  -8.979   1.953
 1163    H    LEU 147           H        LEU 147 -13.899  -5.954   2.322
 1164    HA   LEU 147           HA       LEU 147 -13.625  -5.147   5.107
 1165   1HB   LEU 147          2HB       LEU 147 -12.560  -3.275   4.362
 1166   2HB   LEU 147          1HB       LEU 147 -12.228  -4.372   3.036
 1167    HG   LEU 147           HG       LEU 147 -14.377  -3.304   1.986
 1168   1HD1  LEU 147          1HD1      LEU 147 -13.558  -0.799   3.247
 1169   2HD1  LEU 147          2HD1      LEU 147 -14.383  -1.918   4.332
 1170   3HD1  LEU 147          3HD1      LEU 147 -15.169  -1.392   2.844
 1171   1HD2  LEU 147          1HD2      LEU 147 -12.913  -1.420   1.118
 1172   2HD2  LEU 147          2HD2      LEU 147 -12.352  -3.071   0.865
 1173   3HD2  LEU 147          3HD2      LEU 147 -11.651  -2.088   2.148
 1174    H    HIS 148           H        HIS 148 -15.661  -4.178   2.367
 1175    HA   HIS 148           HA       HIS 148 -17.237  -2.301   3.626
 1176   1HB   HIS 148          2HB       HIS 148 -17.211  -2.877   1.175
 1177   2HB   HIS 148          1HB       HIS 148 -18.220  -4.266   1.550
 1178    HD1  HIS 148           1HD      HIS 148 -19.709  -2.786  -0.284
 1179    HD2  HIS 148           2HD      HIS 148 -19.509  -1.421   3.635
 1180    HE1  HIS 148           1HE      HIS 148 -21.662  -1.225  -0.015
 1181    HE2  HIS 148           2HE      HIS 148 -21.557  -0.461   2.382
 1182    H    THR 149           H        THR 149 -17.221  -5.730   3.960
 1183    HA   THR 149           HA       THR 149 -19.744  -5.629   5.452
 1184    HB   THR 149           HB       THR 149 -19.911  -7.998   5.112
 1185    HG1  THR 149           1HG      THR 149 -17.212  -7.751   4.460
 1186   1HG2  THR 149          1HG2      THR 149 -18.834  -6.988   2.493
 1187   2HG2  THR 149          2HG2      THR 149 -20.406  -6.500   3.128
 1188   3HG2  THR 149          3HG2      THR 149 -20.088  -8.197   2.777
 1189    H    ARG 150           H        ARG 150 -16.300  -6.343   5.801
 1190    HA   ARG 150           HA       ARG 150 -16.845  -7.004   8.622
 1191   1HB   ARG 150          2HB       ARG 150 -14.467  -7.864   6.986
 1192   2HB   ARG 150          1HB       ARG 150 -14.830  -8.345   8.639
 1193   1HG   ARG 150          2HG       ARG 150 -16.475  -9.001   6.203
 1194   2HG   ARG 150          1HG       ARG 150 -15.406 -10.104   7.068
 1195   1HD   ARG 150          2HD       ARG 150 -17.844  -8.758   8.230
 1196   2HD   ARG 150          1HD       ARG 150 -17.772 -10.426   7.664
 1197    HE   ARG 150           HE       ARG 150 -16.958  -9.485  10.190
 1198   1HH1  ARG 150          1HH1      ARG 150 -15.966 -11.690   7.677
 1199   2HH1  ARG 150          2HH1      ARG 150 -15.104 -12.734   8.759
 1200   1HH2  ARG 150          1HH2      ARG 150 -15.826 -10.854  11.616
 1201   2HH2  ARG 150          2HH2      ARG 150 -15.026 -12.259  10.995
 1202    H    ALA 151           H        ALA 151 -15.970  -4.264   7.168
 1203    HA   ALA 151           HA       ALA 151 -14.180  -3.593   9.372
 1204   1HB   ALA 151          1HB       ALA 151 -13.499  -3.295   6.466
 1205   2HB   ALA 151          2HB       ALA 151 -12.543  -4.019   7.757
 1206   3HB   ALA 151          3HB       ALA 151 -12.765  -2.271   7.698
 1207    H    PHE 152           H        PHE 152 -14.667  -1.651   6.514
 1208    HA   PHE 152           HA       PHE 152 -16.538   0.044   8.016
 1209   1HB   PHE 152          2HB       PHE 152 -14.094   0.829   6.453
 1210   2HB   PHE 152          1HB       PHE 152 -15.414   1.950   6.730
 1211    HD1  PHE 152           1HD      PHE 152 -15.064   3.445   8.446
 1212    HD2  PHE 152           2HD      PHE 152 -13.445  -0.479   8.751
 1213    HE1  PHE 152           1HE      PHE 152 -14.095   4.019  10.633
 1214    HE2  PHE 152           2HE      PHE 152 -12.473   0.086  10.939
 1215    HZ   PHE 152           HZ       PHE 152 -12.818   2.378  11.881
 1216    H    ASP 153           H        ASP 153 -16.829   1.951   5.944
 1217    HA   ASP 153           HA       ASP 153 -18.430   0.360   4.084
 1218   1HB   ASP 153          2HB       ASP 153 -19.476   2.252   5.391
 1219   2HB   ASP 153          1HB       ASP 153 -18.470   3.363   4.468
 1220    H    LYS 154           H        LYS 154 -16.216   3.167   4.037
 1221    HA   LYS 154           HA       LYS 154 -14.560   2.241   2.026
 1222   1HB   LYS 154          2HB       LYS 154 -15.291   3.164   0.005
 1223   2HB   LYS 154          1HB       LYS 154 -16.741   2.459   0.699
 1224   1HG   LYS 154          2HG       LYS 154 -15.988   5.374   0.735
 1225   2HG   LYS 154          1HG       LYS 154 -17.205   4.616  -0.289
 1226   1HD   LYS 154          2HD       LYS 154 -18.498   4.004   1.693
 1227   2HD   LYS 154          1HD       LYS 154 -17.270   4.741   2.726
 1228   1HE   LYS 154          2HE       LYS 154 -19.181   6.233   2.412
 1229   2HE   LYS 154          1HE       LYS 154 -17.711   6.916   1.716
 1230   1HZ   LYS 154          1HZ       LYS 154 -18.442   6.203  -0.466
 1231   2HZ   LYS 154          2HZ       LYS 154 -19.616   7.190   0.249
 1232   3HZ   LYS 154          3HZ       LYS 154 -19.842   5.516   0.193
 1233    H    LEU 155           H        LEU 155 -14.963   4.096   4.445
 1234    HA   LEU 155           HA       LEU 155 -14.112   6.056   5.273
 1235   1HB   LEU 155          2HB       LEU 155 -11.966   5.478   3.231
 1236   2HB   LEU 155          1HB       LEU 155 -11.796   6.505   4.639
 1237    HG   LEU 155           HG       LEU 155 -12.162   3.502   4.623
 1238   1HD1  LEU 155          1HD1      LEU 155  -9.937   3.809   5.938
 1239   2HD1  LEU 155          2HD1      LEU 155  -9.878   5.360   5.100
 1240   3HD1  LEU 155          3HD1      LEU 155  -9.938   3.860   4.175
 1241   1HD2  LEU 155          1HD2      LEU 155 -13.385   4.285   6.500
 1242   2HD2  LEU 155          2HD2      LEU 155 -12.144   5.474   6.901
 1243   3HD2  LEU 155          3HD2      LEU 155 -11.816   3.752   7.109
 1244    H    ASN 156           H        ASN 156 -12.490   8.063   3.983
 1245    HA   ASN 156           HA       ASN 156 -14.374   9.081   1.973
 1246   1HB   ASN 156          2HB       ASN 156 -13.968  11.375   2.880
 1247   2HB   ASN 156          1HB       ASN 156 -14.841  10.311   3.972
 1248   1HD2  ASN 156          1HD2      ASN 156 -11.694   9.299   4.002
 1249   2HD2  ASN 156          2HD2      ASN 156 -11.130  10.199   5.360
 1250    H    LYS 157           H        LYS 157 -13.397   9.266   0.071
 1251    HA   LYS 157           HA       LYS 157 -10.612   9.150  -0.273
 1252   1HB   LYS 157          2HB       LYS 157 -12.759  10.128  -2.160
 1253   2HB   LYS 157          1HB       LYS 157 -11.077   9.892  -2.614
 1254   1HG   LYS 157          2HG       LYS 157 -12.971   7.764  -1.642
 1255   2HG   LYS 157          1HG       LYS 157 -12.414   7.997  -3.301
 1256   1HD   LYS 157          2HD       LYS 157 -10.120   7.543  -2.609
 1257   2HD   LYS 157          1HD       LYS 157 -10.650   7.356  -0.937
 1258   1HE   LYS 157          2HE       LYS 157 -12.114   5.486  -1.686
 1259   2HE   LYS 157          1HE       LYS 157 -11.388   5.622  -3.286
 1260   1HZ   LYS 157          1HZ       LYS 157 -10.120   3.994  -2.317
 1261   2HZ   LYS 157          2HZ       LYS 157 -10.176   4.689  -0.775
 1262   3HZ   LYS 157          3HZ       LYS 157  -9.189   5.366  -1.974
 1263    H    TRP 158           H        TRP 158  -9.639  10.637   1.013
 1264    HA   TRP 158           HA       TRP 158  -8.888  12.631   1.765
 1265   1HB   TRP 158          2HB       TRP 158  -7.703  12.475  -0.371
 1266   2HB   TRP 158          1HB       TRP 158  -9.063  13.221  -1.203
 1267    HD1  TRP 158           HD       TRP 158  -7.038  14.342   1.928
 1268    HE1  TRP 158           1HE      TRP 158  -6.320  16.785   1.562
 1269    HE3  TRP 158           3HE      TRP 158  -8.994  15.073  -2.739
 1270    HZ2  TRP 158           2HZ      TRP 158  -6.551  18.761  -0.439
 1271    HZ3  TRP 158           3HZ      TRP 158  -8.702  17.270  -3.807
 1272    HH2  TRP 158           HH       TRP 158  -7.505  19.075  -2.679
  Start of MODEL   20
    1   1H    THR   1          1HT       THR   1   2.660  -7.908 -15.285
    2   2H    THR   1          2HT       THR   1   1.172  -8.331 -15.969
    3   3H    THR   1          3HT       THR   1   2.459  -9.427 -16.005
    4    HA   THR   1           HA       THR   1   0.725  -9.923 -14.309
    5    HB   THR   1           HB       THR   1   3.550  -9.365 -13.374
    6    HG1  THR   1           1HG      THR   1   4.004 -11.373 -14.135
    7   1HG2  THR   1          1HG2      THR   1   1.548 -10.114 -11.729
    8   2HG2  THR   1          2HG2      THR   1   3.235 -10.590 -11.526
    9   3HG2  THR   1          3HG2      THR   1   2.099 -11.684 -12.315
   10    H    VAL   2           H        VAL   2  -0.802  -8.387 -13.782
   11    HA   VAL   2           HA       VAL   2  -0.240  -5.943 -12.472
   12    HB   VAL   2           HB       VAL   2  -2.797  -7.565 -12.400
   13   1HG1  VAL   2          1HG1      VAL   2  -2.294  -5.600 -10.717
   14   2HG1  VAL   2          2HG1      VAL   2  -3.878  -5.773 -11.475
   15   3HG1  VAL   2          3HG1      VAL   2  -2.720  -4.604 -12.109
   16   1HG2  VAL   2          1HG2      VAL   2  -3.507  -5.916 -14.175
   17   2HG2  VAL   2          2HG2      VAL   2  -2.307  -7.109 -14.674
   18   3HG2  VAL   2          3HG2      VAL   2  -1.809  -5.456 -14.308
   19    H    ALA   3           H        ALA   3   0.802  -5.902 -10.605
   20    HA   ALA   3           HA       ALA   3   0.120  -7.935  -8.613
   21   1HB   ALA   3          1HB       ALA   3   2.528  -6.522  -7.988
   22   2HB   ALA   3          2HB       ALA   3   2.588  -7.153  -9.633
   23   3HB   ALA   3          3HB       ALA   3   2.274  -8.241  -8.281
   24    H    TYR   4           H        TYR   4   0.201  -7.476  -6.493
   25    HA   TYR   4           HA       TYR   4  -1.324  -5.279  -5.580
   26   1HB   TYR   4          2HB       TYR   4  -0.669  -6.344  -3.359
   27   2HB   TYR   4          1HB       TYR   4  -1.503  -7.368  -4.521
   28    HD1  TYR   4           1HD      TYR   4   1.728  -6.936  -5.744
   29    HD2  TYR   4           2HD      TYR   4  -0.349  -9.048  -2.714
   30    HE1  TYR   4           1HE      TYR   4   3.598  -8.515  -5.566
   31    HE2  TYR   4           2HE      TYR   4   1.501 -10.635  -2.537
   32    HH   TYR   4           HH       TYR   4   4.494 -10.040  -3.667
   33    H    ILE   5           H        ILE   5  -0.720  -3.399  -4.537
   34    HA   ILE   5           HA       ILE   5   1.936  -3.202  -3.402
   35    HB   ILE   5           HB       ILE   5   1.175  -1.036  -5.338
   36   1HG1  ILE   5          2HG1      ILE   5   2.902  -3.465  -5.874
   37   2HG1  ILE   5          1HG1      ILE   5   1.327  -3.162  -6.590
   38   1HG2  ILE   5          1HG2      ILE   5   2.921  -0.090  -4.333
   39   2HG2  ILE   5          2HG2      ILE   5   3.933  -1.319  -5.091
   40   3HG2  ILE   5          3HG2      ILE   5   3.304  -1.575  -3.463
   41   1HD1  ILE   5          1HD1      ILE   5   2.887  -0.885  -7.116
   42   2HD1  ILE   5          2HD1      ILE   5   2.329  -2.110  -8.254
   43   3HD1  ILE   5          3HD1      ILE   5   3.896  -2.288  -7.463
   44    H    ALA   6           H        ALA   6   1.333  -2.706  -1.426
   45    HA   ALA   6           HA       ALA   6  -0.771  -0.771  -0.908
   46   1HB   ALA   6          1HB       ALA   6   0.721  -2.784   0.685
   47   2HB   ALA   6          2HB       ALA   6  -1.008  -2.442   0.627
   48   3HB   ALA   6          3HB       ALA   6   0.070  -1.383   1.538
   49    H    ILE   7           H        ILE   7  -0.281   1.350  -0.856
   50    HA   ILE   7           HA       ILE   7   2.357   2.097   0.229
   51    HB   ILE   7           HB       ILE   7   2.318   4.099  -1.216
   52   1HG1  ILE   7          2HG1      ILE   7  -0.046   2.756  -2.547
   53   2HG1  ILE   7          1HG1      ILE   7  -0.135   4.202  -1.548
   54   1HG2  ILE   7          1HG2      ILE   7   3.536   2.071  -1.867
   55   2HG2  ILE   7          2HG2      ILE   7   2.940   2.965  -3.268
   56   3HG2  ILE   7          3HG2      ILE   7   2.108   1.504  -2.733
   57   1HD1  ILE   7          1HD1      ILE   7   1.652   4.172  -3.932
   58   2HD1  ILE   7          2HD1      ILE   7   0.839   5.527  -3.150
   59   3HD1  ILE   7          3HD1      ILE   7  -0.086   4.397  -4.136
   60    H    GLY   8           H        GLY   8   2.305   3.304   1.995
   61   1HA   GLY   8          2HA       GLY   8  -0.133   4.885   2.510
   62   2HA   GLY   8          1HA       GLY   8   0.618   3.914   3.766
   63    H    SER   9           H        SER   9   0.093   6.712   3.873
   64    HA   SER   9           HA       SER   9   2.764   7.606   4.534
   65   1HB   SER   9          2HB       SER   9   2.656   8.363   2.257
   66   2HB   SER   9          1HB       SER   9   1.055   9.049   2.509
   67    HG   SER   9           HG       SER   9   2.306  10.301   4.251
   68    H    ASN  10           H        ASN  10   2.830   9.164   6.101
   69    HA   ASN  10           HA       ASN  10   0.456  10.519   7.012
   70   1HB   ASN  10          2HB       ASN  10   1.718   8.338   8.689
   71   2HB   ASN  10          1HB       ASN  10   0.599   9.540   9.322
   72   1HD2  ASN  10          1HD2      ASN  10   0.816   6.471   8.279
   73   2HD2  ASN  10          2HD2      ASN  10  -0.810   6.209   7.759
   74    H    LEU  11           H        LEU  11   1.679  12.381   6.705
   75    HA   LEU  11           HA       LEU  11   3.160  13.335   8.889
   76   1HB   LEU  11          2HB       LEU  11   4.843  11.739   7.969
   77   2HB   LEU  11          1HB       LEU  11   4.835  12.639   6.469
   78    HG   LEU  11           HG       LEU  11   6.776  13.053   8.042
   79   1HD1  LEU  11          1HD1      LEU  11   6.028  15.733   7.832
   80   2HD1  LEU  11          2HD1      LEU  11   5.230  14.913   6.489
   81   3HD1  LEU  11          3HD1      LEU  11   6.979  14.789   6.684
   82   1HD2  LEU  11          1HD2      LEU  11   5.507  13.117  10.125
   83   2HD2  LEU  11          2HD2      LEU  11   4.676  14.574   9.579
   84   3HD2  LEU  11          3HD2      LEU  11   6.412  14.611   9.882
   85    H    ALA  12           H        ALA  12   3.692  15.572   8.643
   86    HA   ALA  12           HA       ALA  12   2.052  17.249   7.397
   87   1HB   ALA  12          1HB       ALA  12   3.457  18.790   8.168
   88   2HB   ALA  12          2HB       ALA  12   4.667  18.347   6.963
   89   3HB   ALA  12          3HB       ALA  12   4.617  17.505   8.511
   90    H    SER  13           H        SER  13   1.243  17.200   5.408
   91    HA   SER  13           HA       SER  13   1.072  17.161   3.139
   92   1HB   SER  13          2HB       SER  13   2.690  19.016   3.172
   93   2HB   SER  13          1HB       SER  13   4.023  17.862   3.226
   94    HG   SER  13           HG       SER  13   3.038  17.042   1.181
   95    HA   PRO  14           HA       PRO  14   2.828  12.810   3.503
   96   1HB   PRO  14          2HB       PRO  14   0.048  12.212   2.661
   97   2HB   PRO  14          1HB       PRO  14   1.023  11.473   3.935
   98   1HG   PRO  14          2HG       PRO  14  -0.978  13.129   4.536
   99   2HG   PRO  14          1HG       PRO  14   0.535  13.146   5.463
  100   1HD   PRO  14          2HD       PRO  14  -0.407  15.031   3.336
  101   2HD   PRO  14          1HD       PRO  14   0.444  15.381   4.856
  102    H    LEU  15           H        LEU  15   1.187  14.672   1.109
  103    HA   LEU  15           HA       LEU  15   1.180  12.943  -1.067
  104   1HB   LEU  15          2HB       LEU  15   0.076  15.128  -1.056
  105   2HB   LEU  15          1HB       LEU  15   1.637  15.925  -1.032
  106    HG   LEU  15           HG       LEU  15   2.132  14.963  -3.263
  107   1HD1  LEU  15          1HD1      LEU  15   0.912  13.323  -4.118
  108   2HD1  LEU  15          2HD1      LEU  15  -0.532  14.332  -4.057
  109   3HD1  LEU  15          3HD1      LEU  15  -0.094  13.335  -2.670
  110   1HD2  LEU  15          1HD2      LEU  15   0.088  16.937  -2.633
  111   2HD2  LEU  15          2HD2      LEU  15  -0.091  16.247  -4.245
  112   3HD2  LEU  15          3HD2      LEU  15   1.426  17.016  -3.779
  113    H    GLU  16           H        GLU  16   3.805  14.734   0.385
  114    HA   GLU  16           HA       GLU  16   5.618  14.405  -1.802
  115   1HB   GLU  16          2HB       GLU  16   6.147  15.106   1.088
  116   2HB   GLU  16          1HB       GLU  16   7.324  15.217  -0.212
  117   1HG   GLU  16          2HG       GLU  16   5.925  16.881  -1.332
  118   2HG   GLU  16          1HG       GLU  16   4.762  16.780  -0.011
  119    H    GLN  17           H        GLN  17   5.167  12.734   1.310
  120    HA   GLN  17           HA       GLN  17   7.388  10.997   0.954
  121   1HB   GLN  17          2HB       GLN  17   4.996  10.376   2.673
  122   2HB   GLN  17          1HB       GLN  17   6.672   9.917   2.919
  123   1HG   GLN  17          2HG       GLN  17   5.630  12.732   3.073
  124   2HG   GLN  17          1HG       GLN  17   5.896  11.677   4.458
  125   1HE2  GLN  17          1HE2      GLN  17   8.280  10.844   2.420
  126   2HE2  GLN  17          2HE2      GLN  17   9.518  11.933   2.931
  127    H    VAL  18           H        VAL  18   3.885  10.518   0.551
  128    HA   VAL  18           HA       VAL  18   3.880   7.876  -0.259
  129    HB   VAL  18           HB       VAL  18   1.813   9.153   0.126
  130   1HG1  VAL  18          1HG1      VAL  18   1.128  10.932  -1.090
  131   2HG1  VAL  18          2HG1      VAL  18   1.824  10.317  -2.588
  132   3HG1  VAL  18          3HG1      VAL  18   2.858  11.098  -1.392
  133   1HG2  VAL  18          1HG2      VAL  18   2.106   7.795  -2.543
  134   2HG2  VAL  18          2HG2      VAL  18   0.547   8.309  -1.894
  135   3HG2  VAL  18          3HG2      VAL  18   1.513   7.113  -1.028
  136    H    ASN  19           H        ASN  19   4.556  10.785  -2.149
  137    HA   ASN  19           HA       ASN  19   4.718   9.559  -4.678
  138   1HB   ASN  19          2HB       ASN  19   5.971  12.077  -3.581
  139   2HB   ASN  19          1HB       ASN  19   6.138  11.579  -5.260
  140   1HD2  ASN  19          1HD2      ASN  19   3.180  10.525  -4.289
  141   2HD2  ASN  19          2HD2      ASN  19   2.219  11.867  -4.792
  142    H    ALA  20           H        ALA  20   7.025   9.928  -2.054
  143    HA   ALA  20           HA       ALA  20   9.416   9.366  -3.314
  144   1HB   ALA  20          1HB       ALA  20  10.217   9.289  -1.232
  145   2HB   ALA  20          2HB       ALA  20   9.196   7.914  -0.812
  146   3HB   ALA  20          3HB       ALA  20   8.563   9.555  -0.683
  147    H    ALA  21           H        ALA  21   7.076   7.053  -1.968
  148    HA   ALA  21           HA       ALA  21   8.444   4.739  -2.922
  149   1HB   ALA  21          1HB       ALA  21   5.753   5.280  -1.782
  150   2HB   ALA  21          2HB       ALA  21   6.971   4.100  -1.298
  151   3HB   ALA  21          3HB       ALA  21   5.961   3.795  -2.711
  152    H    LEU  22           H        LEU  22   5.923   6.830  -4.176
  153    HA   LEU  22           HA       LEU  22   5.203   5.337  -6.451
  154   1HB   LEU  22          2HB       LEU  22   5.120   8.306  -5.903
  155   2HB   LEU  22          1HB       LEU  22   4.392   7.561  -7.307
  156    HG   LEU  22           HG       LEU  22   3.613   7.036  -4.440
  157   1HD1  LEU  22          1HD1      LEU  22   1.671   8.307  -4.849
  158   2HD1  LEU  22          2HD1      LEU  22   1.998   8.395  -6.580
  159   3HD1  LEU  22          3HD1      LEU  22   3.016   9.280  -5.445
  160   1HD2  LEU  22          1HD2      LEU  22   3.009   5.667  -6.963
  161   2HD2  LEU  22          2HD2      LEU  22   1.595   6.083  -5.995
  162   3HD2  LEU  22          3HD2      LEU  22   2.880   5.095  -5.301
  163    H    LYS  23           H        LYS  23   8.003   7.024  -5.643
  164    HA   LYS  23           HA       LYS  23   8.858   7.667  -8.321
  165   1HB   LYS  23          2HB       LYS  23   9.590   9.113  -6.568
  166   2HB   LYS  23          1HB       LYS  23  10.184   7.767  -5.614
  167   1HG   LYS  23          2HG       LYS  23  11.900   7.367  -7.368
  168   2HG   LYS  23          1HG       LYS  23  11.357   8.849  -8.160
  169   1HD   LYS  23          2HD       LYS  23  12.190   8.804  -5.274
  170   2HD   LYS  23          1HD       LYS  23  13.367   9.016  -6.575
  171   1HE   LYS  23          2HE       LYS  23  12.730  11.179  -5.755
  172   2HE   LYS  23          1HE       LYS  23  12.050  10.971  -7.367
  173   1HZ   LYS  23          1HZ       LYS  23  10.534  10.513  -4.858
  174   2HZ   LYS  23          2HZ       LYS  23   9.914  10.539  -6.432
  175   3HZ   LYS  23          3HZ       LYS  23  10.502  11.961  -5.731
  176    H    ALA  24           H        ALA  24   9.589   5.233  -5.852
  177    HA   ALA  24           HA       ALA  24  11.477   3.855  -7.563
  178   1HB   ALA  24          1HB       ALA  24  10.846   3.878  -4.772
  179   2HB   ALA  24          2HB       ALA  24  12.232   3.156  -5.588
  180   3HB   ALA  24          3HB       ALA  24  10.752   2.222  -5.374
  181    H    LEU  25           H        LEU  25   8.112   3.823  -6.943
  182    HA   LEU  25           HA       LEU  25   7.707   1.118  -7.900
  183   1HB   LEU  25          2HB       LEU  25   6.280   2.128  -6.120
  184   2HB   LEU  25          1HB       LEU  25   5.670   3.266  -7.306
  185    HG   LEU  25           HG       LEU  25   5.366   0.293  -7.671
  186   1HD1  LEU  25          1HD1      LEU  25   4.344   0.757  -5.561
  187   2HD1  LEU  25          2HD1      LEU  25   3.059   0.645  -6.763
  188   3HD1  LEU  25          3HD1      LEU  25   3.591   2.223  -6.185
  189   1HD2  LEU  25          1HD2      LEU  25   4.977   1.571  -9.657
  190   2HD2  LEU  25          2HD2      LEU  25   3.954   2.711  -8.780
  191   3HD2  LEU  25          3HD2      LEU  25   3.419   1.048  -9.019
  192    H    GLY  26           H        GLY  26   7.152   4.441  -9.010
  193   1HA   GLY  26          2HA       GLY  26   5.859   3.936 -11.411
  194   2HA   GLY  26          1HA       GLY  26   6.958   5.287 -11.143
  195    H    ASP  27           H        ASP  27   9.289   3.813 -10.624
  196    HA   ASP  27           HA       ASP  27   9.731   2.338 -13.124
  197   1HB   ASP  27          2HB       ASP  27  10.578   4.614 -13.433
  198   2HB   ASP  27          1HB       ASP  27  11.559   4.460 -11.979
  199    H    ILE  28           H        ILE  28   9.925   0.365 -12.284
  200    HA   ILE  28           HA       ILE  28  11.882  -0.081 -10.125
  201    HB   ILE  28           HB       ILE  28   9.838  -2.139 -10.880
  202   1HG1  ILE  28          2HG1      ILE  28   9.318   0.358  -9.257
  203   2HG1  ILE  28          1HG1      ILE  28   8.470  -0.167 -10.705
  204   1HG2  ILE  28          1HG2      ILE  28  11.415  -2.827  -9.241
  205   2HG2  ILE  28          2HG2      ILE  28   9.907  -2.505  -8.387
  206   3HG2  ILE  28          3HG2      ILE  28  11.221  -1.329  -8.330
  207   1HD1  ILE  28          1HD1      ILE  28   6.979  -0.707  -9.050
  208   2HD1  ILE  28          2HD1      ILE  28   8.244  -1.167  -7.910
  209   3HD1  ILE  28          3HD1      ILE  28   7.842  -2.230  -9.258
  210    HA   PRO  29           HA       PRO  29  14.880  -2.262 -12.563
  211   1HB   PRO  29          2HB       PRO  29  13.789  -4.661 -11.118
  212   2HB   PRO  29          1HB       PRO  29  15.462  -4.290 -11.552
  213   1HG   PRO  29          2HG       PRO  29  14.532  -3.766  -9.102
  214   2HG   PRO  29          1HG       PRO  29  15.679  -2.678  -9.905
  215   1HD   PRO  29          2HD       PRO  29  12.843  -2.262  -9.278
  216   2HD   PRO  29          1HD       PRO  29  14.086  -1.068  -9.708
  217    H    GLU  30           H        GLU  30  11.730  -3.967 -12.306
  218    HA   GLU  30           HA       GLU  30  11.796  -4.296 -15.215
  219   1HB   GLU  30          2HB       GLU  30  11.293  -6.565 -13.285
  220   2HB   GLU  30          1HB       GLU  30  11.063  -6.653 -15.026
  221   1HG   GLU  30          2HG       GLU  30  13.443  -6.231 -15.365
  222   2HG   GLU  30          1HG       GLU  30  13.674  -6.138 -13.618
  223    H    SER  31           H        SER  31  10.032  -3.818 -12.314
  224    HA   SER  31           HA       SER  31   7.443  -4.524 -13.166
  225   1HB   SER  31          2HB       SER  31   8.164  -2.331 -11.218
  226   2HB   SER  31          1HB       SER  31   6.638  -3.211 -11.310
  227    HG   SER  31           HG       SER  31   8.598  -4.985 -11.081
  228    H    HIS  32           H        HIS  32   5.695  -2.557 -13.054
  229    HA   HIS  32           HA       HIS  32   6.430  -0.190 -14.455
  230   1HB   HIS  32          2HB       HIS  32   6.602  -1.624 -16.366
  231   2HB   HIS  32          1HB       HIS  32   5.037  -2.355 -16.033
  232    HD1  HIS  32           1HD      HIS  32   6.285   1.203 -16.628
  233    HD2  HIS  32           2HD      HIS  32   3.173  -1.338 -17.694
  234    HE1  HIS  32           1HE      HIS  32   4.833   2.536 -18.191
  235    HE2  HIS  32           2HE      HIS  32   2.906   1.011 -18.745
  236    H    ILE  33           H        ILE  33   5.131   1.282 -13.741
  237    HA   ILE  33           HA       ILE  33   2.930   0.951 -12.140
  238    HB   ILE  33           HB       ILE  33   4.347   3.095 -13.316
  239   1HG1  ILE  33          2HG1      ILE  33   3.935   2.638 -10.917
  240   2HG1  ILE  33          1HG1      ILE  33   3.559   4.299 -11.367
  241   1HG2  ILE  33          1HG2      ILE  33   2.415   3.381 -14.821
  242   2HG2  ILE  33          2HG2      ILE  33   2.623   4.746 -13.724
  243   3HG2  ILE  33          3HG2      ILE  33   1.366   3.549 -13.414
  244   1HD1  ILE  33          1HD1      ILE  33   1.140   3.444 -11.596
  245   2HD1  ILE  33          2HD1      ILE  33   1.805   3.691  -9.981
  246   3HD1  ILE  33          3HD1      ILE  33   1.707   2.064 -10.657
  247    H    LEU  34           H        LEU  34   0.708   1.269 -12.384
  248    HA   LEU  34           HA       LEU  34  -0.454   1.307 -15.047
  249   1HB   LEU  34          2HB       LEU  34  -0.871  -0.960 -13.107
  250   2HB   LEU  34          1HB       LEU  34  -1.961  -0.630 -14.438
  251    HG   LEU  34           HG       LEU  34   0.942  -1.427 -14.664
  252   1HD1  LEU  34          1HD1      LEU  34  -1.642  -2.856 -14.779
  253   2HD1  LEU  34          2HD1      LEU  34  -0.052  -3.421 -14.267
  254   3HD1  LEU  34          3HD1      LEU  34  -0.434  -3.300 -15.986
  255   1HD2  LEU  34          1HD2      LEU  34   0.345   0.123 -16.444
  256   2HD2  LEU  34          2HD2      LEU  34  -1.092  -0.832 -16.814
  257   3HD2  LEU  34          3HD2      LEU  34   0.513  -1.513 -17.081
  258    H    THR  35           H        THR  35  -1.785   0.286 -11.920
  259    HA   THR  35           HA       THR  35  -3.597   2.604 -12.020
  260    HB   THR  35           HB       THR  35  -5.106   1.184 -10.579
  261    HG1  THR  35           1HG      THR  35  -3.929  -1.134 -11.404
  262   1HG2  THR  35          1HG2      THR  35  -5.758   1.268 -12.825
  263   2HG2  THR  35          2HG2      THR  35  -5.714  -0.448 -12.420
  264   3HG2  THR  35          3HG2      THR  35  -4.398   0.274 -13.346
  265    H    VAL  36           H        VAL  36  -3.025   4.137 -10.652
  266    HA   VAL  36           HA       VAL  36  -2.433   3.428  -7.880
  267    HB   VAL  36           HB       VAL  36  -0.214   3.680  -8.740
  268   1HG1  VAL  36          1HG1      VAL  36  -1.454   5.772 -10.350
  269   2HG1  VAL  36          2HG1      VAL  36  -0.029   4.785 -10.676
  270   3HG1  VAL  36          3HG1      VAL  36   0.109   6.232  -9.677
  271   1HG2  VAL  36          1HG2      VAL  36   0.549   5.757  -7.555
  272   2HG2  VAL  36          2HG2      VAL  36  -0.473   4.690  -6.592
  273   3HG2  VAL  36          3HG2      VAL  36  -1.149   6.157  -7.299
  274    H    SER  37           H        SER  37  -4.061   4.404  -6.851
  275    HA   SER  37           HA       SER  37  -4.262   7.211  -6.735
  276   1HB   SER  37          2HB       SER  37  -6.469   7.529  -7.801
  277   2HB   SER  37          1HB       SER  37  -5.258   6.991  -8.964
  278    HG   SER  37           HG       SER  37  -7.093   5.275  -7.649
  279    H    SER  38           H        SER  38  -7.251   7.056  -6.363
  280    HA   SER  38           HA       SER  38  -8.691   6.814  -4.628
  281   1HB   SER  38          2HB       SER  38  -7.203   4.199  -4.253
  282   2HB   SER  38          1HB       SER  38  -8.767   4.593  -3.540
  283    HG   SER  38           HG       SER  38  -8.108   4.049  -6.208
  284    H    PHE  39           H        PHE  39  -7.086   8.627  -3.862
  285    HA   PHE  39           HA       PHE  39  -5.376   7.967  -1.670
  286   1HB   PHE  39          2HB       PHE  39  -6.507  10.633  -2.541
  287   2HB   PHE  39          1HB       PHE  39  -5.291  10.426  -1.288
  288    HD1  PHE  39           1HD      PHE  39  -5.839   9.293  -4.803
  289    HD2  PHE  39           2HD      PHE  39  -3.132  10.875  -1.924
  290    HE1  PHE  39           1HE      PHE  39  -4.072   9.369  -6.513
  291    HE2  PHE  39           2HE      PHE  39  -1.362  10.959  -3.630
  292    HZ   PHE  39           HZ       PHE  39  -1.820  10.251  -5.914
  293    H    TYR  40           H        TYR  40  -6.682   6.747  -0.333
  294    HA   TYR  40           HA       TYR  40  -9.076   7.884   0.812
  295   1HB   TYR  40          2HB       TYR  40  -9.093   5.739   2.120
  296   2HB   TYR  40          1HB       TYR  40  -9.091   5.528   0.370
  297    HD1  TYR  40           1HD      TYR  40  -7.103   4.707  -0.778
  298    HD2  TYR  40           2HD      TYR  40  -7.193   5.073   3.452
  299    HE1  TYR  40           1HE      TYR  40  -5.096   3.301  -0.624
  300    HE2  TYR  40           2HE      TYR  40  -5.189   3.663   3.617
  301    HH   TYR  40           HH       TYR  40  -4.143   1.728   1.872
  302    H    ARG  41           H        ARG  41  -9.404   8.235   3.035
  303    HA   ARG  41           HA       ARG  41  -7.116   9.422   4.355
  304   1HB   ARG  41          2HB       ARG  41  -9.362  10.527   4.248
  305   2HB   ARG  41          1HB       ARG  41  -9.997   9.247   5.271
  306   1HG   ARG  41          2HG       ARG  41  -8.458   9.915   7.052
  307   2HG   ARG  41          1HG       ARG  41  -7.835  11.203   6.018
  308   1HD   ARG  41          2HD       ARG  41  -9.460  12.098   7.578
  309   2HD   ARG  41          1HD       ARG  41 -10.075  12.202   5.929
  310    HE   ARG  41           HE       ARG  41 -10.981   9.809   7.064
  311   1HH1  ARG  41          1HH1      ARG  41 -11.408  13.248   7.419
  312   2HH1  ARG  41          2HH1      ARG  41 -13.026  13.116   8.022
  313   1HH2  ARG  41          1HH2      ARG  41 -13.110   9.623   7.855
  314   2HH2  ARG  41          2HH2      ARG  41 -13.994  11.053   8.270
  315    H    THR  42           H        THR  42  -5.907   8.397   5.862
  316    HA   THR  42           HA       THR  42  -7.170   6.057   7.203
  317    HB   THR  42           HB       THR  42  -4.268   6.363   6.403
  318    HG1  THR  42           1HG      THR  42  -6.459   5.218   5.206
  319   1HG2  THR  42          1HG2      THR  42  -3.764   4.347   7.347
  320   2HG2  THR  42          2HG2      THR  42  -5.439   3.796   7.333
  321   3HG2  THR  42          3HG2      THR  42  -4.910   4.981   8.527
  322    HA   PRO  43           HA       PRO  43  -6.293   8.964  10.600
  323   1HB   PRO  43          2HB       PRO  43  -7.845   7.546  12.388
  324   2HB   PRO  43          1HB       PRO  43  -8.437   8.846  11.349
  325   1HG   PRO  43          2HG       PRO  43  -8.619   5.886  10.983
  326   2HG   PRO  43          1HG       PRO  43  -9.820   7.139  10.619
  327   1HD   PRO  43          2HD       PRO  43  -8.332   5.985   8.694
  328   2HD   PRO  43          1HD       PRO  43  -8.817   7.690   8.609
  329    HA   PRO  44           HA       PRO  44  -2.935   6.569  12.244
  330   1HB   PRO  44          2HB       PRO  44  -3.071   8.539  14.463
  331   2HB   PRO  44          1HB       PRO  44  -1.702   8.089  13.442
  332   1HG   PRO  44          2HG       PRO  44  -2.935  10.421  13.099
  333   2HG   PRO  44          1HG       PRO  44  -2.371   9.477  11.705
  334   1HD   PRO  44          2HD       PRO  44  -5.137   9.753  12.811
  335   2HD   PRO  44          1HD       PRO  44  -4.605   9.717  11.116
  336    H    LEU  45           H        LEU  45  -4.714   7.996  14.958
  337    HA   LEU  45           HA       LEU  45  -5.410   7.078  16.937
  338   1HB   LEU  45          2HB       LEU  45  -6.777   5.475  14.798
  339   2HB   LEU  45          1HB       LEU  45  -7.144   5.235  16.494
  340    HG   LEU  45           HG       LEU  45  -7.894   7.554  16.688
  341   1HD1  LEU  45          1HD1      LEU  45  -7.185   7.725  13.765
  342   2HD1  LEU  45          2HD1      LEU  45  -6.486   8.653  15.092
  343   3HD1  LEU  45          3HD1      LEU  45  -8.167   8.910  14.625
  344   1HD2  LEU  45          1HD2      LEU  45  -9.953   7.132  15.853
  345   2HD2  LEU  45          2HD2      LEU  45  -9.266   5.526  15.612
  346   3HD2  LEU  45          3HD2      LEU  45  -9.337   6.664  14.267
  347    H    GLY  46           H        GLY  46  -3.347   6.306  17.666
  348   1HA   GLY  46          2HA       GLY  46  -3.038   4.115  18.971
  349   2HA   GLY  46          1HA       GLY  46  -2.948   3.407  17.365
  350    HA   PRO  47           HA       PRO  47   1.347   4.401  17.304
  351   1HB   PRO  47          2HB       PRO  47   1.897   4.692  14.715
  352   2HB   PRO  47          1HB       PRO  47   1.292   3.156  15.349
  353   1HG   PRO  47          2HG       PRO  47  -0.190   5.313  13.901
  354   2HG   PRO  47          1HG       PRO  47  -0.285   3.555  13.687
  355   1HD   PRO  47          2HD       PRO  47  -2.071   5.041  15.173
  356   2HD   PRO  47          1HD       PRO  47  -1.764   3.309  15.411
  357    H    GLN  48           H        GLN  48  -0.756   6.751  15.738
  358    HA   GLN  48           HA       GLN  48   1.188   8.851  16.429
  359   1HB   GLN  48          2HB       GLN  48  -0.464   8.756  13.902
  360   2HB   GLN  48          1HB       GLN  48   0.663  10.025  14.361
  361   1HG   GLN  48          2HG       GLN  48   2.525   8.590  14.092
  362   2HG   GLN  48          1HG       GLN  48   1.492   7.168  13.946
  363   1HE2  GLN  48          1HE2      GLN  48  -0.143   9.441  12.330
  364   2HE2  GLN  48          2HE2      GLN  48   0.488   9.212  10.742
  365    H    ASP  49           H        ASP  49   0.358  10.706  17.258
  366    HA   ASP  49           HA       ASP  49  -2.540  10.725  17.756
  367   1HB   ASP  49          2HB       ASP  49  -0.315  12.127  19.260
  368   2HB   ASP  49          1HB       ASP  49  -2.027  12.202  19.666
  369    H    GLN  50           H        GLN  50  -0.826  11.752  15.430
  370    HA   GLN  50           HA       GLN  50  -1.972  14.464  15.375
  371   1HB   GLN  50          2HB       GLN  50   0.586  13.698  13.975
  372   2HB   GLN  50          1HB       GLN  50  -0.059  15.311  14.247
  373   1HG   GLN  50          2HG       GLN  50   1.669  15.153  15.774
  374   2HG   GLN  50          1HG       GLN  50   0.239  14.798  16.736
  375   1HE2  GLN  50          1HE2      GLN  50   0.866  12.223  14.719
  376   2HE2  GLN  50          2HE2      GLN  50   1.752  11.231  15.819
  377    HA   PRO  51           HA       PRO  51  -4.229  12.613  11.937
  378   1HB   PRO  51          2HB       PRO  51  -4.651  15.529  11.430
  379   2HB   PRO  51          1HB       PRO  51  -5.823  14.204  11.419
  380   1HG   PRO  51          2HG       PRO  51  -5.722  15.845  13.489
  381   2HG   PRO  51          1HG       PRO  51  -5.917  14.098  13.748
  382   1HD   PRO  51          2HD       PRO  51  -3.482  15.807  14.083
  383   2HD   PRO  51          1HD       PRO  51  -4.043  14.438  15.067
  384    H    ASP  52           H        ASP  52  -3.454  12.027  10.043
  385    HA   ASP  52           HA       ASP  52  -2.221  13.798   8.192
  386   1HB   ASP  52          2HB       ASP  52  -0.010  12.573   8.136
  387   2HB   ASP  52          1HB       ASP  52  -0.258  13.609   9.537
  388    H    TYR  53           H        TYR  53  -4.120  11.470   8.839
  389    HA   TYR  53           HA       TYR  53  -3.755   9.164   7.512
  390   1HB   TYR  53          2HB       TYR  53  -6.316   9.654   6.906
  391   2HB   TYR  53          1HB       TYR  53  -5.783   9.310   8.544
  392    HD1  TYR  53           1HD      TYR  53  -7.071  10.564  10.034
  393    HD2  TYR  53           2HD      TYR  53  -5.655  12.407   6.469
  394    HE1  TYR  53           1HE      TYR  53  -8.006  12.712  10.778
  395    HE2  TYR  53           2HE      TYR  53  -6.586  14.558   7.206
  396    HH   TYR  53           HH       TYR  53  -7.269  15.388  10.064
  397    H    LEU  54           H        LEU  54  -2.594   9.161   5.536
  398    HA   LEU  54           HA       LEU  54  -4.183   9.848   3.225
  399   1HB   LEU  54          2HB       LEU  54  -3.001  11.967   3.764
  400   2HB   LEU  54          1HB       LEU  54  -1.474  11.135   3.572
  401    HG   LEU  54           HG       LEU  54  -2.217  12.571   1.628
  402   1HD1  LEU  54          1HD1      LEU  54  -0.528  10.712   1.505
  403   2HD1  LEU  54          2HD1      LEU  54  -1.331  11.115  -0.013
  404   3HD1  LEU  54          3HD1      LEU  54  -1.823   9.683   0.892
  405   1HD2  LEU  54          1HD2      LEU  54  -3.995  12.014   0.292
  406   2HD2  LEU  54          2HD2      LEU  54  -4.626  11.571   1.878
  407   3HD2  LEU  54          3HD2      LEU  54  -3.992  10.326   0.803
  408    H    ASN  55           H        ASN  55  -4.128   7.905   2.286
  409    HA   ASN  55           HA       ASN  55  -1.507   6.801   1.579
  410   1HB   ASN  55          2HB       ASN  55  -3.725   5.049   2.626
  411   2HB   ASN  55          1HB       ASN  55  -2.061   4.594   2.302
  412   1HD2  ASN  55          1HD2      ASN  55  -1.129   4.111   4.156
  413   2HD2  ASN  55          2HD2      ASN  55  -1.235   5.027   5.616
  414    H    ALA  56           H        ALA  56  -1.798   4.958  -0.059
  415    HA   ALA  56           HA       ALA  56  -4.193   5.159  -1.688
  416   1HB   ALA  56          1HB       ALA  56  -3.334   6.499  -3.232
  417   2HB   ALA  56          2HB       ALA  56  -2.038   5.338  -3.518
  418   3HB   ALA  56          3HB       ALA  56  -1.832   6.612  -2.315
  419    H    ALA  57           H        ALA  57  -3.562   3.782  -3.869
  420    HA   ALA  57           HA       ALA  57  -2.165   1.342  -3.038
  421   1HB   ALA  57          1HB       ALA  57  -3.947  -0.092  -3.750
  422   2HB   ALA  57          2HB       ALA  57  -4.903   1.291  -4.288
  423   3HB   ALA  57          3HB       ALA  57  -4.587   1.053  -2.570
  424    H    VAL  58           H        VAL  58  -1.345   0.088  -4.684
  425    HA   VAL  58           HA       VAL  58  -1.564   1.177  -7.385
  426    HB   VAL  58           HB       VAL  58   1.074   0.404  -6.149
  427   1HG1  VAL  58          1HG1      VAL  58   1.832   1.738  -8.249
  428   2HG1  VAL  58          2HG1      VAL  58   0.210   1.373  -8.839
  429   3HG1  VAL  58          3HG1      VAL  58   1.313   0.061  -8.419
  430   1HG2  VAL  58          1HG2      VAL  58  -0.076   2.554  -5.289
  431   2HG2  VAL  58          2HG2      VAL  58   0.328   3.206  -6.878
  432   3HG2  VAL  58          3HG2      VAL  58   1.608   2.633  -5.809
  433    H    ALA  59           H        ALA  59  -1.472  -0.249  -8.961
  434    HA   ALA  59           HA       ALA  59  -0.863  -3.056  -8.365
  435   1HB   ALA  59          1HB       ALA  59  -2.791  -3.222 -10.323
  436   2HB   ALA  59          2HB       ALA  59  -3.405  -1.937  -9.284
  437   3HB   ALA  59          3HB       ALA  59  -3.050  -3.525  -8.606
  438    H    LEU  60           H        LEU  60   1.133  -2.871  -9.329
  439    HA   LEU  60           HA       LEU  60   1.118  -2.107 -12.176
  440   1HB   LEU  60          2HB       LEU  60   2.801  -0.738 -11.744
  441   2HB   LEU  60          1HB       LEU  60   2.648  -1.130 -10.046
  442    HG   LEU  60           HG       LEU  60   4.428  -2.631 -11.976
  443   1HD1  LEU  60          1HD1      LEU  60   5.642  -0.968  -9.893
  444   2HD1  LEU  60          2HD1      LEU  60   4.808  -0.064 -11.158
  445   3HD1  LEU  60          3HD1      LEU  60   6.097  -1.189 -11.583
  446   1HD2  LEU  60          1HD2      LEU  60   5.033  -2.678  -9.119
  447   2HD2  LEU  60          2HD2      LEU  60   4.976  -3.997 -10.289
  448   3HD2  LEU  60          3HD2      LEU  60   3.491  -3.435  -9.525
  449    H    GLU  61           H        GLU  61   2.591  -3.177 -13.612
  450    HA   GLU  61           HA       GLU  61   2.600  -6.024 -13.209
  451   1HB   GLU  61          2HB       GLU  61   3.745  -4.363 -15.463
  452   2HB   GLU  61          1HB       GLU  61   3.587  -6.116 -15.468
  453   1HG   GLU  61          2HG       GLU  61   1.153  -5.873 -15.288
  454   2HG   GLU  61          1HG       GLU  61   1.340  -4.124 -15.353
  455    H    THR  62           H        THR  62   4.034  -6.470 -11.532
  456    HA   THR  62           HA       THR  62   6.781  -5.534 -11.818
  457    HB   THR  62           HB       THR  62   5.716  -5.382  -9.596
  458    HG1  THR  62           1HG      THR  62   7.476  -6.047  -8.547
  459   1HG2  THR  62          1HG2      THR  62   5.806  -8.374  -9.473
  460   2HG2  THR  62          2HG2      THR  62   4.336  -7.472  -9.841
  461   3HG2  THR  62          3HG2      THR  62   5.145  -7.246  -8.290
  462    H    SER  63           H        SER  63   8.378  -7.297 -10.962
  463    HA   SER  63           HA       SER  63   7.865  -9.953 -12.026
  464   1HB   SER  63          2HB       SER  63  10.096  -8.210 -13.119
  465   2HB   SER  63          1HB       SER  63   9.875  -9.922 -13.473
  466    HG   SER  63           HG       SER  63   7.588  -8.687 -13.983
  467    H    LEU  64           H        LEU  64   8.874  -7.956  -9.796
  468    HA   LEU  64           HA       LEU  64  10.930  -9.733  -8.697
  469   1HB   LEU  64          2HB       LEU  64  11.046  -7.197  -7.461
  470   2HB   LEU  64          1HB       LEU  64  12.242  -7.934  -8.513
  471    HG   LEU  64           HG       LEU  64   9.907  -6.345  -9.593
  472   1HD1  LEU  64          1HD1      LEU  64  12.679  -5.385  -8.856
  473   2HD1  LEU  64          2HD1      LEU  64  11.158  -4.882  -8.117
  474   3HD1  LEU  64          3HD1      LEU  64  11.503  -4.468  -9.797
  475   1HD2  LEU  64          1HD2      LEU  64  12.609  -6.834 -10.831
  476   2HD2  LEU  64          2HD2      LEU  64  11.119  -6.293 -11.606
  477   3HD2  LEU  64          3HD2      LEU  64  11.264  -7.956 -11.039
  478    H    ALA  65           H        ALA  65   9.592 -10.974  -7.428
  479    HA   ALA  65           HA       ALA  65   7.315 -10.473  -6.114
  480   1HB   ALA  65          1HB       ALA  65   7.738 -12.457  -5.215
  481   2HB   ALA  65          2HB       ALA  65   9.051 -11.788  -4.245
  482   3HB   ALA  65          3HB       ALA  65   9.367 -12.366  -5.881
  483    HA   PRO  66           HA       PRO  66   7.214  -7.133  -3.233
  484   1HB   PRO  66          2HB       PRO  66   6.926  -9.412  -1.296
  485   2HB   PRO  66          1HB       PRO  66   6.105  -7.843  -1.299
  486   1HG   PRO  66          2HG       PRO  66   4.941 -10.022  -2.316
  487   2HG   PRO  66          1HG       PRO  66   4.715  -8.413  -3.024
  488   1HD   PRO  66          2HD       PRO  66   6.152 -10.734  -4.114
  489   2HD   PRO  66          1HD       PRO  66   5.621  -9.258  -4.947
  490    H    GLU  67           H        GLU  67   9.101  -9.998  -2.345
  491    HA   GLU  67           HA       GLU  67  10.678  -9.004  -0.363
  492   1HB   GLU  67          2HB       GLU  67  11.661 -10.696  -2.671
  493   2HB   GLU  67          1HB       GLU  67  12.389 -10.588  -1.072
  494   1HG   GLU  67          2HG       GLU  67  10.419 -11.600  -0.081
  495   2HG   GLU  67          1HG       GLU  67   9.635 -11.656  -1.660
  496    H    GLU  68           H        GLU  68  11.413  -8.891  -3.834
  497    HA   GLU  68           HA       GLU  68  13.537  -6.999  -3.574
  498   1HB   GLU  68          2HB       GLU  68  11.967  -7.802  -6.028
  499   2HB   GLU  68          1HB       GLU  68  13.526  -6.997  -6.017
  500   1HG   GLU  68          2HG       GLU  68  12.968  -9.758  -4.965
  501   2HG   GLU  68          1HG       GLU  68  13.710  -9.383  -6.518
  502    H    LEU  69           H        LEU  69  10.337  -6.768  -5.136
  503    HA   LEU  69           HA       LEU  69  10.280  -4.126  -5.788
  504   1HB   LEU  69          2HB       LEU  69   8.481  -5.347  -6.538
  505   2HB   LEU  69          1HB       LEU  69   8.166  -6.057  -4.972
  506    HG   LEU  69           HG       LEU  69   7.353  -3.783  -4.220
  507   1HD1  LEU  69          1HD1      LEU  69   8.422  -3.012  -6.696
  508   2HD1  LEU  69          2HD1      LEU  69   7.555  -2.016  -5.526
  509   3HD1  LEU  69          3HD1      LEU  69   6.672  -2.826  -6.820
  510   1HD2  LEU  69          1HD2      LEU  69   5.316  -4.580  -4.616
  511   2HD2  LEU  69          2HD2      LEU  69   6.059  -5.813  -5.635
  512   3HD2  LEU  69          3HD2      LEU  69   5.486  -4.307  -6.351
  513    H    LEU  70           H        LEU  70   8.992  -5.389  -2.683
  514    HA   LEU  70           HA       LEU  70   8.368  -2.954  -1.536
  515   1HB   LEU  70          2HB       LEU  70   9.101  -5.609  -0.413
  516   2HB   LEU  70          1HB       LEU  70   9.091  -4.239   0.676
  517    HG   LEU  70           HG       LEU  70   6.735  -3.809   0.119
  518   1HD1  LEU  70          1HD1      LEU  70   7.274  -5.457  -2.087
  519   2HD1  LEU  70          2HD1      LEU  70   5.749  -4.683  -1.658
  520   3HD1  LEU  70          3HD1      LEU  70   6.098  -6.316  -1.091
  521   1HD2  LEU  70          1HD2      LEU  70   6.677  -6.673   0.803
  522   2HD2  LEU  70          2HD2      LEU  70   5.991  -5.286   1.649
  523   3HD2  LEU  70          3HD2      LEU  70   7.707  -5.658   1.812
  524    H    ASN  71           H        ASN  71  11.476  -4.704  -1.382
  525    HA   ASN  71           HA       ASN  71  12.858  -3.011   0.288
  526   1HB   ASN  71          2HB       ASN  71  13.667  -4.772  -1.965
  527   2HB   ASN  71          1HB       ASN  71  14.854  -3.608  -1.377
  528   1HD2  ASN  71          1HD2      ASN  71  13.854  -6.675  -1.065
  529   2HD2  ASN  71          2HD2      ASN  71  14.356  -6.993   0.546
  530    H    HIS  72           H        HIS  72  12.386  -2.639  -3.212
  531    HA   HIS  72           HA       HIS  72  13.944  -0.289  -3.431
  532   1HB   HIS  72          2HB       HIS  72  11.803  -1.475  -5.181
  533   2HB   HIS  72          1HB       HIS  72  12.620   0.031  -5.594
  534    HD1  HIS  72           1HD      HIS  72  15.358  -0.231  -5.706
  535    HD2  HIS  72           2HD      HIS  72  13.089  -3.690  -6.044
  536    HE1  HIS  72           1HE      HIS  72  16.896  -1.945  -6.715
  537    HE2  HIS  72           2HE      HIS  72  15.530  -4.059  -6.815
  538    H    THR  73           H        THR  73  10.386  -0.663  -3.295
  539    HA   THR  73           HA       THR  73   9.777   2.053  -3.358
  540    HB   THR  73           HB       THR  73   7.684   1.381  -2.113
  541    HG1  THR  73           1HG      THR  73   8.847  -0.398  -1.014
  542   1HG2  THR  73          1HG2      THR  73   8.111  -0.646  -4.246
  543   2HG2  THR  73          2HG2      THR  73   8.131   1.068  -4.663
  544   3HG2  THR  73          3HG2      THR  73   6.703   0.360  -3.907
  545    H    GLN  74           H        GLN  74  10.401  -0.032  -0.568
  546    HA   GLN  74           HA       GLN  74  10.222   2.066   1.349
  547   1HB   GLN  74          2HB       GLN  74  10.886   0.443   2.957
  548   2HB   GLN  74          1HB       GLN  74   9.849  -0.392   1.810
  549   1HG   GLN  74          2HG       GLN  74  11.813  -1.316   0.700
  550   2HG   GLN  74          1HG       GLN  74  12.857  -0.473   1.840
  551   1HE2  GLN  74          1HE2      GLN  74  10.244  -1.316   3.594
  552   2HE2  GLN  74          2HE2      GLN  74  10.768  -2.845   4.201
  553    H    ARG  75           H        ARG  75  12.636   0.920  -0.794
  554    HA   ARG  75           HA       ARG  75  14.988   1.567   0.579
  555   1HB   ARG  75          2HB       ARG  75  14.887   0.359  -1.605
  556   2HB   ARG  75          1HB       ARG  75  14.458   1.872  -2.387
  557   1HG   ARG  75          2HG       ARG  75  16.608   2.825  -1.733
  558   2HG   ARG  75          1HG       ARG  75  17.037   1.304  -0.945
  559   1HD   ARG  75          2HD       ARG  75  16.787   0.150  -3.127
  560   2HD   ARG  75          1HD       ARG  75  16.469   1.712  -3.880
  561    HE   ARG  75           HE       ARG  75  18.890   1.936  -2.539
  562   1HH1  ARG  75          1HH1      ARG  75  17.557   0.090  -5.179
  563   2HH1  ARG  75          2HH1      ARG  75  19.067  -0.040  -6.018
  564   1HH2  ARG  75          1HH2      ARG  75  20.880   1.772  -3.641
  565   2HH2  ARG  75          2HH2      ARG  75  20.954   0.915  -5.144
  566    H    ILE  76           H        ILE  76  12.802   3.499  -1.393
  567    HA   ILE  76           HA       ILE  76  14.335   5.880  -1.171
  568    HB   ILE  76           HB       ILE  76  11.428   5.526  -1.904
  569   1HG1  ILE  76          2HG1      ILE  76  13.967   5.816  -3.519
  570   2HG1  ILE  76          1HG1      ILE  76  12.850   4.456  -3.516
  571   1HG2  ILE  76          1HG2      ILE  76  11.356   7.780  -2.548
  572   2HG2  ILE  76          2HG2      ILE  76  13.108   7.956  -2.447
  573   3HG2  ILE  76          3HG2      ILE  76  12.151   7.795  -0.974
  574   1HD1  ILE  76          1HD1      ILE  76  11.986   7.180  -4.407
  575   2HD1  ILE  76          2HD1      ILE  76  11.260   5.613  -4.760
  576   3HD1  ILE  76          3HD1      ILE  76  12.798   6.059  -5.498
  577    H    GLU  77           H        GLU  77  11.220   4.904   0.405
  578    HA   GLU  77           HA       GLU  77  11.117   7.127   2.096
  579   1HB   GLU  77          2HB       GLU  77   9.617   5.900   3.534
  580   2HB   GLU  77          1HB       GLU  77   9.213   5.567   1.867
  581   1HG   GLU  77          2HG       GLU  77   9.016   3.534   3.000
  582   2HG   GLU  77          1HG       GLU  77  10.525   3.427   2.106
  583    H    LEU  78           H        LEU  78  13.194   4.418   2.158
  584    HA   LEU  78           HA       LEU  78  13.898   4.437   4.902
  585   1HB   LEU  78          2HB       LEU  78  14.347   2.588   3.247
  586   2HB   LEU  78          1HB       LEU  78  15.621   3.582   2.573
  587    HG   LEU  78           HG       LEU  78  15.616   2.733   5.465
  588   1HD1  LEU  78          1HD1      LEU  78  16.542   0.733   4.988
  589   2HD1  LEU  78          2HD1      LEU  78  17.372   1.336   3.554
  590   3HD1  LEU  78          3HD1      LEU  78  15.658   0.922   3.473
  591   1HD2  LEU  78          1HD2      LEU  78  17.464   4.156   3.651
  592   2HD2  LEU  78          2HD2      LEU  78  18.188   2.973   4.741
  593   3HD2  LEU  78          3HD2      LEU  78  17.238   4.309   5.394
  594    H    GLN  79           H        GLN  79  15.159   6.087   2.038
  595    HA   GLN  79           HA       GLN  79  16.898   7.693   3.810
  596   1HB   GLN  79          2HB       GLN  79  17.172   7.355   0.816
  597   2HB   GLN  79          1HB       GLN  79  18.331   8.086   1.917
  598   1HG   GLN  79          2HG       GLN  79  18.717   5.929   2.966
  599   2HG   GLN  79          1HG       GLN  79  17.527   5.185   1.902
  600   1HE2  GLN  79          1HE2      GLN  79  18.377   4.123   0.281
  601   2HE2  GLN  79          2HE2      GLN  79  19.861   4.490  -0.524
  602    H    GLN  80           H        GLN  80  13.989   7.833   2.372
  603    HA   GLN  80           HA       GLN  80  14.179  10.626   1.500
  604   1HB   GLN  80          2HB       GLN  80  12.901   8.668   0.240
  605   2HB   GLN  80          1HB       GLN  80  11.636   9.032   1.402
  606   1HG   GLN  80          2HG       GLN  80  12.857  11.024  -0.496
  607   2HG   GLN  80          1HG       GLN  80  11.345  10.163  -0.766
  608   1HE2  GLN  80          1HE2      GLN  80   9.552  11.120  -0.136
  609   2HE2  GLN  80          2HE2      GLN  80   9.440  12.437   0.975
  610    H    GLY  81           H        GLY  81  12.342   8.492   3.630
  611   1HA   GLY  81          2HA       GLY  81  11.763  10.804   5.366
  612   2HA   GLY  81          1HA       GLY  81  10.669   9.433   5.177
  613    H    ARG  82           H        ARG  82  14.140   9.209   5.331
  614    HA   ARG  82           HA       ARG  82  14.409   7.106   7.018
  615   1HB   ARG  82          2HB       ARG  82  16.180   8.531   5.750
  616   2HB   ARG  82          1HB       ARG  82  16.279   9.455   7.239
  617   1HG   ARG  82          2HG       ARG  82  16.706   6.481   7.147
  618   2HG   ARG  82          1HG       ARG  82  18.008   7.645   6.904
  619   1HD   ARG  82          2HD       ARG  82  17.460   8.623   9.124
  620   2HD   ARG  82          1HD       ARG  82  16.290   7.328   9.359
  621    HE   ARG  82           HE       ARG  82  19.056   7.163   9.807
  622   1HH1  ARG  82          1HH1      ARG  82  16.453   5.308   8.407
  623   2HH1  ARG  82          2HH1      ARG  82  17.212   3.781   8.711
  624   1HH2  ARG  82          1HH2      ARG  82  20.054   5.159  10.209
  625   2HH2  ARG  82          2HH2      ARG  82  19.257   3.697   9.734
  626    H    VAL  83           H        VAL  83  14.677   6.794   9.243
  627    HA   VAL  83           HA       VAL  83  13.008   8.263  10.936
  628    HB   VAL  83           HB       VAL  83  14.025   7.028  12.793
  629   1HG1  VAL  83          1HG1      VAL  83  13.876   4.986  10.642
  630   2HG1  VAL  83          2HG1      VAL  83  12.466   6.014  10.905
  631   3HG1  VAL  83          3HG1      VAL  83  13.096   5.026  12.224
  632   1HG2  VAL  83          1HG2      VAL  83  15.860   5.438  12.351
  633   2HG2  VAL  83          2HG2      VAL  83  16.353   7.118  12.131
  634   3HG2  VAL  83          3HG2      VAL  83  16.019   6.105  10.725
  635    H    ARG  84           H        ARG  84  15.796   9.330   9.604
  636    HA   ARG  84           HA       ARG  84  16.203  11.258  11.771
  637   1HB   ARG  84          2HB       ARG  84  18.404   9.787  10.315
  638   2HB   ARG  84          1HB       ARG  84  18.657  11.169  11.369
  639   1HG   ARG  84          2HG       ARG  84  17.709   9.890  13.242
  640   2HG   ARG  84          1HG       ARG  84  17.530   8.498  12.174
  641   1HD   ARG  84          2HD       ARG  84  20.148   9.858  12.805
  642   2HD   ARG  84          1HD       ARG  84  19.555   8.405  13.606
  643    HE   ARG  84           HE       ARG  84  20.103   7.174  11.739
  644   1HH1  ARG  84          1HH1      ARG  84  20.463  10.574  11.042
  645   2HH1  ARG  84          2HH1      ARG  84  21.203  10.306   9.499
  646   1HH2  ARG  84          1HH2      ARG  84  21.074   6.819   9.716
  647   2HH2  ARG  84          2HH2      ARG  84  21.551   8.173   8.747
  648    H    LYS  85           H        LYS  85  16.710  13.295  11.137
  649    HA   LYS  85           HA       LYS  85  17.092  15.110   9.805
  650   1HB   LYS  85          2HB       LYS  85  17.367  13.116   7.547
  651   2HB   LYS  85          1HB       LYS  85  17.676  14.842   7.416
  652   1HG   LYS  85          2HG       LYS  85  19.173  12.952   9.223
  653   2HG   LYS  85          1HG       LYS  85  19.730  13.505   7.644
  654   1HD   LYS  85          2HD       LYS  85  19.122  15.301   9.992
  655   2HD   LYS  85          1HD       LYS  85  20.735  14.769   9.517
  656   1HE   LYS  85          2HE       LYS  85  20.450  15.866   7.343
  657   2HE   LYS  85          1HE       LYS  85  18.841  16.403   7.830
  658   1HZ   LYS  85          1HZ       LYS  85  21.387  17.541   8.435
  659   2HZ   LYS  85          2HZ       LYS  85  20.492  17.253   9.840
  660   3HZ   LYS  85          3HZ       LYS  85  19.844  18.211   8.607
  661    H    ALA  86           H        ALA  86  15.509  13.137   7.333
  662    HA   ALA  86           HA       ALA  86  13.515  15.054   6.821
  663   1HB   ALA  86          1HB       ALA  86  13.684  12.119   6.166
  664   2HB   ALA  86          2HB       ALA  86  14.031  13.490   5.111
  665   3HB   ALA  86          3HB       ALA  86  12.372  13.161   5.611
  666    H    GLU  87           H        GLU  87  13.369  11.955   8.560
  667    HA   GLU  87           HA       GLU  87  10.920  12.913   9.901
  668   1HB   GLU  87          2HB       GLU  87  11.808  10.090   9.312
  669   2HB   GLU  87          1HB       GLU  87  10.370  10.517  10.229
  670   1HG   GLU  87          2HG       GLU  87  10.870  11.264   7.357
  671   2HG   GLU  87          1HG       GLU  87   9.883   9.907   7.895
  672    H    ARG  88           H        ARG  88  12.447  13.990  11.393
  673    HA   ARG  88           HA       ARG  88  14.333  12.747  12.973
  674   1HB   ARG  88          2HB       ARG  88  12.428  14.942  13.807
  675   2HB   ARG  88          1HB       ARG  88  13.932  14.527  14.621
  676   1HG   ARG  88          2HG       ARG  88  15.156  15.089  12.541
  677   2HG   ARG  88          1HG       ARG  88  13.631  15.625  11.834
  678   1HD   ARG  88          2HD       ARG  88  14.875  17.521  12.698
  679   2HD   ARG  88          1HD       ARG  88  13.398  17.281  13.630
  680    HE   ARG  88           HE       ARG  88  15.445  15.903  14.920
  681   1HH1  ARG  88          1HH1      ARG  88  14.592  19.193  14.145
  682   2HH1  ARG  88          2HH1      ARG  88  15.384  19.861  15.533
  683   1HH2  ARG  88          1HH2      ARG  88  16.493  16.775  16.744
  684   2HH2  ARG  88          2HH2      ARG  88  16.466  18.485  17.010
  685    H    TRP  89           H        TRP  89  11.024  13.465  14.115
  686    HA   TRP  89           HA       TRP  89  10.750  10.805  15.200
  687   1HB   TRP  89          2HB       TRP  89  12.064  11.966  16.955
  688   2HB   TRP  89          1HB       TRP  89  10.787  13.172  17.087
  689    HD1  TRP  89           HD       TRP  89  10.670   9.282  17.106
  690    HE1  TRP  89           1HE      TRP  89   9.282   8.547  19.144
  691    HE3  TRP  89           3HE      TRP  89   9.639  13.881  19.089
  692    HZ2  TRP  89           2HZ      TRP  89   7.931   9.755  21.306
  693    HZ3  TRP  89           3HZ      TRP  89   8.290  14.003  21.144
  694    HH2  TRP  89           HH       TRP  89   7.454  11.981  22.228
  695    H    GLY  90           H        GLY  90   8.635  10.236  15.582
  696   1HA   GLY  90          2HA       GLY  90   6.362  11.088  16.180
  697   2HA   GLY  90          1HA       GLY  90   6.633  12.319  14.956
  698    HA   PRO  91           HA       PRO  91   4.010   9.219  12.818
  699   1HB   PRO  91          2HB       PRO  91   4.068  11.459  10.858
  700   2HB   PRO  91          1HB       PRO  91   2.696  10.517  11.453
  701   1HG   PRO  91          2HG       PRO  91   3.103  13.004  12.305
  702   2HG   PRO  91          1HG       PRO  91   2.533  11.743  13.413
  703   1HD   PRO  91          2HD       PRO  91   5.256  12.936  13.138
  704   2HD   PRO  91          1HD       PRO  91   4.396  12.408  14.599
  705    H    ARG  92           H        ARG  92   4.343   7.968  10.952
  706    HA   ARG  92           HA       ARG  92   7.063   7.718  10.132
  707   1HB   ARG  92          2HB       ARG  92   4.536   6.352   9.203
  708   2HB   ARG  92          1HB       ARG  92   6.127   5.963   8.567
  709   1HG   ARG  92          2HG       ARG  92   5.574   4.356  10.237
  710   2HG   ARG  92          1HG       ARG  92   6.847   5.396  10.879
  711   1HD   ARG  92          2HD       ARG  92   5.114   6.704  12.071
  712   2HD   ARG  92          1HD       ARG  92   3.899   5.564  11.493
  713    HE   ARG  92           HE       ARG  92   5.886   4.107  12.795
  714   1HH1  ARG  92          1HH1      ARG  92   3.456   6.487  13.539
  715   2HH1  ARG  92          2HH1      ARG  92   3.237   5.944  15.170
  716   1HH2  ARG  92          1HH2      ARG  92   5.608   3.383  14.939
  717   2HH2  ARG  92          2HH2      ARG  92   4.463   4.179  15.967
  718    H    THR  93           H        THR  93   6.915   7.073   7.420
  719    HA   THR  93           HA       THR  93   6.087   9.585   6.149
  720    HB   THR  93           HB       THR  93   8.458   9.756   6.554
  721    HG1  THR  93           1HG      THR  93   7.432  10.019   4.274
  722   1HG2  THR  93          1HG2      THR  93  10.018   8.159   6.251
  723   2HG2  THR  93          2HG2      THR  93   9.170   7.427   4.891
  724   3HG2  THR  93          3HG2      THR  93   8.636   7.102   6.540
  725    H    LEU  94           H        LEU  94   6.707   6.128   5.888
  726    HA   LEU  94           HA       LEU  94   4.833   5.936   3.727
  727   1HB   LEU  94          2HB       LEU  94   7.304   6.693   2.971
  728   2HB   LEU  94          1HB       LEU  94   7.489   4.956   2.899
  729    HG   LEU  94           HG       LEU  94   5.323   6.468   1.458
  730   1HD1  LEU  94          1HD1      LEU  94   7.678   7.061   0.789
  731   2HD1  LEU  94          2HD1      LEU  94   6.654   6.410  -0.491
  732   3HD1  LEU  94          3HD1      LEU  94   7.863   5.383   0.278
  733   1HD2  LEU  94          1HD2      LEU  94   5.892   3.673   1.892
  734   2HD2  LEU  94          2HD2      LEU  94   5.921   4.071   0.175
  735   3HD2  LEU  94          3HD2      LEU  94   4.488   4.430   1.137
  736    H    ASP  95           H        ASP  95   4.172   3.848   3.288
  737    HA   ASP  95           HA       ASP  95   5.472   1.688   4.819
  738   1HB   ASP  95          2HB       ASP  95   3.476   2.363   6.046
  739   2HB   ASP  95          1HB       ASP  95   2.497   2.196   4.592
  740    H    LEU  96           H        LEU  96   5.893  -0.110   3.655
  741    HA   LEU  96           HA       LEU  96   4.519  -0.402   1.064
  742   1HB   LEU  96          2HB       LEU  96   7.393  -1.063   1.693
  743   2HB   LEU  96          1HB       LEU  96   6.598  -1.356   0.159
  744    HG   LEU  96           HG       LEU  96   7.902   0.591  -0.125
  745   1HD1  LEU  96          1HD1      LEU  96   5.255   1.850   0.408
  746   2HD1  LEU  96          2HD1      LEU  96   5.390   0.584  -0.813
  747   3HD1  LEU  96          3HD1      LEU  96   6.349   2.057  -0.959
  748   1HD2  LEU  96          1HD2      LEU  96   6.650   1.659   2.401
  749   2HD2  LEU  96          2HD2      LEU  96   7.726   2.559   1.333
  750   3HD2  LEU  96          3HD2      LEU  96   8.323   1.139   2.194
  751    H    ASP  97           H        ASP  97   3.266  -2.107   1.020
  752    HA   ASP  97           HA       ASP  97   4.240  -4.709   1.885
  753   1HB   ASP  97          2HB       ASP  97   1.658  -3.531   2.954
  754   2HB   ASP  97          1HB       ASP  97   2.169  -5.203   3.159
  755    H    ILE  98           H        ILE  98   2.503  -6.438   1.276
  756    HA   ILE  98           HA       ILE  98   1.228  -5.557  -1.225
  757    HB   ILE  98           HB       ILE  98   1.693  -7.991  -1.985
  758   1HG1  ILE  98          2HG1      ILE  98   3.630  -9.024  -1.198
  759   2HG1  ILE  98          1HG1      ILE  98   4.073  -7.652  -0.192
  760   1HG2  ILE  98          1HG2      ILE  98   4.196  -6.948  -2.444
  761   2HG2  ILE  98          2HG2      ILE  98   3.175  -5.532  -2.199
  762   3HG2  ILE  98          3HG2      ILE  98   2.753  -6.722  -3.436
  763   1HD1  ILE  98          1HD1      ILE  98   2.101  -8.151   1.226
  764   2HD1  ILE  98          2HD1      ILE  98   3.288  -9.456   1.182
  765   3HD1  ILE  98          3HD1      ILE  98   1.804  -9.582   0.238
  766    H    MET  99           H        MET  99  -0.548  -6.732  -1.989
  767    HA   MET  99           HA       MET  99  -2.111  -8.039   0.113
  768   1HB   MET  99          2HB       MET  99  -2.964  -6.486  -2.327
  769   2HB   MET  99          1HB       MET  99  -4.081  -7.352  -1.281
  770   1HG   MET  99          2HG       MET  99  -4.114  -5.053  -0.668
  771   2HG   MET  99          1HG       MET  99  -3.302  -5.950   0.612
  772   1HE   MET  99          1HE       MET  99  -0.898  -3.828  -2.643
  773   2HE   MET  99          2HE       MET  99  -2.531  -3.209  -2.396
  774   3HE   MET  99          3HE       MET  99  -2.286  -4.896  -2.852
  775    H    LEU 100           H        LEU 100  -2.136  -8.085  -3.462
  776    HA   LEU 100           HA       LEU 100  -2.038 -11.014  -3.408
  777   1HB   LEU 100          2HB       LEU 100  -3.834 -10.418  -5.466
  778   2HB   LEU 100          1HB       LEU 100  -4.169 -11.238  -3.955
  779    HG   LEU 100           HG       LEU 100  -4.787  -9.123  -2.907
  780   1HD1  LEU 100          1HD1      LEU 100  -5.124  -7.246  -4.801
  781   2HD1  LEU 100          2HD1      LEU 100  -3.648  -8.016  -5.387
  782   3HD1  LEU 100          3HD1      LEU 100  -3.704  -7.344  -3.758
  783   1HD2  LEU 100          1HD2      LEU 100  -6.146 -10.367  -5.093
  784   2HD2  LEU 100          2HD2      LEU 100  -6.510  -8.643  -5.067
  785   3HD2  LEU 100          3HD2      LEU 100  -6.813  -9.629  -3.637
  786    H    PHE 101           H        PHE 101  -0.493 -11.728  -4.707
  787    HA   PHE 101           HA       PHE 101   0.719 -10.052  -6.719
  788   1HB   PHE 101          2HB       PHE 101   2.023 -11.620  -5.270
  789   2HB   PHE 101          1HB       PHE 101   1.236 -12.968  -6.081
  790    HD1  PHE 101           1HD      PHE 101   2.391 -13.990  -7.795
  791    HD2  PHE 101           2HD      PHE 101   3.147  -9.886  -6.950
  792    HE1  PHE 101           1HE      PHE 101   4.157 -13.966  -9.506
  793    HE2  PHE 101           2HE      PHE 101   4.909  -9.855  -8.665
  794    HZ   PHE 101           HZ       PHE 101   5.387 -11.929  -9.975
  795    H    GLY 102           H        GLY 102  -0.704  -9.759  -8.416
  796   1HA   GLY 102          2HA       GLY 102  -2.041 -10.299 -10.236
  797   2HA   GLY 102          1HA       GLY 102  -0.746 -11.436 -10.559
  798    H    ASN 103           H        ASN 103  -2.508 -11.934  -7.676
  799    HA   ASN 103           HA       ASN 103  -4.199 -13.347  -7.024
  800   1HB   ASN 103          2HB       ASN 103  -4.494 -14.191  -9.917
  801   2HB   ASN 103          1HB       ASN 103  -5.603 -14.542  -8.593
  802   1HD2  ASN 103          1HD2      ASN 103  -4.646 -11.529  -7.949
  803   2HD2  ASN 103          2HD2      ASN 103  -5.851 -10.635  -8.801
  804    H    GLU 104           H        GLU 104  -1.440 -13.998  -8.710
  805    HA   GLU 104           HA       GLU 104  -1.145 -16.723  -8.893
  806   1HB   GLU 104          2HB       GLU 104   0.453 -14.344  -8.870
  807   2HB   GLU 104          1HB       GLU 104   1.278 -15.588  -7.960
  808   1HG   GLU 104          2HG       GLU 104   0.168 -16.140 -10.668
  809   2HG   GLU 104          1HG       GLU 104   1.718 -15.337 -10.467
  810    H    VAL 105           H        VAL 105  -0.905 -18.352  -7.409
  811    HA   VAL 105           HA       VAL 105  -1.230 -17.741  -4.619
  812    HB   VAL 105           HB       VAL 105  -0.489 -20.400  -5.866
  813   1HG1  VAL 105          1HG1      VAL 105  -0.231 -19.882  -3.316
  814   2HG1  VAL 105          2HG1      VAL 105  -0.943 -21.405  -3.853
  815   3HG1  VAL 105          3HG1      VAL 105  -1.983 -20.088  -3.306
  816   1HG2  VAL 105          1HG2      VAL 105  -3.255 -19.978  -4.978
  817   2HG2  VAL 105          2HG2      VAL 105  -2.636 -20.781  -6.421
  818   3HG2  VAL 105          3HG2      VAL 105  -2.780 -19.024  -6.383
  819    H    ILE 106           H        ILE 106   0.395 -16.900  -3.519
  820    HA   ILE 106           HA       ILE 106   2.977 -18.197  -3.491
  821    HB   ILE 106           HB       ILE 106   3.155 -16.830  -5.467
  822   1HG1  ILE 106          2HG1      ILE 106   4.619 -15.434  -3.220
  823   2HG1  ILE 106          1HG1      ILE 106   5.156 -16.915  -4.017
  824   1HG2  ILE 106          1HG2      ILE 106   2.619 -14.571  -5.622
  825   2HG2  ILE 106          2HG2      ILE 106   2.583 -14.362  -3.871
  826   3HG2  ILE 106          3HG2      ILE 106   1.303 -15.270  -4.677
  827   1HD1  ILE 106          1HD1      ILE 106   5.599 -14.228  -4.796
  828   2HD1  ILE 106          2HD1      ILE 106   4.589 -14.998  -6.026
  829   3HD1  ILE 106          3HD1      ILE 106   6.146 -15.710  -5.585
  830    H    ASN 107           H        ASN 107   2.986 -18.458  -1.328
  831    HA   ASN 107           HA       ASN 107   2.760 -16.018   0.310
  832   1HB   ASN 107          2HB       ASN 107   2.293 -18.637   1.612
  833   2HB   ASN 107          1HB       ASN 107   1.516 -17.075   1.887
  834   1HD2  ASN 107          1HD2      ASN 107  -0.463 -16.906   1.282
  835   2HD2  ASN 107          2HD2      ASN 107  -1.253 -17.857   0.078
  836    H    THR 108           H        THR 108   4.144 -15.735   1.974
  837    HA   THR 108           HA       THR 108   6.173 -17.675   2.654
  838    HB   THR 108           HB       THR 108   8.052 -16.065   2.192
  839    HG1  THR 108           1HG      THR 108   5.926 -14.627   1.154
  840   1HG2  THR 108          1HG2      THR 108   8.493 -17.137   0.312
  841   2HG2  THR 108          2HG2      THR 108   7.129 -16.385  -0.517
  842   3HG2  THR 108          3HG2      THR 108   6.886 -17.852   0.428
  843    H    GLU 109           H        GLU 109   5.897 -14.136   2.822
  844    HA   GLU 109           HA       GLU 109   5.065 -14.044   5.526
  845   1HB   GLU 109          2HB       GLU 109   7.378 -14.733   5.969
  846   2HB   GLU 109          1HB       GLU 109   7.976 -13.407   4.983
  847   1HG   GLU 109          2HG       GLU 109   8.192 -12.877   7.326
  848   2HG   GLU 109          1HG       GLU 109   7.018 -11.805   6.565
  849    H    ARG 110           H        ARG 110   7.410 -11.994   3.836
  850    HA   ARG 110           HA       ARG 110   5.587  -9.738   4.031
  851   1HB   ARG 110          2HB       ARG 110   7.396  -8.376   3.176
  852   2HB   ARG 110          1HB       ARG 110   8.039  -9.415   4.435
  853   1HG   ARG 110          2HG       ARG 110   8.266 -10.063   1.508
  854   2HG   ARG 110          1HG       ARG 110   9.481  -9.125   2.384
  855   1HD   ARG 110          2HD       ARG 110   9.692 -11.044   3.972
  856   2HD   ARG 110          1HD       ARG 110   8.616 -11.966   2.926
  857    HE   ARG 110           HE       ARG 110  10.423 -12.407   1.623
  858   1HH1  ARG 110          1HH1      ARG 110  11.015  -9.406   3.300
  859   2HH1  ARG 110          2HH1      ARG 110  12.597  -9.196   2.630
  860   1HH2  ARG 110          1HH2      ARG 110  12.509 -12.136   0.743
  861   2HH2  ARG 110          2HH2      ARG 110  13.445 -10.745   1.178
  862    H    LEU 111           H        LEU 111   5.603 -12.304   2.278
  863    HA   LEU 111           HA       LEU 111   4.589 -10.985  -0.116
  864   1HB   LEU 111          2HB       LEU 111   6.748 -11.533  -0.825
  865   2HB   LEU 111          1HB       LEU 111   6.748 -13.057   0.035
  866    HG   LEU 111           HG       LEU 111   5.490 -14.136  -1.624
  867   1HD1  LEU 111          1HD1      LEU 111   4.738 -11.380  -2.530
  868   2HD1  LEU 111          2HD1      LEU 111   3.679 -12.662  -1.942
  869   3HD1  LEU 111          3HD1      LEU 111   4.465 -12.815  -3.514
  870   1HD2  LEU 111          1HD2      LEU 111   7.847 -13.125  -2.250
  871   2HD2  LEU 111          2HD2      LEU 111   6.875 -12.238  -3.427
  872   3HD2  LEU 111          3HD2      LEU 111   6.873 -14.004  -3.429
  873    H    THR 112           H        THR 112   2.519 -11.484   0.623
  874    HA   THR 112           HA       THR 112   1.764 -14.301   0.274
  875    HB   THR 112           HB       THR 112   1.758 -13.848   2.664
  876    HG1  THR 112           1HG      THR 112  -0.174 -14.701   2.988
  877   1HG2  THR 112          1HG2      THR 112   0.438 -12.192   3.720
  878   2HG2  THR 112          2HG2      THR 112  -0.289 -11.701   2.191
  879   3HG2  THR 112          3HG2      THR 112   1.416 -11.377   2.500
  880    H    VAL 113           H        VAL 113   0.407 -14.467  -1.418
  881    HA   VAL 113           HA       VAL 113  -0.847 -12.163  -2.544
  882    HB   VAL 113           HB       VAL 113  -0.059 -14.025  -3.939
  883   1HG1  VAL 113          1HG1      VAL 113  -1.446 -16.044  -4.190
  884   2HG1  VAL 113          2HG1      VAL 113  -2.375 -15.552  -2.777
  885   3HG1  VAL 113          3HG1      VAL 113  -0.661 -15.934  -2.615
  886   1HG2  VAL 113          1HG2      VAL 113  -2.596 -12.682  -4.130
  887   2HG2  VAL 113          2HG2      VAL 113  -2.637 -14.232  -4.971
  888   3HG2  VAL 113          3HG2      VAL 113  -1.411 -13.035  -5.386
  889    HA   PRO 114           HA       PRO 114  -4.925 -14.040  -0.696
  890   1HB   PRO 114          2HB       PRO 114  -4.750 -15.615   1.460
  891   2HB   PRO 114          1HB       PRO 114  -4.587 -16.290  -0.169
  892   1HG   PRO 114          2HG       PRO 114  -2.423 -15.475   1.747
  893   2HG   PRO 114          1HG       PRO 114  -2.599 -17.006   0.862
  894   1HD   PRO 114          2HD       PRO 114  -0.995 -15.060  -0.053
  895   2HD   PRO 114          1HD       PRO 114  -1.966 -16.068  -1.155
  896    H    HIS 115           H        HIS 115  -2.328 -12.561   0.445
  897    HA   HIS 115           HA       HIS 115  -1.783 -11.431   2.417
  898   1HB   HIS 115          2HB       HIS 115  -2.794  -9.202   2.153
  899   2HB   HIS 115          1HB       HIS 115  -2.212  -9.901   0.647
  900    HD1  HIS 115           1HD      HIS 115  -4.261  -7.598   0.715
  901    HD2  HIS 115           2HD      HIS 115  -5.254 -11.611   0.345
  902    HE1  HIS 115           1HE      HIS 115  -6.485  -7.636  -0.455
  903    HE2  HIS 115           2HE      HIS 115  -7.067 -10.075  -0.663
  904    H    TYR 116           H        TYR 116  -2.098 -11.952   4.421
  905    HA   TYR 116           HA       TYR 116  -4.795 -12.169   5.504
  906   1HB   TYR 116          2HB       TYR 116  -3.195 -13.930   6.058
  907   2HB   TYR 116          1HB       TYR 116  -2.088 -12.743   6.735
  908    HD1  TYR 116           1HD      TYR 116  -1.943 -13.008   9.017
  909    HD2  TYR 116           2HD      TYR 116  -5.757 -13.360   7.163
  910    HE1  TYR 116           1HE      TYR 116  -2.984 -13.297  11.227
  911    HE2  TYR 116           2HE      TYR 116  -6.808 -13.647   9.367
  912    HH   TYR 116           HH       TYR 116  -6.093 -14.437  11.660
  913    H    ASP 117           H        ASP 117  -5.598 -10.902   7.152
  914    HA   ASP 117           HA       ASP 117  -5.726  -9.225   8.715
  915   1HB   ASP 117          2HB       ASP 117  -3.285  -9.439   9.141
  916   2HB   ASP 117          1HB       ASP 117  -2.980  -8.330   7.810
  917    H    MET 118           H        MET 118  -5.176  -8.914   5.395
  918    HA   MET 118           HA       MET 118  -5.534  -6.150   5.005
  919   1HB   MET 118          2HB       MET 118  -6.334  -6.847   2.708
  920   2HB   MET 118          1HB       MET 118  -4.764  -7.511   3.154
  921   1HG   MET 118          2HG       MET 118  -5.856  -9.329   2.261
  922   2HG   MET 118          1HG       MET 118  -6.134  -9.540   3.982
  923   1HE   MET 118          1HE       MET 118  -7.711 -11.322   2.834
  924   2HE   MET 118          2HE       MET 118  -9.439 -10.967   2.810
  925   3HE   MET 118          3HE       MET 118  -8.523 -10.797   4.308
  926    H    LYS 119           H        LYS 119  -7.818  -8.789   5.449
  927    HA   LYS 119           HA       LYS 119 -10.170  -7.383   4.772
  928   1HB   LYS 119          2HB       LYS 119 -11.353  -9.177   5.960
  929   2HB   LYS 119          1HB       LYS 119 -10.108  -9.823   4.899
  930   1HG   LYS 119          2HG       LYS 119  -8.627 -10.143   6.802
  931   2HG   LYS 119          1HG       LYS 119  -9.843  -9.455   7.878
  932   1HD   LYS 119          2HD       LYS 119  -9.926 -11.859   8.025
  933   2HD   LYS 119          1HD       LYS 119 -11.388 -11.280   7.223
  934   1HE   LYS 119          2HE       LYS 119 -10.506 -13.244   6.091
  935   2HE   LYS 119          1HE       LYS 119 -10.408 -11.826   5.048
  936   1HZ   LYS 119          1HZ       LYS 119  -8.347 -12.786   4.789
  937   2HZ   LYS 119          2HZ       LYS 119  -8.236 -13.283   6.402
  938   3HZ   LYS 119          3HZ       LYS 119  -8.031 -11.652   6.004
  939    H    ASN 120           H        ASN 120  -8.062  -7.029   7.332
  940    HA   ASN 120           HA       ASN 120 -10.021  -6.184   9.277
  941   1HB   ASN 120          2HB       ASN 120  -7.015  -6.303   9.267
  942   2HB   ASN 120          1HB       ASN 120  -7.916  -5.575  10.587
  943   1HD2  ASN 120          1HD2      ASN 120  -6.369  -8.257   9.746
  944   2HD2  ASN 120          2HD2      ASN 120  -7.257  -9.440  10.638
  945    H    ARG 121           H        ARG 121  -8.978  -4.715   6.550
  946    HA   ARG 121           HA       ARG 121  -9.646  -2.137   7.612
  947   1HB   ARG 121          2HB       ARG 121  -7.395  -1.182   6.685
  948   2HB   ARG 121          1HB       ARG 121  -7.508  -1.824   8.316
  949   1HG   ARG 121          2HG       ARG 121  -5.517  -2.690   7.455
  950   2HG   ARG 121          1HG       ARG 121  -6.671  -4.018   7.349
  951   1HD   ARG 121          2HD       ARG 121  -7.028  -3.526   4.989
  952   2HD   ARG 121          1HD       ARG 121  -5.903  -2.174   5.091
  953    HE   ARG 121           HE       ARG 121  -5.224  -4.850   4.638
  954   1HH1  ARG 121          1HH1      ARG 121  -4.182  -2.137   6.566
  955   2HH1  ARG 121          2HH1      ARG 121  -2.539  -2.679   6.667
  956   1HH2  ARG 121          1HH2      ARG 121  -3.066  -5.565   4.768
  957   2HH2  ARG 121          2HH2      ARG 121  -1.907  -4.623   5.646
  958    H    GLY 122           H        GLY 122 -10.611  -0.916   6.219
  959   1HA   GLY 122          2HA       GLY 122 -10.839  -1.726   3.442
  960   2HA   GLY 122          1HA       GLY 122 -11.677  -0.390   4.232
  961    H    PHE 123           H        PHE 123  -8.739   0.206   5.236
  962    HA   PHE 123           HA       PHE 123  -8.260   2.124   3.140
  963   1HB   PHE 123          2HB       PHE 123  -6.434   2.951   4.605
  964   2HB   PHE 123          1HB       PHE 123  -8.001   2.924   5.389
  965    HD1  PHE 123           1HD      PHE 123  -5.027   0.714   4.974
  966    HD2  PHE 123           2HD      PHE 123  -8.051   2.192   7.582
  967    HE1  PHE 123           1HE      PHE 123  -4.069  -0.595   6.822
  968    HE2  PHE 123           2HE      PHE 123  -7.091   0.893   9.435
  969    HZ   PHE 123           HZ       PHE 123  -5.038  -0.315   9.150
  970    H    MET 124           H        MET 124  -8.074  -0.516   2.346
  971    HA   MET 124           HA       MET 124  -5.584  -0.473   0.993
  972   1HB   MET 124          2HB       MET 124  -4.858  -1.389   3.188
  973   2HB   MET 124          1HB       MET 124  -5.979  -2.728   2.968
  974   1HG   MET 124          2HG       MET 124  -3.628  -3.262   2.400
  975   2HG   MET 124          1HG       MET 124  -4.768  -3.529   1.081
  976   1HE   MET 124          1HE       MET 124  -1.906   0.064   1.388
  977   2HE   MET 124          2HE       MET 124  -2.425  -0.974   2.716
  978   3HE   MET 124          3HE       MET 124  -3.543   0.205   2.029
  979    H    LEU 125           H        LEU 125  -8.421  -2.352   1.994
  980    HA   LEU 125           HA       LEU 125  -8.356  -3.944  -0.408
  981   1HB   LEU 125          2HB       LEU 125 -10.500  -3.707   1.697
  982   2HB   LEU 125          1HB       LEU 125 -10.435  -4.917   0.430
  983    HG   LEU 125           HG       LEU 125  -8.576  -4.626   2.782
  984   1HD1  LEU 125          1HD1      LEU 125 -10.329  -5.848   3.569
  985   2HD1  LEU 125          2HD1      LEU 125  -9.341  -7.136   2.885
  986   3HD1  LEU 125          3HD1      LEU 125 -10.722  -6.515   1.986
  987   1HD2  LEU 125          1HD2      LEU 125  -8.140  -6.949   1.101
  988   2HD2  LEU 125          2HD2      LEU 125  -6.980  -5.812   1.785
  989   3HD2  LEU 125          3HD2      LEU 125  -7.790  -5.436   0.265
  990    H    TRP 126           H        TRP 126 -10.211  -1.181   0.797
  991    HA   TRP 126           HA       TRP 126 -12.022  -1.112  -1.383
  992   1HB   TRP 126          2HB       TRP 126 -12.770   0.096   0.486
  993   2HB   TRP 126          1HB       TRP 126 -11.220   0.915   0.694
  994    HD1  TRP 126           HD       TRP 126 -11.716   3.389   0.350
  995    HE1  TRP 126           1HE      TRP 126 -12.890   4.801  -1.460
  996    HE3  TRP 126           3HE      TRP 126 -13.586  -0.389  -2.544
  997    HZ2  TRP 126           2HZ      TRP 126 -14.409   4.362  -3.803
  998    HZ3  TRP 126           3HZ      TRP 126 -14.888   0.190  -4.550
  999    HH2  TRP 126           HH       TRP 126 -15.290   2.519  -5.165
 1000    HA   PRO 127           HA       PRO 127  -8.943   2.386  -3.090
 1001   1HB   PRO 127          2HB       PRO 127  -6.326   1.651  -2.454
 1002   2HB   PRO 127          1HB       PRO 127  -7.232   2.967  -1.700
 1003   1HG   PRO 127          2HG       PRO 127  -6.836   0.154  -0.759
 1004   2HG   PRO 127          1HG       PRO 127  -6.816   1.663   0.174
 1005   1HD   PRO 127          2HD       PRO 127  -8.945   0.088   0.250
 1006   2HD   PRO 127          1HD       PRO 127  -9.145   1.850   0.143
 1007    H    LEU 128           H        LEU 128  -7.438  -0.782  -2.516
 1008    HA   LEU 128           HA       LEU 128  -6.400  -1.123  -5.103
 1009   1HB   LEU 128          2HB       LEU 128  -6.012  -2.401  -2.834
 1010   2HB   LEU 128          1HB       LEU 128  -7.289  -3.443  -3.425
 1011    HG   LEU 128           HG       LEU 128  -5.943  -4.007  -5.397
 1012   1HD1  LEU 128          1HD1      LEU 128  -3.843  -3.146  -5.846
 1013   2HD1  LEU 128          2HD1      LEU 128  -3.622  -2.552  -4.200
 1014   3HD1  LEU 128          3HD1      LEU 128  -4.731  -1.725  -5.295
 1015   1HD2  LEU 128          1HD2      LEU 128  -5.730  -5.396  -3.431
 1016   2HD2  LEU 128          2HD2      LEU 128  -4.494  -4.321  -2.777
 1017   3HD2  LEU 128          3HD2      LEU 128  -4.169  -5.252  -4.239
 1018    H    PHE 129           H        PHE 129  -9.602  -1.388  -3.866
 1019    HA   PHE 129           HA       PHE 129 -10.613  -3.181  -5.856
 1020   1HB   PHE 129          2HB       PHE 129 -11.724  -2.826  -3.657
 1021   2HB   PHE 129          1HB       PHE 129 -12.186  -1.215  -4.200
 1022    HD1  PHE 129           1HD      PHE 129 -13.835  -0.926  -5.980
 1023    HD2  PHE 129           2HD      PHE 129 -12.845  -4.792  -4.474
 1024    HE1  PHE 129           1HE      PHE 129 -15.854  -1.850  -7.039
 1025    HE2  PHE 129           2HE      PHE 129 -14.858  -5.719  -5.553
 1026    HZ   PHE 129           HZ       PHE 129 -16.365  -4.250  -6.830
 1027    H    GLU 130           H        GLU 130 -10.786   0.322  -5.333
 1028    HA   GLU 130           HA       GLU 130 -12.246   0.970  -7.629
 1029   1HB   GLU 130          2HB       GLU 130 -11.917   2.515  -5.749
 1030   2HB   GLU 130          1HB       GLU 130 -10.211   2.649  -6.153
 1031   1HG   GLU 130          2HG       GLU 130 -11.452   4.578  -6.938
 1032   2HG   GLU 130          1HG       GLU 130 -10.784   3.664  -8.289
 1033    H    ILE 131           H        ILE 131  -8.728   0.904  -7.107
 1034    HA   ILE 131           HA       ILE 131  -8.131   1.673  -9.793
 1035    HB   ILE 131           HB       ILE 131  -5.812   1.135  -9.260
 1036   1HG1  ILE 131          2HG1      ILE 131  -6.885   0.126  -6.613
 1037   2HG1  ILE 131          1HG1      ILE 131  -6.261  -0.894  -7.906
 1038   1HG2  ILE 131          1HG2      ILE 131  -5.973   2.480  -6.874
 1039   2HG2  ILE 131          2HG2      ILE 131  -7.497   2.895  -7.660
 1040   3HG2  ILE 131          3HG2      ILE 131  -5.967   3.220  -8.475
 1041   1HD1  ILE 131          1HD1      ILE 131  -4.138   0.640  -7.611
 1042   2HD1  ILE 131          2HD1      ILE 131  -4.421  -0.765  -6.584
 1043   3HD1  ILE 131          3HD1      ILE 131  -4.816   0.850  -5.997
 1044    H    ALA 132           H        ALA 132  -8.605  -1.360  -8.131
 1045    HA   ALA 132           HA       ALA 132  -8.594  -2.749 -10.675
 1046   1HB   ALA 132          1HB       ALA 132  -6.319  -2.833  -8.972
 1047   2HB   ALA 132          2HB       ALA 132  -6.594  -3.688 -10.489
 1048   3HB   ALA 132          3HB       ALA 132  -7.082  -4.422  -8.962
 1049    HA   PRO 133           HA       PRO 133 -11.729  -4.435  -7.748
 1050   1HB   PRO 133          2HB       PRO 133 -13.864  -4.209  -9.348
 1051   2HB   PRO 133          1HB       PRO 133 -13.230  -2.813  -8.468
 1052   1HG   PRO 133          2HG       PRO 133 -12.893  -3.558 -11.342
 1053   2HG   PRO 133          1HG       PRO 133 -13.148  -1.960 -10.619
 1054   1HD   PRO 133          2HD       PRO 133 -10.693  -2.968 -11.413
 1055   2HD   PRO 133          1HD       PRO 133 -10.921  -1.659 -10.239
 1056    H    GLU 134           H        GLU 134 -10.032  -5.508 -10.220
 1057    HA   GLU 134           HA       GLU 134 -11.639  -7.940 -10.628
 1058   1HB   GLU 134          2HB       GLU 134  -9.578  -6.704 -12.463
 1059   2HB   GLU 134          1HB       GLU 134 -10.419  -8.220 -12.761
 1060   1HG   GLU 134          2HG       GLU 134 -11.711  -5.511 -12.529
 1061   2HG   GLU 134          1HG       GLU 134 -11.383  -6.375 -14.031
 1062    H    LEU 135           H        LEU 135  -9.249  -6.901  -8.783
 1063    HA   LEU 135           HA       LEU 135  -7.154  -8.769  -9.243
 1064   1HB   LEU 135          2HB       LEU 135  -7.646  -6.608  -7.482
 1065   2HB   LEU 135          1HB       LEU 135  -7.343  -8.011  -6.475
 1066    HG   LEU 135           HG       LEU 135  -5.275  -6.824  -6.835
 1067   1HD1  LEU 135          1HD1      LEU 135  -4.431  -8.881  -8.573
 1068   2HD1  LEU 135          2HD1      LEU 135  -5.722  -9.540  -7.566
 1069   3HD1  LEU 135          3HD1      LEU 135  -4.302  -8.813  -6.815
 1070   1HD2  LEU 135          1HD2      LEU 135  -6.089  -6.982  -9.708
 1071   2HD2  LEU 135          2HD2      LEU 135  -4.384  -6.868  -9.272
 1072   3HD2  LEU 135          3HD2      LEU 135  -5.506  -5.598  -8.785
 1073    H    VAL 136           H        VAL 136 -10.152  -8.758  -7.600
 1074    HA   VAL 136           HA       VAL 136 -11.196 -10.246  -6.198
 1075    HB   VAL 136           HB       VAL 136 -11.652 -12.340  -7.427
 1076   1HG1  VAL 136          1HG1      VAL 136 -11.750  -9.970  -9.264
 1077   2HG1  VAL 136          2HG1      VAL 136 -12.797 -10.134  -7.856
 1078   3HG1  VAL 136          3HG1      VAL 136 -12.886 -11.315  -9.163
 1079   1HG2  VAL 136          1HG2      VAL 136  -9.569 -11.268  -9.312
 1080   2HG2  VAL 136          2HG2      VAL 136 -10.733 -12.519  -9.748
 1081   3HG2  VAL 136          3HG2      VAL 136  -9.559 -12.815  -8.464
 1082    H    PHE 137           H        PHE 137  -9.184 -10.170  -4.648
 1083    HA   PHE 137           HA       PHE 137  -7.733 -11.324  -3.245
 1084   1HB   PHE 137          2HB       PHE 137 -10.214 -12.568  -3.419
 1085   2HB   PHE 137          1HB       PHE 137  -9.087 -13.894  -3.640
 1086    HD1  PHE 137           1HD      PHE 137  -8.033 -11.123  -1.577
 1087    HD2  PHE 137           2HD      PHE 137 -10.021 -14.883  -1.556
 1088    HE1  PHE 137           1HE      PHE 137  -7.786 -11.232   0.866
 1089    HE2  PHE 137           2HE      PHE 137  -9.773 -15.000   0.887
 1090    HZ   PHE 137           HZ       PHE 137  -8.589 -13.319   2.085
 1091    HA   PRO 138           HA       PRO 138  -4.946 -13.988  -5.587
 1092   1HB   PRO 138          2HB       PRO 138  -4.100 -15.937  -4.023
 1093   2HB   PRO 138          1HB       PRO 138  -3.894 -14.259  -3.462
 1094   1HG   PRO 138          2HG       PRO 138  -6.100 -16.188  -2.792
 1095   2HG   PRO 138          1HG       PRO 138  -5.052 -15.282  -1.684
 1096   1HD   PRO 138          2HD       PRO 138  -7.501 -14.391  -2.416
 1097   2HD   PRO 138          1HD       PRO 138  -6.152 -13.284  -2.074
 1098    H    ASP 139           H        ASP 139  -7.537 -15.654  -3.950
 1099    HA   ASP 139           HA       ASP 139  -7.600 -17.823  -5.912
 1100   1HB   ASP 139          2HB       ASP 139  -9.150 -17.377  -3.355
 1101   2HB   ASP 139          1HB       ASP 139  -9.385 -18.758  -4.421
 1102    H    GLY 140           H        GLY 140  -9.786 -15.262  -4.658
 1103   1HA   GLY 140          2HA       GLY 140 -10.883 -14.449  -7.010
 1104   2HA   GLY 140          1HA       GLY 140 -11.783 -15.912  -6.662
 1105    H    GLU 141           H        GLU 141 -10.704 -13.088  -4.766
 1106    HA   GLU 141           HA       GLU 141 -13.456 -12.386  -4.150
 1107   1HB   GLU 141          2HB       GLU 141 -11.579 -13.543  -2.201
 1108   2HB   GLU 141          1HB       GLU 141 -12.388 -12.081  -1.669
 1109   1HG   GLU 141          2HG       GLU 141 -13.668 -13.896  -0.888
 1110   2HG   GLU 141          1HG       GLU 141 -14.561 -13.185  -2.231
 1111    H    MET 142           H        MET 142 -13.308 -10.334  -5.038
 1112    HA   MET 142           HA       MET 142 -11.179  -8.649  -5.185
 1113   1HB   MET 142          2HB       MET 142 -14.020  -7.816  -4.584
 1114   2HB   MET 142          1HB       MET 142 -12.760  -6.775  -5.230
 1115   1HG   MET 142          2HG       MET 142 -13.935  -7.338  -7.099
 1116   2HG   MET 142          1HG       MET 142 -12.630  -8.510  -7.130
 1117   1HE   MET 142          1HE       MET 142 -17.016  -8.894  -6.804
 1118   2HE   MET 142          2HE       MET 142 -16.021  -7.605  -6.125
 1119   3HE   MET 142          3HE       MET 142 -16.471  -8.991  -5.129
 1120    H    LEU 143           H        LEU 143  -9.964  -7.524  -3.813
 1121    HA   LEU 143           HA       LEU 143  -9.772  -7.934  -1.163
 1122   1HB   LEU 143          2HB       LEU 143  -9.141  -5.255  -1.264
 1123   2HB   LEU 143          1HB       LEU 143  -8.061  -6.597  -1.503
 1124    HG   LEU 143           HG       LEU 143  -7.882  -4.780  -3.202
 1125   1HD1  LEU 143          1HD1      LEU 143  -6.911  -6.745  -3.910
 1126   2HD1  LEU 143          2HD1      LEU 143  -8.080  -6.426  -5.193
 1127   3HD1  LEU 143          3HD1      LEU 143  -8.444  -7.617  -3.944
 1128   1HD2  LEU 143          1HD2      LEU 143  -9.529  -4.357  -4.782
 1129   2HD2  LEU 143          2HD2      LEU 143 -10.431  -4.477  -3.269
 1130   3HD2  LEU 143          3HD2      LEU 143 -10.417  -5.833  -4.398
 1131    H    ARG 144           H        ARG 144 -11.468  -5.143  -2.489
 1132    HA   ARG 144           HA       ARG 144 -12.485  -4.181  -0.117
 1133   1HB   ARG 144          2HB       ARG 144 -12.478  -2.744  -1.949
 1134   2HB   ARG 144          1HB       ARG 144 -13.316  -3.894  -2.958
 1135   1HG   ARG 144          2HG       ARG 144 -14.727  -2.804  -0.583
 1136   2HG   ARG 144          1HG       ARG 144 -14.537  -1.809  -2.020
 1137   1HD   ARG 144          2HD       ARG 144 -15.558  -3.614  -3.366
 1138   2HD   ARG 144          1HD       ARG 144 -15.848  -4.509  -1.875
 1139    HE   ARG 144           HE       ARG 144 -16.980  -1.984  -1.575
 1140   1HH1  ARG 144          1HH1      ARG 144 -17.414  -4.831  -3.541
 1141   2HH1  ARG 144          2HH1      ARG 144 -19.111  -4.573  -3.766
 1142   1HH2  ARG 144          1HH2      ARG 144 -19.211  -1.632  -1.875
 1143   2HH2  ARG 144          2HH2      ARG 144 -20.134  -2.753  -2.820
 1144    H    GLN 145           H        GLN 145 -14.182  -6.303  -2.461
 1145    HA   GLN 145           HA       GLN 145 -16.555  -6.230  -0.996
 1146   1HB   GLN 145          2HB       GLN 145 -17.236  -8.281  -2.133
 1147   2HB   GLN 145          1HB       GLN 145 -16.525  -7.128  -3.252
 1148   1HG   GLN 145          2HG       GLN 145 -15.653  -9.172  -3.883
 1149   2HG   GLN 145          1HG       GLN 145 -14.372  -8.413  -2.931
 1150   1HE2  GLN 145          1HE2      GLN 145 -13.543  -9.524  -1.384
 1151   2HE2  GLN 145          2HE2      GLN 145 -14.237 -10.882  -0.587
 1152    H    ILE 146           H        ILE 146 -13.551  -7.588  -0.214
 1153    HA   ILE 146           HA       ILE 146 -14.508  -9.527   1.716
 1154    HB   ILE 146           HB       ILE 146 -11.778  -8.257   1.761
 1155   1HG1  ILE 146          2HG1      ILE 146 -12.302 -10.794   0.253
 1156   2HG1  ILE 146          1HG1      ILE 146 -12.445  -9.230  -0.546
 1157   1HG2  ILE 146          1HG2      ILE 146 -12.383  -9.617   3.667
 1158   2HG2  ILE 146          2HG2      ILE 146 -11.122 -10.414   2.726
 1159   3HG2  ILE 146          3HG2      ILE 146 -12.794 -10.963   2.606
 1160   1HD1  ILE 146          1HD1      ILE 146 -10.006 -10.341   0.807
 1161   2HD1  ILE 146          2HD1      ILE 146 -10.139  -8.708   0.143
 1162   3HD1  ILE 146          3HD1      ILE 146 -10.251 -10.117  -0.926
 1163    H    LEU 147           H        LEU 147 -13.070  -6.264   1.705
 1164    HA   LEU 147           HA       LEU 147 -13.372  -6.014   4.567
 1165   1HB   LEU 147          2HB       LEU 147 -11.978  -4.272   4.425
 1166   2HB   LEU 147          1HB       LEU 147 -11.663  -4.900   2.833
 1167    HG   LEU 147           HG       LEU 147 -11.800  -2.577   2.654
 1168   1HD1  LEU 147          1HD1      LEU 147 -12.862  -2.678   0.754
 1169   2HD1  LEU 147          2HD1      LEU 147 -14.417  -2.675   1.595
 1170   3HD1  LEU 147          3HD1      LEU 147 -13.590  -4.196   1.270
 1171   1HD2  LEU 147          1HD2      LEU 147 -13.107  -2.286   4.805
 1172   2HD2  LEU 147          2HD2      LEU 147 -14.557  -2.502   3.825
 1173   3HD2  LEU 147          3HD2      LEU 147 -13.462  -1.161   3.493
 1174    H    HIS 148           H        HIS 148 -15.368  -5.743   1.976
 1175    HA   HIS 148           HA       HIS 148 -17.097  -3.670   2.955
 1176   1HB   HIS 148          2HB       HIS 148 -16.913  -4.155   0.558
 1177   2HB   HIS 148          1HB       HIS 148 -17.488  -5.804   0.824
 1178    HD1  HIS 148           1HD      HIS 148 -19.260  -4.740  -1.063
 1179    HD2  HIS 148           2HD      HIS 148 -19.643  -3.518   2.890
 1180    HE1  HIS 148           1HE      HIS 148 -21.586  -3.797  -0.875
 1181    HE2  HIS 148           2HE      HIS 148 -21.781  -3.025   1.516
 1182    H    THR 149           H        THR 149 -16.822  -7.146   3.030
 1183    HA   THR 149           HA       THR 149 -19.280  -7.359   4.623
 1184    HB   THR 149           HB       THR 149 -19.000  -9.810   4.286
 1185    HG1  THR 149           1HG      THR 149 -16.828 -10.010   3.959
 1186   1HG2  THR 149          1HG2      THR 149 -20.052  -8.083   2.536
 1187   2HG2  THR 149          2HG2      THR 149 -20.003  -9.825   2.275
 1188   3HG2  THR 149          3HG2      THR 149 -18.783  -8.788   1.536
 1189    H    ARG 150           H        ARG 150 -15.870  -7.338   4.984
 1190    HA   ARG 150           HA       ARG 150 -16.133  -8.541   7.656
 1191   1HB   ARG 150          2HB       ARG 150 -13.726  -8.401   5.848
 1192   2HB   ARG 150          1HB       ARG 150 -13.677  -8.971   7.510
 1193   1HG   ARG 150          2HG       ARG 150 -15.327 -10.197   5.307
 1194   2HG   ARG 150          1HG       ARG 150 -13.766 -10.800   5.873
 1195   1HD   ARG 150          2HD       ARG 150 -14.726 -11.112   8.118
 1196   2HD   ARG 150          1HD       ARG 150 -16.286 -10.557   7.515
 1197    HE   ARG 150           HE       ARG 150 -15.254 -13.166   7.308
 1198   1HH1  ARG 150          1HH1      ARG 150 -16.987 -10.797   5.429
 1199   2HH1  ARG 150          2HH1      ARG 150 -17.783 -11.974   4.441
 1200   1HH2  ARG 150          1HH2      ARG 150 -16.300 -14.722   6.013
 1201   2HH2  ARG 150          2HH2      ARG 150 -17.394 -14.205   4.773
 1202    H    ALA 151           H        ALA 151 -14.860  -5.734   5.909
 1203    HA   ALA 151           HA       ALA 151 -13.993  -4.635   8.495
 1204   1HB   ALA 151          1HB       ALA 151 -12.214  -4.634   6.931
 1205   2HB   ALA 151          2HB       ALA 151 -12.749  -2.964   7.111
 1206   3HB   ALA 151          3HB       ALA 151 -13.220  -3.893   5.688
 1207    H    PHE 152           H        PHE 152 -14.525  -2.435   5.885
 1208    HA   PHE 152           HA       PHE 152 -16.843  -1.355   7.341
 1209   1HB   PHE 152          2HB       PHE 152 -14.844   0.088   7.371
 1210   2HB   PHE 152          1HB       PHE 152 -14.832   0.102   5.612
 1211    HD1  PHE 152           1HD      PHE 152 -15.360   2.200   4.871
 1212    HD2  PHE 152           2HD      PHE 152 -17.562   0.555   8.119
 1213    HE1  PHE 152           1HE      PHE 152 -16.820   4.182   4.879
 1214    HE2  PHE 152           2HE      PHE 152 -19.028   2.530   8.133
 1215    HZ   PHE 152           HZ       PHE 152 -18.657   4.347   6.511
 1216    H    ASP 153           H        ASP 153 -15.879  -0.148   4.234
 1217    HA   ASP 153           HA       ASP 153 -17.441  -1.723   2.537
 1218   1HB   ASP 153          2HB       ASP 153 -19.310  -0.831   3.930
 1219   2HB   ASP 153          1HB       ASP 153 -18.856   0.797   3.444
 1220    H    LYS 154           H        LYS 154 -15.875   1.246   3.345
 1221    HA   LYS 154           HA       LYS 154 -14.784   1.520   0.728
 1222   1HB   LYS 154          2HB       LYS 154 -16.990   2.420   0.255
 1223   2HB   LYS 154          1HB       LYS 154 -16.868   3.521   1.617
 1224   1HG   LYS 154          2HG       LYS 154 -14.900   4.572   0.443
 1225   2HG   LYS 154          1HG       LYS 154 -15.344   3.605  -0.969
 1226   1HD   LYS 154          2HD       LYS 154 -17.547   4.617  -0.997
 1227   2HD   LYS 154          1HD       LYS 154 -17.165   5.536   0.458
 1228   1HE   LYS 154          2HE       LYS 154 -16.942   6.982  -1.443
 1229   2HE   LYS 154          1HE       LYS 154 -15.336   6.653  -0.794
 1230   1HZ   LYS 154          1HZ       LYS 154 -14.731   5.526  -2.628
 1231   2HZ   LYS 154          2HZ       LYS 154 -15.938   6.451  -3.365
 1232   3HZ   LYS 154          3HZ       LYS 154 -16.264   4.862  -2.885
 1233    H    LEU 155           H        LEU 155 -15.516   4.435   2.365
 1234    HA   LEU 155           HA       LEU 155 -14.103   5.130   4.369
 1235   1HB   LEU 155          2HB       LEU 155 -12.077   4.251   2.372
 1236   2HB   LEU 155          1HB       LEU 155 -11.720   5.708   3.278
 1237    HG   LEU 155           HG       LEU 155 -12.229   2.960   4.441
 1238   1HD1  LEU 155          1HD1      LEU 155  -9.809   3.620   5.298
 1239   2HD1  LEU 155          2HD1      LEU 155  -9.813   4.552   3.801
 1240   3HD1  LEU 155          3HD1      LEU 155 -10.073   2.809   3.754
 1241   1HD2  LEU 155          1HD2      LEU 155 -11.636   5.581   5.815
 1242   2HD2  LEU 155          2HD2      LEU 155 -11.651   4.000   6.595
 1243   3HD2  LEU 155          3HD2      LEU 155 -13.137   4.660   5.915
 1244    H    ASN 156           H        ASN 156 -12.429   7.256   3.747
 1245    HA   ASN 156           HA       ASN 156 -14.080   8.847   1.891
 1246   1HB   ASN 156          2HB       ASN 156 -12.856   9.687   4.526
 1247   2HB   ASN 156          1HB       ASN 156 -13.555  10.813   3.369
 1248   1HD2  ASN 156          1HD2      ASN 156 -15.422   8.225   2.978
 1249   2HD2  ASN 156          2HD2      ASN 156 -16.644   8.526   4.157
 1250    H    LYS 157           H        LYS 157 -12.934   9.459   0.164
 1251    HA   LYS 157           HA       LYS 157 -10.204   9.138  -0.172
 1252   1HB   LYS 157          2HB       LYS 157 -12.177  10.935  -1.559
 1253   2HB   LYS 157          1HB       LYS 157 -10.482  10.922  -2.012
 1254   1HG   LYS 157          2HG       LYS 157 -11.754   9.500  -3.486
 1255   2HG   LYS 157          1HG       LYS 157 -10.644   8.530  -2.517
 1256   1HD   LYS 157          2HD       LYS 157 -12.476   7.914  -1.024
 1257   2HD   LYS 157          1HD       LYS 157 -13.590   8.904  -1.972
 1258   1HE   LYS 157          2HE       LYS 157 -12.062   6.502  -2.970
 1259   2HE   LYS 157          1HE       LYS 157 -13.775   6.539  -2.558
 1260   1HZ   LYS 157          1HZ       LYS 157 -12.826   6.927  -5.020
 1261   2HZ   LYS 157          2HZ       LYS 157 -12.916   8.529  -4.483
 1262   3HZ   LYS 157          3HZ       LYS 157 -14.299   7.556  -4.474
 1263    H    TRP 158           H        TRP 158  -9.064   9.896   1.574
 1264    HA   TRP 158           HA       TRP 158  -7.985  11.357   2.928
 1265   1HB   TRP 158          2HB       TRP 158  -6.955  11.866   0.717
 1266   2HB   TRP 158          1HB       TRP 158  -8.141  13.144   0.487
 1267    HD1  TRP 158           HD       TRP 158  -5.971  12.408   3.624
 1268    HE1  TRP 158           1HE      TRP 158  -4.653  14.547   4.186
 1269    HE3  TRP 158           3HE      TRP 158  -7.464  15.337  -0.291
 1270    HZ2  TRP 158           2HZ      TRP 158  -4.297  17.133   3.114
 1271    HZ3  TRP 158           3HZ      TRP 158  -6.589  17.630  -0.450
 1272    HH2  TRP 158           HH       TRP 158  -5.038  18.510   1.219
  Start of MODEL   21
    1   1H    THR   1          1HT       THR   1   4.212  -9.775 -14.715
    2   2H    THR   1          2HT       THR   1   3.692  -8.176 -14.531
    3   3H    THR   1          3HT       THR   1   2.884  -9.210 -15.599
    4    HA   THR   1           HA       THR   1   1.587 -10.026 -14.027
    5    HB   THR   1           HB       THR   1   4.099 -10.181 -12.348
    6    HG1  THR   1           1HG      THR   1   4.082 -12.341 -12.973
    7   1HG2  THR   1          1HG2      THR   1   2.041 -10.226 -10.967
    8   2HG2  THR   1          2HG2      THR   1   2.972 -11.725 -10.916
    9   3HG2  THR   1          3HG2      THR   1   1.506 -11.631 -11.890
   10    H    VAL   2           H        VAL   2   0.208  -8.426 -13.530
   11    HA   VAL   2           HA       VAL   2   0.954  -6.018 -12.224
   12    HB   VAL   2           HB       VAL   2  -1.812  -7.208 -12.520
   13   1HG1  VAL   2          1HG1      VAL   2  -2.320  -4.635 -12.488
   14   2HG1  VAL   2          2HG1      VAL   2  -0.795  -4.558 -11.607
   15   3HG1  VAL   2          3HG1      VAL   2  -2.125  -5.530 -10.980
   16   1HG2  VAL   2          1HG2      VAL   2  -0.021  -6.220 -14.486
   17   2HG2  VAL   2          2HG2      VAL   2  -1.334  -5.056 -14.310
   18   3HG2  VAL   2          3HG2      VAL   2  -1.693  -6.742 -14.686
   19    H    ALA   3           H        ALA   3   1.781  -6.165 -10.222
   20    HA   ALA   3           HA       ALA   3   0.486  -7.900  -8.256
   21   1HB   ALA   3          1HB       ALA   3   2.461  -7.972  -7.116
   22   2HB   ALA   3          2HB       ALA   3   2.936  -6.348  -7.612
   23   3HB   ALA   3          3HB       ALA   3   3.066  -7.691  -8.748
   24    H    TYR   4           H        TYR   4  -0.445  -7.168  -6.403
   25    HA   TYR   4           HA       TYR   4  -1.255  -4.390  -6.387
   26   1HB   TYR   4          2HB       TYR   4  -2.999  -5.955  -5.988
   27   2HB   TYR   4          1HB       TYR   4  -2.061  -6.791  -4.758
   28    HD1  TYR   4           1HD      TYR   4  -2.340  -3.107  -4.931
   29    HD2  TYR   4           2HD      TYR   4  -3.716  -6.665  -3.047
   30    HE1  TYR   4           1HE      TYR   4  -3.415  -1.758  -3.180
   31    HE2  TYR   4           2HE      TYR   4  -4.796  -5.325  -1.293
   32    HH   TYR   4           HH       TYR   4  -5.400  -3.254  -0.671
   33    H    ILE   5           H        ILE   5   0.259  -3.071  -5.670
   34    HA   ILE   5           HA       ILE   5   1.711  -3.615  -3.195
   35    HB   ILE   5           HB       ILE   5   2.218  -1.097  -4.668
   36   1HG1  ILE   5          2HG1      ILE   5   2.977  -3.781  -5.855
   37   2HG1  ILE   5          1HG1      ILE   5   1.809  -2.659  -6.526
   38   1HG2  ILE   5          1HG2      ILE   5   4.063  -1.231  -3.449
   39   2HG2  ILE   5          2HG2      ILE   5   4.515  -2.728  -4.264
   40   3HG2  ILE   5          3HG2      ILE   5   3.523  -2.783  -2.806
   41   1HD1  ILE   5          1HD1      ILE   5   3.926  -2.518  -7.693
   42   2HD1  ILE   5          2HD1      ILE   5   4.755  -2.155  -6.179
   43   3HD1  ILE   5          3HD1      ILE   5   3.588  -1.011  -6.843
   44    H    ALA   6           H        ALA   6   1.490  -2.333  -1.391
   45    HA   ALA   6           HA       ALA   6  -0.718  -0.385  -1.450
   46   1HB   ALA   6          1HB       ALA   6  -1.482  -1.250   0.457
   47   2HB   ALA   6          2HB       ALA   6   0.118  -1.225   1.200
   48   3HB   ALA   6          3HB       ALA   6  -0.363  -2.584   0.183
   49    H    ILE   7           H        ILE   7  -0.323   1.713  -1.004
   50    HA   ILE   7           HA       ILE   7   2.339   2.384   0.084
   51    HB   ILE   7           HB       ILE   7   0.649   3.947  -1.867
   52   1HG1  ILE   7          2HG1      ILE   7   3.393   2.686  -2.081
   53   2HG1  ILE   7          1HG1      ILE   7   1.927   2.145  -2.894
   54   1HG2  ILE   7          1HG2      ILE   7   1.537   5.623  -0.522
   55   2HG2  ILE   7          2HG2      ILE   7   2.719   5.487  -1.824
   56   3HG2  ILE   7          3HG2      ILE   7   3.045   4.747  -0.256
   57   1HD1  ILE   7          1HD1      ILE   7   1.864   4.235  -4.158
   58   2HD1  ILE   7          2HD1      ILE   7   3.373   3.356  -4.415
   59   3HD1  ILE   7          3HD1      ILE   7   3.340   4.762  -3.350
   60    H    GLY   8           H        GLY   8   2.050   2.801   2.193
   61   1HA   GLY   8          2HA       GLY   8  -0.225   4.509   2.971
   62   2HA   GLY   8          1HA       GLY   8   0.608   3.396   4.046
   63    H    SER   9           H        SER   9   0.185   6.563   3.415
   64    HA   SER   9           HA       SER   9   2.896   7.277   4.316
   65   1HB   SER   9          2HB       SER   9   2.496   9.506   3.346
   66   2HB   SER   9          1HB       SER   9   2.344   8.238   2.131
   67    HG   SER   9           HG       SER   9   0.147   8.448   2.188
   68    H    ASN  10           H        ASN  10   3.037   7.829   6.363
   69    HA   ASN  10           HA       ASN  10   0.748   9.168   7.651
   70   1HB   ASN  10          2HB       ASN  10   1.018   6.840   8.456
   71   2HB   ASN  10          1HB       ASN  10   2.668   7.214   8.945
   72   1HD2  ASN  10          1HD2      ASN  10  -0.355   6.825  10.062
   73   2HD2  ASN  10          2HD2      ASN  10  -0.289   7.814  11.477
   74    H    LEU  11           H        LEU  11   1.420  11.241   7.618
   75    HA   LEU  11           HA       LEU  11   3.446  12.106   9.411
   76   1HB   LEU  11          2HB       LEU  11   4.661  11.234   7.271
   77   2HB   LEU  11          1HB       LEU  11   4.073  12.706   6.531
   78    HG   LEU  11           HG       LEU  11   5.809  12.686   8.999
   79   1HD1  LEU  11          1HD1      LEU  11   6.503  12.578   6.099
   80   2HD1  LEU  11          2HD1      LEU  11   7.259  11.766   7.469
   81   3HD1  LEU  11          3HD1      LEU  11   7.530  13.487   7.206
   82   1HD2  LEU  11          1HD2      LEU  11   5.029  14.811   8.986
   83   2HD2  LEU  11          2HD2      LEU  11   4.608  14.762   7.275
   84   3HD2  LEU  11          3HD2      LEU  11   6.281  15.021   7.763
   85    H    ALA  12           H        ALA  12   3.487  14.475   9.547
   86    HA   ALA  12           HA       ALA  12   1.070  15.737   9.428
   87   1HB   ALA  12          1HB       ALA  12   2.191  17.511  10.204
   88   2HB   ALA  12          2HB       ALA  12   3.235  17.581   8.785
   89   3HB   ALA  12          3HB       ALA  12   3.626  16.490  10.116
   90    H    SER  13           H        SER  13   3.398  15.320   6.866
   91    HA   SER  13           HA       SER  13   1.444  16.362   4.935
   92   1HB   SER  13          2HB       SER  13   3.236  18.033   5.172
   93   2HB   SER  13          1HB       SER  13   4.444  16.793   4.839
   94    HG   SER  13           HG       SER  13   2.709  18.103   3.112
   95    HA   PRO  14           HA       PRO  14   2.458  11.917   4.127
   96   1HB   PRO  14          2HB       PRO  14  -0.168  12.191   2.766
   97   2HB   PRO  14          1HB       PRO  14   0.404  10.938   3.872
   98   1HG   PRO  14          2HG       PRO  14  -1.342  12.767   4.692
   99   2HG   PRO  14          1HG       PRO  14  -0.034  12.218   5.760
  100   1HD   PRO  14          2HD       PRO  14  -0.256  14.750   4.180
  101   2HD   PRO  14          1HD       PRO  14   0.373  14.497   5.821
  102    H    LEU  15           H        LEU  15   1.418  14.501   1.992
  103    HA   LEU  15           HA       LEU  15   1.693  13.305  -0.480
  104   1HB   LEU  15          2HB       LEU  15   0.820  15.560  -0.173
  105   2HB   LEU  15          1HB       LEU  15   2.405  16.128   0.310
  106    HG   LEU  15           HG       LEU  15   3.264  15.640  -1.948
  107   1HD1  LEU  15          1HD1      LEU  15   1.906  14.905  -3.713
  108   2HD1  LEU  15          2HD1      LEU  15   0.424  15.147  -2.786
  109   3HD1  LEU  15          3HD1      LEU  15   1.524  13.832  -2.365
  110   1HD2  LEU  15          1HD2      LEU  15   2.082  17.831  -1.206
  111   2HD2  LEU  15          2HD2      LEU  15   0.810  17.308  -2.311
  112   3HD2  LEU  15          3HD2      LEU  15   2.447  17.574  -2.914
  113    H    GLU  16           H        GLU  16   4.180  14.292   1.749
  114    HA   GLU  16           HA       GLU  16   6.322  14.312  -0.121
  115   1HB   GLU  16          2HB       GLU  16   6.398  13.952   2.877
  116   2HB   GLU  16          1HB       GLU  16   7.775  14.334   1.854
  117   1HG   GLU  16          2HG       GLU  16   5.349  16.073   2.245
  118   2HG   GLU  16          1HG       GLU  16   6.913  16.297   3.025
  119    H    GLN  17           H        GLN  17   5.632  11.958   2.498
  120    HA   GLN  17           HA       GLN  17   7.489  10.086   1.493
  121   1HB   GLN  17          2HB       GLN  17   5.227   9.755   3.454
  122   2HB   GLN  17          1HB       GLN  17   6.389   8.487   3.076
  123   1HG   GLN  17          2HG       GLN  17   8.167  10.241   3.704
  124   2HG   GLN  17          1HG       GLN  17   6.830  11.090   4.478
  125   1HE2  GLN  17          1HE2      GLN  17   9.238   8.886   4.904
  126   2HE2  GLN  17          2HE2      GLN  17   8.664   8.110   6.335
  127    H    VAL  18           H        VAL  18   3.964  10.332   1.099
  128    HA   VAL  18           HA       VAL  18   3.507   7.892  -0.123
  129    HB   VAL  18           HB       VAL  18   1.711   9.528   0.423
  130   1HG1  VAL  18          1HG1      VAL  18   1.302  11.450  -0.752
  131   2HG1  VAL  18          2HG1      VAL  18   2.123  10.868  -2.202
  132   3HG1  VAL  18          3HG1      VAL  18   3.066  11.408  -0.811
  133   1HG2  VAL  18          1HG2      VAL  18   0.245   8.727  -1.176
  134   2HG2  VAL  18          2HG2      VAL  18   1.558   7.553  -1.250
  135   3HG2  VAL  18          3HG2      VAL  18   1.440   8.822  -2.470
  136    H    ASN  19           H        ASN  19   4.629  10.928  -1.592
  137    HA   ASN  19           HA       ASN  19   4.827   9.896  -4.225
  138   1HB   ASN  19          2HB       ASN  19   6.160  12.276  -2.920
  139   2HB   ASN  19          1HB       ASN  19   6.247  11.916  -4.641
  140   1HD2  ASN  19          1HD2      ASN  19   3.288  10.883  -3.738
  141   2HD2  ASN  19          2HD2      ASN  19   2.366  12.307  -4.053
  142    H    ALA  20           H        ALA  20   6.814   9.604  -1.424
  143    HA   ALA  20           HA       ALA  20   9.337   9.244  -2.581
  144   1HB   ALA  20          1HB       ALA  20   8.640   9.344  -0.083
  145   2HB   ALA  20          2HB       ALA  20  10.015   8.342  -0.550
  146   3HB   ALA  20          3HB       ALA  20   8.445   7.599  -0.242
  147    H    ALA  21           H        ALA  21   6.869   6.824  -1.743
  148    HA   ALA  21           HA       ALA  21   8.234   4.643  -2.931
  149   1HB   ALA  21          1HB       ALA  21   5.944   3.558  -2.878
  150   2HB   ALA  21          2HB       ALA  21   5.341   5.066  -2.189
  151   3HB   ALA  21          3HB       ALA  21   6.561   4.128  -1.327
  152    H    LEU  22           H        LEU  22   6.214   7.187  -4.110
  153    HA   LEU  22           HA       LEU  22   5.327   6.029  -6.521
  154   1HB   LEU  22          2HB       LEU  22   5.523   8.747  -5.389
  155   2HB   LEU  22          1HB       LEU  22   5.467   8.661  -7.137
  156    HG   LEU  22           HG       LEU  22   3.245   8.997  -6.062
  157   1HD1  LEU  22          1HD1      LEU  22   3.499   6.388  -7.548
  158   2HD1  LEU  22          2HD1      LEU  22   3.494   7.983  -8.302
  159   3HD1  LEU  22          3HD1      LEU  22   2.066   7.411  -7.440
  160   1HD2  LEU  22          1HD2      LEU  22   4.119   6.895  -4.401
  161   2HD2  LEU  22          2HD2      LEU  22   2.744   6.287  -5.323
  162   3HD2  LEU  22          3HD2      LEU  22   2.577   7.751  -4.356
  163    H    LYS  23           H        LYS  23   8.189   8.037  -5.795
  164    HA   LYS  23           HA       LYS  23   9.219   8.160  -8.389
  165   1HB   LYS  23          2HB       LYS  23  10.443   8.332  -5.665
  166   2HB   LYS  23          1HB       LYS  23  11.504   8.188  -7.059
  167   1HG   LYS  23          2HG       LYS  23  11.191  10.513  -6.414
  168   2HG   LYS  23          1HG       LYS  23  10.541  10.204  -8.024
  169   1HD   LYS  23          2HD       LYS  23   8.285  10.040  -7.065
  170   2HD   LYS  23          1HD       LYS  23   8.950  10.382  -5.466
  171   1HE   LYS  23          2HE       LYS  23   7.998  12.395  -6.436
  172   2HE   LYS  23          1HE       LYS  23   9.747  12.558  -6.275
  173   1HZ   LYS  23          1HZ       LYS  23   9.596  13.232  -8.395
  174   2HZ   LYS  23          2HZ       LYS  23   8.109  12.474  -8.663
  175   3HZ   LYS  23          3HZ       LYS  23   9.541  11.580  -8.750
  176    H    ALA  24           H        ALA  24   9.462   5.684  -5.908
  177    HA   ALA  24           HA       ALA  24  11.203   4.012  -7.467
  178   1HB   ALA  24          1HB       ALA  24  10.515   4.189  -4.769
  179   2HB   ALA  24          2HB       ALA  24  11.551   2.977  -5.522
  180   3HB   ALA  24          3HB       ALA  24   9.829   2.658  -5.316
  181    H    LEU  25           H        LEU  25   7.783   4.446  -6.962
  182    HA   LEU  25           HA       LEU  25   6.936   1.941  -7.943
  183   1HB   LEU  25          2HB       LEU  25   5.482   3.603  -6.719
  184   2HB   LEU  25          1HB       LEU  25   5.396   4.523  -8.215
  185    HG   LEU  25           HG       LEU  25   4.406   2.517  -9.330
  186   1HD1  LEU  25          1HD1      LEU  25   3.648   0.666  -8.012
  187   2HD1  LEU  25          2HD1      LEU  25   4.231   1.419  -6.528
  188   3HD1  LEU  25          3HD1      LEU  25   5.380   0.873  -7.750
  189   1HD2  LEU  25          1HD2      LEU  25   2.918   3.463  -6.871
  190   2HD2  LEU  25          2HD2      LEU  25   2.210   2.796  -8.342
  191   3HD2  LEU  25          3HD2      LEU  25   3.031   4.357  -8.387
  192    H    GLY  26           H        GLY  26   8.429   4.552  -9.369
  193   1HA   GLY  26          2HA       GLY  26   7.629   3.833 -12.109
  194   2HA   GLY  26          1HA       GLY  26   8.743   5.145 -11.651
  195    H    ASP  27           H        ASP  27   8.302   1.992 -10.589
  196    HA   ASP  27           HA       ASP  27  10.706   1.251  -9.807
  197   1HB   ASP  27          2HB       ASP  27   8.285  -0.241 -10.632
  198   2HB   ASP  27          1HB       ASP  27   9.737  -1.137 -10.218
  199    H    ILE  28           H        ILE  28  11.647  -0.584 -10.207
  200    HA   ILE  28           HA       ILE  28  13.672  -0.666 -11.848
  201    HB   ILE  28           HB       ILE  28  13.050  -3.354 -11.619
  202   1HG1  ILE  28          2HG1      ILE  28  10.931  -2.414 -10.411
  203   2HG1  ILE  28          1HG1      ILE  28  11.815  -3.739  -9.663
  204   1HG2  ILE  28          1HG2      ILE  28  14.532  -3.300  -9.672
  205   2HG2  ILE  28          2HG2      ILE  28  14.364  -1.545  -9.595
  206   3HG2  ILE  28          3HG2      ILE  28  15.149  -2.295 -10.984
  207   1HD1  ILE  28          1HD1      ILE  28  12.979  -1.475  -8.585
  208   2HD1  ILE  28          2HD1      ILE  28  11.780  -2.509  -7.812
  209   3HD1  ILE  28          3HD1      ILE  28  11.265  -1.066  -8.688
  210    HA   PRO  29           HA       PRO  29  12.885  -1.755 -16.031
  211   1HB   PRO  29          2HB       PRO  29  14.739  -4.050 -15.740
  212   2HB   PRO  29          1HB       PRO  29  14.830  -2.664 -16.830
  213   1HG   PRO  29          2HG       PRO  29  16.458  -2.876 -14.711
  214   2HG   PRO  29          1HG       PRO  29  15.825  -1.307 -15.240
  215   1HD   PRO  29          2HD       PRO  29  14.975  -3.024 -12.943
  216   2HD   PRO  29          1HD       PRO  29  15.100  -1.253 -13.059
  217    H    GLU  30           H        GLU  30  12.778  -4.244 -13.603
  218    HA   GLU  30           HA       GLU  30  11.324  -6.118 -15.250
  219   1HB   GLU  30          2HB       GLU  30  11.983  -6.106 -12.302
  220   2HB   GLU  30          1HB       GLU  30  11.187  -7.429 -13.136
  221   1HG   GLU  30          2HG       GLU  30  13.939  -6.395 -13.770
  222   2HG   GLU  30          1HG       GLU  30  13.589  -7.812 -12.782
  223    H    SER  31           H        SER  31  10.666  -3.707 -12.806
  224    HA   SER  31           HA       SER  31   7.847  -4.419 -12.697
  225   1HB   SER  31          2HB       SER  31   9.382  -2.263 -11.235
  226   2HB   SER  31          1HB       SER  31   7.703  -2.713 -10.938
  227    HG   SER  31           HG       SER  31   9.940  -4.434 -10.655
  228    H    HIS  32           H        HIS  32   6.339  -2.359 -12.664
  229    HA   HIS  32           HA       HIS  32   6.996  -0.137 -14.245
  230   1HB   HIS  32          2HB       HIS  32   7.207  -1.818 -16.036
  231   2HB   HIS  32          1HB       HIS  32   5.556  -2.333 -15.735
  232    HD1  HIS  32           1HD      HIS  32   3.714  -0.335 -16.135
  233    HD2  HIS  32           2HD      HIS  32   7.421   0.074 -17.961
  234    HE1  HIS  32           1HE      HIS  32   3.380   1.369 -17.953
  235    HE2  HIS  32           2HE      HIS  32   5.601   1.488 -19.136
  236    H    ILE  33           H        ILE  33   5.577   1.353 -13.650
  237    HA   ILE  33           HA       ILE  33   3.385   0.935 -12.039
  238    HB   ILE  33           HB       ILE  33   4.629   3.130 -13.316
  239   1HG1  ILE  33          2HG1      ILE  33   4.159   2.727 -10.890
  240   2HG1  ILE  33          1HG1      ILE  33   3.740   4.350 -11.441
  241   1HG2  ILE  33          1HG2      ILE  33   2.787   3.238 -14.887
  242   2HG2  ILE  33          2HG2      ILE  33   2.691   4.591 -13.758
  243   3HG2  ILE  33          3HG2      ILE  33   1.622   3.201 -13.563
  244   1HD1  ILE  33          1HD1      ILE  33   1.484   2.632 -11.729
  245   2HD1  ILE  33          2HD1      ILE  33   1.671   4.075 -10.734
  246   3HD1  ILE  33          3HD1      ILE  33   2.130   2.497 -10.094
  247    H    LEU  34           H        LEU  34   1.131   0.905 -12.356
  248    HA   LEU  34           HA       LEU  34   0.164   0.637 -15.096
  249   1HB   LEU  34          2HB       LEU  34   0.821  -1.623 -14.231
  250   2HB   LEU  34          1HB       LEU  34  -0.405  -1.454 -12.995
  251    HG   LEU  34           HG       LEU  34  -1.064  -2.879 -14.940
  252   1HD1  LEU  34          1HD1      LEU  34  -2.619  -1.379 -13.435
  253   2HD1  LEU  34          2HD1      LEU  34  -3.256  -2.280 -14.810
  254   3HD1  LEU  34          3HD1      LEU  34  -2.914  -0.556 -14.966
  255   1HD2  LEU  34          1HD2      LEU  34  -0.386  -0.407 -16.370
  256   2HD2  LEU  34          2HD2      LEU  34  -1.897  -1.168 -16.867
  257   3HD2  LEU  34          3HD2      LEU  34  -0.388  -2.081 -16.924
  258    H    THR  35           H        THR  35  -0.842   0.491 -11.658
  259    HA   THR  35           HA       THR  35  -2.901   2.470 -12.238
  260    HB   THR  35           HB       THR  35  -4.508   0.959 -10.808
  261    HG1  THR  35           1HG      THR  35  -3.674  -1.250 -12.020
  262   1HG2  THR  35          1HG2      THR  35  -4.533  -0.361 -13.334
  263   2HG2  THR  35          2HG2      THR  35  -4.205   1.355 -13.576
  264   3HG2  THR  35          3HG2      THR  35  -5.646   0.847 -12.693
  265    H    VAL  36           H        VAL  36  -3.053   3.925 -10.682
  266    HA   VAL  36           HA       VAL  36  -2.767   3.238  -7.912
  267    HB   VAL  36           HB       VAL  36  -0.405   3.461  -8.444
  268   1HG1  VAL  36          1HG1      VAL  36  -1.073   6.246  -9.376
  269   2HG1  VAL  36          2HG1      VAL  36  -0.640   4.894 -10.424
  270   3HG1  VAL  36          3HG1      VAL  36   0.538   5.534  -9.277
  271   1HG2  VAL  36          1HG2      VAL  36   0.164   5.304  -6.869
  272   2HG2  VAL  36          2HG2      VAL  36  -1.070   4.202  -6.258
  273   3HG2  VAL  36          3HG2      VAL  36  -1.534   5.784  -6.886
  274    H    SER  37           H        SER  37  -4.395   4.295  -7.030
  275    HA   SER  37           HA       SER  37  -4.623   7.118  -7.136
  276   1HB   SER  37          2HB       SER  37  -6.797   7.287  -8.296
  277   2HB   SER  37          1HB       SER  37  -5.539   6.675  -9.372
  278    HG   SER  37           HG       SER  37  -7.718   5.565  -9.239
  279    H    SER  38           H        SER  38  -7.488   7.184  -6.702
  280    HA   SER  38           HA       SER  38  -8.968   7.034  -4.989
  281   1HB   SER  38          2HB       SER  38  -7.674   4.320  -4.640
  282   2HB   SER  38          1HB       SER  38  -9.175   4.824  -3.864
  283    HG   SER  38           HG       SER  38  -9.819   5.290  -6.180
  284    H    PHE  39           H        PHE  39  -7.248   8.722  -4.228
  285    HA   PHE  39           HA       PHE  39  -5.643   7.988  -1.972
  286   1HB   PHE  39          2HB       PHE  39  -6.517  10.695  -3.007
  287   2HB   PHE  39          1HB       PHE  39  -5.388  10.464  -1.678
  288    HD1  PHE  39           1HD      PHE  39  -5.723   8.892  -5.059
  289    HD2  PHE  39           2HD      PHE  39  -3.273  11.041  -2.321
  290    HE1  PHE  39           1HE      PHE  39  -3.855   8.792  -6.657
  291    HE2  PHE  39           2HE      PHE  39  -1.402  10.944  -3.913
  292    HZ   PHE  39           HZ       PHE  39  -1.690   9.820  -6.086
  293    H    TYR  40           H        TYR  40  -6.735   7.196  -0.256
  294    HA   TYR  40           HA       TYR  40  -9.165   8.583   0.618
  295   1HB   TYR  40          2HB       TYR  40  -9.721   6.609   1.835
  296   2HB   TYR  40          1HB       TYR  40  -9.138   6.072   0.261
  297    HD1  TYR  40           1HD      TYR  40  -7.261   4.651   0.082
  298    HD2  TYR  40           2HD      TYR  40  -8.171   6.485   3.809
  299    HE1  TYR  40           1HE      TYR  40  -5.569   3.250   1.185
  300    HE2  TYR  40           2HE      TYR  40  -6.485   5.093   4.919
  301    HH   TYR  40           HH       TYR  40  -4.418   2.900   3.078
  302    H    ARG  41           H        ARG  41  -9.462   8.418   3.083
  303    HA   ARG  41           HA       ARG  41  -7.014   9.273   4.478
  304   1HB   ARG  41          2HB       ARG  41  -8.500  11.199   3.897
  305   2HB   ARG  41          1HB       ARG  41  -9.782  10.442   4.835
  306   1HG   ARG  41          2HG       ARG  41  -8.403  10.613   6.851
  307   2HG   ARG  41          1HG       ARG  41  -7.129  11.390   5.906
  308   1HD   ARG  41          2HD       ARG  41  -8.443  13.059   7.086
  309   2HD   ARG  41          1HD       ARG  41  -8.672  13.214   5.344
  310    HE   ARG  41           HE       ARG  41 -10.686  11.560   6.390
  311   1HH1  ARG  41          1HH1      ARG  41  -9.672  14.895   6.405
  312   2HH1  ARG  41          2HH1      ARG  41 -11.271  15.513   6.657
  313   1HH2  ARG  41          1HH2      ARG  41 -12.792  12.365   6.719
  314   2HH2  ARG  41          2HH2      ARG  41 -13.043  14.075   6.835
  315    H    THR  42           H        THR  42  -7.016   8.838   6.774
  316    HA   THR  42           HA       THR  42  -9.171   7.259   7.874
  317    HB   THR  42           HB       THR  42  -6.429   6.060   7.459
  318    HG1  THR  42           1HG      THR  42  -8.999   5.334   6.511
  319   1HG2  THR  42          1HG2      THR  42  -8.652   4.476   8.601
  320   2HG2  THR  42          2HG2      THR  42  -7.781   5.571   9.675
  321   3HG2  THR  42          3HG2      THR  42  -6.910   4.305   8.809
  322    HA   PRO  43           HA       PRO  43  -7.475   9.323  11.433
  323   1HB   PRO  43          2HB       PRO  43  -9.386   8.686  13.187
  324   2HB   PRO  43          1HB       PRO  43  -9.710   9.784  11.839
  325   1HG   PRO  43          2HG       PRO  43 -10.435   6.909  12.159
  326   2HG   PRO  43          1HG       PRO  43 -11.357   8.223  11.410
  327   1HD   PRO  43          2HD       PRO  43  -9.828   6.322  10.050
  328   2HD   PRO  43          1HD       PRO  43 -10.398   7.862   9.381
  329    HA   PRO  44           HA       PRO  44  -5.041   5.739  12.869
  330   1HB   PRO  44          2HB       PRO  44  -4.033   7.947  14.608
  331   2HB   PRO  44          1HB       PRO  44  -3.131   6.723  13.710
  332   1HG   PRO  44          2HG       PRO  44  -3.280   9.222  12.812
  333   2HG   PRO  44          1HG       PRO  44  -3.351   7.847  11.694
  334   1HD   PRO  44          2HD       PRO  44  -5.538   9.634  12.642
  335   2HD   PRO  44          1HD       PRO  44  -5.330   8.838  11.068
  336    H    LEU  45           H        LEU  45  -5.927   8.215  15.283
  337    HA   LEU  45           HA       LEU  45  -6.805   8.054  17.377
  338   1HB   LEU  45          2HB       LEU  45  -8.331   5.748  16.162
  339   2HB   LEU  45          1HB       LEU  45  -8.776   6.636  17.605
  340    HG   LEU  45           HG       LEU  45  -8.684   7.773  14.808
  341   1HD1  LEU  45          1HD1      LEU  45 -11.181   7.565  16.389
  342   2HD1  LEU  45          2HD1      LEU  45 -10.546   6.088  15.664
  343   3HD1  LEU  45          3HD1      LEU  45 -10.930   7.476  14.646
  344   1HD2  LEU  45          1HD2      LEU  45  -8.347   9.666  16.011
  345   2HD2  LEU  45          2HD2      LEU  45  -9.025   8.983  17.488
  346   3HD2  LEU  45          3HD2      LEU  45 -10.095   9.554  16.208
  347    H    GLY  46           H        GLY  46  -4.408   6.404  16.705
  348   1HA   GLY  46          2HA       GLY  46  -4.279   4.966  19.184
  349   2HA   GLY  46          1HA       GLY  46  -4.357   3.888  17.799
  350    HA   PRO  47           HA       PRO  47  -0.118   4.159  16.554
  351   1HB   PRO  47          2HB       PRO  47  -0.744   6.403  14.671
  352   2HB   PRO  47          1HB       PRO  47   0.239   4.958  14.404
  353   1HG   PRO  47          2HG       PRO  47  -2.246   5.094  13.462
  354   2HG   PRO  47          1HG       PRO  47  -1.613   3.584  14.144
  355   1HD   PRO  47          2HD       PRO  47  -3.579   5.495  15.280
  356   2HD   PRO  47          1HD       PRO  47  -3.422   3.747  15.537
  357    H    GLN  48           H        GLN  48  -1.036   7.569  16.038
  358    HA   GLN  48           HA       GLN  48   0.833   8.298  18.198
  359   1HB   GLN  48          2HB       GLN  48   0.278  10.035  15.797
  360   2HB   GLN  48          1HB       GLN  48   1.566  10.202  16.980
  361   1HG   GLN  48          2HG       GLN  48   2.659   9.359  15.134
  362   2HG   GLN  48          1HG       GLN  48   2.370   7.919  16.107
  363   1HE2  GLN  48          1HE2      GLN  48  -0.474   9.096  14.733
  364   2HE2  GLN  48          2HE2      GLN  48  -0.561   8.025  13.381
  365    H    ASP  49           H        ASP  49  -1.090  10.541  16.359
  366    HA   ASP  49           HA       ASP  49  -3.402  10.675  17.904
  367   1HB   ASP  49          2HB       ASP  49  -1.739  11.315  19.692
  368   2HB   ASP  49          1HB       ASP  49  -1.377  12.758  18.751
  369    H    GLN  50           H        GLN  50  -1.678  11.377  15.320
  370    HA   GLN  50           HA       GLN  50  -2.996  13.916  14.684
  371   1HB   GLN  50          2HB       GLN  50  -0.786  12.482  13.210
  372   2HB   GLN  50          1HB       GLN  50  -1.405  14.089  12.851
  373   1HG   GLN  50          2HG       GLN  50  -0.561  14.957  14.900
  374   2HG   GLN  50          1HG       GLN  50  -0.131  13.343  15.467
  375   1HE2  GLN  50          1HE2      GLN  50   1.883  12.762  15.223
  376   2HE2  GLN  50          2HE2      GLN  50   3.011  13.440  14.107
  377    HA   PRO  51           HA       PRO  51  -5.654  11.066  12.339
  378   1HB   PRO  51          2HB       PRO  51  -7.835  12.646  12.279
  379   2HB   PRO  51          1HB       PRO  51  -7.391  11.719  13.717
  380   1HG   PRO  51          2HG       PRO  51  -6.933  14.615  13.116
  381   2HG   PRO  51          1HG       PRO  51  -7.475  13.859  14.625
  382   1HD   PRO  51          2HD       PRO  51  -4.897  14.646  14.171
  383   2HD   PRO  51          1HD       PRO  51  -5.339  13.321  15.264
  384    H    ASP  52           H        ASP  52  -4.260  11.392  10.491
  385    HA   ASP  52           HA       ASP  52  -5.568  12.735   8.352
  386   1HB   ASP  52          2HB       ASP  52  -3.682  14.277   7.783
  387   2HB   ASP  52          1HB       ASP  52  -4.541  14.720   9.255
  388    H    TYR  53           H        TYR  53  -4.822  10.105   8.792
  389    HA   TYR  53           HA       TYR  53  -2.356   9.483   7.477
  390   1HB   TYR  53          2HB       TYR  53  -3.261   7.963   9.139
  391   2HB   TYR  53          1HB       TYR  53  -4.731   7.755   8.197
  392    HD1  TYR  53           1HD      TYR  53  -4.859   5.627   7.337
  393    HD2  TYR  53           2HD      TYR  53  -1.083   7.586   7.364
  394    HE1  TYR  53           1HE      TYR  53  -3.857   3.696   6.193
  395    HE2  TYR  53           2HE      TYR  53  -0.070   5.659   6.218
  396    HH   TYR  53           HH       TYR  53  -0.491   3.277   5.900
  397    H    LEU  54           H        LEU  54  -2.019   9.667   5.374
  398    HA   LEU  54           HA       LEU  54  -4.296   9.366   3.532
  399   1HB   LEU  54          2HB       LEU  54  -3.156  11.522   3.400
  400   2HB   LEU  54          1HB       LEU  54  -1.622  10.715   3.139
  401    HG   LEU  54           HG       LEU  54  -2.451   9.849   0.983
  402   1HD1  LEU  54          1HD1      LEU  54  -4.826   9.768   1.471
  403   2HD1  LEU  54          2HD1      LEU  54  -4.528  10.759   0.044
  404   3HD1  LEU  54          3HD1      LEU  54  -4.882  11.526   1.593
  405   1HD2  LEU  54          1HD2      LEU  54  -2.257  11.892  -0.223
  406   2HD2  LEU  54          2HD2      LEU  54  -1.237  12.028   1.209
  407   3HD2  LEU  54          3HD2      LEU  54  -2.806  12.833   1.162
  408    H    ASN  55           H        ASN  55  -4.172   7.933   1.793
  409    HA   ASN  55           HA       ASN  55  -1.734   6.474   1.277
  410   1HB   ASN  55          2HB       ASN  55  -2.359   5.231   3.196
  411   2HB   ASN  55          1HB       ASN  55  -4.043   5.175   2.706
  412   1HD2  ASN  55          1HD2      ASN  55  -1.484   3.315   3.113
  413   2HD2  ASN  55          2HD2      ASN  55  -1.730   2.126   1.885
  414    H    ALA  56           H        ALA  56  -1.824   5.147  -0.561
  415    HA   ALA  56           HA       ALA  56  -4.272   5.371  -2.168
  416   1HB   ALA  56          1HB       ALA  56  -1.499   5.735  -3.284
  417   2HB   ALA  56          2HB       ALA  56  -2.569   7.067  -2.847
  418   3HB   ALA  56          3HB       ALA  56  -3.035   5.946  -4.126
  419    H    ALA  57           H        ALA  57  -4.498   3.795  -3.830
  420    HA   ALA  57           HA       ALA  57  -3.315   1.220  -3.108
  421   1HB   ALA  57          1HB       ALA  57  -5.126   0.705  -5.098
  422   2HB   ALA  57          2HB       ALA  57  -5.835   2.106  -4.295
  423   3HB   ALA  57          3HB       ALA  57  -5.471   0.651  -3.369
  424    H    VAL  58           H        VAL  58  -1.961   0.104  -4.413
  425    HA   VAL  58           HA       VAL  58  -1.423   1.247  -7.054
  426    HB   VAL  58           HB       VAL  58   0.638   0.302  -5.065
  427   1HG1  VAL  58          1HG1      VAL  58   0.771   1.003  -7.958
  428   2HG1  VAL  58          2HG1      VAL  58   1.580  -0.289  -7.073
  429   3HG1  VAL  58          3HG1      VAL  58   2.140   1.375  -6.913
  430   1HG2  VAL  58          1HG2      VAL  58  -0.594   2.832  -5.439
  431   2HG2  VAL  58          2HG2      VAL  58   1.083   2.948  -5.975
  432   3HG2  VAL  58          3HG2      VAL  58   0.716   2.396  -4.342
  433    H    ALA  59           H        ALA  59  -1.080  -0.124  -8.633
  434    HA   ALA  59           HA       ALA  59  -0.670  -2.955  -8.064
  435   1HB   ALA  59          1HB       ALA  59  -2.880  -3.242  -8.546
  436   2HB   ALA  59          2HB       ALA  59  -2.267  -3.205 -10.199
  437   3HB   ALA  59          3HB       ALA  59  -2.978  -1.756  -9.491
  438    H    LEU  60           H        LEU  60   1.454  -2.603  -8.664
  439    HA   LEU  60           HA       LEU  60   1.912  -1.786 -11.445
  440   1HB   LEU  60          2HB       LEU  60   3.244  -0.417 -10.164
  441   2HB   LEU  60          1HB       LEU  60   3.546  -1.652  -8.962
  442    HG   LEU  60           HG       LEU  60   4.726  -1.982 -11.692
  443   1HD1  LEU  60          1HD1      LEU  60   5.185   0.356 -10.916
  444   2HD1  LEU  60          2HD1      LEU  60   6.619  -0.648 -11.139
  445   3HD1  LEU  60          3HD1      LEU  60   6.002  -0.339  -9.516
  446   1HD2  LEU  60          1HD2      LEU  60   5.142  -3.000  -8.945
  447   2HD2  LEU  60          2HD2      LEU  60   6.587  -2.751  -9.924
  448   3HD2  LEU  60          3HD2      LEU  60   5.308  -3.821 -10.497
  449    H    GLU  61           H        GLU  61   2.935  -3.060 -12.888
  450    HA   GLU  61           HA       GLU  61   3.006  -5.878 -12.271
  451   1HB   GLU  61          2HB       GLU  61   3.551  -6.127 -14.693
  452   2HB   GLU  61          1HB       GLU  61   2.053  -5.263 -14.385
  453   1HG   GLU  61          2HG       GLU  61   3.167  -3.145 -14.804
  454   2HG   GLU  61          1HG       GLU  61   4.694  -3.987 -15.063
  455    H    THR  62           H        THR  62   4.725  -6.518 -11.117
  456    HA   THR  62           HA       THR  62   7.382  -5.616 -11.950
  457    HB   THR  62           HB       THR  62   7.098  -5.121  -9.649
  458    HG1  THR  62           1HG      THR  62   8.343  -7.643  -9.557
  459   1HG2  THR  62          1HG2      THR  62   6.613  -7.537  -8.334
  460   2HG2  THR  62          2HG2      THR  62   5.398  -7.422  -9.607
  461   3HG2  THR  62          3HG2      THR  62   5.560  -6.125  -8.423
  462    H    SER  63           H        SER  63   9.067  -7.324 -11.442
  463    HA   SER  63           HA       SER  63   8.149 -10.007 -12.233
  464   1HB   SER  63          2HB       SER  63   9.167  -8.920 -14.222
  465   2HB   SER  63          1HB       SER  63  10.630  -8.610 -13.291
  466    HG   SER  63           HG       SER  63  10.315 -11.111 -12.973
  467    H    LEU  64           H        LEU  64   9.958  -7.847 -10.430
  468    HA   LEU  64           HA       LEU  64  11.511  -9.885  -9.062
  469   1HB   LEU  64          2HB       LEU  64  12.289  -7.681  -7.860
  470   2HB   LEU  64          1HB       LEU  64  12.953  -8.146  -9.412
  471    HG   LEU  64           HG       LEU  64  10.904  -6.603 -10.252
  472   1HD1  LEU  64          1HD1      LEU  64  10.112  -6.037  -8.057
  473   2HD1  LEU  64          2HD1      LEU  64  10.830  -4.610  -8.803
  474   3HD1  LEU  64          3HD1      LEU  64  11.719  -5.502  -7.569
  475   1HD2  LEU  64          1HD2      LEU  64  12.542  -5.175 -10.933
  476   2HD2  LEU  64          2HD2      LEU  64  13.554  -6.534 -10.444
  477   3HD2  LEU  64          3HD2      LEU  64  13.340  -5.159  -9.360
  478    H    ALA  65           H        ALA  65  10.130 -10.933  -7.775
  479    HA   ALA  65           HA       ALA  65   7.848 -10.330  -6.589
  480   1HB   ALA  65          1HB       ALA  65  10.130 -11.645  -5.118
  481   2HB   ALA  65          2HB       ALA  65   9.016 -12.445  -6.228
  482   3HB   ALA  65          3HB       ALA  65   8.420 -11.776  -4.709
  483    HA   PRO  66           HA       PRO  66   7.632  -6.672  -4.147
  484   1HB   PRO  66          2HB       PRO  66   6.902  -8.741  -2.087
  485   2HB   PRO  66          1HB       PRO  66   6.217  -7.126  -2.332
  486   1HG   PRO  66          2HG       PRO  66   5.002  -9.260  -3.351
  487   2HG   PRO  66          1HG       PRO  66   5.102  -7.745  -4.253
  488   1HD   PRO  66          2HD       PRO  66   6.470 -10.304  -4.758
  489   2HD   PRO  66          1HD       PRO  66   6.163  -8.955  -5.871
  490    H    GLU  67           H        GLU  67   9.513  -9.432  -3.100
  491    HA   GLU  67           HA       GLU  67  10.790  -8.315  -0.875
  492   1HB   GLU  67          2HB       GLU  67  12.001 -10.200  -2.907
  493   2HB   GLU  67          1HB       GLU  67  12.489 -10.003  -1.227
  494   1HG   GLU  67          2HG       GLU  67  10.388 -10.906  -0.467
  495   2HG   GLU  67          1HG       GLU  67   9.796 -11.007  -2.127
  496    H    GLU  68           H        GLU  68  11.799  -8.400  -4.283
  497    HA   GLU  68           HA       GLU  68  14.011  -6.619  -3.940
  498   1HB   GLU  68          2HB       GLU  68  12.619  -7.229  -6.537
  499   2HB   GLU  68          1HB       GLU  68  14.318  -6.881  -6.275
  500   1HG   GLU  68          2HG       GLU  68  12.866  -9.347  -5.395
  501   2HG   GLU  68          1HG       GLU  68  13.943  -9.227  -6.787
  502    H    LEU  69           H        LEU  69  10.776  -6.421  -5.342
  503    HA   LEU  69           HA       LEU  69  10.826  -3.784  -6.194
  504   1HB   LEU  69          2HB       LEU  69   8.992  -4.861  -6.961
  505   2HB   LEU  69          1HB       LEU  69   8.725  -5.750  -5.483
  506    HG   LEU  69           HG       LEU  69   7.979  -3.449  -4.507
  507   1HD1  LEU  69          1HD1      LEU  69   8.160  -2.888  -7.425
  508   2HD1  LEU  69          2HD1      LEU  69   8.555  -1.860  -6.047
  509   3HD1  LEU  69          3HD1      LEU  69   6.868  -2.145  -6.479
  510   1HD2  LEU  69          1HD2      LEU  69   6.039  -4.536  -4.587
  511   2HD2  LEU  69          2HD2      LEU  69   6.589  -5.493  -5.963
  512   3HD2  LEU  69          3HD2      LEU  69   5.808  -3.935  -6.228
  513    H    LEU  70           H        LEU  70  10.358  -5.134  -2.994
  514    HA   LEU  70           HA       LEU  70   9.511  -2.679  -1.797
  515   1HB   LEU  70          2HB       LEU  70  10.051  -5.396  -0.908
  516   2HB   LEU  70          1HB       LEU  70  10.664  -4.204   0.220
  517    HG   LEU  70           HG       LEU  70   8.416  -3.197   0.360
  518   1HD1  LEU  70          1HD1      LEU  70   6.726  -5.154  -0.605
  519   2HD1  LEU  70          2HD1      LEU  70   7.934  -4.981  -1.876
  520   3HD1  LEU  70          3HD1      LEU  70   7.020  -3.574  -1.331
  521   1HD2  LEU  70          1HD2      LEU  70   8.623  -6.142   0.955
  522   2HD2  LEU  70          2HD2      LEU  70   7.340  -5.098   1.561
  523   3HD2  LEU  70          3HD2      LEU  70   9.014  -4.802   2.030
  524    H    ASN  71           H        ASN  71  12.572  -4.242  -2.474
  525    HA   ASN  71           HA       ASN  71  14.252  -2.817  -0.778
  526   1HB   ASN  71          2HB       ASN  71  14.758  -3.810  -3.589
  527   2HB   ASN  71          1HB       ASN  71  16.013  -3.123  -2.568
  528   1HD2  ASN  71          1HD2      ASN  71  13.678  -4.864  -0.834
  529   2HD2  ASN  71          2HD2      ASN  71  14.576  -6.319  -0.629
  530    H    HIS  72           H        HIS  72  13.219  -1.962  -4.078
  531    HA   HIS  72           HA       HIS  72  14.554   0.547  -4.086
  532   1HB   HIS  72          2HB       HIS  72  12.355  -0.546  -5.846
  533   2HB   HIS  72          1HB       HIS  72  13.264   0.932  -6.189
  534    HD1  HIS  72           1HD      HIS  72  15.752   0.634  -6.908
  535    HD2  HIS  72           2HD      HIS  72  13.711  -2.939  -6.316
  536    HE1  HIS  72           1HE      HIS  72  17.231  -1.152  -7.879
  537    HE2  HIS  72           2HE      HIS  72  15.934  -3.293  -7.594
  538    H    THR  73           H        THR  73  11.178  -0.392  -3.526
  539    HA   THR  73           HA       THR  73  10.182   2.241  -3.331
  540    HB   THR  73           HB       THR  73   8.261   1.200  -2.178
  541    HG1  THR  73           1HG      THR  73   8.301  -0.902  -1.601
  542   1HG2  THR  73          1HG2      THR  73   7.912   1.018  -4.432
  543   2HG2  THR  73          2HG2      THR  73   7.851  -0.671  -3.930
  544   3HG2  THR  73          3HG2      THR  73   9.314  -0.025  -4.674
  545    H    GLN  74           H        GLN  74  11.386  -0.013  -0.907
  546    HA   GLN  74           HA       GLN  74  11.023   1.776   1.288
  547   1HB   GLN  74          2HB       GLN  74  11.849   0.068   2.646
  548   2HB   GLN  74          1HB       GLN  74  11.095  -0.812   1.328
  549   1HG   GLN  74          2HG       GLN  74  13.085  -1.934   1.639
  550   2HG   GLN  74          1HG       GLN  74  13.443  -0.859   0.288
  551   1HE2  GLN  74          1HE2      GLN  74  15.376   0.004   0.424
  552   2HE2  GLN  74          2HE2      GLN  74  16.193   0.467   1.874
  553    H    ARG  75           H        ARG  75  13.208   1.485  -1.203
  554    HA   ARG  75           HA       ARG  75  15.616   2.285   0.095
  555   1HB   ARG  75          2HB       ARG  75  15.630   1.151  -2.070
  556   2HB   ARG  75          1HB       ARG  75  14.731   2.472  -2.793
  557   1HG   ARG  75          2HG       ARG  75  16.585   3.940  -2.617
  558   2HG   ARG  75          1HG       ARG  75  17.475   2.786  -1.616
  559   1HD   ARG  75          2HD       ARG  75  17.743   1.281  -3.423
  560   2HD   ARG  75          1HD       ARG  75  16.579   2.147  -4.424
  561    HE   ARG  75           HE       ARG  75  19.336   2.631  -4.298
  562   1HH1  ARG  75          1HH1      ARG  75  16.339   4.419  -4.268
  563   2HH1  ARG  75          2HH1      ARG  75  17.037   5.843  -4.961
  564   1HH2  ARG  75          1HH2      ARG  75  20.254   4.500  -5.213
  565   2HH2  ARG  75          2HH2      ARG  75  19.259   5.889  -5.499
  566    H    ILE  76           H        ILE  76  12.944   3.897  -1.480
  567    HA   ILE  76           HA       ILE  76  14.067   6.512  -1.319
  568    HB   ILE  76           HB       ILE  76  11.138   5.839  -1.563
  569   1HG1  ILE  76          2HG1      ILE  76  12.388   4.593  -3.271
  570   2HG1  ILE  76          1HG1      ILE  76  11.466   5.900  -4.005
  571   1HG2  ILE  76          1HG2      ILE  76  12.823   8.249  -2.136
  572   2HG2  ILE  76          2HG2      ILE  76  11.341   8.126  -1.187
  573   3HG2  ILE  76          3HG2      ILE  76  11.276   8.006  -2.946
  574   1HD1  ILE  76          1HD1      ILE  76  14.264   5.362  -4.140
  575   2HD1  ILE  76          2HD1      ILE  76  14.005   6.949  -3.415
  576   3HD1  ILE  76          3HD1      ILE  76  13.319   6.580  -4.998
  577    H    GLU  77           H        GLU  77  11.312   4.997   0.432
  578    HA   GLU  77           HA       GLU  77  10.913   6.970   2.314
  579   1HB   GLU  77          2HB       GLU  77  10.049   5.187   3.829
  580   2HB   GLU  77          1HB       GLU  77   9.376   5.131   2.214
  581   1HG   GLU  77          2HG       GLU  77  11.150   3.365   1.725
  582   2HG   GLU  77          1HG       GLU  77  11.378   3.298   3.467
  583    H    LEU  78           H        LEU  78  13.510   4.671   2.151
  584    HA   LEU  78           HA       LEU  78  14.409   4.862   4.820
  585   1HB   LEU  78          2HB       LEU  78  15.105   3.134   3.137
  586   2HB   LEU  78          1HB       LEU  78  16.072   4.362   2.347
  587    HG   LEU  78           HG       LEU  78  17.354   2.796   3.819
  588   1HD1  LEU  78          1HD1      LEU  78  18.858   4.414   3.900
  589   2HD1  LEU  78          2HD1      LEU  78  17.993   5.192   5.224
  590   3HD1  LEU  78          3HD1      LEU  78  17.589   5.590   3.556
  591   1HD2  LEU  78          1HD2      LEU  78  16.776   4.126   6.298
  592   2HD2  LEU  78          2HD2      LEU  78  16.756   2.403   5.918
  593   3HD2  LEU  78          3HD2      LEU  78  15.315   3.383   5.645
  594    H    GLN  79           H        GLN  79  15.272   6.637   1.867
  595    HA   GLN  79           HA       GLN  79  16.655   8.615   3.561
  596   1HB   GLN  79          2HB       GLN  79  17.758   9.292   1.368
  597   2HB   GLN  79          1HB       GLN  79  18.218   7.733   2.036
  598   1HG   GLN  79          2HG       GLN  79  17.949   7.282  -0.212
  599   2HG   GLN  79          1HG       GLN  79  16.415   6.765   0.481
  600   1HE2  GLN  79          1HE2      GLN  79  16.893  10.145   0.306
  601   2HE2  GLN  79          2HE2      GLN  79  15.901  10.442  -1.076
  602    H    GLN  80           H        GLN  80  13.697   8.303   2.518
  603    HA   GLN  80           HA       GLN  80  13.475  11.044   1.464
  604   1HB   GLN  80          2HB       GLN  80  12.599   8.988   0.123
  605   2HB   GLN  80          1HB       GLN  80  11.265   9.019   1.267
  606   1HG   GLN  80          2HG       GLN  80  12.082  11.344  -0.459
  607   2HG   GLN  80          1HG       GLN  80  10.800  10.201  -0.852
  608   1HE2  GLN  80          1HE2      GLN  80  11.352  13.177   0.301
  609   2HE2  GLN  80          2HE2      GLN  80   9.954  13.392   1.292
  610    H    GLY  81           H        GLY  81  12.491   8.861   4.007
  611   1HA   GLY  81          2HA       GLY  81  10.283  10.196   5.049
  612   2HA   GLY  81          1HA       GLY  81  11.418   9.248   5.995
  613    H    ARG  82           H        ARG  82  13.260  11.570   4.607
  614    HA   ARG  82           HA       ARG  82  14.245  13.483   5.319
  615   1HB   ARG  82          2HB       ARG  82  11.604  14.019   6.694
  616   2HB   ARG  82          1HB       ARG  82  12.854  15.205   6.345
  617   1HG   ARG  82          2HG       ARG  82  12.525  14.805   3.938
  618   2HG   ARG  82          1HG       ARG  82  11.219  13.687   4.326
  619   1HD   ARG  82          2HD       ARG  82  11.309  16.632   4.979
  620   2HD   ARG  82          1HD       ARG  82  10.340  15.874   3.718
  621    HE   ARG  82           HE       ARG  82   8.850  15.141   5.324
  622   1HH1  ARG  82          1HH1      ARG  82  11.642  16.576   6.847
  623   2HH1  ARG  82          2HH1      ARG  82  10.939  16.565   8.431
  624   1HH2  ARG  82          1HH2      ARG  82   7.924  15.127   7.403
  625   2HH2  ARG  82          2HH2      ARG  82   8.829  15.741   8.747
  626    H    VAL  83           H        VAL  83  14.663  11.144   6.785
  627    HA   VAL  83           HA       VAL  83  15.248  12.282   9.424
  628    HB   VAL  83           HB       VAL  83  14.824   9.989  10.404
  629   1HG1  VAL  83          1HG1      VAL  83  12.584  11.645   9.265
  630   2HG1  VAL  83          2HG1      VAL  83  13.266  11.699  10.891
  631   3HG1  VAL  83          3HG1      VAL  83  12.311  10.306  10.380
  632   1HG2  VAL  83          1HG2      VAL  83  14.834   8.716   8.320
  633   2HG2  VAL  83          2HG2      VAL  83  13.397   9.581   7.773
  634   3HG2  VAL  83          3HG2      VAL  83  13.304   8.510   9.172
  635    H    ARG  84           H        ARG  84  16.086   9.108   9.541
  636    HA   ARG  84           HA       ARG  84  18.737   9.580   8.361
  637   1HB   ARG  84          2HB       ARG  84  18.082   8.296  11.014
  638   2HB   ARG  84          1HB       ARG  84  19.668   8.242  10.265
  639   1HG   ARG  84          2HG       ARG  84  18.333  10.863  10.788
  640   2HG   ARG  84          1HG       ARG  84  19.166  10.008  12.084
  641   1HD   ARG  84          2HD       ARG  84  20.638  11.640  11.053
  642   2HD   ARG  84          1HD       ARG  84  21.224  10.006  10.763
  643    HE   ARG  84           HE       ARG  84  20.168  11.867   8.789
  644   1HH1  ARG  84          1HH1      ARG  84  21.315   8.657   9.516
  645   2HH1  ARG  84          2HH1      ARG  84  21.588   8.240   7.857
  646   1HH2  ARG  84          1HH2      ARG  84  20.526  11.327   6.606
  647   2HH2  ARG  84          2HH2      ARG  84  21.140   9.759   6.203
  648    H    LYS  85           H        LYS  85  17.249   6.831  10.031
  649    HA   LYS  85           HA       LYS  85  17.173   5.300   7.557
  650   1HB   LYS  85          2HB       LYS  85  18.386   3.395   8.623
  651   2HB   LYS  85          1HB       LYS  85  19.397   4.802   8.325
  652   1HG   LYS  85          2HG       LYS  85  19.205   5.440  10.676
  653   2HG   LYS  85          1HG       LYS  85  18.192   4.027  10.975
  654   1HD   LYS  85          2HD       LYS  85  21.040   3.952   9.978
  655   2HD   LYS  85          1HD       LYS  85  20.536   3.664  11.644
  656   1HE   LYS  85          2HE       LYS  85  19.745   2.031   9.235
  657   2HE   LYS  85          1HE       LYS  85  20.910   1.562  10.470
  658   1HZ   LYS  85          1HZ       LYS  85  17.982   1.868  10.745
  659   2HZ   LYS  85          2HZ       LYS  85  19.003   1.824  12.091
  660   3HZ   LYS  85          3HZ       LYS  85  18.926   0.497  11.046
  661    H    ALA  86           H        ALA  86  15.062   4.846   7.575
  662    HA   ALA  86           HA       ALA  86  13.033   4.050   8.228
  663   1HB   ALA  86          1HB       ALA  86  13.059   1.943   9.049
  664   2HB   ALA  86          2HB       ALA  86  14.133   2.361  10.385
  665   3HB   ALA  86          3HB       ALA  86  14.796   2.089   8.772
  666    H    GLU  87           H        GLU  87  13.936   6.440   9.398
  667    HA   GLU  87           HA       GLU  87  13.587   7.907  11.101
  668   1HB   GLU  87          2HB       GLU  87  11.390   8.025  11.921
  669   2HB   GLU  87          1HB       GLU  87  11.241   7.268  10.343
  670   1HG   GLU  87          2HG       GLU  87  10.805   5.167  11.259
  671   2HG   GLU  87          1HG       GLU  87  11.421   5.631  12.844
  672    H    ARG  88           H        ARG  88  12.493   7.817  13.570
  673    HA   ARG  88           HA       ARG  88  14.453   6.238  15.041
  674   1HB   ARG  88          2HB       ARG  88  12.707   8.577  15.765
  675   2HB   ARG  88          1HB       ARG  88  13.501   7.623  17.006
  676   1HG   ARG  88          2HG       ARG  88  14.875   9.494  16.624
  677   2HG   ARG  88          1HG       ARG  88  15.678   8.132  15.848
  678   1HD   ARG  88          2HD       ARG  88  13.877  10.011  14.343
  679   2HD   ARG  88          1HD       ARG  88  15.596  10.329  14.563
  680    HE   ARG  88           HE       ARG  88  14.460   8.612  12.659
  681   1HH1  ARG  88          1HH1      ARG  88  17.116   8.717  14.919
  682   2HH1  ARG  88          2HH1      ARG  88  18.111   7.644  13.992
  683   1HH2  ARG  88          1HH2      ARG  88  15.766   7.207  11.436
  684   2HH2  ARG  88          2HH2      ARG  88  17.345   6.787  12.014
  685    H    TRP  89           H        TRP  89  11.049   7.130  15.681
  686    HA   TRP  89           HA       TRP  89  10.123   4.462  15.805
  687   1HB   TRP  89          2HB       TRP  89   9.703   4.392  18.285
  688   2HB   TRP  89          1HB       TRP  89  11.391   4.235  17.815
  689    HD1  TRP  89           HD       TRP  89  13.050   5.829  18.948
  690    HE1  TRP  89           1HE      TRP  89  12.861   7.891  20.472
  691    HE3  TRP  89           3HE      TRP  89   7.989   6.563  18.713
  692    HZ2  TRP  89           2HZ      TRP  89  10.842   9.599  21.451
  693    HZ3  TRP  89           3HZ      TRP  89   7.012   8.432  19.979
  694    HH2  TRP  89           HH       TRP  89   8.411   9.918  21.320
  695    H    GLY  90           H        GLY  90   9.629   7.688  15.590
  696   1HA   GLY  90          2HA       GLY  90   6.906   7.670  16.663
  697   2HA   GLY  90          1HA       GLY  90   7.772   9.075  16.063
  698    HA   PRO  91           HA       PRO  91   4.668   8.235  12.801
  699   1HB   PRO  91          2HB       PRO  91   4.863  10.750  11.724
  700   2HB   PRO  91          1HB       PRO  91   3.792  10.332  13.066
  701   1HG   PRO  91          2HG       PRO  91   6.492  11.619  13.126
  702   2HG   PRO  91          1HG       PRO  91   5.041  12.015  14.064
  703   1HD   PRO  91          2HD       PRO  91   7.065  10.602  15.124
  704   2HD   PRO  91          1HD       PRO  91   5.372  10.272  15.552
  705    H    ARG  92           H        ARG  92   5.204   9.884  10.434
  706    HA   ARG  92           HA       ARG  92   6.311   9.714   8.449
  707   1HB   ARG  92          2HB       ARG  92   8.736   9.208  10.187
  708   2HB   ARG  92          1HB       ARG  92   8.749   9.725   8.507
  709   1HG   ARG  92          2HG       ARG  92   7.601  11.813   9.194
  710   2HG   ARG  92          1HG       ARG  92   7.759  11.297  10.874
  711   1HD   ARG  92          2HD       ARG  92  10.193  11.245  10.627
  712   2HD   ARG  92          1HD       ARG  92  10.035  11.757   8.948
  713    HE   ARG  92           HE       ARG  92   9.904  13.891   9.711
  714   1HH1  ARG  92          1HH1      ARG  92   8.797  11.777  12.252
  715   2HH1  ARG  92          2HH1      ARG  92   8.529  13.063  13.380
  716   1HH2  ARG  92          1HH2      ARG  92   9.554  15.588  11.191
  717   2HH2  ARG  92          2HH2      ARG  92   8.957  15.229  12.776
  718    H    THR  93           H        THR  93   8.460   8.098   7.625
  719    HA   THR  93           HA       THR  93   9.028   6.012   6.993
  720    HB   THR  93           HB       THR  93   7.320   5.145   9.333
  721    HG1  THR  93           1HG      THR  93  10.133   5.106   9.093
  722   1HG2  THR  93          1HG2      THR  93   7.418   3.248   7.935
  723   2HG2  THR  93          2HG2      THR  93   8.656   3.025   9.170
  724   3HG2  THR  93          3HG2      THR  93   9.114   3.532   7.545
  725    H    LEU  94           H        LEU  94   8.262   5.780   5.082
  726    HA   LEU  94           HA       LEU  94   5.486   5.643   4.449
  727   1HB   LEU  94          2HB       LEU  94   7.273   6.630   3.024
  728   2HB   LEU  94          1HB       LEU  94   7.912   5.023   2.757
  729    HG   LEU  94           HG       LEU  94   5.794   4.409   1.629
  730   1HD1  LEU  94          1HD1      LEU  94   4.956   6.939   2.728
  731   2HD1  LEU  94          2HD1      LEU  94   3.990   5.647   2.017
  732   3HD1  LEU  94          3HD1      LEU  94   4.708   6.882   0.983
  733   1HD2  LEU  94          1HD2      LEU  94   6.221   6.387  -0.181
  734   2HD2  LEU  94          2HD2      LEU  94   7.189   4.921  -0.035
  735   3HD2  LEU  94          3HD2      LEU  94   7.723   6.411   0.742
  736    H    ASP  95           H        ASP  95   4.361   3.787   3.601
  737    HA   ASP  95           HA       ASP  95   5.532   1.246   4.526
  738   1HB   ASP  95          2HB       ASP  95   3.587   1.920   5.830
  739   2HB   ASP  95          1HB       ASP  95   2.624   2.057   4.361
  740    H    LEU  96           H        LEU  96   6.250   0.075   2.888
  741    HA   LEU  96           HA       LEU  96   4.595  -0.075   0.453
  742   1HB   LEU  96          2HB       LEU  96   7.563  -0.099   0.838
  743   2HB   LEU  96          1HB       LEU  96   6.843  -0.826  -0.585
  744    HG   LEU  96           HG       LEU  96   7.632   1.474  -0.963
  745   1HD1  LEU  96          1HD1      LEU  96   6.095   1.333  -2.565
  746   2HD1  LEU  96          2HD1      LEU  96   4.995   2.187  -1.483
  747   3HD1  LEU  96          3HD1      LEU  96   5.003   0.424  -1.521
  748   1HD2  LEU  96          1HD2      LEU  96   7.203   3.143   0.421
  749   2HD2  LEU  96          2HD2      LEU  96   6.420   1.987   1.497
  750   3HD2  LEU  96          3HD2      LEU  96   5.467   2.860   0.297
  751    H    ASP  97           H        ASP  97   3.407  -1.883   0.724
  752    HA   ASP  97           HA       ASP  97   4.856  -4.411   0.801
  753   1HB   ASP  97          2HB       ASP  97   2.657  -3.754   2.776
  754   2HB   ASP  97          1HB       ASP  97   3.347  -5.355   2.535
  755    H    ILE  98           H        ILE  98   4.041  -5.792  -0.639
  756    HA   ILE  98           HA       ILE  98   1.579  -5.097  -1.998
  757    HB   ILE  98           HB       ILE  98   3.824  -6.949  -2.542
  758   1HG1  ILE  98          2HG1      ILE  98   2.199  -5.056  -4.219
  759   2HG1  ILE  98          1HG1      ILE  98   3.806  -4.765  -3.561
  760   1HG2  ILE  98          1HG2      ILE  98   1.965  -8.487  -2.662
  761   2HG2  ILE  98          2HG2      ILE  98   2.578  -8.145  -4.279
  762   3HG2  ILE  98          3HG2      ILE  98   1.093  -7.377  -3.718
  763   1HD1  ILE  98          1HD1      ILE  98   4.776  -6.362  -5.014
  764   2HD1  ILE  98          2HD1      ILE  98   3.721  -5.338  -5.988
  765   3HD1  ILE  98          3HD1      ILE  98   3.194  -6.954  -5.521
  766    H    MET  99           H        MET  99  -0.254  -6.375  -2.133
  767    HA   MET  99           HA       MET  99  -0.490  -8.401  -0.010
  768   1HB   MET  99          2HB       MET  99  -2.682  -6.764  -1.296
  769   2HB   MET  99          1HB       MET  99  -2.879  -7.898   0.031
  770   1HG   MET  99          2HG       MET  99  -1.312  -5.333   0.104
  771   2HG   MET  99          1HG       MET  99  -2.893  -5.614   0.830
  772   1HE   MET  99          1HE       MET  99  -1.909  -4.592   3.001
  773   2HE   MET  99          2HE       MET  99  -0.225  -4.496   2.483
  774   3HE   MET  99          3HE       MET  99  -0.640  -5.321   3.986
  775    H    LEU 100           H        LEU 100  -0.651  -7.790  -3.372
  776    HA   LEU 100           HA       LEU 100  -1.379 -10.595  -3.840
  777   1HB   LEU 100          2HB       LEU 100  -3.453  -9.596  -4.214
  778   2HB   LEU 100          1HB       LEU 100  -2.744  -8.177  -4.955
  779    HG   LEU 100           HG       LEU 100  -2.206  -9.461  -6.955
  780   1HD1  LEU 100          1HD1      LEU 100  -3.791 -11.774  -6.585
  781   2HD1  LEU 100          2HD1      LEU 100  -2.650 -11.689  -5.245
  782   3HD1  LEU 100          3HD1      LEU 100  -2.061 -11.673  -6.907
  783   1HD2  LEU 100          1HD2      LEU 100  -4.399  -9.611  -7.817
  784   2HD2  LEU 100          2HD2      LEU 100  -4.440  -8.344  -6.590
  785   3HD2  LEU 100          3HD2      LEU 100  -5.078  -9.949  -6.226
  786    H    PHE 101           H        PHE 101  -0.480 -11.542  -5.705
  787    HA   PHE 101           HA       PHE 101   1.445  -9.835  -7.148
  788   1HB   PHE 101          2HB       PHE 101   2.536 -11.406  -5.542
  789   2HB   PHE 101          1HB       PHE 101   1.850 -12.748  -6.449
  790    HD1  PHE 101           1HD      PHE 101   3.492 -13.845  -7.609
  791    HD2  PHE 101           2HD      PHE 101   3.577  -9.592  -7.459
  792    HE1  PHE 101           1HE      PHE 101   5.455 -13.834  -9.092
  793    HE2  PHE 101           2HE      PHE 101   5.538  -9.574  -8.945
  794    HZ   PHE 101           HZ       PHE 101   6.479 -11.698  -9.763
  795    H    GLY 102           H        GLY 102  -0.507  -9.646  -8.567
  796   1HA   GLY 102          2HA       GLY 102  -1.211  -9.981 -10.742
  797   2HA   GLY 102          1HA       GLY 102  -0.201 -11.413 -10.811
  798    H    ASN 103           H        ASN 103  -1.273 -12.751  -8.598
  799    HA   ASN 103           HA       ASN 103  -3.619 -13.389  -7.886
  800   1HB   ASN 103          2HB       ASN 103  -4.600 -12.727 -10.117
  801   2HB   ASN 103          1HB       ASN 103  -3.797 -14.122 -10.828
  802   1HD2  ASN 103          1HD2      ASN 103  -4.814 -14.694  -7.662
  803   2HD2  ASN 103          2HD2      ASN 103  -6.266 -15.553  -8.024
  804    H    GLU 104           H        GLU 104  -0.930 -14.160  -7.846
  805    HA   GLU 104           HA       GLU 104  -1.039 -17.050  -8.393
  806   1HB   GLU 104          2HB       GLU 104   0.675 -15.597  -9.594
  807   2HB   GLU 104          1HB       GLU 104   1.422 -15.345  -8.025
  808   1HG   GLU 104          2HG       GLU 104   2.557 -17.098  -9.273
  809   2HG   GLU 104          1HG       GLU 104   1.832 -17.724  -7.792
  810    H    VAL 105           H        VAL 105  -0.730 -18.443  -6.698
  811    HA   VAL 105           HA       VAL 105  -0.773 -17.355  -4.039
  812    HB   VAL 105           HB       VAL 105  -0.427 -20.244  -4.858
  813   1HG1  VAL 105          1HG1      VAL 105  -1.238 -18.963  -2.256
  814   2HG1  VAL 105          2HG1      VAL 105   0.216 -19.908  -2.577
  815   3HG1  VAL 105          3HG1      VAL 105  -1.364 -20.688  -2.599
  816   1HG2  VAL 105          1HG2      VAL 105  -2.648 -20.458  -5.182
  817   2HG2  VAL 105          2HG2      VAL 105  -2.586 -18.720  -5.475
  818   3HG2  VAL 105          3HG2      VAL 105  -3.046 -19.331  -3.886
  819    H    ILE 106           H        ILE 106   1.151 -16.251  -3.837
  820    HA   ILE 106           HA       ILE 106   3.466 -17.935  -3.297
  821    HB   ILE 106           HB       ILE 106   3.877 -17.410  -5.553
  822   1HG1  ILE 106          2HG1      ILE 106   5.359 -15.439  -3.806
  823   2HG1  ILE 106          1HG1      ILE 106   5.862 -17.077  -4.226
  824   1HG2  ILE 106          1HG2      ILE 106   2.108 -15.533  -5.474
  825   2HG2  ILE 106          2HG2      ILE 106   3.439 -15.403  -6.624
  826   3HG2  ILE 106          3HG2      ILE 106   3.477 -14.478  -5.122
  827   1HD1  ILE 106          1HD1      ILE 106   6.798 -16.384  -6.112
  828   2HD1  ILE 106          2HD1      ILE 106   6.558 -14.735  -5.526
  829   3HD1  ILE 106          3HD1      ILE 106   5.349 -15.489  -6.575
  830    H    ASN 107           H        ASN 107   3.542 -17.447  -1.186
  831    HA   ASN 107           HA       ASN 107   4.150 -14.647  -0.569
  832   1HB   ASN 107          2HB       ASN 107   3.059 -14.896   1.638
  833   2HB   ASN 107          1HB       ASN 107   1.932 -14.998   0.292
  834   1HD2  ASN 107          1HD2      ASN 107   0.375 -16.229   1.038
  835   2HD2  ASN 107          2HD2      ASN 107   0.580 -17.810   1.695
  836    H    THR 108           H        THR 108   5.550 -14.302   1.141
  837    HA   THR 108           HA       THR 108   6.836 -16.415   2.537
  838    HB   THR 108           HB       THR 108   7.926 -16.841   0.440
  839    HG1  THR 108           1HG      THR 108   9.519 -15.504   2.340
  840   1HG2  THR 108          1HG2      THR 108   9.540 -14.845  -0.295
  841   2HG2  THR 108          2HG2      THR 108   8.153 -13.914   0.271
  842   3HG2  THR 108          3HG2      THR 108   7.945 -15.121  -0.999
  843    H    GLU 109           H        GLU 109   5.631 -14.410   3.631
  844    HA   GLU 109           HA       GLU 109   5.825 -12.794   5.197
  845   1HB   GLU 109          2HB       GLU 109   8.763 -13.421   4.932
  846   2HB   GLU 109          1HB       GLU 109   8.102 -12.325   6.137
  847   1HG   GLU 109          2HG       GLU 109   8.492 -14.483   7.121
  848   2HG   GLU 109          1HG       GLU 109   6.759 -14.168   7.050
  849    H    ARG 110           H        ARG 110   6.892 -12.371   2.080
  850    HA   ARG 110           HA       ARG 110   7.207  -9.482   2.550
  851   1HB   ARG 110          2HB       ARG 110   9.249 -11.000   1.673
  852   2HB   ARG 110          1HB       ARG 110   8.487 -10.620   0.133
  853   1HG   ARG 110          2HG       ARG 110  10.176  -8.999   0.527
  854   2HG   ARG 110          1HG       ARG 110   8.612  -8.210   0.740
  855   1HD   ARG 110          2HD       ARG 110  10.158  -7.534   2.493
  856   2HD   ARG 110          1HD       ARG 110   8.819  -8.460   3.167
  857    HE   ARG 110           HE       ARG 110  10.920 -10.223   2.617
  858   1HH1  ARG 110          1HH1      ARG 110  10.180  -7.574   4.761
  859   2HH1  ARG 110          2HH1      ARG 110  11.219  -8.142   6.025
  860   1HH2  ARG 110          1HH2      ARG 110  12.289 -10.974   4.277
  861   2HH2  ARG 110          2HH2      ARG 110  12.418 -10.073   5.751
  862    H    LEU 111           H        LEU 111   5.254 -11.789   1.197
  863    HA   LEU 111           HA       LEU 111   3.736  -9.827  -0.180
  864   1HB   LEU 111          2HB       LEU 111   3.949 -10.583  -2.435
  865   2HB   LEU 111          1HB       LEU 111   5.526 -10.149  -1.825
  866    HG   LEU 111           HG       LEU 111   4.517 -12.985  -2.061
  867   1HD1  LEU 111          1HD1      LEU 111   6.677 -11.907  -3.783
  868   2HD1  LEU 111          2HD1      LEU 111   5.010 -11.498  -4.189
  869   3HD1  LEU 111          3HD1      LEU 111   5.507 -13.188  -4.098
  870   1HD2  LEU 111          1HD2      LEU 111   7.333 -12.770  -2.010
  871   2HD2  LEU 111          2HD2      LEU 111   6.266 -13.532  -0.829
  872   3HD2  LEU 111          3HD2      LEU 111   6.697 -11.829  -0.661
  873    H    THR 112           H        THR 112   2.375 -10.960   1.493
  874    HA   THR 112           HA       THR 112   1.481 -13.612   0.909
  875    HB   THR 112           HB       THR 112   1.250 -12.829   3.171
  876    HG1  THR 112           1HG      THR 112  -0.660 -13.927   1.900
  877   1HG2  THR 112          1HG2      THR 112   0.878 -10.687   3.565
  878   2HG2  THR 112          2HG2      THR 112  -0.823 -11.023   3.241
  879   3HG2  THR 112          3HG2      THR 112   0.217 -10.424   1.951
  880    H    VAL 113           H        VAL 113   0.788 -13.774  -1.182
  881    HA   VAL 113           HA       VAL 113  -0.681 -11.848  -2.565
  882    HB   VAL 113           HB       VAL 113  -0.417 -14.817  -3.016
  883   1HG1  VAL 113          1HG1      VAL 113  -1.964 -14.762  -4.623
  884   2HG1  VAL 113          2HG1      VAL 113  -1.234 -13.326  -5.342
  885   3HG1  VAL 113          3HG1      VAL 113  -2.426 -13.157  -4.053
  886   1HG2  VAL 113          1HG2      VAL 113   1.442 -14.311  -4.132
  887   2HG2  VAL 113          2HG2      VAL 113   1.341 -12.719  -3.379
  888   3HG2  VAL 113          3HG2      VAL 113   0.660 -12.979  -4.985
  889    HA   PRO 114           HA       PRO 114  -4.701 -14.350  -1.371
  890   1HB   PRO 114          2HB       PRO 114  -3.672 -15.633   1.105
  891   2HB   PRO 114          1HB       PRO 114  -4.785 -16.269  -0.105
  892   1HG   PRO 114          2HG       PRO 114  -2.314 -17.186  -0.021
  893   2HG   PRO 114          1HG       PRO 114  -3.080 -16.828  -1.589
  894   1HD   PRO 114          2HD       PRO 114  -1.109 -15.181  -0.032
  895   2HD   PRO 114          1HD       PRO 114  -1.150 -15.555  -1.769
  896    H    HIS 115           H        HIS 115  -2.341 -12.716   0.279
  897    HA   HIS 115           HA       HIS 115  -2.225 -11.367   2.119
  898   1HB   HIS 115          2HB       HIS 115  -3.714  -9.330   1.627
  899   2HB   HIS 115          1HB       HIS 115  -2.554  -9.827   0.412
  900    HD1  HIS 115           1HD      HIS 115  -6.072 -11.187   0.949
  901    HD2  HIS 115           2HD      HIS 115  -3.808  -9.174  -1.893
  902    HE1  HIS 115           1HE      HIS 115  -7.541 -11.010  -1.079
  903    HE2  HIS 115           2HE      HIS 115  -6.171  -9.748  -2.770
  904    H    TYR 116           H        TYR 116  -2.719 -12.007   4.083
  905    HA   TYR 116           HA       TYR 116  -5.560 -12.105   4.831
  906   1HB   TYR 116          2HB       TYR 116  -4.509 -13.267   6.943
  907   2HB   TYR 116          1HB       TYR 116  -4.753 -14.177   5.459
  908    HD1  TYR 116           1HD      TYR 116  -3.008 -15.435   4.634
  909    HD2  TYR 116           2HD      TYR 116  -2.112 -12.145   7.177
  910    HE1  TYR 116           1HE      TYR 116  -0.636 -16.076   4.619
  911    HE2  TYR 116           2HE      TYR 116   0.262 -12.775   7.165
  912    HH   TYR 116           HH       TYR 116   1.436 -15.512   6.533
  913    H    ASP 117           H        ASP 117  -6.040 -10.088   5.299
  914    HA   ASP 117           HA       ASP 117  -5.905  -8.838   7.606
  915   1HB   ASP 117          2HB       ASP 117  -4.017  -7.293   7.666
  916   2HB   ASP 117          1HB       ASP 117  -3.419  -8.946   7.601
  917    H    MET 118           H        MET 118  -5.412  -8.466   4.168
  918    HA   MET 118           HA       MET 118  -6.104  -5.795   3.837
  919   1HB   MET 118          2HB       MET 118  -6.721  -6.365   1.534
  920   2HB   MET 118          1HB       MET 118  -5.217  -7.153   1.990
  921   1HG   MET 118          2HG       MET 118  -6.367  -8.788   0.833
  922   2HG   MET 118          1HG       MET 118  -6.695  -9.190   2.517
  923   1HE   MET 118          1HE       MET 118  -8.866 -10.435   0.175
  924   2HE   MET 118          2HE       MET 118 -10.031 -10.332   1.494
  925   3HE   MET 118          3HE       MET 118  -8.345 -10.722   1.835
  926    H    LYS 119           H        LYS 119  -8.194  -8.653   4.033
  927    HA   LYS 119           HA       LYS 119 -10.638  -7.324   3.605
  928   1HB   LYS 119          2HB       LYS 119 -11.692  -9.288   4.553
  929   2HB   LYS 119          1HB       LYS 119 -10.362  -9.784   3.514
  930   1HG   LYS 119          2HG       LYS 119  -8.953 -10.129   5.471
  931   2HG   LYS 119          1HG       LYS 119 -10.277  -9.615   6.518
  932   1HD   LYS 119          2HD       LYS 119 -11.640 -11.486   5.569
  933   2HD   LYS 119          1HD       LYS 119 -10.186 -12.042   4.735
  934   1HE   LYS 119          2HE       LYS 119  -9.044 -12.267   6.890
  935   2HE   LYS 119          1HE       LYS 119 -10.506 -11.720   7.713
  936   1HZ   LYS 119          1HZ       LYS 119 -10.820 -13.942   7.865
  937   2HZ   LYS 119          2HZ       LYS 119  -9.924 -14.296   6.475
  938   3HZ   LYS 119          3HZ       LYS 119 -11.510 -13.725   6.336
  939    H    ASN 120           H        ASN 120  -8.539  -7.597   6.303
  940    HA   ASN 120           HA       ASN 120 -10.498  -6.542   8.179
  941   1HB   ASN 120          2HB       ASN 120  -9.032  -8.338   8.950
  942   2HB   ASN 120          1HB       ASN 120  -7.610  -7.392   8.529
  943   1HD2  ASN 120          1HD2      ASN 120  -6.643  -6.652  10.236
  944   2HD2  ASN 120          2HD2      ASN 120  -7.399  -6.055  11.673
  945    H    ARG 121           H        ARG 121  -9.358  -5.041   5.821
  946    HA   ARG 121           HA       ARG 121  -9.007  -2.558   7.178
  947   1HB   ARG 121          2HB       ARG 121  -6.776  -2.021   6.311
  948   2HB   ARG 121          1HB       ARG 121  -6.744  -3.369   7.435
  949   1HG   ARG 121          2HG       ARG 121  -6.590  -4.928   5.569
  950   2HG   ARG 121          1HG       ARG 121  -6.637  -3.578   4.434
  951   1HD   ARG 121          2HD       ARG 121  -4.354  -4.300   4.763
  952   2HD   ARG 121          1HD       ARG 121  -4.580  -2.688   5.439
  953    HE   ARG 121           HE       ARG 121  -4.990  -4.581   7.467
  954   1HH1  ARG 121          1HH1      ARG 121  -2.426  -3.299   5.489
  955   2HH1  ARG 121          2HH1      ARG 121  -1.192  -3.598   6.668
  956   1HH2  ARG 121          1HH2      ARG 121  -3.371  -4.977   9.026
  957   2HH2  ARG 121          2HH2      ARG 121  -1.730  -4.551   8.676
  958    H    GLY 122           H        GLY 122 -10.687  -1.815   5.977
  959   1HA   GLY 122          2HA       GLY 122 -10.976  -2.082   3.177
  960   2HA   GLY 122          1HA       GLY 122 -11.739  -0.854   4.189
  961    H    PHE 123           H        PHE 123  -8.958  -0.073   5.138
  962    HA   PHE 123           HA       PHE 123  -8.637   2.027   3.255
  963   1HB   PHE 123          2HB       PHE 123  -6.728   2.710   4.691
  964   2HB   PHE 123          1HB       PHE 123  -8.252   2.509   5.537
  965    HD1  PHE 123           1HD      PHE 123  -5.212   0.530   4.668
  966    HD2  PHE 123           2HD      PHE 123  -8.183   1.438   7.576
  967    HE1  PHE 123           1HE      PHE 123  -4.113  -0.992   6.259
  968    HE2  PHE 123           2HE      PHE 123  -7.086  -0.074   9.175
  969    HZ   PHE 123           HZ       PHE 123  -4.988  -1.161   8.596
  970    H    MET 124           H        MET 124  -8.314  -0.549   2.180
  971    HA   MET 124           HA       MET 124  -6.015  -0.107   0.563
  972   1HB   MET 124          2HB       MET 124  -6.171  -2.585   2.300
  973   2HB   MET 124          1HB       MET 124  -5.152  -2.462   0.872
  974   1HG   MET 124          2HG       MET 124  -4.040  -0.496   1.948
  975   2HG   MET 124          1HG       MET 124  -4.944  -0.871   3.412
  976   1HE   MET 124          1HE       MET 124  -1.374  -2.041   4.406
  977   2HE   MET 124          2HE       MET 124  -2.692  -0.905   4.693
  978   3HE   MET 124          3HE       MET 124  -1.661  -0.718   3.275
  979    H    LEU 125           H        LEU 125  -8.878  -1.755   1.533
  980    HA   LEU 125           HA       LEU 125  -9.222  -3.175  -0.938
  981   1HB   LEU 125          2HB       LEU 125 -11.172  -2.825   1.324
  982   2HB   LEU 125          1HB       LEU 125 -11.234  -4.031   0.052
  983    HG   LEU 125           HG       LEU 125  -9.447  -3.907   2.445
  984   1HD1  LEU 125          1HD1      LEU 125 -11.661  -5.405   1.697
  985   2HD1  LEU 125          2HD1      LEU 125 -10.585  -5.694   3.064
  986   3HD1  LEU 125          3HD1      LEU 125 -10.286  -6.496   1.522
  987   1HD2  LEU 125          1HD2      LEU 125  -7.977  -4.100   0.434
  988   2HD2  LEU 125          2HD2      LEU 125  -8.829  -5.588   0.026
  989   3HD2  LEU 125          3HD2      LEU 125  -7.912  -5.483   1.527
  990    H    TRP 126           H        TRP 126 -10.720  -0.311   0.626
  991    HA   TRP 126           HA       TRP 126 -12.643   0.088  -1.427
  992   1HB   TRP 126          2HB       TRP 126 -11.391   2.301   0.228
  993   2HB   TRP 126          1HB       TRP 126 -12.942   2.347  -0.608
  994    HD1  TRP 126           HD       TRP 126 -11.407   1.748   2.604
  995    HE1  TRP 126           1HE      TRP 126 -13.143   0.825   4.299
  996    HE3  TRP 126           3HE      TRP 126 -15.127   0.602  -0.655
  997    HZ2  TRP 126           2HZ      TRP 126 -15.767  -0.240   4.214
  998    HZ3  TRP 126           3HZ      TRP 126 -17.226  -0.353   0.213
  999    HH2  TRP 126           HH       TRP 126 -17.535  -0.765   2.596
 1000    HA   PRO 127           HA       PRO 127  -9.310   3.309  -3.065
 1001   1HB   PRO 127          2HB       PRO 127  -6.738   2.381  -2.528
 1002   2HB   PRO 127          1HB       PRO 127  -7.551   3.705  -1.686
 1003   1HG   PRO 127          2HG       PRO 127  -7.341   0.823  -0.908
 1004   2HG   PRO 127          1HG       PRO 127  -7.167   2.274   0.100
 1005   1HD   PRO 127          2HD       PRO 127  -9.430   0.907   0.165
 1006   2HD   PRO 127          1HD       PRO 127  -9.470   2.684   0.109
 1007    H    LEU 128           H        LEU 128  -8.088  -0.017  -2.714
 1008    HA   LEU 128           HA       LEU 128  -7.258  -0.190  -5.449
 1009   1HB   LEU 128          2HB       LEU 128  -6.346  -1.447  -3.384
 1010   2HB   LEU 128          1HB       LEU 128  -7.701  -2.535  -3.610
 1011    HG   LEU 128           HG       LEU 128  -5.651  -3.436  -4.597
 1012   1HD1  LEU 128          1HD1      LEU 128  -6.766  -4.416  -6.234
 1013   2HD1  LEU 128          2HD1      LEU 128  -7.016  -2.895  -7.092
 1014   3HD1  LEU 128          3HD1      LEU 128  -8.110  -3.365  -5.791
 1015   1HD2  LEU 128          1HD2      LEU 128  -5.328  -0.764  -5.504
 1016   2HD2  LEU 128          2HD2      LEU 128  -5.364  -1.835  -6.905
 1017   3HD2  LEU 128          3HD2      LEU 128  -4.197  -2.113  -5.612
 1018    H    PHE 129           H        PHE 129 -10.188  -1.135  -3.666
 1019    HA   PHE 129           HA       PHE 129 -11.257  -2.967  -5.405
 1020   1HB   PHE 129          2HB       PHE 129 -12.391  -2.308  -3.329
 1021   2HB   PHE 129          1HB       PHE 129 -12.841  -0.785  -4.072
 1022    HD1  PHE 129           1HD      PHE 129 -14.581  -0.677  -5.741
 1023    HD2  PHE 129           2HD      PHE 129 -13.426  -4.403  -4.009
 1024    HE1  PHE 129           1HE      PHE 129 -16.592  -1.733  -6.684
 1025    HE2  PHE 129           2HE      PHE 129 -15.430  -5.462  -4.973
 1026    HZ   PHE 129           HZ       PHE 129 -17.015  -4.129  -6.305
 1027    H    GLU 130           H        GLU 130 -11.133   0.543  -5.709
 1028    HA   GLU 130           HA       GLU 130 -12.622   0.635  -8.154
 1029   1HB   GLU 130          2HB       GLU 130 -10.954   2.603  -6.632
 1030   2HB   GLU 130          1HB       GLU 130 -11.380   2.950  -8.301
 1031   1HG   GLU 130          2HG       GLU 130 -12.966   4.012  -6.872
 1032   2HG   GLU 130          1HG       GLU 130 -13.766   2.679  -7.700
 1033    H    ILE 131           H        ILE 131  -9.173   0.642  -7.288
 1034    HA   ILE 131           HA       ILE 131  -8.015   1.003  -9.774
 1035    HB   ILE 131           HB       ILE 131  -7.131  -0.895  -7.591
 1036   1HG1  ILE 131          2HG1      ILE 131  -7.333   1.407  -6.802
 1037   2HG1  ILE 131          1HG1      ILE 131  -5.639   0.941  -6.909
 1038   1HG2  ILE 131          1HG2      ILE 131  -6.139  -1.255  -9.893
 1039   2HG2  ILE 131          2HG2      ILE 131  -4.999  -0.981  -8.576
 1040   3HG2  ILE 131          3HG2      ILE 131  -5.377   0.324  -9.702
 1041   1HD1  ILE 131          1HD1      ILE 131  -5.185   2.533  -8.402
 1042   2HD1  ILE 131          2HD1      ILE 131  -6.720   3.240  -7.899
 1043   3HD1  ILE 131          3HD1      ILE 131  -6.649   2.212  -9.330
 1044    H    ALA 132           H        ALA 132  -9.114  -1.995  -8.278
 1045    HA   ALA 132           HA       ALA 132  -9.863  -3.156 -10.782
 1046   1HB   ALA 132          1HB       ALA 132  -7.527  -3.672 -10.932
 1047   2HB   ALA 132          2HB       ALA 132  -8.388  -5.156 -10.525
 1048   3HB   ALA 132          3HB       ALA 132  -7.504  -4.279  -9.277
 1049    HA   PRO 133           HA       PRO 133 -12.457  -4.607  -7.339
 1050   1HB   PRO 133          2HB       PRO 133 -14.539  -4.923  -9.330
 1051   2HB   PRO 133          1HB       PRO 133 -14.462  -3.787  -7.985
 1052   1HG   PRO 133          2HG       PRO 133 -14.292  -3.036 -10.603
 1053   2HG   PRO 133          1HG       PRO 133 -13.556  -2.127  -9.272
 1054   1HD   PRO 133          2HD       PRO 133 -12.287  -4.034 -11.197
 1055   2HD   PRO 133          1HD       PRO 133 -11.664  -2.502 -10.554
 1056    H    GLU 134           H        GLU 134 -10.630  -6.371  -8.576
 1057    HA   GLU 134           HA       GLU 134 -12.055  -8.841  -8.311
 1058   1HB   GLU 134          2HB       GLU 134 -10.986  -8.013 -11.009
 1059   2HB   GLU 134          1HB       GLU 134 -11.209  -9.699 -10.572
 1060   1HG   GLU 134          2HG       GLU 134 -13.595  -9.290 -10.229
 1061   2HG   GLU 134          1HG       GLU 134 -13.365  -7.601 -10.680
 1062    H    LEU 135           H        LEU 135  -9.591  -7.239  -7.334
 1063    HA   LEU 135           HA       LEU 135  -7.638  -9.364  -7.885
 1064   1HB   LEU 135          2HB       LEU 135  -7.261  -6.466  -7.268
 1065   2HB   LEU 135          1HB       LEU 135  -5.954  -7.623  -7.064
 1066    HG   LEU 135           HG       LEU 135  -7.436  -7.046  -9.621
 1067   1HD1  LEU 135          1HD1      LEU 135  -5.783  -5.332  -8.853
 1068   2HD1  LEU 135          2HD1      LEU 135  -5.400  -6.077 -10.405
 1069   3HD1  LEU 135          3HD1      LEU 135  -4.539  -6.578  -8.951
 1070   1HD2  LEU 135          1HD2      LEU 135  -6.158  -8.691 -10.689
 1071   2HD2  LEU 135          2HD2      LEU 135  -6.704  -9.456  -9.194
 1072   3HD2  LEU 135          3HD2      LEU 135  -5.053  -8.845  -9.324
 1073    H    VAL 136           H        VAL 136  -8.884 -10.525  -6.269
 1074    HA   VAL 136           HA       VAL 136  -7.416 -10.503  -3.787
 1075    HB   VAL 136           HB       VAL 136 -10.390 -10.040  -3.861
 1076   1HG1  VAL 136          1HG1      VAL 136 -10.148 -12.043  -2.517
 1077   2HG1  VAL 136          2HG1      VAL 136 -10.485 -10.665  -1.470
 1078   3HG1  VAL 136          3HG1      VAL 136  -8.843 -11.297  -1.594
 1079   1HG2  VAL 136          1HG2      VAL 136  -9.262  -8.051  -3.508
 1080   2HG2  VAL 136          2HG2      VAL 136  -8.020  -8.817  -2.517
 1081   3HG2  VAL 136          3HG2      VAL 136  -9.644  -8.582  -1.871
 1082    H    PHE 137           H        PHE 137  -8.938 -11.917  -6.354
 1083    HA   PHE 137           HA       PHE 137 -10.017 -14.246  -5.917
 1084   1HB   PHE 137          2HB       PHE 137  -7.754 -13.618  -7.758
 1085   2HB   PHE 137          1HB       PHE 137  -8.409 -15.248  -7.688
 1086    HD1  PHE 137           1HD      PHE 137  -9.520 -15.541  -9.692
 1087    HD2  PHE 137           2HD      PHE 137 -10.175 -11.981  -7.454
 1088    HE1  PHE 137           1HE      PHE 137 -11.316 -14.899 -11.245
 1089    HE2  PHE 137           2HE      PHE 137 -11.974 -11.332  -9.004
 1090    HZ   PHE 137           HZ       PHE 137 -12.547 -12.793 -10.902
 1091    HA   PRO 138           HA       PRO 138  -5.628 -16.426  -4.694
 1092   1HB   PRO 138          2HB       PRO 138  -4.664 -14.498  -2.809
 1093   2HB   PRO 138          1HB       PRO 138  -3.861 -15.064  -4.273
 1094   1HG   PRO 138          2HG       PRO 138  -5.494 -12.627  -3.827
 1095   2HG   PRO 138          1HG       PRO 138  -4.155 -12.897  -4.956
 1096   1HD   PRO 138          2HD       PRO 138  -6.661 -12.761  -5.844
 1097   2HD   PRO 138          1HD       PRO 138  -5.526 -13.960  -6.512
 1098    H    ASP 139           H        ASP 139  -7.017 -13.966  -2.567
 1099    HA   ASP 139           HA       ASP 139  -7.456 -15.760  -0.386
 1100   1HB   ASP 139          2HB       ASP 139  -7.060 -13.339  -0.049
 1101   2HB   ASP 139          1HB       ASP 139  -8.576 -12.987  -0.869
 1102    H    GLY 140           H        GLY 140  -9.607 -14.139  -2.774
 1103   1HA   GLY 140          2HA       GLY 140 -11.288 -16.378  -2.985
 1104   2HA   GLY 140          1HA       GLY 140 -11.999 -15.267  -1.835
 1105    H    GLU 141           H        GLU 141 -11.512 -12.787  -3.103
 1106    HA   GLU 141           HA       GLU 141 -12.325 -12.947  -5.849
 1107   1HB   GLU 141          2HB       GLU 141 -14.519 -11.689  -5.349
 1108   2HB   GLU 141          1HB       GLU 141 -14.475 -13.437  -5.164
 1109   1HG   GLU 141          2HG       GLU 141 -14.097 -13.068  -2.708
 1110   2HG   GLU 141          1HG       GLU 141 -14.378 -11.355  -2.994
 1111    H    MET 142           H        MET 142 -13.697 -10.409  -3.914
 1112    HA   MET 142           HA       MET 142 -11.741  -8.559  -5.038
 1113   1HB   MET 142          2HB       MET 142 -14.594  -8.114  -4.165
 1114   2HB   MET 142          1HB       MET 142 -13.504  -6.830  -4.679
 1115   1HG   MET 142          2HG       MET 142 -13.316  -7.804  -6.866
 1116   2HG   MET 142          1HG       MET 142 -14.274  -9.177  -6.349
 1117   1HE   MET 142          1HE       MET 142 -17.366  -8.907  -6.717
 1118   2HE   MET 142          2HE       MET 142 -17.627  -7.668  -5.491
 1119   3HE   MET 142          3HE       MET 142 -16.428  -8.932  -5.224
 1120    H    LEU 143           H        LEU 143 -11.708  -6.500  -3.708
 1121    HA   LEU 143           HA       LEU 143 -10.676  -7.203  -1.107
 1122   1HB   LEU 143          2HB       LEU 143 -11.023  -4.424  -2.166
 1123   2HB   LEU 143          1HB       LEU 143  -9.815  -5.028  -1.057
 1124    HG   LEU 143           HG       LEU 143  -9.766  -6.180  -3.746
 1125   1HD1  LEU 143          1HD1      LEU 143  -9.802  -3.337  -3.326
 1126   2HD1  LEU 143          2HD1      LEU 143  -9.820  -4.256  -4.830
 1127   3HD1  LEU 143          3HD1      LEU 143  -8.287  -3.875  -4.049
 1128   1HD2  LEU 143          1HD2      LEU 143  -7.450  -4.928  -2.363
 1129   2HD2  LEU 143          2HD2      LEU 143  -7.514  -6.391  -3.345
 1130   3HD2  LEU 143          3HD2      LEU 143  -8.128  -6.411  -1.692
 1131    H    ARG 144           H        ARG 144 -12.706  -4.657  -2.254
 1132    HA   ARG 144           HA       ARG 144 -13.719  -3.781   0.074
 1133   1HB   ARG 144          2HB       ARG 144 -13.868  -2.467  -1.857
 1134   2HB   ARG 144          1HB       ARG 144 -14.898  -3.650  -2.623
 1135   1HG   ARG 144          2HG       ARG 144 -16.641  -3.205  -0.950
 1136   2HG   ARG 144          1HG       ARG 144 -15.608  -1.938  -0.288
 1137   1HD   ARG 144          2HD       ARG 144 -15.681  -0.730  -2.383
 1138   2HD   ARG 144          1HD       ARG 144 -16.602  -2.032  -3.133
 1139    HE   ARG 144           HE       ARG 144 -18.017  -1.129  -0.898
 1140   1HH1  ARG 144          1HH1      ARG 144 -17.030   0.001  -4.042
 1141   2HH1  ARG 144          2HH1      ARG 144 -18.381   1.069  -4.224
 1142   1HH2  ARG 144          1HH2      ARG 144 -19.807   0.266  -1.135
 1143   2HH2  ARG 144          2HH2      ARG 144 -19.960   1.218  -2.573
 1144    H    GLN 145           H        GLN 145 -15.741  -5.762  -2.119
 1145    HA   GLN 145           HA       GLN 145 -17.928  -5.883  -0.532
 1146   1HB   GLN 145          2HB       GLN 145 -18.219  -8.317  -1.453
 1147   2HB   GLN 145          1HB       GLN 145 -18.294  -6.923  -2.523
 1148   1HG   GLN 145          2HG       GLN 145 -16.971  -8.820  -3.408
 1149   2HG   GLN 145          1HG       GLN 145 -16.076  -7.303  -3.294
 1150   1HE2  GLN 145          1HE2      GLN 145 -14.437  -7.102  -1.901
 1151   2HE2  GLN 145          2HE2      GLN 145 -13.793  -8.398  -0.972
 1152    H    ILE 146           H        ILE 146 -14.950  -7.706   0.039
 1153    HA   ILE 146           HA       ILE 146 -16.016  -9.363   2.103
 1154    HB   ILE 146           HB       ILE 146 -13.167  -8.398   1.866
 1155   1HG1  ILE 146          2HG1      ILE 146 -14.209 -10.996   0.756
 1156   2HG1  ILE 146          1HG1      ILE 146 -14.085  -9.537  -0.225
 1157   1HG2  ILE 146          1HG2      ILE 146 -13.674  -9.401   3.997
 1158   2HG2  ILE 146          2HG2      ILE 146 -12.661 -10.499   3.060
 1159   3HG2  ILE 146          3HG2      ILE 146 -14.391 -10.805   3.204
 1160   1HD1  ILE 146          1HD1      ILE 146 -11.906 -11.156   1.020
 1161   2HD1  ILE 146          2HD1      ILE 146 -11.648  -9.462   0.582
 1162   3HD1  ILE 146          3HD1      ILE 146 -12.098 -10.640  -0.658
 1163    H    LEU 147           H        LEU 147 -14.196  -6.317   2.062
 1164    HA   LEU 147           HA       LEU 147 -14.418  -6.068   4.948
 1165   1HB   LEU 147          2HB       LEU 147 -12.617  -4.763   4.767
 1166   2HB   LEU 147          1HB       LEU 147 -12.539  -5.419   3.148
 1167    HG   LEU 147           HG       LEU 147 -12.120  -3.136   2.946
 1168   1HD1  LEU 147          1HD1      LEU 147 -14.875  -2.767   2.188
 1169   2HD1  LEU 147          2HD1      LEU 147 -14.143  -4.262   1.600
 1170   3HD1  LEU 147          3HD1      LEU 147 -13.390  -2.712   1.231
 1171   1HD2  LEU 147          1HD2      LEU 147 -14.670  -2.373   4.305
 1172   2HD2  LEU 147          2HD2      LEU 147 -13.263  -1.376   3.946
 1173   3HD2  LEU 147          3HD2      LEU 147 -13.176  -2.596   5.216
 1174    H    HIS 148           H        HIS 148 -16.271  -5.228   2.344
 1175    HA   HIS 148           HA       HIS 148 -17.363  -2.770   3.306
 1176   1HB   HIS 148          2HB       HIS 148 -17.318  -3.278   0.923
 1177   2HB   HIS 148          1HB       HIS 148 -18.278  -4.732   1.173
 1178    HD1  HIS 148           1HD      HIS 148 -19.780  -3.430  -0.705
 1179    HD2  HIS 148           2HD      HIS 148 -19.775  -1.821   3.126
 1180    HE1  HIS 148           1HE      HIS 148 -21.770  -1.896  -0.618
 1181    HE2  HIS 148           2HE      HIS 148 -21.787  -0.987   1.731
 1182    H    THR 149           H        THR 149 -17.849  -6.149   3.655
 1183    HA   THR 149           HA       THR 149 -20.372  -5.752   5.083
 1184    HB   THR 149           HB       THR 149 -20.686  -8.126   4.886
 1185    HG1  THR 149           1HG      THR 149 -18.440  -8.662   5.233
 1186   1HG2  THR 149          1HG2      THR 149 -20.967  -6.689   2.787
 1187   2HG2  THR 149          2HG2      THR 149 -20.864  -8.437   2.588
 1188   3HG2  THR 149          3HG2      THR 149 -19.458  -7.428   2.247
 1189    H    ARG 150           H        ARG 150 -17.000  -6.665   5.612
 1190    HA   ARG 150           HA       ARG 150 -17.706  -7.186   8.417
 1191   1HB   ARG 150          2HB       ARG 150 -16.033  -8.780   8.599
 1192   2HB   ARG 150          1HB       ARG 150 -16.723  -9.056   7.008
 1193   1HG   ARG 150          2HG       ARG 150 -14.860  -7.922   5.962
 1194   2HG   ARG 150          1HG       ARG 150 -14.180  -7.540   7.547
 1195   1HD   ARG 150          2HD       ARG 150 -14.633 -10.307   6.435
 1196   2HD   ARG 150          1HD       ARG 150 -13.079  -9.480   6.534
 1197    HE   ARG 150           HE       ARG 150 -14.112  -9.507   9.098
 1198   1HH1  ARG 150          1HH1      ARG 150 -13.179 -11.862   6.707
 1199   2HH1  ARG 150          2HH1      ARG 150 -12.694 -13.045   7.873
 1200   1HH2  ARG 150          1HH2      ARG 150 -13.476 -11.060  10.642
 1201   2HH2  ARG 150          2HH2      ARG 150 -12.864 -12.591  10.110
 1202    H    ALA 151           H        ALA 151 -15.884  -4.870   6.543
 1203    HA   ALA 151           HA       ALA 151 -14.439  -4.222   9.025
 1204   1HB   ALA 151          1HB       ALA 151 -12.565  -4.117   7.853
 1205   2HB   ALA 151          2HB       ALA 151 -13.271  -2.896   6.795
 1206   3HB   ALA 151          3HB       ALA 151 -13.449  -4.607   6.408
 1207    H    PHE 152           H        PHE 152 -14.642  -2.125   6.238
 1208    HA   PHE 152           HA       PHE 152 -16.027  -0.184   7.927
 1209   1HB   PHE 152          2HB       PHE 152 -14.300   0.101   5.478
 1210   2HB   PHE 152          1HB       PHE 152 -15.192   1.424   6.195
 1211    HD1  PHE 152           1HD      PHE 152 -14.122   2.758   7.755
 1212    HD2  PHE 152           2HD      PHE 152 -12.775  -1.233   7.152
 1213    HE1  PHE 152           1HE      PHE 152 -12.254   3.159   9.304
 1214    HE2  PHE 152           2HE      PHE 152 -10.906  -0.840   8.702
 1215    HZ   PHE 152           HZ       PHE 152 -10.664   1.355   9.808
 1216    H    ASP 153           H        ASP 153 -16.801   1.527   5.770
 1217    HA   ASP 153           HA       ASP 153 -18.738  -0.063   4.267
 1218   1HB   ASP 153          2HB       ASP 153 -19.904   0.610   6.317
 1219   2HB   ASP 153          1HB       ASP 153 -19.498   2.295   6.008
 1220    H    LYS 154           H        LYS 154 -16.512   2.435   4.394
 1221    HA   LYS 154           HA       LYS 154 -16.006   3.141   1.977
 1222   1HB   LYS 154          2HB       LYS 154 -18.504   3.319   1.524
 1223   2HB   LYS 154          1HB       LYS 154 -18.490   4.792   2.478
 1224   1HG   LYS 154          2HG       LYS 154 -16.654   4.485   0.139
 1225   2HG   LYS 154          1HG       LYS 154 -18.344   4.930  -0.096
 1226   1HD   LYS 154          2HD       LYS 154 -18.024   6.846   1.414
 1227   2HD   LYS 154          1HD       LYS 154 -16.325   6.407   1.584
 1228   1HE   LYS 154          2HE       LYS 154 -15.997   6.729  -0.815
 1229   2HE   LYS 154          1HE       LYS 154 -17.700   7.151  -0.994
 1230   1HZ   LYS 154          1HZ       LYS 154 -17.184   9.237  -0.521
 1231   2HZ   LYS 154          2HZ       LYS 154 -15.556   8.825  -0.325
 1232   3HZ   LYS 154          3HZ       LYS 154 -16.605   8.776   1.001
 1233    H    LEU 155           H        LEU 155 -14.201   3.995   2.906
 1234    HA   LEU 155           HA       LEU 155 -14.165   5.880   5.004
 1235   1HB   LEU 155          2HB       LEU 155 -12.111   5.096   2.950
 1236   2HB   LEU 155          1HB       LEU 155 -11.780   6.268   4.213
 1237    HG   LEU 155           HG       LEU 155 -12.574   3.380   4.694
 1238   1HD1  LEU 155          1HD1      LEU 155  -9.982   4.738   4.319
 1239   2HD1  LEU 155          2HD1      LEU 155 -10.431   3.050   4.075
 1240   3HD1  LEU 155          3HD1      LEU 155 -10.090   3.645   5.699
 1241   1HD2  LEU 155          1HD2      LEU 155 -12.482   5.726   6.390
 1242   2HD2  LEU 155          2HD2      LEU 155 -11.383   4.469   6.958
 1243   3HD2  LEU 155          3HD2      LEU 155 -13.095   4.108   6.733
 1244    H    ASN 156           H        ASN 156 -12.296   7.847   3.972
 1245    HA   ASN 156           HA       ASN 156 -14.153   9.416   2.307
 1246   1HB   ASN 156          2HB       ASN 156 -12.255  10.342   4.477
 1247   2HB   ASN 156          1HB       ASN 156 -13.115  11.429   3.393
 1248   1HD2  ASN 156          1HD2      ASN 156 -15.219   9.007   3.772
 1249   2HD2  ASN 156          2HD2      ASN 156 -16.095   9.566   5.149
 1250    H    LYS 157           H        LYS 157 -13.369   9.425   0.288
 1251    HA   LYS 157           HA       LYS 157 -10.700   8.931  -0.394
 1252   1HB   LYS 157          2HB       LYS 157 -12.773   8.814  -1.891
 1253   2HB   LYS 157          1HB       LYS 157 -12.583  10.547  -2.104
 1254   1HG   LYS 157          2HG       LYS 157 -11.589   9.285  -3.941
 1255   2HG   LYS 157          1HG       LYS 157 -10.380  10.217  -3.057
 1256   1HD   LYS 157          2HD       LYS 157  -9.555   7.977  -3.573
 1257   2HD   LYS 157          1HD       LYS 157  -9.719   8.205  -1.832
 1258   1HE   LYS 157          2HE       LYS 157 -10.533   6.009  -2.479
 1259   2HE   LYS 157          1HE       LYS 157 -11.861   7.007  -1.888
 1260   1HZ   LYS 157          1HZ       LYS 157 -12.096   7.552  -4.422
 1261   2HZ   LYS 157          2HZ       LYS 157 -12.783   6.149  -3.771
 1262   3HZ   LYS 157          3HZ       LYS 157 -11.315   6.063  -4.608
 1263    H    TRP 158           H        TRP 158  -9.455  10.194   0.932
 1264    HA   TRP 158           HA       TRP 158  -8.267  11.971   1.628
 1265   1HB   TRP 158          2HB       TRP 158  -7.572  11.767  -0.785
 1266   2HB   TRP 158          1HB       TRP 158  -8.752  13.011  -1.174
 1267    HD1  TRP 158           HD       TRP 158  -6.120  12.958   1.684
 1268    HE1  TRP 158           1HE      TRP 158  -4.709  15.101   1.493
 1269    HE3  TRP 158           3HE      TRP 158  -8.200  14.925  -2.553
 1270    HZ2  TRP 158           2HZ      TRP 158  -4.504  17.332  -0.226
 1271    HZ3  TRP 158           3HZ      TRP 158  -7.340  17.067  -3.403
 1272    HH2  TRP 158           HH       TRP 158  -5.531  18.246  -2.263